*HEADER    COMPLEX (SH3/PEPTIDE)                   03-SEP-02   1H3H
*TITLE     STRUCTURAL BASIS FOR SPECIFIC RECOGNITION OF AN
*TITLE    2 RXXK-CONTAINING SLP-76 PEPTIDE BY THE GADS C-TERMINAL SH3
*TITLE    3 DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: GRB2-RELATED ADAPTOR PROTEIN 2;
*COMPND   3 SYNONYM: GADS PROTEIN, GRBLG, GRB2L;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: C-TERMINAL SH3 DOMAIN, RESIDUES 263-322;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 MOL_ID: 2;
*COMPND   8 MOLECULE: LYMPHOCYTE CYTOSOLIC PROTEIN 2;
*COMPND   9 SYNONYM: SLP-76;
*COMPND  10 CHAIN: B;
*COMPND  11 FRAGMENT: RESIDUES 226-235
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE   3 ORGANISM_COMMON: MOUSE;
*SOURCE   4 CELL: T-LYMPHOCYTE;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2TK;
*SOURCE   9 MOL_ID: 2;
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE  11 ORGANISM_COMMON: HUMAN;
*SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE  13 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE  14 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE  15 EXPRESSION_SYSTEM_PLASMID: PAED4
*KEYWDS    T-CELL SIGNALING, SH3 DOMAIN, SH2 DOMAIN
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    Q.LIU,D.BERRY,P.NASH,T.PAWSON,C.J.MCGLADE,S.S.LI
*REVDAT   1   06-MAR-03 1H3H    0




 ASSI {    6}
   (( segid "SH3 " and resid 53   and name HA  ))
   (( segid "SH3 " and resid 53   and name HE1 ))
      3.600     1.700     1.700 peak     6 weight  0.10000E+01 volume  0.14383E-02 ppm1      4.578 ppm2      9.604 CV     1
 OR {    6}
   (( segid "SLP " and resid 83   and name HB  ))
   (( segid "SH3 " and resid 53   and name HE1 ))
 ASSI {   27}
   (( segid "SH3 " and resid 54   and name HB1 ))
   (( segid "SH3 " and resid 54   and name HE1 ))
      4.000     2.000     2.000 peak    27 weight  0.10000E+01 volume  0.11275E-02 ppm1      1.814 ppm2      9.016 CV     1
 OR {   27}
   (( segid "SH3 " and resid 51   and name HB1 ))
   (( segid "SH3 " and resid 54   and name HE1 ))
 ASSI {   42}
   (( segid "SH3 " and resid 22   and name HN  ))
   (( segid "SH3 " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak    42 weight  0.10000E+01 volume  0.23654E-02 ppm1      8.558 ppm2      8.925 CV     1
 OR {   42}
   (( segid "SH3 " and resid 40   and name HN  ))
   (( segid "SH3 " and resid 23   and name HN  ))
 ASSI {   83}
   (( segid "SH3 " and resid 65   and name HZ  ))
   (( segid "SH3 " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak    83 weight  0.10000E+01 volume  0.10092E-02 ppm1      7.045 ppm2      7.281 CV     1
 OR {   83}
   (  segid "SH3 " and resid 69   and name HD% )
   (( segid "SH3 " and resid 67   and name HN  ))
 ASSI {  112}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak   112 weight  0.10000E+01 volume  0.64616E-02 ppm1      1.353 ppm2      8.647 CV     1
 OR {  112}
   (( segid "SH3 " and resid 57   and name HB2 ))
   (( segid "SH3 " and resid 58   and name HN  ))
 ASSI {  141}
   (( segid "SH3 " and resid 22   and name HB2 ))
   (( segid "SH3 " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak   141 weight  0.10000E+01 volume  0.16766E-02 ppm1      1.527 ppm2      8.961 CV     1
 OR {  141}
   (( segid "SH3 " and resid 64   and name HB1 ))
   (( segid "SH3 " and resid 35   and name HN  ))
 ASSI {  151}
   (( segid "SH3 " and resid 44   and name HG1 ))
   (( segid "SH3 " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   151 weight  0.10000E+01 volume  0.17825E-02 ppm1      0.931 ppm2      7.811 CV     1
 OR {  151}
   (  segid "SH3 " and resid 21   and name HB% )
   (( segid "SH3 " and resid 44   and name HN  ))
 ASSI {  196}
   (( segid "SH3 " and resid 53   and name HB2 ))
   (( segid "SH3 " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   196 weight  0.10000E+01 volume  0.32562E-02 ppm1      2.667 ppm2      8.288 CV     1
 OR {  196}
   (( segid "SH3 " and resid 50   and name HB1 ))
   (( segid "SH3 " and resid 53   and name HN  ))
 ASSI {  234}
   (( segid "SH3 " and resid 22   and name HN  ))
   (( segid "SH3 " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   234 weight  0.10000E+01 volume  0.13372E-02 ppm1      8.549 ppm2      9.073 CV     1
 OR {  234}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 21   and name HN  ))
 ASSI {  236}
   (( segid "SH3 " and resid 44   and name HA  ))
   (( segid "SH3 " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak   236 weight  0.10000E+01 volume  0.18617E-02 ppm1      3.886 ppm2      9.073 CV     1
 OR {  236}
   (( segid "SH3 " and resid 43   and name HA  ))
   (( segid "SH3 " and resid 21   and name HN  ))
 ASSI {  256}
   (( segid "SH3 " and resid 73   and name HB1 ))
   (( segid "SH3 " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak   256 weight  0.10000E+01 volume  0.66234E-02 ppm1      1.972 ppm2      8.553 CV     1
 OR {  256}
   (( segid "SH3 " and resid 73   and name HB1 ))
   (( segid "SH3 " and resid 74   and name HN  ))
 OR {  256}
   (( segid "SH3 " and resid 74   and name HG2 ))
   (( segid "SH3 " and resid 74   and name HN  ))
 OR {  256}
   (( segid "SH3 " and resid 72   and name HG1 ))
   (( segid "SH3 " and resid 73   and name HN  ))
 ASSI {  259}
   (( segid "SH3 " and resid 72   and name HA  ))
   (( segid "SH3 " and resid 73   and name HN  ))
      2.200     0.600     0.600 peak   259 weight  0.10000E+01 volume  0.97076E-02 ppm1      4.366 ppm2      8.546 CV     1
 OR {  259}
   (( segid "SH3 " and resid 72   and name HA  ))
   (( segid "SH3 " and resid 22   and name HN  ))
 ASSI {  280}
   (  segid "SH3 " and resid 27   and name HE% )
   (( segid "SH3 " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   280 weight  0.10000E+01 volume  0.26757E-02 ppm1      6.596 ppm2      8.708 CV     1
 OR {  280}
   (  segid "SH3 " and resid 37   and name HD% )
   (( segid "SH3 " and resid 27   and name HN  ))
 ASSI {  289}
   (  segid "SH3 " and resid 18   and name HG1%)
   (( segid "SH3 " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   289 weight  0.10000E+01 volume  0.20872E-02 ppm1      0.745 ppm2      8.547 CV     1
 OR {  289}
   (  segid "SH3 " and resid 42   and name HG2%)
   (( segid "SH3 " and resid 22   and name HN  ))
 OR {  289}
   (  segid "SH3 " and resid 42   and name HG2%)
   (( segid "SH3 " and resid 73   and name HN  ))
 ASSI {  294}
   (( segid "SH3 " and resid 22   and name HG2 ))
   (( segid "SH3 " and resid 22   and name HN  ))
      3.300     1.400     1.400 peak   294 weight  0.10000E+01 volume  0.30906E-02 ppm1      1.182 ppm2      8.551 CV     1
 OR {  294}
   (  segid "SH3 " and resid 71   and name HB% )
   (( segid "SH3 " and resid 22   and name HN  ))
 ASSI {  302}
   (( segid "SH3 " and resid 48   and name HB1 ))
   (( segid "SH3 " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak   302 weight  0.10000E+01 volume  0.17715E-02 ppm1      2.578 ppm2      8.491 CV     1
 OR {  302}
   (( segid "SH3 " and resid 47   and name HB1 ))
   (( segid "SH3 " and resid 48   and name HN  ))
 ASSI {  304}
   (( segid "SH3 " and resid 43   and name HN  ))
   (( segid "SH3 " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak   304 weight  0.10000E+01 volume  0.11485E-02 ppm1      8.942 ppm2      8.183 CV     1
 OR {  304}
   (( segid "SH3 " and resid 23   and name HN  ))
   (( segid "SH3 " and resid 42   and name HN  ))
 ASSI {  309}
   (( segid "SH3 " and resid 42   and name HB  ))
   (( segid "SH3 " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   309 weight  0.10000E+01 volume  0.10734E-01 ppm1      1.711 ppm2      8.184 CV     1
 OR {  309}
   (( segid "SH3 " and resid 41   and name HB2 ))
   (( segid "SH3 " and resid 42   and name HN  ))
 ASSI {  316}
   (( segid "SH3 " and resid 57   and name HB2 ))
   (( segid "SH3 " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak   316 weight  0.10000E+01 volume  0.47641E-02 ppm1      1.363 ppm2      7.793 CV     1
 OR {  316}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 61   and name HN  ))
 ASSI {  317}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak   317 weight  0.10000E+01 volume  0.14240E-02 ppm1      0.649 ppm2      7.795 CV     1
 OR {  317}
   (  segid "SH3 " and resid 58   and name HD2%)
   (( segid "SH3 " and resid 61   and name HN  ))
 ASSI {  357}
   (( segid "SH3 " and resid 22   and name HB2 ))
   (( segid "SH3 " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   357 weight  0.10000E+01 volume  0.18602E-02 ppm1      1.540 ppm2      7.789 CV     1
 OR {  357}
   (( segid "SH3 " and resid 38   and name HB1 ))
   (( segid "SH3 " and resid 41   and name HN  ))
 ASSI {  369}
   (( segid "SH3 " and resid 33   and name HB2 ))
   (( segid "SH3 " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak   369 weight  0.10000E+01 volume  0.40495E-02 ppm1      2.384 ppm2      7.438 CV     1
 OR {  369}
   (( segid "SH3 " and resid 34   and name HG2 ))
   (( segid "SH3 " and resid 34   and name HN  ))
 ASSI {  395}
   (  segid "SH3 " and resid 18   and name HG1%)
   (( segid "SH3 " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   395 weight  0.10000E+01 volume  0.24327E-02 ppm1      0.751 ppm2      7.960 CV     1
 OR {  395}
   (  segid "SH3 " and resid 45   and name HG1%)
   (( segid "SH3 " and resid 20   and name HN  ))
 ASSI {  398}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   398 weight  0.10000E+01 volume  0.27501E-02 ppm1      3.716 ppm2      7.956 CV     1
 OR {  398}
   (( segid "SH3 " and resid 72   and name HD1 ))
   (( segid "SH3 " and resid 20   and name HN  ))
 ASSI {  401}
   (( segid "SH3 " and resid 19   and name HA  ))
   (( segid "SH3 " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   401 weight  0.10000E+01 volume  0.33221E-02 ppm1      4.364 ppm2      7.960 CV     1
 OR {  401}
   (( segid "SH3 " and resid 72   and name HA  ))
   (( segid "SH3 " and resid 20   and name HN  ))
 ASSI {  443}
   (( segid "SH3 " and resid 46   and name HB1 ))
   (( segid "SH3 " and resid 57   and name HN  ))
      4.900     3.100     1.100 peak   443 weight  0.10000E+01 volume  0.11438E-02 ppm1      1.066 ppm2      8.879 CV     1
 OR {  443}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SH3 " and resid 57   and name HN  ))
 ASSI {  473}
   (( segid "SH3 " and resid 46   and name HB1 ))
   (( segid "SH3 " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   473 weight  0.10000E+01 volume  0.43130E-02 ppm1      1.060 ppm2      7.317 CV     1
 OR {  473}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SH3 " and resid 47   and name HN  ))
 ASSI {  505}
   (( segid "SH3 " and resid 51   and name HD2 ))
   (( segid "SH3 " and resid 50   and name HD22))
      4.000     2.000     2.000 peak   505 weight  0.10000E+01 volume  0.10891E-02 ppm1      3.767 ppm2      7.590 CV     1
 OR {  505}
   (( segid "SH3 " and resid 55   and name HB  ))
   (( segid "SH3 " and resid 50   and name HD22))
 ASSI {  514}
   (( segid "SH3 " and resid 57   and name HN  ))
   (( segid "SH3 " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   514 weight  0.10000E+01 volume  0.17148E-02 ppm1      8.883 ppm2      9.543 CV     1
 OR {  514}
   (( segid "SH3 " and resid 65   and name HN  ))
   (( segid "SH3 " and resid 56   and name HN  ))
 ASSI {  526}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   526 weight  0.10000E+01 volume  0.63796E-02 ppm1      4.473 ppm2      7.870 CV     1
 OR {  526}
   (( segid "SH3 " and resid 31   and name HA  ))
   (( segid "SH3 " and resid 33   and name HN  ))
 ASSI {  531}
   (( segid "SH3 " and resid 32   and name HB1 ))
   (( segid "SH3 " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   531 weight  0.10000E+01 volume  0.59402E-02 ppm1      1.940 ppm2      7.870 CV     1
 OR {  531}
   (( segid "SH3 " and resid 31   and name HG1 ))
   (( segid "SH3 " and resid 33   and name HN  ))
 OR {  531}
   (( segid "SH3 " and resid 31   and name HG2 ))
   (( segid "SH3 " and resid 33   and name HN  ))
 ASSI {  582}
   (( segid "SH3 " and resid 54   and name HA  ))
   (( segid "SH3 " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   582 weight  0.10000E+01 volume  0.70573E-02 ppm1      4.998 ppm2      8.182 CV     1
 OR {  582}
   (( segid "SH3 " and resid 55   and name HA  ))
   (( segid "SH3 " and resid 55   and name HN  ))
 ASSI {  622}
   (( segid "SH3 " and resid 35   and name HG  ))
   (( segid "SH3 " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak   622 weight  0.10000E+01 volume  0.12056E-02 ppm1      1.487 ppm2      8.136 CV     1
 OR {  622}
   (( segid "SH3 " and resid 28   and name HB1 ))
   (( segid "SH3 " and resid 37   and name HN  ))
 ASSI {  634}
   (( segid "SH3 " and resid 61   and name HG2 ))
   (( segid "SH3 " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   634 weight  0.10000E+01 volume  0.11514E-02 ppm1      1.358 ppm2      8.918 CV     1
 OR {  634}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 60   and name HN  ))
 ASSI {  704}
   (  segid "SH3 " and resid 62   and name HD2%)
   (( segid "SH3 " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak   704 weight  0.10000E+01 volume  0.65189E-02 ppm1      0.660 ppm2      8.519 CV     1
 OR {  704}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 63   and name HN  ))
 ASSI {  710}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SH3 " and resid 47   and name HN  ))
      3.600     1.700     1.700 peak   710 weight  0.10000E+01 volume  0.24376E-02 ppm1      8.187 ppm2      7.317 CV     1
 OR {  710}
   (( segid "SH3 " and resid 49   and name HN  ))
   (( segid "SH3 " and resid 47   and name HN  ))
 ASSI {  729}
   (( segid "SH3 " and resid 73   and name HB1 ))
   (( segid "SH3 " and resid 20   and name HE1 ))
      4.700     2.800     1.300 peak   729 weight  0.10000E+01 volume  0.49192E-03 ppm1      1.973 ppm2      9.949 CV     1
 OR {  729}
   (( segid "SH3 " and resid 74   and name HG2 ))
   (( segid "SH3 " and resid 20   and name HE1 ))
 OR {  729}
   (( segid "SH3 " and resid 72   and name HG1 ))
   (( segid "SH3 " and resid 20   and name HE1 ))
 ASSI {  777}
   (( segid "SH3 " and resid 57   and name HD2 ))
   (( segid "SH3 " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   777 weight  0.10000E+01 volume  0.52839E-03 ppm1      2.938 ppm2      9.493 CV     1
 OR {  777}
   (( segid "SH3 " and resid 60   and name HB2 ))
   (( segid "SH3 " and resid 59   and name HN  ))
 ASSI {  779}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   779 weight  0.10000E+01 volume  0.10504E-02 ppm1      1.354 ppm2      9.491 CV     1
 OR {  779}
   (( segid "SH3 " and resid 57   and name HG1 ))
   (( segid "SH3 " and resid 59   and name HN  ))
 ASSI {  831}
   (  segid "SH3 " and resid 37   and name HD% )
   (( segid "SH3 " and resid 39   and name HN  ))
      4.200     2.200     1.800 peak   831 weight  0.10000E+01 volume  0.84014E-03 ppm1      6.592 ppm2      8.961 CV     1
 OR {  831}
   (  segid "SH3 " and resid 27   and name HE% )
   (( segid "SH3 " and resid 39   and name HN  ))
 ASSI {  836}
   (( segid "SH3 " and resid 38   and name HB1 ))
   (( segid "SH3 " and resid 40   and name HN  ))
      5.000     3.200     1.000 peak   836 weight  0.10000E+01 volume  0.44631E-03 ppm1      1.521 ppm2      8.575 CV     1
 OR {  836}
   (( segid "SH3 " and resid 22   and name HB2 ))
   (( segid "SH3 " and resid 40   and name HN  ))
 ASSI {  838}
   (( segid "SH3 " and resid 22   and name HA  ))
   (( segid "SH3 " and resid 40   and name HN  ))
      4.500     2.500     1.500 peak   838 weight  0.10000E+01 volume  0.80910E-03 ppm1      4.674 ppm2      8.576 CV     1
 OR {  838}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 40   and name HN  ))
 ASSI {  853}
   (( segid "SH3 " and resid 61   and name HA  ))
   (( segid "SH3 " and resid 63   and name HN  ))
      5.000     3.100     1.000 peak   853 weight  0.10000E+01 volume  0.52444E-03 ppm1      4.475 ppm2      8.522 CV     1
 OR {  853}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 63   and name HN  ))
 ASSI {  872}
   (  segid "SH3 " and resid 58   and name HD2%)
   (( segid "SH3 " and resid 60   and name HN  ))
      4.600     2.700     1.400 peak   872 weight  0.10000E+01 volume  0.48453E-03 ppm1      0.645 ppm2      8.914 CV     1
 OR {  872}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 60   and name HN  ))
 ASSI {  886}
   (( segid "SH3 " and resid 35   and name HB1 ))
   (( segid "SH3 " and resid 56   and name HN  ))
      4.300     2.400     1.700 peak   886 weight  0.10000E+01 volume  0.50718E-03 ppm1      1.816 ppm2      9.547 CV     1
 OR {  886}
   (( segid "SH3 " and resid 54   and name HB1 ))
   (( segid "SH3 " and resid 56   and name HN  ))
 ASSI {  923}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 73   and name HN  ))
      4.400     2.500     1.600 peak   923 weight  0.10000E+01 volume  0.59763E-03 ppm1      3.710 ppm2      8.546 CV     1
 OR {  923}
   (( segid "SH3 " and resid 72   and name HD1 ))
   (( segid "SH3 " and resid 73   and name HN  ))
 ASSI {  935}
   (( segid "SH3 " and resid 57   and name HD2 ))
   (( segid "SH3 " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak   935 weight  0.10000E+01 volume  0.66887E-03 ppm1      2.950 ppm2      8.241 CV     1
 OR {  935}
   (( segid "SH3 " and resid 60   and name HB2 ))
   (( segid "SH3 " and resid 62   and name HN  ))
 ASSI {  937}
   (  segid "SH3 " and resid 62   and name HD2%)
   (( segid "SH3 " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak   937 weight  0.10000E+01 volume  0.29894E-02 ppm1      0.658 ppm2      8.236 CV     1
 OR {  937}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 62   and name HN  ))
 ASSI {  953}
   (( segid "SH3 " and resid 51   and name HB1 ))
   (( segid "SH3 " and resid 53   and name HN  ))
      4.200     2.200     1.800 peak   953 weight  0.10000E+01 volume  0.14402E-02 ppm1      1.817 ppm2      8.285 CV     1
 OR {  953}
   (( segid "SH3 " and resid 54   and name HB1 ))
   (( segid "SH3 " and resid 53   and name HN  ))
 ASSI {  967}
   (( segid "SH3 " and resid 54   and name HB1 ))
   (( segid "SH3 " and resid 67   and name HN  ))
      5.200     3.300     0.800 peak   967 weight  0.10000E+01 volume  0.44929E-03 ppm1      1.823 ppm2      7.284 CV     1
 OR {  967}
   (( segid "SH3 " and resid 28   and name HG2 ))
   (( segid "SH3 " and resid 67   and name HN  ))
 ASSI {  968}
   (( segid "SH3 " and resid 53   and name HB2 ))
   (( segid "SH3 " and resid 67   and name HN  ))
      4.200     2.200     1.800 peak   968 weight  0.10000E+01 volume  0.77113E-03 ppm1      2.669 ppm2      7.281 CV     1
 OR {  968}
   (( segid "SH3 " and resid 50   and name HB1 ))
   (( segid "SH3 " and resid 67   and name HN  ))
 ASSI {  992}
   (  segid "SH3 " and resid 62   and name HD2%)
   (( segid "SH3 " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   992 weight  0.10000E+01 volume  0.25375E-02 ppm1      0.653 ppm2      8.875 CV     1
 OR {  992}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 57   and name HN  ))
 ASSI {  993}
   (( segid "SH3 " and resid 35   and name HB1 ))
   (( segid "SH3 " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak   993 weight  0.10000E+01 volume  0.15543E-02 ppm1      1.801 ppm2      8.892 CV     1
 OR {  993}
   (( segid "SH3 " and resid 54   and name HB1 ))
   (( segid "SH3 " and resid 65   and name HN  ))
 ASSI {    2}
   (( segid "SH3 " and resid 49   and name HN  ))
   (( segid "SH3 " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak     2 weight  0.10000E+01 volume  0.31564E-02 ppm1      8.191 ppm2      3.272 CV     1
 OR {    2}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SH3 " and resid 48   and name HA  ))
 ASSI {   29}
   (( segid "SH3 " and resid 31   and name HA  ))
   (( segid "SH3 " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak    29 weight  0.10000E+01 volume  0.13182E-02 ppm1      4.474 ppm2      1.926 CV     1
 OR {   29}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 32   and name HB1 ))
 ASSI {  115}
   (( segid "SH3 " and resid 67   and name HA  ))
   (( segid "SH3 " and resid 66   and name HG2 ))
      4.500     2.500     1.500 peak   115 weight  0.10000E+01 volume  0.98896E-03 ppm1      2.480 ppm2      0.227 CV     1
 OR {  115}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 66   and name HG2 ))
 ASSI {  117}
   (( segid "SH3 " and resid 27   and name HA  ))
   (( segid "SH3 " and resid 66   and name HG2 ))
      4.400     2.400     1.600 peak   117 weight  0.10000E+01 volume  0.87383E-03 ppm1      4.797 ppm2      0.226 CV     1
 OR {  117}
   (( segid "SH3 " and resid 65   and name HA  ))
   (( segid "SH3 " and resid 66   and name HG2 ))
 ASSI {  123}
   (( segid "SH3 " and resid 68   and name HD22))
   (( segid "SH3 " and resid 66   and name HG2 ))
      4.100     2.100     1.900 peak   123 weight  0.10000E+01 volume  0.16538E-02 ppm1      6.609 ppm2      0.216 CV     1
 OR {  123}
   (  segid "SH3 " and resid 37   and name HD% )
   (( segid "SH3 " and resid 66   and name HG2 ))
 OR {  123}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SH3 " and resid 66   and name HG2 ))
 ASSI {  126}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SH3 " and resid 66   and name HG1 ))
      3.900     1.900     1.900 peak   126 weight  0.10000E+01 volume  0.19137E-02 ppm1      6.622 ppm2     -0.193 CV     1
 OR {  126}
   (( segid "SH3 " and resid 68   and name HD22))
   (( segid "SH3 " and resid 66   and name HG1 ))
 OR {  126}
   (  segid "SH3 " and resid 37   and name HD% )
   (( segid "SH3 " and resid 66   and name HG1 ))
 ASSI {  127}
   (( segid "SH3 " and resid 27   and name HA  ))
   (( segid "SH3 " and resid 66   and name HG1 ))
      4.100     2.100     1.900 peak   127 weight  0.10000E+01 volume  0.90933E-03 ppm1      4.797 ppm2     -0.192 CV     1
 OR {  127}
   (( segid "SH3 " and resid 65   and name HA  ))
   (( segid "SH3 " and resid 66   and name HG1 ))
 ASSI {  151}
   (( segid "SH3 " and resid 22   and name HN  ))
   (( segid "SH3 " and resid 22   and name HG1 ))
      3.900     1.900     1.900 peak   151 weight  0.10000E+01 volume  0.18219E-02 ppm1      8.558 ppm2      1.119 CV     1
 OR {  151}
   (( segid "SH3 " and resid 40   and name HN  ))
   (( segid "SH3 " and resid 22   and name HG1 ))
 ASSI {  179}
   (( segid "SH3 " and resid 41   and name HN  ))
   (  segid "SH3 " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak   179 weight  0.10000E+01 volume  0.18969E-02 ppm1      7.791 ppm2      0.848 CV     1
 OR {  179}
   (( segid "SH3 " and resid 44   and name HN  ))
   (  segid "SH3 " and resid 58   and name HD1%)
 ASSI {  182}
   (( segid "SH3 " and resid 41   and name HG1 ))
   (  segid "SH3 " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak   182 weight  0.10000E+01 volume  0.11408E-02 ppm1      2.454 ppm2      0.848 CV     1
 OR {  182}
   (( segid "SH3 " and resid 27   and name HB1 ))
   (  segid "SH3 " and resid 58   and name HD1%)
 ASSI {  217}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 38   and name HG2 ))
      3.500     1.500     1.500 peak   217 weight  0.10000E+01 volume  0.14824E-02 ppm1      4.674 ppm2      1.560 CV     1
 OR {  217}
   (( segid "SH3 " and resid 37   and name HA  ))
   (( segid "SH3 " and resid 38   and name HG2 ))
 ASSI {  224}
   (( segid "SH3 " and resid 37   and name HA  ))
   (( segid "SH3 " and resid 38   and name HG1 ))
      3.400     1.400     1.400 peak   224 weight  0.10000E+01 volume  0.11699E-02 ppm1      4.661 ppm2      1.466 CV     1
 OR {  224}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 38   and name HG1 ))
 ASSI {  249}
   (( segid "SH3 " and resid 33   and name HB1 ))
   (  segid "SH3 " and resid 64   and name HD2%)
      3.600     1.600     1.600 peak   249 weight  0.10000E+01 volume  0.32899E-02 ppm1      2.392 ppm2      0.514 CV     1
 OR {  249}
   (( segid "SH3 " and resid 34   and name HG2 ))
   (  segid "SH3 " and resid 64   and name HD2%)
 ASSI {  344}
   (( segid "SH3 " and resid 34   and name HG1 ))
   (  segid "SH3 " and resid 64   and name HD1%)
      3.000     1.100     1.100 peak   344 weight  0.10000E+01 volume  0.15354E-02 ppm1      2.117 ppm2      0.614 CV     1
 OR {  344}
   (( segid "SLP " and resid 84   and name HE1 ))
   (  segid "SH3 " and resid 64   and name HD1%)
 ASSI {  364}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 51   and name HD2 ))
      3.000     1.100     1.100 peak   364 weight  0.10000E+01 volume  0.16356E-02 ppm1      8.283 ppm2      3.768 CV     1
 OR {  364}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 51   and name HD2 ))
 ASSI {  374}
   (( segid "SH3 " and resid 64   and name HN  ))
   (  segid "SH3 " and resid 35   and name HD2%)
      4.100     2.100     1.900 peak   374 weight  0.10000E+01 volume  0.92778E-03 ppm1      9.077 ppm2      0.803 CV     1
 OR {  374}
   (( segid "SH3 " and resid 21   and name HN  ))
   (  segid "SH3 " and resid 35   and name HD2%)
 ASSI {  412}
   (( segid "SH3 " and resid 41   and name HG1 ))
   (  segid "SH3 " and resid 58   and name HD2%)
      4.200     2.200     1.800 peak   412 weight  0.10000E+01 volume  0.93106E-03 ppm1      2.455 ppm2      0.629 CV     1
 OR {  412}
   (( segid "SH3 " and resid 27   and name HB1 ))
   (  segid "SH3 " and resid 58   and name HD2%)
 ASSI {  421}
   (( segid "SLP " and resid 81   and name HG1 ))
   (  segid "SH3 " and resid 30   and name HD1%)
      3.600     1.600     1.600 peak   421 weight  0.10000E+01 volume  0.20643E-02 ppm1      1.975 ppm2      0.565 CV     1
 OR {  421}
   (( segid "SH3 " and resid 31   and name HB2 ))
   (  segid "SH3 " and resid 30   and name HD1%)
 ASSI {  453}
   (( segid "SH3 " and resid 37   and name HZ  ))
   (  segid "SH3 " and resid 21   and name HB% )
      3.200     1.300     1.300 peak   453 weight  0.10000E+01 volume  0.27710E-02 ppm1      6.533 ppm2      0.942 CV     1
 OR {  453}
   (( segid "SH3 " and resid 54   and name HZ3 ))
   (  segid "SH3 " and resid 21   and name HB% )
 ASSI {  514}
   (( segid "SH3 " and resid 48   and name HB1 ))
   (  segid "SH3 " and resid 45   and name HG1%)
      3.700     1.700     1.700 peak   514 weight  0.10000E+01 volume  0.17741E-02 ppm1      2.604 ppm2      0.746 CV     1
 OR {  514}
   (( segid "SH3 " and resid 54   and name HB2 ))
   (  segid "SH3 " and resid 45   and name HG1%)
 ASSI {  582}
   (( segid "SH3 " and resid 73   and name HN  ))
   (  segid "SH3 " and resid 42   and name HG1%)
      3.700     1.700     1.700 peak   582 weight  0.10000E+01 volume  0.16426E-02 ppm1      8.553 ppm2      0.698 CV     1
 OR {  582}
   (( segid "SH3 " and resid 22   and name HN  ))
   (  segid "SH3 " and resid 42   and name HG1%)
 ASSI {  625}
   (( segid "SH3 " and resid 69   and name HB1 ))
   (  segid "SH3 " and resid 70   and name HG2%)
      3.300     1.300     1.300 peak   625 weight  0.10000E+01 volume  0.40395E-02 ppm1      3.357 ppm2      0.160 CV     1
 OR {  625}
   (( segid "SH3 " and resid 65   and name HB2 ))
   (  segid "SH3 " and resid 70   and name HG2%)
 OR {  625}
   (( segid "SH3 " and resid 69   and name HB2 ))
   (  segid "SH3 " and resid 70   and name HG2%)
 ASSI {  626}
   (( segid "SH3 " and resid 67   and name HA  ))
   (  segid "SH3 " and resid 70   and name HG2%)
      3.400     1.500     1.500 peak   626 weight  0.10000E+01 volume  0.25290E-02 ppm1      2.467 ppm2      0.160 CV     1
 OR {  626}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (  segid "SH3 " and resid 70   and name HG2%)
 ASSI {  658}
   (( segid "SH3 " and resid 22   and name HA  ))
   (  segid "SH3 " and resid 23   and name HB% )
      3.400     1.500     1.500 peak   658 weight  0.10000E+01 volume  0.50527E-02 ppm1      4.658 ppm2      0.993 CV     1
 OR {  658}
   (( segid "SH3 " and resid 37   and name HA  ))
   (  segid "SH3 " and resid 23   and name HB% )
 ASSI {  708}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 63   and name HA2 ))
      4.300     2.300     1.700 peak   708 weight  0.10000E+01 volume  0.15398E-02 ppm1      0.656 ppm2      4.041 CV     1
 OR {  708}
   (  segid "SH3 " and resid 62   and name HD2%)
   (( segid "SH3 " and resid 63   and name HA2 ))
 ASSI {  717}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SH3 " and resid 56   and name HA1 ))
      5.100     3.200     0.900 peak   717 weight  0.10000E+01 volume  0.11302E-02 ppm1      1.068 ppm2      3.799 CV     1
 OR {  717}
   (( segid "SH3 " and resid 46   and name HB1 ))
   (( segid "SH3 " and resid 56   and name HA1 ))
 ASSI {  727}
   (  segid "SH3 " and resid 35   and name HD1%)
   (( segid "SH3 " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   727 weight  0.10000E+01 volume  0.29066E-02 ppm1      0.644 ppm2      1.628 CV     1
 OR {  727}
   (  segid "SH3 " and resid 58   and name HD2%)
   (( segid "SH3 " and resid 58   and name HB2 ))
 ASSI {  743}
   (( segid "SH3 " and resid 67   and name HA  ))
   (  segid "SH3 " and resid 70   and name HG1%)
      3.700     1.700     1.700 peak   743 weight  0.10000E+01 volume  0.29705E-02 ppm1      2.466 ppm2      0.640 CV     1
 OR {  743}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (  segid "SH3 " and resid 70   and name HG1%)
 ASSI {  787}
   (( segid "SH3 " and resid 36   and name HA2 ))
   (( segid "SH3 " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   787 weight  0.10000E+01 volume  0.12472E-02 ppm1      3.896 ppm2      0.686 CV     1
 OR {  787}
   (( segid "SH3 " and resid 43   and name HA  ))
   (( segid "SH3 " and resid 35   and name HB1 ))
 ASSI {  872}
   (( segid "SH3 " and resid 20   and name HB1 ))
   (  segid "SH3 " and resid 73   and name HE% )
      3.700     1.700     1.700 peak   872 weight  0.10000E+01 volume  0.22542E-02 ppm1      2.975 ppm2      1.755 CV     1
 OR {  872}
   (( segid "SH3 " and resid 22   and name HD2 ))
   (  segid "SH3 " and resid 73   and name HE% )
 ASSI {  953}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 50   and name HB2 ))
      3.900     1.900     1.900 peak   953 weight  0.10000E+01 volume  0.22255E-02 ppm1      8.281 ppm2      3.423 CV     1
 OR {  953}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 50   and name HB2 ))
 ASSI {  964}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 50   and name HB1 ))
      2.800     1.000     1.000 peak   964 weight  0.10000E+01 volume  0.19592E-02 ppm1      8.275 ppm2      2.651 CV     1
 OR {  964}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 50   and name HB1 ))
 ASSI { 1008}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak  1008 weight  0.10000E+01 volume  0.50118E-02 ppm1      8.279 ppm2      3.811 CV     1
 OR { 1008}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 52   and name HB2 ))
 ASSI { 1023}
   (( segid "SH3 " and resid 67   and name HA  ))
   (( segid "SH3 " and resid 69   and name HB2 ))
      4.300     2.300     1.700 peak  1023 weight  0.10000E+01 volume  0.11328E-02 ppm1      2.480 ppm2      3.367 CV     1
 OR { 1023}
   (( segid "SH3 " and resid 67   and name HA  ))
   (( segid "SH3 " and resid 69   and name HB1 ))
 OR { 1023}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 69   and name HB1 ))
 OR { 1023}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 69   and name HB2 ))
 ASSI { 1039}
   (( segid "SH3 " and resid 46   and name HG  ))
   (( segid "SH3 " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  1039 weight  0.10000E+01 volume  0.21883E-02 ppm1      1.283 ppm2      3.846 CV     1
 OR { 1039}
   (( segid "SH3 " and resid 44   and name HG1 ))
   (( segid "SH3 " and resid 45   and name HA  ))
 ASSI { 1061}
   (( segid "SH3 " and resid 25   and name HA  ))
   (( segid "SH3 " and resid 39   and name HB2 ))
      2.900     1.000     1.000 peak  1061 weight  0.10000E+01 volume  0.40781E-02 ppm1      4.644 ppm2      3.465 CV     1
 OR { 1061}
   (( segid "SH3 " and resid 25   and name HA  ))
   (( segid "SH3 " and resid 39   and name HB1 ))
 OR { 1061}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 39   and name HB1 ))
 ASSI { 1080}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 32   and name HG1 ))
      3.500     1.500     1.500 peak  1080 weight  0.10000E+01 volume  0.30308E-02 ppm1      4.485 ppm2      2.172 CV     1
 OR { 1080}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 32   and name HG2 ))
 OR { 1080}
   (( segid "SH3 " and resid 31   and name HA  ))
   (( segid "SH3 " and resid 32   and name HG1 ))
 ASSI { 1084}
   (( segid "SLP " and resid 84   and name HD2 ))
   (( segid "SH3 " and resid 31   and name HG1 ))
      3.900     1.900     1.900 peak  1084 weight  0.10000E+01 volume  0.12771E-02 ppm1      0.563 ppm2      1.957 CV     1
 OR { 1084}
   (( segid "SLP " and resid 84   and name HD2 ))
   (( segid "SH3 " and resid 31   and name HG2 ))
 OR { 1084}
   (  segid "SH3 " and resid 30   and name HD1%)
   (( segid "SH3 " and resid 31   and name HG2 ))
 ASSI { 1124}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak  1124 weight  0.10000E+01 volume  0.37321E-02 ppm1      8.555 ppm2      1.977 CV     1
 OR { 1124}
   (( segid "SH3 " and resid 74   and name HN  ))
   (( segid "SH3 " and resid 73   and name HB2 ))
 ASSI { 1128}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak  1128 weight  0.10000E+01 volume  0.45915E-02 ppm1      8.555 ppm2      1.737 CV     1
 OR { 1128}
   (( segid "SH3 " and resid 74   and name HN  ))
   (( segid "SH3 " and resid 73   and name HB1 ))
 ASSI { 1192}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1192 weight  0.10000E+01 volume  0.63916E-02 ppm1      8.284 ppm2      4.223 CV     1
 OR { 1192}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 52   and name HA  ))
 ASSI { 1200}
   (( segid "SH3 " and resid 25   and name HA  ))
   (( segid "SH3 " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  1200 weight  0.10000E+01 volume  0.18315E-02 ppm1      4.647 ppm2      3.200 CV     1
 OR { 1200}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 39   and name HA  ))
 ASSI { 1212}
   (  segid "SH3 " and resid 42   and name HG2%)
   (( segid "SH3 " and resid 20   and name HB1 ))
      4.000     2.000     2.000 peak  1212 weight  0.10000E+01 volume  0.15788E-02 ppm1      0.756 ppm2      2.969 CV     1
 OR { 1212}
   (  segid "SH3 " and resid 18   and name HG1%)
   (( segid "SH3 " and resid 20   and name HB1 ))
 ASSI { 1217}
   (  segid "SH3 " and resid 18   and name HG1%)
   (( segid "SH3 " and resid 20   and name HB2 ))
      4.300     2.300     1.700 peak  1217 weight  0.10000E+01 volume  0.12671E-02 ppm1      0.756 ppm2      2.793 CV     1
 OR { 1217}
   (  segid "SH3 " and resid 42   and name HG2%)
   (( segid "SH3 " and resid 20   and name HB2 ))
 ASSI { 1231}
   (( segid "SH3 " and resid 72   and name HD2 ))
   (( segid "SH3 " and resid 72   and name HB2 ))
      2.900     1.000     1.000 peak  1231 weight  0.10000E+01 volume  0.21220E-02 ppm1      3.712 ppm2      2.391 CV     1
 OR { 1231}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 72   and name HB2 ))
 ASSI { 1241}
   (( segid "SH3 " and resid 72   and name HD2 ))
   (( segid "SH3 " and resid 72   and name HB1 ))
      3.300     1.400     1.400 peak  1241 weight  0.10000E+01 volume  0.27184E-02 ppm1      3.715 ppm2      1.912 CV     1
 OR { 1241}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 72   and name HB1 ))
 ASSI { 1252}
   (( segid "SH3 " and resid 31   and name HA  ))
   (( segid "SH3 " and resid 32   and name HA  ))
      3.300     1.300     1.300 peak  1252 weight  0.10000E+01 volume  0.29566E-02 ppm1      4.488 ppm2      3.893 CV     1
 OR { 1252}
   (( segid "SH3 " and resid 33   and name HA  ))
   (( segid "SH3 " and resid 32   and name HA  ))
 ASSI { 1308}
   (( segid "SH3 " and resid 22   and name HA  ))
   (( segid "SH3 " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  1308 weight  0.10000E+01 volume  0.33102E-02 ppm1      4.663 ppm2      1.526 CV     1
 OR { 1308}
   (( segid "SH3 " and resid 26   and name HA  ))
   (( segid "SH3 " and resid 38   and name HB1 ))
 ASSI { 1368}
   (( segid "SH3 " and resid 74   and name HN  ))
   (( segid "SH3 " and resid 73   and name HG2 ))
      3.100     1.200     1.200 peak  1368 weight  0.10000E+01 volume  0.42394E-02 ppm1      8.550 ppm2      2.315 CV     1
 OR { 1368}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 73   and name HG2 ))
 ASSI { 1372}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 73   and name HG1 ))
      3.500     1.500     1.500 peak  1372 weight  0.10000E+01 volume  0.47627E-02 ppm1      8.550 ppm2      2.209 CV     1
 OR { 1372}
   (( segid "SH3 " and resid 74   and name HN  ))
   (( segid "SH3 " and resid 73   and name HG1 ))
 ASSI { 1404}
   (( segid "SH3 " and resid 67   and name HN  ))
   (( segid "SH3 " and resid 66   and name HB1 ))
      3.500     1.600     1.600 peak  1404 weight  0.10000E+01 volume  0.15737E-02 ppm1      7.277 ppm2      1.240 CV     1
 OR { 1404}
   (( segid "SH3 " and resid 70   and name HN  ))
   (( segid "SH3 " and resid 66   and name HB1 ))
 ASSI { 1430}
   (( segid "SH3 " and resid 44   and name HA  ))
   (( segid "SH3 " and resid 44   and name HB1 ))
      3.400     1.400     1.400 peak  1430 weight  0.10000E+01 volume  0.18390E-02 ppm1      3.867 ppm2      1.790 CV     1
 OR { 1430}
   (( segid "SH3 " and resid 43   and name HA  ))
   (( segid "SH3 " and resid 44   and name HB1 ))
 ASSI { 1455}
   (( segid "SH3 " and resid 16   and name HA1 ))
   (( segid "SH3 " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  1455 weight  0.10000E+01 volume  0.28454E-02 ppm1      3.717 ppm2      4.035 CV     1
 OR { 1455}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 17   and name HA  ))
 OR { 1455}
   (( segid "SH3 " and resid 16   and name HA2 ))
   (( segid "SH3 " and resid 17   and name HA  ))
 ASSI { 1470}
   (  segid "SH3 " and resid 21   and name HB% )
   (( segid "SH3 " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak  1470 weight  0.10000E+01 volume  0.19707E-02 ppm1      0.946 ppm2      5.305 CV     1
 OR { 1470}
   (( segid "SH3 " and resid 44   and name HG2 ))
   (( segid "SH3 " and resid 20   and name HA  ))
 ASSI { 1521}
   (( segid "SH3 " and resid 34   and name HG2 ))
   (( segid "SH3 " and resid 31   and name HB1 ))
      3.900     1.900     1.900 peak  1521 weight  0.10000E+01 volume  0.80587E-03 ppm1      2.381 ppm2      1.293 CV     1
 OR { 1521}
   (( segid "SH3 " and resid 33   and name HB1 ))
   (( segid "SH3 " and resid 31   and name HB1 ))
 ASSI { 1551}
   (( segid "SH3 " and resid 58   and name HG  ))
   (( segid "SH3 " and resid 43   and name HA  ))
      3.600     1.700     1.700 peak  1551 weight  0.10000E+01 volume  0.12428E-02 ppm1      0.956 ppm2      3.874 CV     1
 OR { 1551}
   (  segid "SH3 " and resid 21   and name HB% )
   (( segid "SH3 " and resid 43   and name HA  ))
 ASSI { 1579}
   (( segid "SH3 " and resid 54   and name HZ2 ))
   (( segid "SH3 " and resid 48   and name HB2 ))
      4.100     2.100     1.900 peak  1579 weight  0.10000E+01 volume  0.10158E-02 ppm1      7.314 ppm2      1.670 CV     1
 OR { 1579}
   (( segid "SH3 " and resid 47   and name HN  ))
   (( segid "SH3 " and resid 48   and name HB2 ))
 ASSI { 1581}
   (( segid "SH3 " and resid 47   and name HN  ))
   (( segid "SH3 " and resid 48   and name HB1 ))
      3.700     1.700     1.700 peak  1581 weight  0.10000E+01 volume  0.17500E-02 ppm1      7.313 ppm2      2.588 CV     1
 OR { 1581}
   (( segid "SH3 " and resid 54   and name HZ2 ))
   (( segid "SH3 " and resid 48   and name HB1 ))
 ASSI { 1591}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SH3 " and resid 52   and name HB1 ))
      2.700     0.900     0.900 peak  1591 weight  0.10000E+01 volume  0.47222E-02 ppm1      8.284 ppm2      3.671 CV     1
 OR { 1591}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SH3 " and resid 52   and name HB1 ))
 ASSI { 1595}
   (( segid "SH3 " and resid 55   and name HA  ))
   (( segid "SH3 " and resid 55   and name HB  ))
      3.000     1.100     1.100 peak  1595 weight  0.10000E+01 volume  0.24625E-02 ppm1      4.994 ppm2      3.778 CV     1
 OR { 1595}
   (( segid "SH3 " and resid 54   and name HA  ))
   (( segid "SH3 " and resid 55   and name HB  ))
 ASSI { 1598}
   (( segid "SH3 " and resid 57   and name HB2 ))
   (( segid "SH3 " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1598 weight  0.10000E+01 volume  0.57509E-02 ppm1      1.354 ppm2      5.601 CV     1
 OR { 1598}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 57   and name HA  ))
 ASSI { 1614}
   (( segid "SH3 " and resid 61   and name HG1 ))
   (( segid "SH3 " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak  1614 weight  0.10000E+01 volume  0.58176E-02 ppm1      1.426 ppm2      4.487 CV     1
 OR { 1614}
   (( segid "SH3 " and resid 62   and name HG  ))
   (( segid "SH3 " and resid 61   and name HA  ))
 ASSI { 1633}
   (( segid "SH3 " and resid 67   and name HA  ))
   (( segid "SH3 " and resid 66   and name HB1 ))
      4.300     2.300     1.700 peak  1633 weight  0.10000E+01 volume  0.58382E-03 ppm1      2.472 ppm2      1.243 CV     1
 OR { 1633}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 66   and name HB1 ))
 ASSI { 1634}
   (( segid "SH3 " and resid 67   and name HA  ))
   (( segid "SH3 " and resid 66   and name HB2 ))
      4.700     2.800     1.300 peak  1634 weight  0.10000E+01 volume  0.64638E-03 ppm1      2.479 ppm2      0.867 CV     1
 OR { 1634}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 66   and name HB2 ))
 ASSI { 1641}
   (( segid "SH3 " and resid 70   and name HN  ))
   (( segid "SH3 " and resid 66   and name HG1 ))
      4.600     2.700     1.400 peak  1641 weight  0.10000E+01 volume  0.74189E-03 ppm1      7.273 ppm2     -0.194 CV     1
 OR { 1641}
   (( segid "SH3 " and resid 67   and name HN  ))
   (( segid "SH3 " and resid 66   and name HG1 ))
 ASSI { 1642}
   (( segid "SH3 " and resid 27   and name HB1 ))
   (( segid "SH3 " and resid 66   and name HG1 ))
      4.700     2.800     1.300 peak  1642 weight  0.10000E+01 volume  0.78744E-03 ppm1      2.479 ppm2     -0.191 CV     1
 OR { 1642}
   (( segid "SH3 " and resid 65   and name HB1 ))
   (( segid "SH3 " and resid 66   and name HG1 ))
 ASSI { 1651}
   (( segid "SH3 " and resid 54   and name HZ3 ))
   (( segid "SH3 " and resid 67   and name HA  ))
      4.200     2.200     1.800 peak  1651 weight  0.10000E+01 volume  0.73513E-03 ppm1      6.549 ppm2      2.460 CV     1
 OR { 1651}
   (( segid "SH3 " and resid 37   and name HZ  ))
   (( segid "SH3 " and resid 67   and name HA  ))
 ASSI { 1673}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 72   and name HG1 ))
      4.100     2.100     1.900 peak  1673 weight  0.10000E+01 volume  0.10011E-02 ppm1      8.546 ppm2      1.972 CV     1
 OR { 1673}
   (( segid "SH3 " and resid 22   and name HN  ))
   (( segid "SH3 " and resid 72   and name HG1 ))
 ASSI { 1674}
   (( segid "SH3 " and resid 73   and name HN  ))
   (( segid "SH3 " and resid 72   and name HG2 ))
      4.500     2.600     1.500 peak  1674 weight  0.10000E+01 volume  0.87803E-03 ppm1      8.546 ppm2      2.284 CV     1
 OR { 1674}
   (( segid "SH3 " and resid 22   and name HN  ))
   (( segid "SH3 " and resid 72   and name HG2 ))
 ASSI { 1700}
   (( segid "SH3 " and resid 35   and name HG  ))
   (  segid "SH3 " and resid 29   and name HB% )
      3.500     1.600     1.600 peak  1700 weight  0.10000E+01 volume  0.16879E-02 ppm1      1.482 ppm2      0.929 CV     1
 OR { 1700}
   (( segid "SH3 " and resid 28   and name HB2 ))
   (  segid "SH3 " and resid 29   and name HB% )
 OR { 1700}
   (( segid "SH3 " and resid 28   and name HB1 ))
   (  segid "SH3 " and resid 29   and name HB% )
 ASSI { 1730}
   (( segid "SH3 " and resid 57   and name HB2 ))
   (( segid "SH3 " and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  1730 weight  0.10000E+01 volume  0.36762E-02 ppm1      1.344 ppm2      4.143 CV     1
 OR { 1730}
   (( segid "SH3 " and resid 57   and name HG1 ))
   (( segid "SH3 " and resid 60   and name HA  ))
 OR { 1730}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (( segid "SH3 " and resid 60   and name HA  ))
 ASSI { 1764}
   (( segid "SH3 " and resid 22   and name HD2 ))
   (( segid "SH3 " and resid 73   and name HG2 ))
      4.100     2.100     1.900 peak  1764 weight  0.10000E+01 volume  0.73091E-03 ppm1      2.980 ppm2      2.313 CV     1
 OR { 1764}
   (( segid "SH3 " and resid 20   and name HB1 ))
   (( segid "SH3 " and resid 73   and name HG2 ))
 ASSI { 1765}
   (( segid "SH3 " and resid 22   and name HD2 ))
   (( segid "SH3 " and resid 73   and name HG1 ))
      3.600     1.700     1.700 peak  1765 weight  0.10000E+01 volume  0.64196E-03 ppm1      2.983 ppm2      2.210 CV     1
 OR { 1765}
   (( segid "SH3 " and resid 20   and name HB1 ))
   (( segid "SH3 " and resid 73   and name HG1 ))
 ASSI { 1819}
   (( segid "SH3 " and resid 16   and name HA1 ))
   (( segid "SH3 " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak  1819 weight  0.10000E+01 volume  0.67768E-03 ppm1      3.717 ppm2      1.553 CV     1
 OR { 1819}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 17   and name HB2 ))
 OR { 1819}
   (( segid "SH3 " and resid 16   and name HA2 ))
   (( segid "SH3 " and resid 17   and name HB2 ))
 ASSI { 1820}
   (( segid "SH3 " and resid 18   and name HA  ))
   (( segid "SH3 " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak  1820 weight  0.10000E+01 volume  0.72415E-03 ppm1      3.717 ppm2      1.507 CV     1
 OR { 1820}
   (( segid "SH3 " and resid 16   and name HA1 ))
   (( segid "SH3 " and resid 17   and name HB1 ))
 OR { 1820}
   (( segid "SH3 " and resid 16   and name HA2 ))
   (( segid "SH3 " and resid 17   and name HB1 ))
 ASSI { 1831}
   (( segid "SH3 " and resid 36   and name HA2 ))
   (( segid "SH3 " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak  1831 weight  0.10000E+01 volume  0.66181E-03 ppm1      3.897 ppm2      1.813 CV     1
 OR { 1831}
   (( segid "SH3 " and resid 43   and name HA  ))
   (( segid "SH3 " and resid 35   and name HB2 ))
 ASSI { 1835}
   (( segid "SH3 " and resid 41   and name HN  ))
   (( segid "SH3 " and resid 37   and name HB1 ))
      4.700     2.800     1.300 peak  1835 weight  0.10000E+01 volume  0.67371E-03 ppm1      7.782 ppm2      2.854 CV     1
 OR { 1835}
   (( segid "SH3 " and resid 28   and name HN  ))
   (( segid "SH3 " and resid 37   and name HB1 ))
 ASSI { 1873}
   (( segid "SH3 " and resid 65   and name HZ  ))
   (( segid "SH3 " and resid 65   and name HB2 ))
      4.100     2.100     1.900 peak  1873 weight  0.10000E+01 volume  0.13341E-02 ppm1      7.044 ppm2      3.360 CV     1
 OR { 1873}
   (  segid "SH3 " and resid 27   and name HD% )
   (( segid "SH3 " and resid 65   and name HB2 ))
 OR { 1873}
   (  segid "SH3 " and resid 69   and name HD% )
   (( segid "SH3 " and resid 65   and name HB2 ))
 ASSI { 1905}
   (( segid "SH3 " and resid 34   and name HG2 ))
   (( segid "SH3 " and resid 31   and name HG1 ))
      4.000     2.000     2.000 peak  1905 weight  0.10000E+01 volume  0.10263E-02 ppm1      2.389 ppm2      1.953 CV     1
 OR { 1905}
   (( segid "SH3 " and resid 33   and name HB1 ))
   (( segid "SH3 " and resid 31   and name HG1 ))
 OR { 1905}
   (( segid "SH3 " and resid 34   and name HG2 ))
   (( segid "SH3 " and resid 31   and name HG2 ))
 OR { 1905}
   (( segid "SH3 " and resid 33   and name HB1 ))
   (( segid "SH3 " and resid 31   and name HG2 ))
 ASSI { 1964}
   (( segid "SH3 " and resid 46   and name HB1 ))
   (  segid "SH3 " and resid 45   and name HG1%)
      3.500     1.500     1.500 peak  1964 weight  0.10000E+01 volume  0.37905E-02 ppm1      1.061 ppm2      0.749 CV     1
 OR { 1964}
   (( segid "SH3 " and resid 19   and name HG2 ))
   (  segid "SH3 " and resid 45   and name HG1%)
 ASSI { 2031}
   (( segid "SH3 " and resid 73   and name HB2 ))
   (( segid "SH3 " and resid 20   and name HB1 ))
      4.200     2.200     1.800 peak  2031 weight  0.10000E+01 volume  0.56817E-03 ppm1      1.981 ppm2      2.971 CV     1
 OR { 2031}
   (( segid "SH3 " and resid 72   and name HG1 ))
   (( segid "SH3 " and resid 20   and name HB1 ))
 ASSI { 2032}
   (( segid "SH3 " and resid 73   and name HB2 ))
   (( segid "SH3 " and resid 20   and name HB2 ))
      4.000     2.000     2.000 peak  2032 weight  0.10000E+01 volume  0.66834E-03 ppm1      1.984 ppm2      2.798 CV     1
 OR { 2032}
   (( segid "SH3 " and resid 72   and name HG1 ))
   (( segid "SH3 " and resid 20   and name HB2 ))
 ASSI { 2040}
   (( segid "SH3 " and resid 31   and name HN  ))
   (( segid "SH3 " and resid 28   and name HB1 ))
      4.700     2.700     1.300 peak  2040 weight  0.10000E+01 volume  0.64171E-03 ppm1      6.816 ppm2      1.475 CV     1
 OR { 2040}
   (( segid "SH3 " and resid 31   and name HN  ))
   (( segid "SH3 " and resid 28   and name HB2 ))
 OR { 2040}
   (  segid "SH3 " and resid 65   and name HE% )
   (( segid "SH3 " and resid 28   and name HB1 ))
 ASSI { 2073}
   (( segid "SH3 " and resid 58   and name HB1 ))
   (  segid "SH3 " and resid 35   and name HD1%)
      2.600     0.800     0.800 peak  2073 weight  0.10000E+01 volume  0.27623E-02 ppm1      1.348 ppm2      0.665 CV     1
 OR { 2073}
   (( segid "SH3 " and resid 61   and name HG2 ))
   (  segid "SH3 " and resid 35   and name HD1%)
 ASSI { 2078}
   (( segid "SH3 " and resid 71   and name HN  ))
   (( segid "SH3 " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak  2078 weight  0.10000E+01 volume  0.46446E-03 ppm1      8.719 ppm2      1.525 CV     1
 OR { 2078}
   (( segid "SH3 " and resid 27   and name HN  ))
   (( segid "SH3 " and resid 38   and name HB1 ))
 ASSI { 2098}
   (( segid "SH3 " and resid 41   and name HG1 ))
   (  segid "SH3 " and resid 43   and name HG2%)
      5.500     3.800     0.500 peak  2098 weight  0.10000E+01 volume  0.66809E-03 ppm1      2.460 ppm2      0.273 CV     1
 OR { 2098}
   (( segid "SH3 " and resid 27   and name HB1 ))
   (  segid "SH3 " and resid 43   and name HG2%)
 ASSI { 2114}
   (( segid "SH3 " and resid 72   and name HB2 ))
   (  segid "SH3 " and resid 45   and name HG2%)
      4.500     2.500     1.500 peak  2114 weight  0.10000E+01 volume  0.79678E-03 ppm1      2.384 ppm2      0.354 CV     1
 OR { 2114}
   (( segid "SH3 " and resid 47   and name HB2 ))
   (  segid "SH3 " and resid 45   and name HG2%)
 ASSI { 2186}
   (( segid "SH3 " and resid 20   and name HZ2 ))
   (( segid "SH3 " and resid 19   and name HG1 ))
      4.000     2.000     2.000 peak  2186 weight  0.10000E+01 volume  0.77155E-03 ppm1      7.228 ppm2      1.239 CV     1
 OR { 2186}
   (( segid "SH3 " and resid 20   and name HZ2 ))
   (( segid "SH3 " and resid 75   and name HG2 ))
 ASSI { 2201}
   (  segid "SH3 " and resid 69   and name HD% )
   (( segid "SH3 " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak  2201 weight  0.10000E+01 volume  0.14114E-02 ppm1      7.039 ppm2      3.132 CV     1
 OR { 2201}
   (( segid "SH3 " and resid 65   and name HZ  ))
   (( segid "SH3 " and resid 66   and name HA  ))
 ASSI { 2216}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SH3 " and resid 54   and name HB2 ))
      3.300     1.400     1.400 peak  2216 weight  0.10000E+01 volume  0.34397E-02 ppm1      8.177 ppm2      2.618 CV     1
 OR { 2216}
   (( segid "SH3 " and resid 50   and name HD21))
   (( segid "SH3 " and resid 54   and name HB2 ))
 ASSI { 2217}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SH3 " and resid 54   and name HB1 ))
      2.800     1.000     1.000 peak  2217 weight  0.10000E+01 volume  0.30002E-02 ppm1      8.174 ppm2      1.807 CV     1
 OR { 2217}
   (( segid "SH3 " and resid 50   and name HD21))
   (( segid "SH3 " and resid 54   and name HB1 ))
 ASSI {   26}
   (( segid "SLP " and resid 83   and name HN  ))
   (( segid "SLP " and resid 81   and name HN  ))
      3.800     1.800     1.800 peak    26 weight  0.10000E+01 volume  0.14621E-02 ppm1      6.976 ppm2      9.197 CV     1
 OR {   26}
   (( segid "SH3 " and resid 53   and name HZ2 ))
   (( segid "SLP " and resid 81   and name HN  ))
 ASSI {   29}
   (( segid "SLP " and resid 81   and name HA  ))
   (( segid "SLP " and resid 81   and name HN  ))
      3.000     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.26199E-02 ppm1      3.856 ppm2      9.197 CV     1
 OR {   29}
   (( segid "SLP " and resid 82   and name HB1 ))
   (( segid "SLP " and resid 81   and name HN  ))
 ASSI {   51}
   (( segid "SLP " and resid 81   and name HA  ))
   (( segid "SLP " and resid 84   and name HN  ))
      3.800     1.800     1.800 peak    51 weight  0.10000E+01 volume  0.93926E-03 ppm1      3.854 ppm2      6.527 CV     1
 OR {   51}
   (( segid "SLP " and resid 82   and name HB2 ))
   (( segid "SLP " and resid 84   and name HN  ))
 ASSI {   52}
   (( segid "SLP " and resid 85   and name HD2 ))
   (( segid "SLP " and resid 84   and name HN  ))
      2.900     2.900     3.100 peak    52 weight  0.10000E+01 volume  0.81532E-03 ppm1      3.438 ppm2      6.527 CV     1
 OR {   52}
   (( segid "SH3 " and resid 50   and name HB1 ))
   (( segid "SLP " and resid 84   and name HN  ))
 ASSI {  101}
   (( segid "SLP " and resid 81   and name HG2 ))
   (( segid "SLP " and resid 81   and name HE  ))
      3.200     1.300     1.300 peak   101 weight  0.10000E+01 volume  0.17287E-02 ppm1      1.978 ppm2     10.507 CV     1
 OR {  101}
   (( segid "SH3 " and resid 31   and name HB1 ))
   (( segid "SLP " and resid 81   and name HE  ))
 ASSI {  107}
   (( segid "SLP " and resid 84   and name HD1 ))
   (( segid "SLP " and resid 81   and name HE  ))
      4.400     2.400     1.600 peak   107 weight  0.10000E+01 volume  0.59933E-03 ppm1      0.553 ppm2     10.513 CV     1
 OR {  107}
   (  segid "SH3 " and resid 30   and name HD1%)
   (( segid "SLP " and resid 81   and name HE  ))
 ASSI {  116}
   (( segid "SLP " and resid 84   and name HB1 ))
   (( segid "SLP " and resid 84   and name HA  ))
      2.900     1.000     1.000 peak   116 weight  0.10000E+01 volume  0.26705E-02 ppm1      0.636 ppm2      3.238 CV     1
 OR {  116}
   (  segid "SH3 " and resid 64   and name HD1%)
   (( segid "SLP " and resid 84   and name HA  ))
 ASSI {  177}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SLP " and resid 85   and name HG2 ))
      4.100     2.100     1.900 peak   177 weight  0.10000E+01 volume  0.10306E-02 ppm1      8.165 ppm2      1.858 CV     1
 OR {  177}
   (( segid "SH3 " and resid 50   and name HD21))
   (( segid "SLP " and resid 85   and name HG2 ))
 ASSI {  178}
   (( segid "SLP " and resid 86   and name HN  ))
   (( segid "SLP " and resid 85   and name HG2 ))
      2.400     2.400     3.600 peak   178 weight  0.10000E+01 volume  0.14428E-02 ppm1      7.807 ppm2      1.861 CV     1
 OR {  178}
   (( segid "SH3 " and resid 28   and name HN  ))
   (( segid "SLP " and resid 85   and name HG2 ))
 ASSI {  188}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SLP " and resid 85   and name HG2 ))
      4.200     2.200     1.800 peak   188 weight  0.10000E+01 volume  0.11000E-02 ppm1      1.060 ppm2      1.861 CV     1
 OR {  188}
   (( segid "SLP " and resid 84   and name HB2 ))
   (( segid "SLP " and resid 85   and name HG2 ))
 ASSI {  190}
   (( segid "SH3 " and resid 50   and name HD21))
   (( segid "SLP " and resid 85   and name HG1 ))
      3.000     1.100     1.100 peak   190 weight  0.10000E+01 volume  0.13704E-02 ppm1      8.168 ppm2      1.777 CV     1
 OR {  190}
   (( segid "SH3 " and resid 55   and name HN  ))
   (( segid "SLP " and resid 85   and name HG1 ))
 ASSI {  200}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SLP " and resid 85   and name HG1 ))
      4.300     2.400     1.700 peak   200 weight  0.10000E+01 volume  0.15336E-02 ppm1      1.062 ppm2      1.776 CV     1
 OR {  200}
   (( segid "SLP " and resid 84   and name HB2 ))
   (( segid "SLP " and resid 85   and name HG1 ))
 ASSI {  203}
   (( segid "SH3 " and resid 53   and name HN  ))
   (( segid "SLP " and resid 85   and name HG1 ))
      4.500     2.500     1.500 peak   203 weight  0.10000E+01 volume  0.70725E-03 ppm1      8.280 ppm2      1.773 CV     1
 OR {  203}
   (( segid "SH3 " and resid 52   and name HN  ))
   (( segid "SLP " and resid 85   and name HG1 ))
 ASSI {  215}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 77   and name HG2 ))
      3.600     1.600     1.600 peak   215 weight  0.10000E+01 volume  0.27932E-02 ppm1      6.615 ppm2      1.416 CV     1
 OR {  215}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 77   and name HG2 ))
 ASSI {  226}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 77   and name HG1 ))
      3.900     1.900     1.900 peak   226 weight  0.10000E+01 volume  0.29763E-02 ppm1      6.613 ppm2      1.307 CV     1
 OR {  226}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 77   and name HG1 ))
 ASSI {  274}
   (  segid "SH3 " and resid 64   and name HD2%)
   (( segid "SLP " and resid 85   and name HD1 ))
      3.500     1.500     1.500 peak   274 weight  0.10000E+01 volume  0.41721E-02 ppm1      0.527 ppm2      3.057 CV     1
 OR {  274}
   (( segid "SLP " and resid 84   and name HD1 ))
   (( segid "SLP " and resid 85   and name HD1 ))
 ASSI {  307}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 77   and name HD2 ))
      3.200     1.300     1.300 peak   307 weight  0.10000E+01 volume  0.15384E-02 ppm1      6.607 ppm2      2.007 CV     1
 OR {  307}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 77   and name HD2 ))
 ASSI {  321}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 77   and name HD1 ))
      4.000     2.000     2.000 peak   321 weight  0.10000E+01 volume  0.18685E-02 ppm1      6.613 ppm2      1.724 CV     1
 OR {  321}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 77   and name HD1 ))
 ASSI {  328}
   (( segid "SH3 " and resid 53   and name HN  ))
   (  segid "SLP " and resid 83   and name HG2%)
      3.800     1.800     1.800 peak   328 weight  0.10000E+01 volume  0.10671E-02 ppm1      8.282 ppm2      1.008 CV     1
 OR {  328}
   (( segid "SH3 " and resid 52   and name HN  ))
   (  segid "SLP " and resid 83   and name HG2%)
 ASSI {  364}
   (( segid "SLP " and resid 78   and name HN  ))
   (  segid "SLP " and resid 76   and name HB% )
      2.500     2.500     3.500 peak   364 weight  0.10000E+01 volume  0.94966E-03 ppm1      8.610 ppm2      0.869 CV     1
 OR {  364}
   (( segid "SLP " and resid 79   and name HN  ))
   (  segid "SLP " and resid 76   and name HB% )
 ASSI {  386}
   (  segid "SH3 " and resid 30   and name HD1%)
   (( segid "SLP " and resid 81   and name HD2 ))
      4.200     2.200     1.800 peak   386 weight  0.10000E+01 volume  0.68274E-03 ppm1      0.552 ppm2      3.155 CV     1
 OR {  386}
   (( segid "SLP " and resid 84   and name HD1 ))
   (( segid "SLP " and resid 81   and name HD2 ))
 ASSI {  408}
   (( segid "SLP " and resid 82   and name HB2 ))
   (( segid "SLP " and resid 80   and name HB1 ))
      4.200     2.200     1.800 peak   408 weight  0.10000E+01 volume  0.12910E-02 ppm1      3.837 ppm2      2.954 CV     1
 OR {  408}
   (( segid "SLP " and resid 82   and name HB1 ))
   (( segid "SLP " and resid 80   and name HB1 ))
 OR {  408}
   (( segid "SLP " and resid 79   and name HA  ))
   (( segid "SLP " and resid 80   and name HB1 ))
 ASSI {  413}
   (( segid "SLP " and resid 79   and name HA  ))
   (( segid "SLP " and resid 80   and name HB2 ))
      3.600     1.600     1.600 peak   413 weight  0.10000E+01 volume  0.13794E-02 ppm1      3.840 ppm2      2.356 CV     1
 OR {  413}
   (( segid "SLP " and resid 82   and name HB1 ))
   (( segid "SLP " and resid 80   and name HB2 ))
 OR {  413}
   (( segid "SLP " and resid 82   and name HB2 ))
   (( segid "SLP " and resid 80   and name HB2 ))
 ASSI {  418}
   (( segid "SLP " and resid 83   and name HN  ))
   (( segid "SLP " and resid 84   and name HE2 ))
      4.600     2.700     1.400 peak   418 weight  0.10000E+01 volume  0.76727E-03 ppm1      6.983 ppm2      2.104 CV     1
 OR {  418}
   (( segid "SH3 " and resid 53   and name HZ2 ))
   (( segid "SLP " and resid 84   and name HE2 ))
 ASSI {  434}
   (( segid "SH3 " and resid 34   and name HG1 ))
   (( segid "SLP " and resid 84   and name HE1 ))
      3.600     1.600     1.600 peak   434 weight  0.10000E+01 volume  0.11762E-02 ppm1      2.394 ppm2      1.568 CV     1
 OR {  434}
   (( segid "SH3 " and resid 33   and name HB1 ))
   (( segid "SLP " and resid 84   and name HE1 ))
 ASSI {  450}
   (( segid "SLP " and resid 78   and name HB1 ))
   (( segid "SLP " and resid 79   and name HB  ))
      4.300     2.300     1.700 peak   450 weight  0.10000E+01 volume  0.12572E-02 ppm1      3.680 ppm2      1.571 CV     1
 OR {  450}
   (( segid "SLP " and resid 78   and name HB2 ))
   (( segid "SLP " and resid 79   and name HB  ))
 OR {  450}
   (( segid "SH3 " and resid 52   and name HB1 ))
   (( segid "SLP " and resid 79   and name HB  ))
 ASSI {  462}
   (( segid "SH3 " and resid 52   and name HB1 ))
   (  segid "SLP " and resid 79   and name HG2%)
      3.800     1.800     1.800 peak   462 weight  0.10000E+01 volume  0.26491E-02 ppm1      3.692 ppm2      0.774 CV     1
 OR {  462}
   (( segid "SH3 " and resid 29   and name HA  ))
   (  segid "SLP " and resid 79   and name HG2%)
 ASSI {  474}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 78   and name HB2 ))
      3.900     1.900     1.900 peak   474 weight  0.10000E+01 volume  0.91503E-03 ppm1      6.612 ppm2      3.680 CV     1
 OR {  474}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 78   and name HB1 ))
 OR {  474}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 78   and name HB2 ))
 ASSI {  476}
   (( segid "SLP " and resid 76   and name HA  ))
   (( segid "SLP " and resid 78   and name HB2 ))
      3.800     1.800     1.800 peak   476 weight  0.10000E+01 volume  0.72040E-03 ppm1      2.956 ppm2      3.674 CV     1
 OR {  476}
   (( segid "SH3 " and resid 68   and name HB1 ))
   (( segid "SLP " and resid 78   and name HB1 ))
 OR {  476}
   (( segid "SH3 " and resid 68   and name HB1 ))
   (( segid "SLP " and resid 78   and name HB2 ))
 OR {  476}
   (( segid "SLP " and resid 76   and name HA  ))
   (( segid "SLP " and resid 78   and name HB1 ))
 ASSI {  490}
   (( segid "SLP " and resid 85   and name HD2 ))
   (( segid "SLP " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak   490 weight  0.10000E+01 volume  0.22670E-02 ppm1      3.445 ppm2      4.131 CV     1
 OR {  490}
   (( segid "SH3 " and resid 50   and name HB1 ))
   (( segid "SLP " and resid 85   and name HA  ))
 ASSI {  506}
   (( segid "SH3 " and resid 68   and name HB1 ))
   (( segid "SLP " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   506 weight  0.10000E+01 volume  0.17927E-02 ppm1      2.954 ppm2      3.831 CV     1
 OR {  506}
   (( segid "SLP " and resid 80   and name HB1 ))
   (( segid "SLP " and resid 79   and name HA  ))
 ASSI {  519}
   (( segid "SLP " and resid 79   and name HG11))
   (( segid "SLP " and resid 78   and name HA  ))
      2.500     2.500     3.500 peak   519 weight  0.10000E+01 volume  0.13066E-02 ppm1      0.462 ppm2      4.129 CV     1
 OR {  519}
   (  segid "SH3 " and resid 24   and name HD1%)
   (( segid "SLP " and resid 78   and name HA  ))
 ASSI {  525}
   (( segid "SLP " and resid 83   and name HN  ))
   (( segid "SLP " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   525 weight  0.10000E+01 volume  0.20909E-02 ppm1      6.987 ppm2      3.870 CV     1
 OR {  525}
   (( segid "SH3 " and resid 53   and name HZ2 ))
   (( segid "SLP " and resid 81   and name HA  ))
 ASSI {  546}
   (( segid "SH3 " and resid 68   and name HD21))
   (( segid "SLP " and resid 77   and name HB2 ))
      2.100     2.100     3.900 peak   546 weight  0.10000E+01 volume  0.78580E-02 ppm1      6.615 ppm2      2.126 CV     1
 OR {  546}
   (  segid "SH3 " and resid 69   and name HE% )
   (( segid "SLP " and resid 77   and name HB2 ))
 ASSI {  550}
   (( segid "SLP " and resid 76   and name HA  ))
   (( segid "SLP " and resid 77   and name HB2 ))
      4.000     2.000     2.000 peak   550 weight  0.10000E+01 volume  0.17108E-02 ppm1      2.962 ppm2      2.126 CV     1
 OR {  550}
   (( segid "SH3 " and resid 68   and name HB1 ))
   (( segid "SLP " and resid 77   and name HB2 ))
 ASSI {  553}
   (( segid "SH3 " and resid 66   and name HB2 ))
   (( segid "SLP " and resid 77   and name HB2 ))
      3.900     1.900     1.900 peak   553 weight  0.10000E+01 volume  0.17340E-02 ppm1      0.872 ppm2      2.124 CV     1
 OR {  553}
   (  segid "SLP " and resid 76   and name HB% )
   (( segid "SLP " and resid 77   and name HB2 ))
 ASSI {  562}
   (( segid "SH3 " and resid 53   and name HB2 ))
   (( segid "SLP " and resid 85   and name HB2 ))
      5.000     3.100     1.000 peak   562 weight  0.10000E+01 volume  0.10997E-02 ppm1      2.659 ppm2      2.025 CV     1
 OR {  562}
   (( segid "SH3 " and resid 50   and name HB2 ))
   (( segid "SLP " and resid 85   and name HB2 ))
 ASSI {  564}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SLP " and resid 85   and name HB2 ))
      3.600     1.600     1.600 peak   564 weight  0.10000E+01 volume  0.17760E-02 ppm1      1.062 ppm2      2.026 CV     1
 OR {  564}
   (( segid "SLP " and resid 84   and name HB2 ))
   (( segid "SLP " and resid 85   and name HB2 ))
 ASSI {  565}
   (  segid "SH3 " and resid 64   and name HD1%)
   (( segid "SLP " and resid 85   and name HB2 ))
      3.300     1.400     1.400 peak   565 weight  0.10000E+01 volume  0.24915E-02 ppm1      0.635 ppm2      2.027 CV     1
 OR {  565}
   (( segid "SLP " and resid 84   and name HB1 ))
   (( segid "SLP " and resid 85   and name HB2 ))
 ASSI {  579}
   (( segid "SLP " and resid 86   and name HA  ))
   (( segid "SLP " and resid 85   and name HB1 ))
      2.700     2.700     3.300 peak   579 weight  0.10000E+01 volume  0.15252E-02 ppm1      3.880 ppm2      1.779 CV     1
 OR {  579}
   (( segid "SH3 " and resid 63   and name HA2 ))
   (( segid "SLP " and resid 85   and name HB1 ))
 OR {  579}
   (( segid "SLP " and resid 81   and name HA  ))
   (( segid "SLP " and resid 85   and name HB1 ))
 ASSI {  580}
   (( segid "SLP " and resid 85   and name HD2 ))
   (( segid "SLP " and resid 85   and name HB1 ))
      3.300     1.400     1.400 peak   580 weight  0.10000E+01 volume  0.45723E-02 ppm1      3.439 ppm2      1.780 CV     1
 OR {  580}
   (( segid "SH3 " and resid 50   and name HB1 ))
   (( segid "SLP " and resid 85   and name HB1 ))
 ASSI {  585}
   (  segid "SH3 " and resid 55   and name HG2%)
   (( segid "SLP " and resid 85   and name HB1 ))
      3.600     1.600     1.600 peak   585 weight  0.10000E+01 volume  0.23044E-02 ppm1      1.064 ppm2      1.779 CV     1
 OR {  585}
   (( segid "SLP " and resid 84   and name HB2 ))
   (( segid "SLP " and resid 85   and name HB1 ))
 ASSI {  586}
   (  segid "SH3 " and resid 64   and name HD1%)
   (( segid "SLP " and resid 85   and name HB1 ))
      3.700     1.800     1.800 peak   586 weight  0.10000E+01 volume  0.34419E-02 ppm1      0.629 ppm2      1.779 CV     1
 OR {  586}
   (( segid "SLP " and resid 84   and name HB1 ))
   (( segid "SLP " and resid 85   and name HB1 ))
 ASSI {  596}
   (( segid "SH3 " and resid 68   and name HB1 ))
   (( segid "SLP " and resid 77   and name HB1 ))
      4.100     2.100     1.900 peak   596 weight  0.10000E+01 volume  0.12811E-02 ppm1      2.961 ppm2      1.528 CV     1
 OR {  596}
   (( segid "SLP " and resid 76   and name HA  ))
   (( segid "SLP " and resid 77   and name HB1 ))
 ASSI {  599}
   (( segid "SH3 " and resid 66   and name HB2 ))
   (( segid "SLP " and resid 77   and name HB1 ))
      4.400     2.400     1.600 peak   599 weight  0.10000E+01 volume  0.14082E-02 ppm1      0.870 ppm2      1.524 CV     1
 OR {  599}
   (  segid "SLP " and resid 76   and name HB% )
   (( segid "SLP " and resid 77   and name HB1 ))
 ASSI {  610}
   (  segid "SH3 " and resid 30   and name HD1%)
   (( segid "SLP " and resid 81   and name HG1 ))
      4.300     2.300     1.700 peak   610 weight  0.10000E+01 volume  0.67031E-03 ppm1      0.550 ppm2      1.179 CV     1
 OR {  610}
   (( segid "SLP " and resid 84   and name HD1 ))
   (( segid "SLP " and resid 81   and name HG1 ))
 ASSI {  642}
   (( segid "SLP " and resid 78   and name HB2 ))
   (( segid "SLP " and resid 77   and name HB1 ))
      3.000     3.000     3.000 peak   642 weight  0.10000E+01 volume  0.54768E-03 ppm1      3.681 ppm2      1.532 CV     1
 OR {  642}
   (( segid "SLP " and resid 78   and name HB1 ))
   (( segid "SLP " and resid 77   and name HB1 ))
 OR {  642}
   (( segid "SH3 " and resid 52   and name HB1 ))
   (( segid "SLP " and resid 77   and name HB1 ))
 ASSI {  669}
   (( segid "SLP " and resid 84   and name HB1 ))
   (( segid "SLP " and resid 84   and name HG1 ))
      3.500     1.600     1.600 peak   669 weight  0.10000E+01 volume  0.20134E-02 ppm1      0.630 ppm2     -0.876 CV     1
 OR {  669}
   (  segid "SH3 " and resid 64   and name HD1%)
   (( segid "SLP " and resid 84   and name HG1 ))
 ASSI {  670}
   (( segid "SLP " and resid 84   and name HB1 ))
   (( segid "SLP " and resid 84   and name HG2 ))
      2.700     0.900     0.900 peak   670 weight  0.10000E+01 volume  0.19248E-02 ppm1      0.632 ppm2     -0.165 CV     1
 OR {  670}
   (  segid "SH3 " and resid 64   and name HD1%)
   (( segid "SLP " and resid 84   and name HG2 ))
 ASSI {  676}
   (  segid "SH3 " and resid 30   and name HD2%)
   (( segid "SLP " and resid 81   and name HD2 ))
      2.600     2.600     3.400 peak   676 weight  0.10000E+01 volume  0.10900E-02 ppm1      0.715 ppm2      3.155 CV     1
 OR {  676}
   (( segid "SH3 " and resid 35   and name HB1 ))
   (( segid "SLP " and resid 81   and name HD2 ))
 ASSI {  732}
   (( segid "SLP " and resid 78   and name HN  ))
   (( segid "SLP " and resid 78   and name HB2 ))
      2.100     0.600     0.600 peak   732 weight  0.10000E+01 volume  0.26620E-01 ppm1      8.609 ppm2      3.678 CV     1
 OR {  732}
   (( segid "SLP " and resid 78   and name HN  ))
   (( segid "SLP " and resid 78   and name HB1 ))
 OR {  732}
   (( segid "SLP " and resid 79   and name HN  ))
   (( segid "SLP " and resid 78   and name HB2 ))
  Entry H atom name         Submitted Coord H atom name
    1    H1   GLY  16           H1       GLY  16 -13.198  -9.480   9.873
    2    H2   GLY  16           H2       GLY  16 -14.660  -8.671  10.129
    3    H3   GLY  16           H3       GLY  16 -14.647 -10.165   9.334
    4   1HA   GLY  16          1HA       GLY  16 -13.928  -7.511   8.331
    5   2HA   GLY  16          2HA       GLY  16 -14.834  -8.791   7.542
    6    H    ARG  17           H        ARG  17 -13.065  -7.646   5.989
    7    HA   ARG  17           HA       ARG  17 -10.568  -9.155   6.138
    8   1HB   ARG  17          1HB       ARG  17 -12.706  -9.534   4.141
    9   2HB   ARG  17          2HB       ARG  17 -11.077  -9.399   3.490
   10   1HG   ARG  17          1HG       ARG  17 -10.482 -11.414   4.237
   11   2HG   ARG  17          2HG       ARG  17 -11.269 -11.165   5.798
   12   1HD   ARG  17          1HD       ARG  17 -12.781 -12.660   5.105
   13   2HD   ARG  17          2HD       ARG  17 -13.389 -11.383   4.053
   14    HE   ARG  17           HE       ARG  17 -11.742 -13.657   3.274
   15   1HH1  ARG  17          1HH1      ARG  17 -13.298 -10.668   2.384
   16   2HH1  ARG  17          2HH1      ARG  17 -13.191 -10.971   0.682
   17   1HH2  ARG  17          1HH2      ARG  17 -11.600 -14.062   1.035
   18   2HH2  ARG  17          2HH2      ARG  17 -12.227 -12.898  -0.084
   19    H    VAL  18           H        VAL  18  -9.309  -7.413   6.377
   20    HA   VAL  18           HA       VAL  18  -9.624  -4.959   4.999
   21    HB   VAL  18           HB       VAL  18  -7.175  -4.614   5.694
   22   1HG1  VAL  18          1HG1      VAL  18  -9.493  -5.025   7.533
   23   2HG1  VAL  18          2HG1      VAL  18  -7.917  -4.582   8.190
   24   3HG1  VAL  18          3HG1      VAL  18  -8.716  -3.526   7.025
   25   1HG2  VAL  18          1HG2      VAL  18  -6.812  -7.133   5.877
   26   2HG2  VAL  18          2HG2      VAL  18  -6.173  -6.133   7.181
   27   3HG2  VAL  18          3HG2      VAL  18  -7.675  -7.028   7.411
   28    H    ARG  19           H        ARG  19  -9.014  -4.352   3.008
   29    HA   ARG  19           HA       ARG  19  -6.799  -5.612   1.657
   30   1HB   ARG  19          1HB       ARG  19  -8.368  -6.097  -0.367
   31   2HB   ARG  19          2HB       ARG  19  -8.264  -7.262   0.947
   32   1HG   ARG  19          1HG       ARG  19 -10.309  -6.220   1.928
   33   2HG   ARG  19          2HG       ARG  19 -10.442  -5.244   0.466
   34   1HD   ARG  19          1HD       ARG  19 -11.465  -7.811   0.900
   35   2HD   ARG  19          2HD       ARG  19 -11.431  -6.912  -0.615
   36    HE   ARG  19           HE       ARG  19  -9.144  -8.588   0.154
   37   1HH1  ARG  19          1HH1      ARG  19 -11.767  -7.837  -2.011
   38   2HH1  ARG  19          2HH1      ARG  19 -11.241  -8.938  -3.240
   39   1HH2  ARG  19          1HH2      ARG  19  -8.443 -10.044  -1.459
   40   2HH2  ARG  19          2HH2      ARG  19  -9.352 -10.193  -2.926
   41    H    TRP  20           H        TRP  20  -7.326  -2.944   2.479
   42    HA   TRP  20           HA       TRP  20  -7.190  -1.615  -0.117
   43   1HB   TRP  20          1HB       TRP  20  -8.967  -0.723   2.163
   44   2HB   TRP  20          2HB       TRP  20  -8.621   0.241   0.730
   45    HD1  TRP  20           HD1      TRP  20 -10.350  -3.042   1.755
   46    HE1  TRP  20           HE1      TRP  20 -12.101  -3.623  -0.054
   47    HE3  TRP  20           HE3      TRP  20  -9.336   0.687  -1.590
   48    HZ2  TRP  20           HZ2      TRP  20 -12.919  -2.625  -2.570
   49    HZ3  TRP  20           HZ3      TRP  20 -10.647   0.807  -3.667
   50    HH2  TRP  20           HH2      TRP  20 -12.407  -0.816  -4.144
   51    H    ALA  21           H        ALA  21  -6.115   0.486  -0.019
   52    HA   ALA  21           HA       ALA  21  -4.472   0.787   2.397
   53   1HB   ALA  21          1HB       ALA  21  -2.548   0.872   1.209
   54   2HB   ALA  21          2HB       ALA  21  -3.312   1.648  -0.178
   55   3HB   ALA  21          3HB       ALA  21  -3.474  -0.092   0.060
   56    H    ARG  22           H        ARG  22  -5.340   2.552   3.345
   57    HA   ARG  22           HA       ARG  22  -5.889   4.874   1.632
   58   1HB   ARG  22          1HB       ARG  22  -7.844   4.600   2.811
   59   2HB   ARG  22          2HB       ARG  22  -7.034   3.945   4.230
   60   1HG   ARG  22          1HG       ARG  22  -6.097   6.458   4.301
   61   2HG   ARG  22          2HG       ARG  22  -7.642   6.739   3.495
   62   1HD   ARG  22          1HD       ARG  22  -8.784   5.546   5.321
   63   2HD   ARG  22          2HD       ARG  22  -7.234   5.333   6.133
   64    HE   ARG  22           HE       ARG  22  -7.694   8.071   5.593
   65   1HH1  ARG  22          1HH1      ARG  22  -8.734   5.486   7.688
   66   2HH1  ARG  22          2HH1      ARG  22  -9.156   6.543   8.994
   67   1HH2  ARG  22          1HH2      ARG  22  -8.248   9.467   7.310
   68   2HH2  ARG  22          2HH2      ARG  22  -8.881   8.803   8.779
   69    H    ALA  23           H        ALA  23  -4.216   6.114   1.458
   70    HA   ALA  23           HA       ALA  23  -2.151   6.213   3.445
   71   1HB   ALA  23          1HB       ALA  23  -1.072   6.509   1.513
   72   2HB   ALA  23          2HB       ALA  23  -1.533   8.202   1.689
   73   3HB   ALA  23          3HB       ALA  23  -2.509   7.121   0.693
   74    H    LEU  24           H        LEU  24  -2.135   7.433   5.160
   75    HA   LEU  24           HA       LEU  24  -3.867   9.767   5.362
   76   1HB   LEU  24          1HB       LEU  24  -1.972   8.963   7.523
   77   2HB   LEU  24          2HB       LEU  24  -3.589   9.630   7.655
   78    HG   LEU  24           HG       LEU  24  -3.127   6.835   6.651
   79   1HD1  LEU  24          1HD1      LEU  24  -2.033   7.137   8.869
   80   2HD1  LEU  24          2HD1      LEU  24  -3.602   7.605   9.524
   81   3HD1  LEU  24          3HD1      LEU  24  -3.367   5.984   8.870
   82   1HD2  LEU  24          1HD2      LEU  24  -5.408   8.527   7.246
   83   2HD2  LEU  24          2HD2      LEU  24  -5.325   7.012   6.347
   84   3HD2  LEU  24          3HD2      LEU  24  -5.472   6.987   8.104
   85    H    TYR  25           H        TYR  25  -0.713   8.888   4.612
   86    HA   TYR  25           HA       TYR  25   0.160  11.682   4.532
   87   1HB   TYR  25          1HB       TYR  25   2.165   9.577   5.245
   88   2HB   TYR  25          2HB       TYR  25   2.186  11.301   5.597
   89    HD1  TYR  25           HD1      TYR  25   0.590  12.170   7.385
   90    HD2  TYR  25           HD2      TYR  25   1.431   8.032   6.851
   91    HE1  TYR  25           HE1      TYR  25  -0.208  11.720   9.667
   92    HE2  TYR  25           HE2      TYR  25   0.635   7.572   9.132
   93    HH   TYR  25           HH       TYR  25  -0.179   8.429  11.008
   94    H    ASP  26           H        ASP  26   2.406  11.640   3.239
   95    HA   ASP  26           HA       ASP  26   1.860  10.981   0.618
   96   1HB   ASP  26          1HB       ASP  26   3.812  12.380   1.762
   97   2HB   ASP  26          2HB       ASP  26   4.708  10.887   1.494
   98    H    PHE  27           H        PHE  27   3.668   9.532  -0.625
   99    HA   PHE  27           HA       PHE  27   3.176   6.822   0.372
  100   1HB   PHE  27          1HB       PHE  27   3.382   6.081  -1.879
  101   2HB   PHE  27          2HB       PHE  27   2.394   7.540  -1.912
  102    HD1  PHE  27           HD1      PHE  27   5.549   6.021  -2.882
  103    HD2  PHE  27           HD2      PHE  27   3.288   9.628  -2.795
  104    HE1  PHE  27           HE1      PHE  27   7.079   7.023  -4.534
  105    HE2  PHE  27           HE2      PHE  27   4.813  10.633  -4.445
  106    HZ   PHE  27           HZ       PHE  27   6.711   9.329  -5.317
  107    H    GLU  28           H        GLU  28   4.764   5.259   0.501
  108    HA   GLU  28           HA       GLU  28   7.498   6.284   0.766
  109   1HB   GLU  28          1HB       GLU  28   6.345   3.648   1.685
  110   2HB   GLU  28          2HB       GLU  28   7.938   4.283   2.075
  111   1HG   GLU  28          1HG       GLU  28   5.945   6.192   2.804
  112   2HG   GLU  28          2HG       GLU  28   5.541   4.620   3.488
  113    H    ALA  29           H        ALA  29   5.870   5.126  -1.711
  114    HA   ALA  29           HA       ALA  29   7.378   2.856  -2.519
  115   1HB   ALA  29          1HB       ALA  29   6.430   3.947  -4.856
  116   2HB   ALA  29          2HB       ALA  29   5.573   2.796  -3.830
  117   3HB   ALA  29          3HB       ALA  29   5.280   4.526  -3.652
  118    H    LEU  30           H        LEU  30   9.530   3.054  -2.651
  119    HA   LEU  30           HA       LEU  30  10.649   5.347  -4.108
  120   1HB   LEU  30          1HB       LEU  30  12.353   3.403  -2.616
  121   2HB   LEU  30          2HB       LEU  30  12.610   5.112  -2.909
  122    HG   LEU  30           HG       LEU  30  10.510   4.050  -1.023
  123   1HD1  LEU  30          1HD1      LEU  30  13.280   3.959  -0.671
  124   2HD1  LEU  30          2HD1      LEU  30  12.730   5.356   0.254
  125   3HD1  LEU  30          3HD1      LEU  30  12.034   3.766   0.563
  126   1HD2  LEU  30          1HD2      LEU  30  11.578   6.771  -1.686
  127   2HD2  LEU  30          2HD2      LEU  30   9.904   6.218  -1.622
  128   3HD2  LEU  30          3HD2      LEU  30  10.817   6.439  -0.130
  129    H    GLU  31           H        GLU  31   9.911   2.076  -4.398
  130    HA   GLU  31           HA       GLU  31  11.986   1.563  -6.400
  131   1HB   GLU  31          1HB       GLU  31   9.953  -0.193  -5.040
  132   2HB   GLU  31          2HB       GLU  31  10.871  -0.745  -6.432
  133   1HG   GLU  31          1HG       GLU  31  12.310   0.387  -4.083
  134   2HG   GLU  31          2HG       GLU  31  11.687  -1.261  -4.017
  135    H    GLU  32           H        GLU  32  11.192   0.318  -8.394
  136    HA   GLU  32           HA       GLU  32   9.175   1.962  -9.667
  137   1HB   GLU  32          1HB       GLU  32   9.844   0.720 -11.729
  138   2HB   GLU  32          2HB       GLU  32  11.170   1.560 -10.938
  139   1HG   GLU  32          1HG       GLU  32  11.058  -1.052  -9.866
  140   2HG   GLU  32          2HG       GLU  32  10.947  -1.186 -11.620
  141    H    ASP  33           H        ASP  33   9.589  -1.353  -8.603
  142    HA   ASP  33           HA       ASP  33   7.184  -2.309  -9.855
  143   1HB   ASP  33          1HB       ASP  33   7.689  -4.193  -7.991
  144   2HB   ASP  33          2HB       ASP  33   8.516  -4.130  -9.546
  145    H    GLU  34           H        GLU  34   7.453  -0.110  -7.577
  146    HA   GLU  34           HA       GLU  34   5.351  -1.196  -5.845
  147   1HB   GLU  34          1HB       GLU  34   7.414   0.947  -5.463
  148   2HB   GLU  34          2HB       GLU  34   5.976   0.900  -4.452
  149   1HG   GLU  34          1HG       GLU  34   6.572  -1.130  -3.486
  150   2HG   GLU  34          2HG       GLU  34   7.714  -1.514  -4.772
  151    H    LEU  35           H        LEU  35   4.096   0.868  -4.870
  152    HA   LEU  35           HA       LEU  35   3.146   2.519  -7.098
  153   1HB   LEU  35          1HB       LEU  35   1.527   0.825  -7.064
  154   2HB   LEU  35          2HB       LEU  35   1.552   0.710  -5.315
  155    HG   LEU  35           HG       LEU  35   0.617   3.203  -5.520
  156   1HD1  LEU  35          1HD1      LEU  35   0.726   2.584  -8.156
  157   2HD1  LEU  35          2HD1      LEU  35  -0.925   2.104  -7.765
  158   3HD1  LEU  35          3HD1      LEU  35  -0.388   3.755  -7.451
  159   1HD2  LEU  35          1HD2      LEU  35  -0.682   0.538  -5.468
  160   2HD2  LEU  35          2HD2      LEU  35  -0.701   1.833  -4.272
  161   3HD2  LEU  35          3HD2      LEU  35  -1.717   1.945  -5.708
  162    H    GLY  36           H        GLY  36   2.589   4.594  -6.532
  163   1HA   GLY  36          1HA       GLY  36   3.462   6.301  -5.002
  164   2HA   GLY  36          2HA       GLY  36   2.960   5.258  -3.685
  165    H    PHE  37           H        PHE  37   1.460   6.304  -2.621
  166    HA   PHE  37           HA       PHE  37  -0.790   7.478  -4.115
  167   1HB   PHE  37          1HB       PHE  37  -1.805   7.109  -1.628
  168   2HB   PHE  37          2HB       PHE  37  -1.991   5.953  -2.940
  169    HD1  PHE  37           HD1      PHE  37  -1.706   3.788  -2.296
  170    HD2  PHE  37           HD2      PHE  37   0.666   6.798  -0.449
  171    HE1  PHE  37           HE1      PHE  37  -0.602   2.072  -0.926
  172    HE2  PHE  37           HE2      PHE  37   1.777   5.087   0.923
  173    HZ   PHE  37           HZ       PHE  37   1.142   2.720   0.687
  174    H    ARG  38           H        ARG  38  -2.011   9.040  -2.437
  175    HA   ARG  38           HA       ARG  38   0.034  10.706  -1.146
  176   1HB   ARG  38          1HB       ARG  38  -2.170  11.654  -2.973
  177   2HB   ARG  38          2HB       ARG  38  -1.171  12.719  -1.990
  178   1HG   ARG  38          1HG       ARG  38   0.112  12.827  -3.826
  179   2HG   ARG  38          2HG       ARG  38   0.733  11.281  -3.255
  180   1HD   ARG  38          1HD       ARG  38  -1.381  10.401  -4.621
  181   2HD   ARG  38          2HD       ARG  38  -1.069  11.883  -5.524
  182    HE   ARG  38           HE       ARG  38   1.042   9.880  -5.081
  183   1HH1  ARG  38          1HH1      ARG  38  -0.861  11.886  -7.205
  184   2HH1  ARG  38          2HH1      ARG  38   0.074  11.502  -8.611
  185   1HH2  ARG  38          1HH2      ARG  38   2.274   9.371  -6.928
  186   2HH2  ARG  38          2HH2      ARG  38   1.853  10.073  -8.455
  187    H    SER  39           H        SER  39  -1.113  12.521   0.167
  188    HA   SER  39           HA       SER  39  -2.362  11.400   2.339
  189   1HB   SER  39          1HB       SER  39  -2.989  13.687   2.995
  190   2HB   SER  39          2HB       SER  39  -1.342  13.634   2.364
  191    HG   SER  39           HG       SER  39  -3.209  15.219   1.568
  192    H    GLY  40           H        GLY  40  -4.387  10.928   2.960
  193   1HA   GLY  40          1HA       GLY  40  -6.771  11.984   2.027
  194   2HA   GLY  40          2HA       GLY  40  -6.609  10.406   2.775
  195    H    GLU  41           H        GLU  41  -5.429   8.801   1.094
  196    HA   GLU  41           HA       GLU  41  -7.062   8.972  -1.348
  197   1HB   GLU  41          1HB       GLU  41  -4.170   8.197  -1.069
  198   2HB   GLU  41          2HB       GLU  41  -5.132   7.677  -2.446
  199   1HG   GLU  41          1HG       GLU  41  -4.798  10.559  -1.660
  200   2HG   GLU  41          2HG       GLU  41  -3.739   9.728  -2.794
  201    H    VAL  42           H        VAL  42  -7.810   7.026  -2.229
  202    HA   VAL  42           HA       VAL  42  -7.787   4.771  -0.333
  203    HB   VAL  42           HB       VAL  42  -9.870   5.440  -2.421
  204   1HG1  VAL  42          1HG1      VAL  42  -9.608   3.025  -1.977
  205   2HG1  VAL  42          2HG1      VAL  42  -9.913   3.329  -0.267
  206   3HG1  VAL  42          3HG1      VAL  42 -11.174   3.647  -1.459
  207   1HG2  VAL  42          1HG2      VAL  42  -9.886   7.027  -0.565
  208   2HG2  VAL  42          2HG2      VAL  42 -11.313   5.991  -0.526
  209   3HG2  VAL  42          3HG2      VAL  42  -9.976   5.692   0.584
  210    H    VAL  43           H        VAL  43  -6.984   2.865  -0.975
  211    HA   VAL  43           HA       VAL  43  -6.521   2.431  -3.854
  212    HB   VAL  43           HB       VAL  43  -4.606   1.636  -1.656
  213   1HG1  VAL  43          1HG1      VAL  43  -4.827   0.999  -4.494
  214   2HG1  VAL  43          2HG1      VAL  43  -3.241   1.616  -4.031
  215   3HG1  VAL  43          3HG1      VAL  43  -3.908   0.200  -3.219
  216   1HG2  VAL  43          1HG2      VAL  43  -4.998   4.181  -2.699
  217   2HG2  VAL  43          2HG2      VAL  43  -3.589   3.608  -1.807
  218   3HG2  VAL  43          3HG2      VAL  43  -3.598   3.554  -3.569
  219    H    GLU  44           H        GLU  44  -6.815   0.355  -4.615
  220    HA   GLU  44           HA       GLU  44  -8.196  -1.470  -2.790
  221   1HB   GLU  44          1HB       GLU  44  -9.098  -0.802  -5.096
  222   2HB   GLU  44          2HB       GLU  44  -7.849  -1.844  -5.760
  223   1HG   GLU  44          1HG       GLU  44  -8.784  -3.736  -4.502
  224   2HG   GLU  44          2HG       GLU  44 -10.063  -2.681  -3.903
  225    H    VAL  45           H        VAL  45  -6.964  -2.908  -1.758
  226    HA   VAL  45           HA       VAL  45  -4.378  -3.673  -2.764
  227    HB   VAL  45           HB       VAL  45  -5.887  -4.617  -0.327
  228   1HG1  VAL  45          1HG1      VAL  45  -3.279  -5.421  -1.489
  229   2HG1  VAL  45          2HG1      VAL  45  -3.371  -5.232   0.262
  230   3HG1  VAL  45          3HG1      VAL  45  -4.446  -6.363  -0.561
  231   1HG2  VAL  45          1HG2      VAL  45  -4.210  -2.309  -0.905
  232   2HG2  VAL  45          2HG2      VAL  45  -5.297  -2.609   0.451
  233   3HG2  VAL  45          3HG2      VAL  45  -3.649  -3.237   0.486
  234    H    LEU  46           H        LEU  46  -3.772  -5.566  -3.670
  235    HA   LEU  46           HA       LEU  46  -5.927  -7.409  -4.419
  236   1HB   LEU  46          1HB       LEU  46  -3.613  -6.333  -5.772
  237   2HB   LEU  46          2HB       LEU  46  -3.599  -8.086  -5.819
  238    HG   LEU  46           HG       LEU  46  -6.122  -6.683  -6.559
  239   1HD1  LEU  46          1HD1      LEU  46  -3.574  -6.331  -7.920
  240   2HD1  LEU  46          2HD1      LEU  46  -4.830  -6.999  -8.963
  241   3HD1  LEU  46          3HD1      LEU  46  -5.100  -5.470  -8.127
  242   1HD2  LEU  46          1HD2      LEU  46  -4.906  -9.311  -6.827
  243   2HD2  LEU  46          2HD2      LEU  46  -6.601  -8.833  -6.921
  244   3HD2  LEU  46          3HD2      LEU  46  -5.569  -8.707  -8.345
  245    H    ASP  47           H        ASP  47  -3.007  -7.188  -2.574
  246    HA   ASP  47           HA       ASP  47  -3.418  -9.888  -1.607
  247   1HB   ASP  47          1HB       ASP  47  -1.579  -9.497  -3.655
  248   2HB   ASP  47          2HB       ASP  47  -0.592  -9.538  -2.198
  249    H    SER  48           H        SER  48  -3.820  -9.041   0.404
  250    HA   SER  48           HA       SER  48  -1.876  -7.297   1.697
  251   1HB   SER  48          1HB       SER  48  -3.544  -7.751   3.681
  252   2HB   SER  48          2HB       SER  48  -4.015  -6.679   2.362
  253    HG   SER  48           HG       SER  48  -4.577  -9.353   1.967
  254    H    SER  49           H        SER  49  -1.766 -10.430   1.006
  255    HA   SER  49           HA       SER  49  -1.085 -11.419   3.626
  256   1HB   SER  49          1HB       SER  49  -0.901 -12.545   0.836
  257   2HB   SER  49          2HB       SER  49  -0.116 -13.358   2.189
  258    HG   SER  49           HG       SER  49  -2.600 -13.601   1.471
  259    H    ASN  50           H        ASN  50   0.631 -10.761   4.574
  260    HA   ASN  50           HA       ASN  50   3.241 -11.148   4.040
  261   1HB   ASN  50          1HB       ASN  50   2.191  -8.909   2.479
  262   2HB   ASN  50          2HB       ASN  50   3.596  -8.475   3.446
  263   1HD2  ASN  50          1HD2      ASN  50   2.933  -9.020   0.496
  264   2HD2  ASN  50          2HD2      ASN  50   4.243 -10.010  -0.029
  265    HA   PRO  51           HA       PRO  51   3.133  -9.090   7.960
  266   1HB   PRO  51          1HB       PRO  51   5.688  -9.263   8.701
  267   2HB   PRO  51          2HB       PRO  51   4.716 -10.715   8.436
  268   1HG   PRO  51          1HG       PRO  51   6.816  -9.502   6.711
  269   2HG   PRO  51          2HG       PRO  51   6.399 -11.207   6.945
  270   1HD   PRO  51          1HD       PRO  51   5.578  -9.536   4.813
  271   2HD   PRO  51          2HD       PRO  51   4.974 -11.162   5.182
  272    H    SER  52           H        SER  52   4.043  -7.379   5.366
  273    HA   SER  52           HA       SER  52   4.208  -4.938   6.798
  274   1HB   SER  52          1HB       SER  52   6.742  -6.242   6.017
  275   2HB   SER  52          2HB       SER  52   6.612  -4.525   5.635
  276    HG   SER  52           HG       SER  52   6.677  -4.056   7.695
  277    H    TRP  53           H        TRP  53   5.626  -6.132   3.736
  278    HA   TRP  53           HA       TRP  53   4.331  -3.907   2.350
  279   1HB   TRP  53          1HB       TRP  53   6.628  -5.715   1.752
  280   2HB   TRP  53          2HB       TRP  53   5.773  -4.975   0.405
  281    HD1  TRP  53           HD1      TRP  53   7.971  -4.068   3.412
  282    HE1  TRP  53           HE1      TRP  53   8.915  -1.702   3.047
  283    HE3  TRP  53           HE3      TRP  53   5.340  -2.784  -0.777
  284    HZ2  TRP  53           HZ2      TRP  53   8.587   0.427   1.222
  285    HZ3  TRP  53           HZ3      TRP  53   5.713  -0.563  -1.768
  286    HH2  TRP  53           HH2      TRP  53   7.303   1.007  -0.788
  287    H    TRP  54           H        TRP  54   2.454  -4.191   1.341
  288    HA   TRP  54           HA       TRP  54   1.767  -6.900   0.397
  289   1HB   TRP  54          1HB       TRP  54  -0.184  -4.648   0.919
  290   2HB   TRP  54          2HB       TRP  54  -0.556  -6.327   0.550
  291    HD1  TRP  54           HD1      TRP  54   1.757  -7.292   2.802
  292    HE1  TRP  54           HE1      TRP  54   0.936  -7.375   5.231
  293    HE3  TRP  54           HE3      TRP  54  -2.294  -4.213   2.392
  294    HZ2  TRP  54           HZ2      TRP  54  -1.137  -6.258   6.789
  295    HZ3  TRP  54           HZ3      TRP  54  -3.643  -3.765   4.401
  296    HH2  TRP  54           HH2      TRP  54  -3.075  -4.769   6.553
  297    H    THR  55           H        THR  55   0.877  -7.152  -1.673
  298    HA   THR  55           HA       THR  55   1.640  -5.054  -3.552
  299    HB   THR  55           HB       THR  55   0.679  -7.876  -4.077
  300    HG1  THR  55           HG1      THR  55   2.731  -7.898  -3.156
  301   1HG2  THR  55          1HG2      THR  55   0.917  -5.625  -5.815
  302   2HG2  THR  55          2HG2      THR  55   2.160  -6.802  -6.240
  303   3HG2  THR  55          3HG2      THR  55   0.464  -7.283  -6.213
  304    H    GLY  56           H        GLY  56   0.193  -3.612  -4.230
  305   1HA   GLY  56          1HA       GLY  56  -2.295  -3.087  -3.638
  306   2HA   GLY  56          2HA       GLY  56  -2.578  -4.472  -4.685
  307    H    ARG  57           H        ARG  57  -3.707  -2.051  -5.338
  308    HA   ARG  57           HA       ARG  57  -1.976  -0.727  -7.251
  309   1HB   ARG  57          1HB       ARG  57  -3.557  -1.127  -9.148
  310   2HB   ARG  57          2HB       ARG  57  -2.684  -2.560  -8.609
  311   1HG   ARG  57          1HG       ARG  57  -4.560  -3.588  -7.866
  312   2HG   ARG  57          2HG       ARG  57  -5.335  -2.074  -7.393
  313   1HD   ARG  57          1HD       ARG  57  -6.049  -1.621  -9.567
  314   2HD   ARG  57          2HD       ARG  57  -4.895  -2.747 -10.280
  315    HE   ARG  57           HE       ARG  57  -7.317  -3.543  -8.800
  316   1HH1  ARG  57          1HH1      ARG  57  -4.880  -4.120 -11.223
  317   2HH1  ARG  57          2HH1      ARG  57  -5.594  -5.598 -11.773
  318   1HH2  ARG  57          1HH2      ARG  57  -8.262  -5.488  -9.515
  319   2HH2  ARG  57          2HH2      ARG  57  -7.517  -6.376 -10.802
  320    H    LEU  58           H        LEU  58  -2.510   1.335  -7.601
  321    HA   LEU  58           HA       LEU  58  -4.915   2.368  -6.275
  322   1HB   LEU  58          1HB       LEU  58  -2.642   3.283  -5.713
  323   2HB   LEU  58          2HB       LEU  58  -2.537   3.888  -7.353
  324    HG   LEU  58           HG       LEU  58  -4.832   4.725  -5.620
  325   1HD1  LEU  58          1HD1      LEU  58  -2.031   5.283  -5.128
  326   2HD1  LEU  58          2HD1      LEU  58  -2.974   6.748  -5.402
  327   3HD1  LEU  58          3HD1      LEU  58  -3.446   5.621  -4.131
  328   1HD2  LEU  58          1HD2      LEU  58  -3.866   5.343  -8.216
  329   2HD2  LEU  58          2HD2      LEU  58  -5.270   6.006  -7.378
  330   3HD2  LEU  58          3HD2      LEU  58  -3.695   6.782  -7.210
  331    H    HIS  59           H        HIS  59  -6.629   2.641  -7.546
  332    HA   HIS  59           HA       HIS  59  -7.950   3.218  -9.303
  333   1HB   HIS  59          1HB       HIS  59  -5.543   4.905  -9.716
  334   2HB   HIS  59          2HB       HIS  59  -6.612   4.711 -11.101
  335    HD1  HIS  59           HD1      HIS  59  -9.342   4.832  -9.767
  336    HD2  HIS  59           HD2      HIS  59  -6.197   7.363  -8.780
  337    HE1  HIS  59           HE1      HIS  59 -10.411   6.869  -8.752
  338    HE2  HIS  59           HE2      HIS  59  -8.493   8.410  -8.211
  339    H    ASN  60           H        ASN  60  -4.983   3.238 -11.226
  340    HA   ASN  60           HA       ASN  60  -5.703   0.629 -12.349
  341   1HB   ASN  60          1HB       ASN  60  -5.740   3.223 -13.744
  342   2HB   ASN  60          2HB       ASN  60  -4.869   1.951 -14.592
  343   1HD2  ASN  60          1HD2      ASN  60  -7.520   3.387 -14.932
  344   2HD2  ASN  60          2HD2      ASN  60  -8.644   2.107 -15.202
  345    H    LYS  61           H        LYS  61  -3.458   2.247 -10.786
  346    HA   LYS  61           HA       LYS  61  -1.167   1.285 -12.346
  347   1HB   LYS  61          1HB       LYS  61  -1.244   3.087  -9.916
  348   2HB   LYS  61          2HB       LYS  61   0.198   2.654 -10.823
  349   1HG   LYS  61          1HG       LYS  61  -0.701   3.787 -12.793
  350   2HG   LYS  61          2HG       LYS  61  -2.143   4.227 -11.876
  351   1HD   LYS  61          1HD       LYS  61  -0.815   6.138 -11.746
  352   2HD   LYS  61          2HD       LYS  61  -0.494   5.312 -10.219
  353   1HE   LYS  61          1HE       LYS  61   1.670   5.491 -10.736
  354   2HE   LYS  61          2HE       LYS  61   1.375   4.233 -11.937
  355   1HZ   LYS  61          1HZ       LYS  61   0.913   5.965 -13.569
  356   2HZ   LYS  61          2HZ       LYS  61   1.234   7.161 -12.415
  357   3HZ   LYS  61          3HZ       LYS  61   2.471   6.129 -12.930
  358    H    LEU  62           H        LEU  62  -0.063  -0.485 -11.713
  359    HA   LEU  62           HA       LEU  62  -0.850  -1.712  -9.166
  360   1HB   LEU  62          1HB       LEU  62   0.677  -3.051 -11.383
  361   2HB   LEU  62          2HB       LEU  62  -0.201  -3.804 -10.066
  362    HG   LEU  62           HG       LEU  62  -2.037  -2.219 -11.570
  363   1HD1  LEU  62          1HD1      LEU  62   0.037  -3.092 -13.207
  364   2HD1  LEU  62          2HD1      LEU  62  -1.262  -4.259 -13.454
  365   3HD1  LEU  62          3HD1      LEU  62  -1.560  -2.540 -13.714
  366   1HD2  LEU  62          1HD2      LEU  62  -1.977  -4.618 -10.235
  367   2HD2  LEU  62          2HD2      LEU  62  -3.326  -4.004 -11.192
  368   3HD2  LEU  62          3HD2      LEU  62  -2.159  -5.110 -11.918
  369    H    GLY  63           H        GLY  63   0.548  -2.087  -7.562
  370   1HA   GLY  63          1HA       GLY  63   3.017  -0.726  -7.473
  371   2HA   GLY  63          2HA       GLY  63   3.305  -2.431  -7.781
  372    H    LEU  64           H        LEU  64   4.455  -2.322  -5.716
  373    HA   LEU  64           HA       LEU  64   2.765  -3.227  -3.573
  374   1HB   LEU  64          1HB       LEU  64   5.535  -2.727  -2.844
  375   2HB   LEU  64          2HB       LEU  64   4.617  -4.219  -2.799
  376    HG   LEU  64           HG       LEU  64   5.784  -3.143  -5.355
  377   1HD1  LEU  64          1HD1      LEU  64   7.409  -3.668  -3.341
  378   2HD1  LEU  64          2HD1      LEU  64   7.127  -5.329  -3.865
  379   3HD1  LEU  64          3HD1      LEU  64   7.793  -4.149  -4.994
  380   1HD2  LEU  64          1HD2      LEU  64   3.988  -5.170  -4.862
  381   2HD2  LEU  64          2HD2      LEU  64   4.982  -4.993  -6.308
  382   3HD2  LEU  64          3HD2      LEU  64   5.531  -6.016  -4.980
  383    H    PHE  65           H        PHE  65   2.769  -2.330  -1.402
  384    HA   PHE  65           HA       PHE  65   3.608   0.462  -1.185
  385   1HB   PHE  65          1HB       PHE  65   1.516   1.351  -0.739
  386   2HB   PHE  65          2HB       PHE  65   1.130   0.168  -1.986
  387    HD1  PHE  65           HD1      PHE  65   0.932   0.966   1.576
  388    HD2  PHE  65           HD2      PHE  65  -0.184  -1.783  -1.470
  389    HE1  PHE  65           HE1      PHE  65  -0.665  -0.069   3.114
  390    HE2  PHE  65           HE2      PHE  65  -1.795  -2.832   0.061
  391    HZ   PHE  65           HZ       PHE  65  -2.041  -1.978   2.363
  392    HA   PRO  66           HA       PRO  66   4.462  -0.655   3.020
  393   1HB   PRO  66          1HB       PRO  66   4.333   1.682   4.295
  394   2HB   PRO  66          2HB       PRO  66   5.539   1.419   3.027
  395   1HG   PRO  66          1HG       PRO  66   2.882   2.799   2.846
  396   2HG   PRO  66          2HG       PRO  66   4.454   3.349   2.253
  397   1HD   PRO  66          1HD       PRO  66   2.622   2.151   0.649
  398   2HD   PRO  66          2HD       PRO  66   4.368   2.006   0.391
  399    H    ALA  67           H        ALA  67   2.871  -1.965   3.896
  400    HA   ALA  67           HA       ALA  67   0.223  -1.097   4.428
  401   1HB   ALA  67          1HB       ALA  67   1.402  -3.525   4.301
  402   2HB   ALA  67          2HB       ALA  67   1.239  -3.331   6.047
  403   3HB   ALA  67          3HB       ALA  67  -0.185  -3.230   5.011
  404    H    ASN  68           H        ASN  68   3.124  -0.434   5.972
  405    HA   ASN  68           HA       ASN  68   1.970  -0.144   8.625
  406   1HB   ASN  68          1HB       ASN  68   4.082  -0.582   9.221
  407   2HB   ASN  68          2HB       ASN  68   4.620  -0.454   7.551
  408   1HD2  ASN  68          1HD2      ASN  68   5.006   1.774   6.754
  409   2HD2  ASN  68          2HD2      ASN  68   5.696   2.915   7.851
  410    H    TYR  69           H        TYR  69   2.996   1.828   5.909
  411    HA   TYR  69           HA       TYR  69   2.795   4.322   7.280
  412   1HB   TYR  69          1HB       TYR  69   3.901   3.555   4.918
  413   2HB   TYR  69          2HB       TYR  69   2.426   4.334   4.355
  414    HD1  TYR  69           HD1      TYR  69   5.140   4.977   6.849
  415    HD2  TYR  69           HD2      TYR  69   2.581   6.573   3.849
  416    HE1  TYR  69           HE1      TYR  69   6.208   7.176   7.116
  417    HE2  TYR  69           HE2      TYR  69   3.643   8.776   4.106
  418    HH   TYR  69           HH       TYR  69   6.379   9.379   5.232
  419    H    VAL  70           H        VAL  70   0.633   2.459   5.180
  420    HA   VAL  70           HA       VAL  70  -1.539   4.289   5.993
  421    HB   VAL  70           HB       VAL  70  -2.420   4.382   3.900
  422   1HG1  VAL  70          1HG1      VAL  70   0.435   4.389   3.900
  423   2HG1  VAL  70          2HG1      VAL  70  -0.146   3.765   2.357
  424   3HG1  VAL  70          3HG1      VAL  70  -0.677   5.347   2.924
  425   1HG2  VAL  70          1HG2      VAL  70  -1.253   1.652   3.395
  426   2HG2  VAL  70          2HG2      VAL  70  -2.952   2.081   3.599
  427   3HG2  VAL  70          3HG2      VAL  70  -2.077   2.604   2.160
  428    H    ALA  71           H        ALA  71  -3.677   3.333   6.144
  429    HA   ALA  71           HA       ALA  71  -3.590   0.435   6.710
  430   1HB   ALA  71          1HB       ALA  71  -4.323   2.648   8.435
  431   2HB   ALA  71          2HB       ALA  71  -3.980   0.965   8.837
  432   3HB   ALA  71          3HB       ALA  71  -5.599   1.435   8.321
  433    HA   PRO  72           HA       PRO  72  -6.953  -0.213   3.959
  434   1HB   PRO  72          1HB       PRO  72  -8.155  -1.938   6.052
  435   2HB   PRO  72          2HB       PRO  72  -7.755  -2.312   4.372
  436   1HG   PRO  72          1HG       PRO  72  -6.250  -3.239   6.330
  437   2HG   PRO  72          2HG       PRO  72  -5.503  -2.631   4.843
  438   1HD   PRO  72          1HD       PRO  72  -5.747  -1.291   7.518
  439   2HD   PRO  72          2HD       PRO  72  -4.366  -1.324   6.399
  440    H    MET  73           H        MET  73  -9.420  -0.504   4.016
  441    HA   MET  73           HA       MET  73 -10.733   1.259   5.926
  442   1HB   MET  73          1HB       MET  73  -9.802   2.438   3.764
  443   2HB   MET  73          2HB       MET  73 -11.210   1.708   3.007
  444   1HG   MET  73          1HG       MET  73 -12.479   2.804   5.017
  445   2HG   MET  73          2HG       MET  73 -11.059   3.847   5.072
  446   1HE   MET  73          1HE       MET  73 -13.292   2.128   2.430
  447   2HE   MET  73          2HE       MET  73 -14.475   3.159   3.236
  448   3HE   MET  73          3HE       MET  73 -14.014   3.485   1.565
  449    H    MET  74           H        MET  74 -12.097  -0.330   6.663
  450    HA   MET  74           HA       MET  74 -13.371  -2.188   4.897
  451   1HB   MET  74          1HB       MET  74 -12.831  -2.777   7.220
  452   2HB   MET  74          2HB       MET  74 -13.965  -1.559   7.791
  453   1HG   MET  74          1HG       MET  74 -15.649  -2.976   7.632
  454   2HG   MET  74          2HG       MET  74 -15.277  -3.302   5.943
  455   1HE   MET  74          1HE       MET  74 -16.329  -5.318   6.148
  456   2HE   MET  74          2HE       MET  74 -14.998  -6.316   5.561
  457   3HE   MET  74          3HE       MET  74 -15.838  -6.753   7.049
  458    H    ARG  75           H        ARG  75 -14.815  -1.455   3.487
  459    HA   ARG  75           HA       ARG  75 -16.912   0.368   4.473
  460   1HB   ARG  75          1HB       ARG  75 -17.161   0.932   1.975
  461   2HB   ARG  75          2HB       ARG  75 -15.777   1.593   2.836
  462   1HG   ARG  75          1HG       ARG  75 -14.288   0.102   1.824
  463   2HG   ARG  75          2HG       ARG  75 -15.587  -0.967   1.289
  464   1HD   ARG  75          1HD       ARG  75 -15.160   1.847   0.293
  465   2HD   ARG  75          2HD       ARG  75 -14.598   0.396  -0.537
  466    HE   ARG  75           HE       ARG  75 -16.989  -0.242  -0.699
  467   1HH1  ARG  75          1HH1      ARG  75 -16.114   3.098  -0.231
  468   2HH1  ARG  75          2HH1      ARG  75 -17.570   3.712  -0.941
  469   1HH2  ARG  75          1HH2      ARG  75 -18.906   0.557  -1.636
  470   2HH2  ARG  75          2HH2      ARG  75 -19.157   2.267  -1.741
  471    H1   ALA  76           H1       ALA  76   4.096   7.719  13.506
  472    H2   ALA  76           H2       ALA  76   5.629   7.794  14.217
  473    H3   ALA  76           H3       ALA  76   4.848   9.216  13.738
  474    HA   ALA  76           HA       ALA  76   4.967   8.548  11.430
  475   1HB   ALA  76          1HB       ALA  76   7.407   8.773  11.156
  476   2HB   ALA  76          2HB       ALA  76   7.606   8.505  12.888
  477   3HB   ALA  76          3HB       ALA  76   6.745   9.931  12.310
  478    HA   PRO  77           HA       PRO  77   5.145   4.009  11.313
  479   1HB   PRO  77          1HB       PRO  77   4.198   4.442   8.562
  480   2HB   PRO  77          2HB       PRO  77   3.463   3.509   9.868
  481   1HG   PRO  77          1HG       PRO  77   2.412   5.834   9.030
  482   2HG   PRO  77          2HG       PRO  77   2.354   5.338  10.732
  483   1HD   PRO  77          1HD       PRO  77   4.190   7.285   9.385
  484   2HD   PRO  77          2HD       PRO  77   3.386   7.404  10.965
  485    H    SER  78           H        SER  78   7.001   3.000  10.905
  486    HA   SER  78           HA       SER  78   8.657   3.938   8.664
  487   1HB   SER  78          1HB       SER  78   9.275   3.253  11.385
  488   2HB   SER  78          2HB       SER  78  10.160   2.190  10.291
  489    HG   SER  78           HG       SER  78  10.208   4.761   9.437
  490    H    ILE  79           H        ILE  79   8.801   2.731   6.944
  491    HA   ILE  79           HA       ILE  79   8.183  -0.133   7.188
  492    HB   ILE  79           HB       ILE  79   7.078   1.868   5.474
  493   1HG1  ILE  79          1HG1      ILE  79   6.002  -0.055   6.736
  494   2HG1  ILE  79          2HG1      ILE  79   5.418   0.236   5.105
  495   1HG2  ILE  79          1HG2      ILE  79   8.959   1.179   3.961
  496   2HG2  ILE  79          2HG2      ILE  79   8.230  -0.426   3.906
  497   3HG2  ILE  79          3HG2      ILE  79   7.338   0.969   3.298
  498   1HD1  ILE  79          1HD1      ILE  79   7.484  -1.611   4.817
  499   2HD1  ILE  79          2HD1      ILE  79   6.586  -2.128   6.244
  500   3HD1  ILE  79          3HD1      ILE  79   5.751  -1.917   4.705
  501    H    ASP  80           H        ASP  80   9.560  -1.598   6.383
  502    HA   ASP  80           HA       ASP  80  12.066  -0.592   5.214
  503   1HB   ASP  80          1HB       ASP  80  11.998  -3.364   6.227
  504   2HB   ASP  80          2HB       ASP  80  13.226  -2.118   6.431
  505    H    ARG  81           H        ARG  81  12.493  -1.071   3.163
  506    HA   ARG  81           HA       ARG  81  10.690  -2.670   1.625
  507   1HB   ARG  81          1HB       ARG  81  13.367  -1.660   0.688
  508   2HB   ARG  81          2HB       ARG  81  11.930  -1.984  -0.272
  509   1HG   ARG  81          1HG       ARG  81  10.863  -0.109   1.181
  510   2HG   ARG  81          2HG       ARG  81  12.541   0.339   1.497
  511   1HD   ARG  81          1HD       ARG  81  11.051   0.309  -1.103
  512   2HD   ARG  81          2HD       ARG  81  11.950   1.628  -0.357
  513    HE   ARG  81           HE       ARG  81  12.984  -0.377  -2.094
  514   1HH1  ARG  81          1HH1      ARG  81  13.801   1.633   0.635
  515   2HH1  ARG  81          2HH1      ARG  81  15.498   1.632   0.290
  516   1HH2  ARG  81          1HH2      ARG  81  15.216  -0.382  -2.553
  517   2HH2  ARG  81          2HH2      ARG  81  16.302   0.488  -1.520
  518    H    SER  82           H        SER  82  13.211  -3.504   3.603
  519    HA   SER  82           HA       SER  82  14.405  -5.576   2.027
  520   1HB   SER  82          1HB       SER  82  15.491  -6.239   4.159
  521   2HB   SER  82          2HB       SER  82  15.684  -4.522   3.807
  522    HG   SER  82           HG       SER  82  13.901  -5.732   5.646
  523    H    THR  83           H        THR  83  11.377  -5.384   3.171
  524    HA   THR  83           HA       THR  83  11.203  -8.299   3.539
  525    HB   THR  83           HB       THR  83  10.905  -7.213   5.720
  526    HG1  THR  83           HG1      THR  83   9.515  -8.763   6.048
  527   1HG2  THR  83          1HG2      THR  83   9.922  -5.093   4.655
  528   2HG2  THR  83          2HG2      THR  83   8.385  -5.957   4.676
  529   3HG2  THR  83          3HG2      THR  83   9.237  -5.637   6.187
  530    H    LYS  84           H        LYS  84  10.790  -6.517   1.197
  531    HA   LYS  84           HA       LYS  84   8.102  -6.119   0.585
  532   1HB   LYS  84          1HB       LYS  84  10.626  -6.313  -0.901
  533   2HB   LYS  84          2HB       LYS  84   9.212  -6.766  -1.842
  534   1HG   LYS  84          1HG       LYS  84   8.551  -4.653  -2.049
  535   2HG   LYS  84          2HG       LYS  84   8.791  -4.324  -0.332
  536   1HD   LYS  84          1HD       LYS  84  10.271  -2.887  -1.492
  537   2HD   LYS  84          2HD       LYS  84  11.266  -4.188  -0.836
  538   1HE   LYS  84          1HE       LYS  84  11.020  -5.326  -3.084
  539   2HE   LYS  84          2HE       LYS  84  10.336  -3.812  -3.673
  540   1HZ   LYS  84          1HZ       LYS  84  12.911  -3.718  -2.280
  541   2HZ   LYS  84          2HZ       LYS  84  12.886  -4.316  -3.861
  542   3HZ   LYS  84          3HZ       LYS  84  12.331  -2.750  -3.540
  543    HA   PRO  85           HA       PRO  85   6.008  -9.929  -0.165
  544   1HB   PRO  85          1HB       PRO  85   5.867  -9.145  -3.047
  545   2HB   PRO  85          2HB       PRO  85   4.587  -9.739  -1.981
  546   1HG   PRO  85          1HG       PRO  85   4.752  -7.152  -2.569
  547   2HG   PRO  85          2HG       PRO  85   4.323  -7.685  -0.932
  548   1HD   PRO  85          1HD       PRO  85   6.873  -6.535  -1.942
  549   2HD   PRO  85          2HD       PRO  85   6.127  -6.396  -0.340
  550    H    ALA  86           H        ALA  86   7.627 -11.423   0.138
  551    HA   ALA  86           HA       ALA  86   8.772 -12.538  -2.315
  552   1HB   ALA  86          1HB       ALA  86  10.306 -11.617   0.085
  553   2HB   ALA  86          2HB       ALA  86  10.913 -12.936  -0.916
  554   3HB   ALA  86          3HB       ALA  86  10.638 -11.345  -1.626

  No H/Q in entry =         554
  Start of MODEL    2
    1    H1   GLY  16           H1       GLY  16 -15.055  -6.048   7.056
    2    H2   GLY  16           H2       GLY  16 -15.913  -6.630   8.391
    3    H3   GLY  16           H3       GLY  16 -14.310  -6.121   8.574
    4   1HA   GLY  16          1HA       GLY  16 -15.361  -8.631   7.550
    5   2HA   GLY  16          2HA       GLY  16 -13.888  -8.319   8.454
    6    H    ARG  17           H        ARG  17 -12.361  -9.224   7.258
    7    HA   ARG  17           HA       ARG  17 -10.875  -9.543   5.584
    8   1HB   ARG  17          1HB       ARG  17 -13.436  -9.288   4.036
    9   2HB   ARG  17          2HB       ARG  17 -11.896  -9.546   3.221
   10   1HG   ARG  17          1HG       ARG  17 -11.941 -11.404   5.278
   11   2HG   ARG  17          2HG       ARG  17 -13.574 -11.427   4.603
   12   1HD   ARG  17          1HD       ARG  17 -11.206 -11.477   2.778
   13   2HD   ARG  17          2HD       ARG  17 -11.720 -12.959   3.585
   14    HE   ARG  17           HE       ARG  17 -13.729 -11.458   2.095
   15   1HH1  ARG  17          1HH1      ARG  17 -11.586 -14.198   2.277
   16   2HH1  ARG  17          2HH1      ARG  17 -12.413 -15.090   1.044
   17   1HH2  ARG  17          1HH2      ARG  17 -14.826 -12.625   0.473
   18   2HH2  ARG  17          2HH2      ARG  17 -14.255 -14.196   0.018
   19    H    VAL  18           H        VAL  18  -9.626  -7.800   5.968
   20    HA   VAL  18           HA       VAL  18 -10.199  -5.264   4.657
   21    HB   VAL  18           HB       VAL  18  -8.017  -4.563   5.743
   22   1HG1  VAL  18          1HG1      VAL  18 -10.311  -4.151   6.662
   23   2HG1  VAL  18          2HG1      VAL  18 -10.096  -5.587   7.664
   24   3HG1  VAL  18          3HG1      VAL  18  -9.026  -4.202   7.869
   25   1HG2  VAL  18          1HG2      VAL  18  -7.436  -7.131   5.993
   26   2HG2  VAL  18          2HG2      VAL  18  -6.851  -5.935   7.149
   27   3HG2  VAL  18          3HG2      VAL  18  -8.262  -6.920   7.536
   28    H    ARG  19           H        ARG  19  -9.225  -4.541   2.837
   29    HA   ARG  19           HA       ARG  19  -6.734  -5.635   1.911
   30   1HB   ARG  19          1HB       ARG  19  -7.807  -6.334  -0.321
   31   2HB   ARG  19          2HB       ARG  19  -7.969  -7.421   1.051
   32   1HG   ARG  19          1HG       ARG  19 -10.202  -7.162   1.169
   33   2HG   ARG  19          2HG       ARG  19 -10.134  -5.454   0.729
   34   1HD   ARG  19          1HD       ARG  19 -11.031  -6.188  -1.204
   35   2HD   ARG  19          2HD       ARG  19  -9.355  -6.573  -1.593
   36    HE   ARG  19           HE       ARG  19 -10.881  -8.660  -0.270
   37   1HH1  ARG  19          1HH1      ARG  19  -9.688  -7.331  -3.263
   38   2HH1  ARG  19          2HH1      ARG  19  -9.862  -8.813  -4.140
   39   1HH2  ARG  19          1HH2      ARG  19 -11.110 -10.617  -1.419
   40   2HH2  ARG  19          2HH2      ARG  19 -10.670 -10.681  -3.092
   41    H    TRP  20           H        TRP  20  -7.278  -3.042   2.536
   42    HA   TRP  20           HA       TRP  20  -7.100  -1.752  -0.081
   43   1HB   TRP  20          1HB       TRP  20  -8.866  -0.793   2.180
   44   2HB   TRP  20          2HB       TRP  20  -8.517   0.125   0.718
   45    HD1  TRP  20           HD1      TRP  20 -10.210  -3.176   1.788
   46    HE1  TRP  20           HE1      TRP  20 -11.989  -3.768   0.012
   47    HE3  TRP  20           HE3      TRP  20  -9.327   0.601  -1.544
   48    HZ2  TRP  20           HZ2      TRP  20 -12.879  -2.758  -2.472
   49    HZ3  TRP  20           HZ3      TRP  20 -10.690   0.721  -3.588
   50    HH2  TRP  20           HH2      TRP  20 -12.434  -0.926  -4.039
   51    H    ALA  21           H        ALA  21  -6.021   0.344  -0.010
   52    HA   ALA  21           HA       ALA  21  -4.361   0.655   2.394
   53   1HB   ALA  21          1HB       ALA  21  -2.510   0.424   1.184
   54   2HB   ALA  21          2HB       ALA  21  -3.045   1.673   0.060
   55   3HB   ALA  21          3HB       ALA  21  -3.509  -0.007  -0.204
   56    H    ARG  22           H        ARG  22  -5.233   2.409   3.355
   57    HA   ARG  22           HA       ARG  22  -5.831   4.725   1.655
   58   1HB   ARG  22          1HB       ARG  22  -7.767   4.369   2.868
   59   2HB   ARG  22          2HB       ARG  22  -6.906   3.802   4.293
   60   1HG   ARG  22          1HG       ARG  22  -6.068   6.320   4.323
   61   2HG   ARG  22          2HG       ARG  22  -7.574   6.562   3.436
   62   1HD   ARG  22          1HD       ARG  22  -8.715   5.259   5.277
   63   2HD   ARG  22          2HD       ARG  22  -7.209   5.390   6.184
   64    HE   ARG  22           HE       ARG  22  -7.811   7.957   5.466
   65   1HH1  ARG  22          1HH1      ARG  22  -9.464   5.424   7.195
   66   2HH1  ARG  22          2HH1      ARG  22 -10.361   6.516   8.197
   67   1HH2  ARG  22          1HH2      ARG  22  -8.988   9.402   6.779
   68   2HH2  ARG  22          2HH2      ARG  22 -10.091   8.778   7.959
   69    H    ALA  23           H        ALA  23  -4.178   5.984   1.460
   70    HA   ALA  23           HA       ALA  23  -2.072   6.125   3.388
   71   1HB   ALA  23          1HB       ALA  23  -2.525   7.846   0.958
   72   2HB   ALA  23          3HB       ALA  23  -1.677   6.301   0.964
   73   3HB   ALA  23          2HB       ALA  23  -1.020   7.671   1.860
   74    H    LEU  24           H        LEU  24  -1.999   7.339   5.119
   75    HA   LEU  24           HA       LEU  24  -3.829   9.595   5.425
   76   1HB   LEU  24          1HB       LEU  24  -1.866   8.760   7.521
   77   2HB   LEU  24          2HB       LEU  24  -3.473   9.434   7.715
   78    HG   LEU  24           HG       LEU  24  -3.093   6.670   6.608
   79   1HD1  LEU  24          1HD1      LEU  24  -2.725   7.596   9.392
   80   2HD1  LEU  24          2HD1      LEU  24  -3.692   6.140   9.152
   81   3HD1  LEU  24          3HD1      LEU  24  -2.034   6.207   8.553
   82   1HD2  LEU  24          1HD2      LEU  24  -5.311   8.346   7.564
   83   2HD2  LEU  24          2HD2      LEU  24  -5.301   7.034   6.385
   84   3HD2  LEU  24          3HD2      LEU  24  -5.342   6.670   8.110
   85    H    TYR  25           H        TYR  25  -0.624   8.811   4.692
   86    HA   TYR  25           HA       TYR  25   0.134  11.631   4.550
   87   1HB   TYR  25          1HB       TYR  25   2.378   9.890   5.267
   88   2HB   TYR  25          2HB       TYR  25   1.939  11.471   5.899
   89    HD1  TYR  25           HD1      TYR  25   1.989   7.941   6.513
   90    HD2  TYR  25           HD2      TYR  25   0.146  11.588   7.696
   91    HE1  TYR  25           HE1      TYR  25   1.280   6.892   8.622
   92    HE2  TYR  25           HE2      TYR  25  -0.573  10.548   9.805
   93    HH   TYR  25           HH       TYR  25  -1.010   7.802  10.450
   94    H    ASP  26           H        ASP  26   2.436  11.625   3.337
   95    HA   ASP  26           HA       ASP  26   2.020  10.939   0.722
   96   1HB   ASP  26          1HB       ASP  26   4.062  12.137   2.132
   97   2HB   ASP  26          2HB       ASP  26   4.840  10.701   1.472
   98    H    PHE  27           H        PHE  27   3.689   9.434  -0.518
   99    HA   PHE  27           HA       PHE  27   3.188   6.737   0.506
  100   1HB   PHE  27          1HB       PHE  27   3.412   5.988  -1.772
  101   2HB   PHE  27          2HB       PHE  27   2.336   7.383  -1.743
  102    HD1  PHE  27           HD1      PHE  27   3.101   9.555  -2.591
  103    HD2  PHE  27           HD2      PHE  27   5.515   6.062  -2.881
  104    HE1  PHE  27           HE1      PHE  27   4.507  10.676  -4.271
  105    HE2  PHE  27           HE2      PHE  27   6.928   7.179  -4.563
  106    HZ   PHE  27           HZ       PHE  27   6.424   9.488  -5.259
  107    H    GLU  28           H        GLU  28   4.753   5.153   0.599
  108    HA   GLU  28           HA       GLU  28   7.502   6.136   0.796
  109   1HB   GLU  28          1HB       GLU  28   6.367   3.484   1.690
  110   2HB   GLU  28          2HB       GLU  28   7.959   4.127   2.072
  111   1HG   GLU  28          1HG       GLU  28   5.955   6.001   2.868
  112   2HG   GLU  28          2HG       GLU  28   5.578   4.409   3.526
  113    H    ALA  29           H        ALA  29   5.781   5.047  -1.655
  114    HA   ALA  29           HA       ALA  29   7.263   2.797  -2.571
  115   1HB   ALA  29          2HB       ALA  29   5.517   2.717  -3.936
  116   2HB   ALA  29          3HB       ALA  29   5.037   4.351  -3.481
  117   3HB   ALA  29          1HB       ALA  29   6.174   4.103  -4.806
  118    H    LEU  30           H        LEU  30   9.411   3.013  -2.799
  119    HA   LEU  30           HA       LEU  30  10.403   5.315  -4.346
  120   1HB   LEU  30          1HB       LEU  30  12.344   3.663  -2.857
  121   2HB   LEU  30          2HB       LEU  30  12.277   5.401  -3.071
  122    HG   LEU  30           HG       LEU  30  10.423   3.926  -1.211
  123   1HD1  LEU  30          1HD1      LEU  30  12.966   3.721  -0.750
  124   2HD1  LEU  30          2HD1      LEU  30  12.840   5.417  -0.284
  125   3HD1  LEU  30          3HD1      LEU  30  11.884   4.198   0.558
  126   1HD2  LEU  30          1HD2      LEU  30   9.854   6.243  -2.042
  127   2HD2  LEU  30          2HD2      LEU  30   9.958   6.054  -0.292
  128   3HD2  LEU  30          3HD2      LEU  30  11.283   6.809  -1.178
  129    H    GLU  31           H        GLU  31   9.734   2.059  -4.535
  130    HA   GLU  31           HA       GLU  31  11.924   1.466  -6.386
  131   1HB   GLU  31          1HB       GLU  31   9.883  -0.177  -4.953
  132   2HB   GLU  31          2HB       GLU  31  10.608  -0.815  -6.422
  133   1HG   GLU  31          1HG       GLU  31  12.373   0.250  -4.271
  134   2HG   GLU  31          2HG       GLU  31  11.640  -1.343  -4.085
  135    H    GLU  32           H        GLU  32  11.251   0.160  -8.389
  136    HA   GLU  32           HA       GLU  32   9.441   1.814  -9.903
  137   1HB   GLU  32          1HB       GLU  32  10.210   0.613 -11.833
  138   2HB   GLU  32          2HB       GLU  32  11.603   0.964 -10.819
  139   1HG   GLU  32          1HG       GLU  32  11.207  -1.408  -9.874
  140   2HG   GLU  32          2HG       GLU  32  10.247  -1.644 -11.333
  141    H    ASP  33           H        ASP  33   9.484  -1.488  -8.667
  142    HA   ASP  33           HA       ASP  33   6.952  -2.130  -9.926
  143   1HB   ASP  33          1HB       ASP  33   9.113  -3.609  -8.754
  144   2HB   ASP  33          2HB       ASP  33   7.606  -4.067  -7.962
  145    H    GLU  34           H        GLU  34   7.318   0.022  -7.840
  146    HA   GLU  34           HA       GLU  34   5.381  -0.971  -5.864
  147   1HB   GLU  34          1HB       GLU  34   7.776   0.680  -5.648
  148   2HB   GLU  34          2HB       GLU  34   6.377   1.418  -4.881
  149   1HG   GLU  34          1HG       GLU  34   7.313   0.200  -3.167
  150   2HG   GLU  34          2HG       GLU  34   6.056  -0.881  -3.766
  151    H    LEU  35           H        LEU  35   3.866   0.687  -5.037
  152    HA   LEU  35           HA       LEU  35   3.063   2.561  -7.160
  153   1HB   LEU  35          1HB       LEU  35   1.412   0.885  -7.154
  154   2HB   LEU  35          2HB       LEU  35   1.416   0.764  -5.405
  155    HG   LEU  35           HG       LEU  35   0.576   3.313  -5.675
  156   1HD1  LEU  35          1HD1      LEU  35  -0.084   1.890  -8.212
  157   2HD1  LEU  35          2HD1      LEU  35  -1.248   3.024  -7.526
  158   3HD1  LEU  35          3HD1      LEU  35   0.373   3.574  -7.949
  159   1HD2  LEU  35          1HD2      LEU  35  -0.689   0.702  -5.288
  160   2HD2  LEU  35          2HD2      LEU  35  -0.845   2.191  -4.357
  161   3HD2  LEU  35          3HD2      LEU  35  -1.791   1.969  -5.828
  162    H    GLY  36           H        GLY  36   2.575   4.626  -6.558
  163   1HA   GLY  36          1HA       GLY  36   3.447   6.298  -5.003
  164   2HA   GLY  36          2HA       GLY  36   2.937   5.240  -3.700
  165    H    PHE  37           H        PHE  37   1.420   6.266  -2.627
  166    HA   PHE  37           HA       PHE  37  -0.824   7.429  -4.136
  167   1HB   PHE  37          1HB       PHE  37  -1.820   7.089  -1.630
  168   2HB   PHE  37          2HB       PHE  37  -2.026   5.932  -2.939
  169    HD1  PHE  37           HD1      PHE  37   0.634   6.770  -0.448
  170    HD2  PHE  37           HD2      PHE  37  -1.722   3.758  -2.315
  171    HE1  PHE  37           HE1      PHE  37   1.744   5.058   0.925
  172    HE2  PHE  37           HE2      PHE  37  -0.617   2.039  -0.945
  173    HZ   PHE  37           HZ       PHE  37   1.119   2.689   0.679
  174    H    ARG  38           H        ARG  38  -2.079   8.935  -2.375
  175    HA   ARG  38           HA       ARG  38  -0.061  10.734  -1.211
  176   1HB   ARG  38          1HB       ARG  38  -2.544  11.729  -2.599
  177   2HB   ARG  38          2HB       ARG  38  -1.146  12.660  -2.073
  178   1HG   ARG  38          1HG       ARG  38   0.112  11.075  -3.762
  179   2HG   ARG  38          2HG       ARG  38  -1.496  10.956  -4.477
  180   1HD   ARG  38          1HD       ARG  38   0.082  13.474  -3.975
  181   2HD   ARG  38          2HD       ARG  38  -0.276  12.743  -5.540
  182    HE   ARG  38           HE       ARG  38  -2.592  13.457  -3.965
  183   1HH1  ARG  38          1HH1      ARG  38  -0.301  14.468  -6.389
  184   2HH1  ARG  38          2HH1      ARG  38  -1.347  15.677  -7.056
  185   1HH2  ARG  38          1HH2      ARG  38  -3.974  15.045  -4.839
  186   2HH2  ARG  38          2HH2      ARG  38  -3.433  16.005  -6.175
  187    H    SER  39           H        SER  39  -1.121  12.363   0.305
  188    HA   SER  39           HA       SER  39  -2.322  11.064   2.426
  189   1HB   SER  39          1HB       SER  39  -1.218  13.227   2.674
  190   2HB   SER  39          2HB       SER  39  -2.479  14.003   1.717
  191    HG   SER  39           HG       SER  39  -3.944  13.585   3.342
  192    H    GLY  40           H        GLY  40  -4.376  10.702   3.111
  193   1HA   GLY  40          1HA       GLY  40  -6.710  11.924   2.224
  194   2HA   GLY  40          2HA       GLY  40  -6.631  10.329   2.952
  195    H    GLU  41           H        GLU  41  -5.597   8.661   1.276
  196    HA   GLU  41           HA       GLU  41  -7.265   8.899  -1.127
  197   1HB   GLU  41          1HB       GLU  41  -4.341   8.190  -1.024
  198   2HB   GLU  41          2HB       GLU  41  -5.364   7.729  -2.378
  199   1HG   GLU  41          1HG       GLU  41  -5.210  10.577  -1.481
  200   2HG   GLU  41          2HG       GLU  41  -3.974   9.888  -2.531
  201    H    VAL  42           H        VAL  42  -8.007   6.960  -2.014
  202    HA   VAL  42           HA       VAL  42  -7.822   4.661  -0.183
  203    HB   VAL  42           HB       VAL  42 -10.003   5.320  -2.171
  204   1HG1  VAL  42          1HG1      VAL  42  -9.333   2.902  -0.703
  205   2HG1  VAL  42          2HG1      VAL  42 -10.973   3.464  -0.374
  206   3HG1  VAL  42          3HG1      VAL  42 -10.467   3.142  -2.032
  207   1HG2  VAL  42          1HG2      VAL  42  -9.742   6.743  -0.037
  208   2HG2  VAL  42          2HG2      VAL  42 -11.326   6.060  -0.404
  209   3HG2  VAL  42          3HG2      VAL  42 -10.300   5.300   0.812
  210    H    VAL  43           H        VAL  43  -7.017   2.783  -0.893
  211    HA   VAL  43           HA       VAL  43  -6.645   2.410  -3.792
  212    HB   VAL  43           HB       VAL  43  -4.630   1.683  -1.660
  213   1HG1  VAL  43          1HG1      VAL  43  -4.582   1.408  -4.658
  214   2HG1  VAL  43          2HG1      VAL  43  -3.163   1.231  -3.626
  215   3HG1  VAL  43          3HG1      VAL  43  -4.520   0.116  -3.459
  216   1HG2  VAL  43          1HG2      VAL  43  -5.024   4.105  -3.254
  217   2HG2  VAL  43          2HG2      VAL  43  -4.097   3.857  -1.775
  218   3HG2  VAL  43          3HG2      VAL  43  -3.392   3.443  -3.337
  219    H    GLU  44           H        GLU  44  -6.879   0.316  -4.560
  220    HA   GLU  44           HA       GLU  44  -8.179  -1.538  -2.709
  221   1HB   GLU  44          1HB       GLU  44  -9.344  -1.108  -4.793
  222   2HB   GLU  44          2HB       GLU  44  -7.926  -1.565  -5.722
  223   1HG   GLU  44          1HG       GLU  44  -8.171  -3.825  -5.218
  224   2HG   GLU  44          2HG       GLU  44  -9.237  -3.497  -3.853
  225    H    VAL  45           H        VAL  45  -6.896  -2.913  -1.671
  226    HA   VAL  45           HA       VAL  45  -4.295  -3.619  -2.689
  227    HB   VAL  45           HB       VAL  45  -5.768  -4.517  -0.213
  228   1HG1  VAL  45          1HG1      VAL  45  -3.840  -5.988  -1.404
  229   2HG1  VAL  45          2HG1      VAL  45  -2.863  -4.937  -0.380
  230   3HG1  VAL  45          3HG1      VAL  45  -4.119  -5.947   0.336
  231   1HG2  VAL  45          1HG2      VAL  45  -4.999  -2.132  -0.374
  232   2HG2  VAL  45          2HG2      VAL  45  -4.330  -3.046   0.978
  233   3HG2  VAL  45          3HG2      VAL  45  -3.348  -2.744  -0.456
  234    H    LEU  46           H        LEU  46  -3.626  -5.524  -3.525
  235    HA   LEU  46           HA       LEU  46  -5.732  -7.411  -4.296
  236   1HB   LEU  46          1HB       LEU  46  -3.391  -6.321  -5.588
  237   2HB   LEU  46          2HB       LEU  46  -3.349  -8.076  -5.611
  238    HG   LEU  46           HG       LEU  46  -5.689  -6.443  -6.591
  239   1HD1  LEU  46          1HD1      LEU  46  -3.288  -6.406  -7.789
  240   2HD1  LEU  46          2HD1      LEU  46  -3.957  -7.874  -8.501
  241   3HD1  LEU  46          3HD1      LEU  46  -4.816  -6.342  -8.668
  242   1HD2  LEU  46          1HD2      LEU  46  -5.350  -9.203  -6.018
  243   2HD2  LEU  46          2HD2      LEU  46  -6.748  -8.387  -6.719
  244   3HD2  LEU  46          3HD2      LEU  46  -5.476  -9.016  -7.767
  245    H    ASP  47           H        ASP  47  -2.780  -7.153  -2.467
  246    HA   ASP  47           HA       ASP  47  -3.216  -9.831  -1.422
  247   1HB   ASP  47          1HB       ASP  47  -0.689  -8.979  -2.827
  248   2HB   ASP  47          2HB       ASP  47  -0.729 -10.322  -1.687
  249    H    SER  48           H        SER  48  -3.697  -8.947   0.560
  250    HA   SER  48           HA       SER  48  -1.822  -7.145   1.879
  251   1HB   SER  48          1HB       SER  48  -3.603  -7.711   3.808
  252   2HB   SER  48          2HB       SER  48  -3.914  -6.505   2.561
  253    HG   SER  48           HG       SER  48  -5.655  -7.746   2.394
  254    H    SER  49           H        SER  49  -1.776 -10.362   1.323
  255    HA   SER  49           HA       SER  49  -1.055 -11.181   3.990
  256   1HB   SER  49          1HB       SER  49  -0.048 -12.897   1.857
  257   2HB   SER  49          2HB       SER  49  -1.187 -13.274   3.151
  258    HG   SER  49           HG       SER  49  -1.667 -12.728   0.545
  259    H    ASN  50           H        ASN  50   0.694 -10.491   4.856
  260    HA   ASN  50           HA       ASN  50   3.292 -10.954   4.222
  261   1HB   ASN  50          1HB       ASN  50   2.192  -8.719   2.680
  262   2HB   ASN  50          2HB       ASN  50   3.642  -8.289   3.581
  263   1HD2  ASN  50          1HD2      ASN  50   2.828  -8.886   0.667
  264   2HD2  ASN  50          2HD2      ASN  50   4.115  -9.883   0.099
  265    HA   PRO  51           HA       PRO  51   3.407  -8.830   8.097
  266   1HB   PRO  51          1HB       PRO  51   6.009  -8.859   8.659
  267   2HB   PRO  51          2HB       PRO  51   5.109 -10.365   8.440
  268   1HG   PRO  51          1HG       PRO  51   7.012  -9.009   6.596
  269   2HG   PRO  51          2HG       PRO  51   6.711 -10.739   6.828
  270   1HD   PRO  51          1HD       PRO  51   5.645  -9.078   4.791
  271   2HD   PRO  51          2HD       PRO  51   5.180 -10.752   5.156
  272    H    SER  52           H        SER  52   4.315  -7.072   5.414
  273    HA   SER  52           HA       SER  52   4.228  -4.620   6.837
  274   1HB   SER  52          1HB       SER  52   6.871  -5.800   6.355
  275   2HB   SER  52          2HB       SER  52   6.716  -4.127   5.821
  276    HG   SER  52           HG       SER  52   7.088  -3.733   7.860
  277    H    TRP  53           H        TRP  53   5.360  -6.164   3.835
  278    HA   TRP  53           HA       TRP  53   4.381  -3.800   2.374
  279   1HB   TRP  53          1HB       TRP  53   6.590  -5.739   1.866
  280   2HB   TRP  53          2HB       TRP  53   5.791  -5.002   0.485
  281    HD1  TRP  53           HD1      TRP  53   8.101  -4.162   3.406
  282    HE1  TRP  53           HE1      TRP  53   9.140  -1.844   2.993
  283    HE3  TRP  53           HE3      TRP  53   5.353  -2.760  -0.664
  284    HZ2  TRP  53           HZ2      TRP  53   8.833   0.298   1.172
  285    HZ3  TRP  53           HZ3      TRP  53   5.785  -0.563  -1.680
  286    HH2  TRP  53           HH2      TRP  53   7.488   0.933  -0.779
  287    H    TRP  54           H        TRP  54   2.426  -4.064   1.494
  288    HA   TRP  54           HA       TRP  54   1.685  -6.748   0.536
  289   1HB   TRP  54          1HB       TRP  54  -0.216  -4.473   1.134
  290   2HB   TRP  54          2HB       TRP  54  -0.624  -6.145   0.769
  291    HD1  TRP  54           HD1      TRP  54   1.834  -7.060   2.936
  292    HE1  TRP  54           HE1      TRP  54   1.093  -7.196   5.386
  293    HE3  TRP  54           HE3      TRP  54  -2.352  -4.152   2.674
  294    HZ2  TRP  54           HZ2      TRP  54  -0.978  -6.179   7.016
  295    HZ3  TRP  54           HZ3      TRP  54  -3.656  -3.774   4.726
  296    HH2  TRP  54           HH2      TRP  54  -2.983  -4.769   6.851
  297    H    THR  55           H        THR  55   0.709  -6.979  -1.498
  298    HA   THR  55           HA       THR  55   1.514  -4.953  -3.425
  299    HB   THR  55           HB       THR  55   0.170  -7.579  -4.051
  300    HG1  THR  55           HG1      THR  55   1.939  -8.275  -2.995
  301   1HG2  THR  55          1HG2      THR  55   0.571  -5.637  -5.753
  302   2HG2  THR  55          2HG2      THR  55   2.240  -6.205  -5.717
  303   3HG2  THR  55          3HG2      THR  55   0.946  -7.298  -6.212
  304    H    GLY  56           H        GLY  56   0.153  -3.404  -4.052
  305   1HA   GLY  56          1HA       GLY  56  -2.260  -2.688  -3.382
  306   2HA   GLY  56          2HA       GLY  56  -2.689  -4.066  -4.384
  307    H    ARG  57           H        ARG  57  -3.849  -2.014  -5.348
  308    HA   ARG  57           HA       ARG  57  -2.073  -0.612  -7.199
  309   1HB   ARG  57          1HB       ARG  57  -3.691  -1.106  -9.080
  310   2HB   ARG  57          2HB       ARG  57  -2.693  -2.454  -8.542
  311   1HG   ARG  57          1HG       ARG  57  -4.493  -3.496  -7.455
  312   2HG   ARG  57          2HG       ARG  57  -5.478  -2.031  -7.506
  313   1HD   ARG  57          1HD       ARG  57  -5.731  -2.215  -9.884
  314   2HD   ARG  57          2HD       ARG  57  -4.590  -3.557  -9.948
  315    HE   ARG  57           HE       ARG  57  -7.072  -3.850  -8.414
  316   1HH1  ARG  57          1HH1      ARG  57  -5.084  -4.741 -11.135
  317   2HH1  ARG  57          2HH1      ARG  57  -6.017  -6.150 -11.518
  318   1HH2  ARG  57          1HH2      ARG  57  -8.302  -5.701  -8.912
  319   2HH2  ARG  57          2HH2      ARG  57  -7.844  -6.695 -10.255
  320    H    LEU  58           H        LEU  58  -2.623   1.429  -7.592
  321    HA   LEU  58           HA       LEU  58  -5.087   2.452  -6.374
  322   1HB   LEU  58          1HB       LEU  58  -2.747   3.379  -5.853
  323   2HB   LEU  58          2HB       LEU  58  -2.802   4.090  -7.455
  324    HG   LEU  58           HG       LEU  58  -4.982   4.652  -5.467
  325   1HD1  LEU  58          1HD1      LEU  58  -2.342   6.089  -5.683
  326   2HD1  LEU  58          2HD1      LEU  58  -3.738   6.639  -4.756
  327   3HD1  LEU  58          3HD1      LEU  58  -2.913   5.148  -4.304
  328   1HD2  LEU  58          1HD2      LEU  58  -4.021   5.760  -8.042
  329   2HD2  LEU  58          2HD2      LEU  58  -5.664   5.586  -7.423
  330   3HD2  LEU  58          3HD2      LEU  58  -4.641   6.903  -6.851
  331    H    HIS  59           H        HIS  59  -6.760   2.682  -7.694
  332    HA   HIS  59           HA       HIS  59  -8.040   3.211  -9.494
  333   1HB   HIS  59          1HB       HIS  59  -5.638   4.899  -9.888
  334   2HB   HIS  59          2HB       HIS  59  -6.641   4.640 -11.311
  335    HD1  HIS  59           HD1      HIS  59  -7.755   6.877 -11.503
  336    HD2  HIS  59           HD2      HIS  59  -8.040   5.283  -7.676
  337    HE1  HIS  59           HE1      HIS  59  -9.310   8.406 -10.252
  338    HE2  HIS  59           HE2      HIS  59  -9.402   7.469  -7.915
  339    H    ASN  60           H        ASN  60  -5.041   3.181 -11.361
  340    HA   ASN  60           HA       ASN  60  -5.732   0.532 -12.410
  341   1HB   ASN  60          1HB       ASN  60  -6.117   2.962 -13.824
  342   2HB   ASN  60          2HB       ASN  60  -4.744   2.146 -14.564
  343   1HD2  ASN  60          1HD2      ASN  60  -6.669   2.356 -16.218
  344   2HD2  ASN  60          2HD2      ASN  60  -7.606   0.914 -16.386
  345    H    LYS  61           H        LYS  61  -3.512   2.241 -10.882
  346    HA   LYS  61           HA       LYS  61  -1.210   1.198 -12.367
  347   1HB   LYS  61          1HB       LYS  61  -1.261   3.126 -10.036
  348   2HB   LYS  61          2HB       LYS  61   0.147   2.689 -10.995
  349   1HG   LYS  61          1HG       LYS  61  -0.648   3.840 -12.883
  350   2HG   LYS  61          2HG       LYS  61  -2.275   3.975 -12.214
  351   1HD   LYS  61          1HD       LYS  61  -1.585   6.061 -11.692
  352   2HD   LYS  61          2HD       LYS  61  -0.877   5.245 -10.297
  353   1HE   LYS  61          1HE       LYS  61   1.232   5.532 -11.038
  354   2HE   LYS  61          2HE       LYS  61   0.786   5.260 -12.722
  355   1HZ   LYS  61          1HZ       LYS  61  -0.113   7.506 -12.801
  356   2HZ   LYS  61          2HZ       LYS  61   0.340   7.766 -11.192
  357   3HZ   LYS  61          3HZ       LYS  61   1.523   7.525 -12.376
  358    H    LEU  62           H        LEU  62  -0.139  -0.538 -11.644
  359    HA   LEU  62           HA       LEU  62  -0.910  -1.616  -9.026
  360   1HB   LEU  62          1HB       LEU  62   0.666  -3.152 -11.049
  361   2HB   LEU  62          2HB       LEU  62  -0.444  -3.744  -9.827
  362    HG   LEU  62           HG       LEU  62  -2.058  -2.219 -11.491
  363   1HD1  LEU  62          1HD1      LEU  62   0.234  -3.284 -12.983
  364   2HD1  LEU  62          2HD1      LEU  62  -1.348  -3.680 -13.656
  365   3HD1  LEU  62          3HD1      LEU  62  -0.896  -1.996 -13.398
  366   1HD2  LEU  62          1HD2      LEU  62  -2.224  -4.591 -10.371
  367   2HD2  LEU  62          2HD2      LEU  62  -3.206  -4.177 -11.776
  368   3HD2  LEU  62          3HD2      LEU  62  -1.740  -5.137 -11.977
  369    H    GLY  63           H        GLY  63   0.560  -2.102  -7.457
  370   1HA   GLY  63          1HA       GLY  63   2.991  -0.646  -7.455
  371   2HA   GLY  63          2HA       GLY  63   3.310  -2.352  -7.712
  372    H    LEU  64           H        LEU  64   4.401  -2.578  -5.760
  373    HA   LEU  64           HA       LEU  64   2.807  -3.288  -3.533
  374   1HB   LEU  64          1HB       LEU  64   5.651  -2.723  -3.017
  375   2HB   LEU  64          2HB       LEU  64   4.707  -4.155  -2.662
  376    HG   LEU  64           HG       LEU  64   5.774  -3.467  -5.399
  377   1HD1  LEU  64          1HD1      LEU  64   7.076  -4.601  -3.100
  378   2HD1  LEU  64          2HD1      LEU  64   7.018  -5.764  -4.423
  379   3HD1  LEU  64          3HD1      LEU  64   7.746  -4.178  -4.674
  380   1HD2  LEU  64          1HD2      LEU  64   3.748  -5.220  -4.621
  381   2HD2  LEU  64          2HD2      LEU  64   4.590  -5.183  -6.172
  382   3HD2  LEU  64          3HD2      LEU  64   5.166  -6.237  -4.880
  383    H    PHE  65           H        PHE  65   2.810  -2.355  -1.396
  384    HA   PHE  65           HA       PHE  65   3.642   0.446  -1.225
  385   1HB   PHE  65          1HB       PHE  65   1.549   1.318  -0.752
  386   2HB   PHE  65          2HB       PHE  65   1.137   0.096  -1.956
  387    HD1  PHE  65           HD1      PHE  65   1.044   1.003   1.578
  388    HD2  PHE  65           HD2      PHE  65  -0.115  -1.873  -1.330
  389    HE1  PHE  65           HE1      PHE  65  -0.476  -0.008   3.205
  390    HE2  PHE  65           HE2      PHE  65  -1.654  -2.898   0.293
  391    HZ   PHE  65           HZ       PHE  65  -1.838  -1.969   2.570
  392    HA   PRO  66           HA       PRO  66   4.587  -0.602   2.984
  393   1HB   PRO  66          1HB       PRO  66   4.410   1.727   4.250
  394   2HB   PRO  66          2HB       PRO  66   5.582   1.513   2.940
  395   1HG   PRO  66          1HG       PRO  66   2.846   2.753   2.828
  396   2HG   PRO  66          2HG       PRO  66   4.376   3.405   2.222
  397   1HD   PRO  66          1HD       PRO  66   2.616   2.122   0.618
  398   2HD   PRO  66          2HD       PRO  66   4.368   2.045   0.363
  399    H    ALA  67           H        ALA  67   3.084  -1.952   3.918
  400    HA   ALA  67           HA       ALA  67   0.410  -1.194   4.500
  401   1HB   ALA  67          1HB       ALA  67   1.452  -3.559   4.219
  402   2HB   ALA  67          2HB       ALA  67   1.784  -3.418   5.945
  403   3HB   ALA  67          3HB       ALA  67   0.125  -3.319   5.356
  404    H    ASN  68           H        ASN  68   3.345  -0.484   5.994
  405    HA   ASN  68           HA       ASN  68   2.239  -0.208   8.667
  406   1HB   ASN  68          1HB       ASN  68   4.374  -0.673   9.166
  407   2HB   ASN  68          2HB       ASN  68   4.889  -0.391   7.508
  408   1HD2  ASN  68          1HD2      ASN  68   5.254   1.865   6.881
  409   2HD2  ASN  68          2HD2      ASN  68   5.881   2.958   8.062
  410    H    TYR  69           H        TYR  69   3.004   1.771   5.896
  411    HA   TYR  69           HA       TYR  69   2.822   4.254   7.336
  412   1HB   TYR  69          1HB       TYR  69   3.928   3.542   4.936
  413   2HB   TYR  69          2HB       TYR  69   2.461   4.371   4.426
  414    HD1  TYR  69           HD1      TYR  69   2.638   6.632   4.036
  415    HD2  TYR  69           HD2      TYR  69   5.226   4.850   6.905
  416    HE1  TYR  69           HE1      TYR  69   3.741   8.803   4.381
  417    HE2  TYR  69           HE2      TYR  69   6.334   7.017   7.260
  418    HH   TYR  69           HH       TYR  69   6.407   9.161   6.706
  419    H    VAL  70           H        VAL  70   0.699   2.382   5.191
  420    HA   VAL  70           HA       VAL  70  -1.503   4.161   6.036
  421    HB   VAL  70           HB       VAL  70  -2.421   4.228   3.944
  422   1HG1  VAL  70          1HG1      VAL  70   0.527   3.848   3.476
  423   2HG1  VAL  70          2HG1      VAL  70  -0.588   4.421   2.236
  424   3HG1  VAL  70          3HG1      VAL  70  -0.350   5.361   3.708
  425   1HG2  VAL  70          1HG2      VAL  70  -1.312   1.500   3.659
  426   2HG2  VAL  70          2HG2      VAL  70  -2.907   2.127   3.243
  427   3HG2  VAL  70          3HG2      VAL  70  -1.534   2.433   2.179
  428    H    ALA  71           H        ALA  71  -3.639   3.166   6.136
  429    HA   ALA  71           HA       ALA  71  -3.509   0.264   6.683
  430   1HB   ALA  71          1HB       ALA  71  -4.937   2.395   8.259
  431   2HB   ALA  71          2HB       ALA  71  -3.599   1.379   8.793
  432   3HB   ALA  71          3HB       ALA  71  -5.183   0.666   8.491
  433    HA   PRO  72           HA       PRO  72  -6.910  -0.413   3.977
  434   1HB   PRO  72          1HB       PRO  72  -8.091  -2.178   6.039
  435   2HB   PRO  72          2HB       PRO  72  -7.637  -2.535   4.368
  436   1HG   PRO  72          1HG       PRO  72  -6.164  -3.432   6.373
  437   2HG   PRO  72          2HG       PRO  72  -5.394  -2.815   4.900
  438   1HD   PRO  72          1HD       PRO  72  -5.747  -1.457   7.556
  439   2HD   PRO  72          2HD       PRO  72  -4.323  -1.490   6.492
  440    H    MET  73           H        MET  73  -9.379  -0.753   4.043
  441    HA   MET  73           HA       MET  73 -10.775   0.840   6.008
  442   1HB   MET  73          1HB       MET  73  -9.709   2.301   4.112
  443   2HB   MET  73          2HB       MET  73 -11.052   1.686   3.164
  444   1HG   MET  73          1HG       MET  73 -11.624   2.871   5.827
  445   2HG   MET  73          2HG       MET  73 -11.230   3.947   4.487
  446   1HE   MET  73          1HE       MET  73 -12.203   4.079   2.450
  447   2HE   MET  73          2HE       MET  73 -13.316   2.886   1.778
  448   3HE   MET  73          3HE       MET  73 -13.939   4.392   2.452
  449    H    MET  74           H        MET  74 -12.269  -0.720   6.444
  450    HA   MET  74           HA       MET  74 -13.372  -2.435   4.458
  451   1HB   MET  74          1HB       MET  74 -13.267  -3.183   6.750
  452   2HB   MET  74          2HB       MET  74 -14.247  -1.826   7.286
  453   1HG   MET  74          1HG       MET  74 -15.627  -3.321   5.257
  454   2HG   MET  74          2HG       MET  74 -15.115  -4.379   6.571
  455   1HE   MET  74          1HE       MET  74 -17.821  -3.793   5.460
  456   2HE   MET  74          2HE       MET  74 -18.948  -3.368   6.749
  457   3HE   MET  74          3HE       MET  74 -18.323  -2.116   5.676
  458    H    ARG  75           H        ARG  75 -14.744  -1.824   2.933
  459    HA   ARG  75           HA       ARG  75 -16.236   0.601   3.066
  460   1HB   ARG  75          1HB       ARG  75 -16.328  -1.717   1.131
  461   2HB   ARG  75          2HB       ARG  75 -17.268  -0.244   0.933
  462   1HG   ARG  75          1HG       ARG  75 -15.270   1.068   0.722
  463   2HG   ARG  75          2HG       ARG  75 -14.263  -0.331   1.103
  464   1HD   ARG  75          1HD       ARG  75 -14.219  -0.010  -1.266
  465   2HD   ARG  75          2HD       ARG  75 -15.177  -1.452  -0.927
  466    HE   ARG  75           HE       ARG  75 -17.168  -0.012  -1.262
  467   1HH1  ARG  75          1HH1      ARG  75 -14.104   0.924  -2.628
  468   2HH1  ARG  75          2HH1      ARG  75 -14.812   1.870  -3.894
  469   1HH2  ARG  75          1HH2      ARG  75 -18.110   1.228  -2.925
  470   2HH2  ARG  75          2HH2      ARG  75 -17.090   2.044  -4.063
  471    H1   ALA  76           H1       ALA  76   5.796   7.903  13.535
  472    H2   ALA  76           H2       ALA  76   6.169   9.539  13.328
  473    H3   ALA  76           H3       ALA  76   4.635   8.963  12.910
  474    HA   ALA  76           HA       ALA  76   5.366   8.760  10.851
  475   1HB   ALA  76          2HB       ALA  76   7.685   9.094  10.227
  476   2HB   ALA  76          1HB       ALA  76   8.186   8.924  11.909
  477   3HB   ALA  76          3HB       ALA  76   7.198  10.300  11.417
  478    HA   PRO  77           HA       PRO  77   5.608   4.239  11.429
  479   1HB   PRO  77          1HB       PRO  77   4.497   4.385   8.682
  480   2HB   PRO  77          2HB       PRO  77   3.921   3.476  10.082
  481   1HG   PRO  77          1HG       PRO  77   2.639   5.659   9.235
  482   2HG   PRO  77          2HG       PRO  77   2.790   5.295  10.964
  483   1HD   PRO  77          1HD       PRO  77   4.292   7.274   9.301
  484   2HD   PRO  77          2HD       PRO  77   3.701   7.419  10.968
  485    H    SER  78           H        SER  78   7.456   3.201  11.076
  486    HA   SER  78           HA       SER  78   9.101   3.929   8.765
  487   1HB   SER  78          1HB       SER  78   9.914   3.798  11.257
  488   2HB   SER  78          2HB       SER  78  10.020   2.069  10.924
  489    HG   SER  78           HG       SER  78  11.221   4.038   9.281
  490    H    ILE  79           H        ILE  79   9.259   2.690   7.053
  491    HA   ILE  79           HA       ILE  79   8.373  -0.108   7.270
  492    HB   ILE  79           HB       ILE  79   7.544   1.975   5.497
  493   1HG1  ILE  79          1HG1      ILE  79   6.237   0.156   6.712
  494   2HG1  ILE  79          2HG1      ILE  79   5.752   0.509   5.060
  495   1HG2  ILE  79          1HG2      ILE  79   9.393   1.151   4.051
  496   2HG2  ILE  79          2HG2      ILE  79   8.609  -0.428   4.024
  497   3HG2  ILE  79          3HG2      ILE  79   7.790   0.974   3.335
  498   1HD1  ILE  79          1HD1      ILE  79   7.732  -1.649   5.413
  499   2HD1  ILE  79          2HD1      ILE  79   6.098  -1.965   5.999
  500   3HD1  ILE  79          3HD1      ILE  79   6.360  -1.531   4.310
  501    H    ASP  80           H        ASP  80   9.658  -1.692   6.552
  502    HA   ASP  80           HA       ASP  80  12.327  -0.929   5.598
  503   1HB   ASP  80          1HB       ASP  80  11.610  -2.612   7.637
  504   2HB   ASP  80          2HB       ASP  80  11.870  -3.745   6.316
  505    H    ARG  81           H        ARG  81  12.709  -1.108   3.504
  506    HA   ARG  81           HA       ARG  81  10.938  -2.381   1.700
  507   1HB   ARG  81          1HB       ARG  81  13.777  -1.477   1.199
  508   2HB   ARG  81          2HB       ARG  81  12.551  -1.791  -0.021
  509   1HG   ARG  81          1HG       ARG  81  11.380   0.068   1.677
  510   2HG   ARG  81          2HG       ARG  81  13.055   0.597   1.516
  511   1HD   ARG  81          1HD       ARG  81  10.912   0.399  -0.529
  512   2HD   ARG  81          2HD       ARG  81  12.144   1.639  -0.300
  513    HE   ARG  81           HE       ARG  81  12.461  -0.895  -1.724
  514   1HH1  ARG  81          1HH1      ARG  81  13.811   2.133  -0.649
  515   2HH1  ARG  81          2HH1      ARG  81  15.178   2.046  -1.708
  516   1HH2  ARG  81          1HH2      ARG  81  14.260  -1.019  -3.116
  517   2HH2  ARG  81          2HH2      ARG  81  15.434   0.255  -3.110
  518    H    SER  82           H        SER  82  13.158  -3.729   3.751
  519    HA   SER  82           HA       SER  82  14.115  -5.811   1.990
  520   1HB   SER  82          1HB       SER  82  14.368  -5.477   4.990
  521   2HB   SER  82          2HB       SER  82  15.174  -6.724   4.038
  522    HG   SER  82           HG       SER  82  15.596  -3.936   4.030
  523    H    THR  83           H        THR  83  11.188  -5.249   3.205
  524    HA   THR  83           HA       THR  83  10.628  -8.104   3.679
  525    HB   THR  83           HB       THR  83   9.066  -7.614   5.309
  526    HG1  THR  83           HG1      THR  83   8.609  -5.073   5.406
  527   1HG2  THR  83          1HG2      THR  83  11.183  -5.479   5.494
  528   2HG2  THR  83          2HG2      THR  83  10.051  -5.844   6.797
  529   3HG2  THR  83          3HG2      THR  83  11.190  -7.073   6.248
  530    H    LYS  84           H        LYS  84  10.558  -6.374   1.174
  531    HA   LYS  84           HA       LYS  84   7.914  -5.904   0.385
  532   1HB   LYS  84          1HB       LYS  84  10.514  -6.261  -0.991
  533   2HB   LYS  84          2HB       LYS  84   9.077  -6.510  -1.974
  534   1HG   LYS  84          1HG       LYS  84   8.623  -4.328  -2.059
  535   2HG   LYS  84          2HG       LYS  84   8.941  -4.102  -0.340
  536   1HD   LYS  84          1HD       LYS  84  10.536  -2.795  -1.525
  537   2HD   LYS  84          2HD       LYS  84  11.391  -4.198  -0.884
  538   1HE   LYS  84          1HE       LYS  84  10.817  -5.243  -3.204
  539   2HE   LYS  84          2HE       LYS  84  10.628  -3.561  -3.700
  540   1HZ   LYS  84          1HZ       LYS  84  12.904  -3.177  -2.794
  541   2HZ   LYS  84          2HZ       LYS  84  13.061  -4.851  -2.600
  542   3HZ   LYS  84          3HZ       LYS  84  12.852  -4.194  -4.144
  543    HA   PRO  85           HA       PRO  85   5.817  -9.717  -0.316
  544   1HB   PRO  85          1HB       PRO  85   5.665  -8.907  -3.190
  545   2HB   PRO  85          2HB       PRO  85   4.389  -9.505  -2.122
  546   1HG   PRO  85          1HG       PRO  85   4.575  -6.911  -2.698
  547   2HG   PRO  85          2HG       PRO  85   4.119  -7.458  -1.074
  548   1HD   PRO  85          1HD       PRO  85   6.674  -6.282  -2.025
  549   2HD   PRO  85          2HD       PRO  85   5.920  -6.203  -0.424
  550    H    ALA  86           H        ALA  86   7.344 -11.286  -0.063
  551    HA   ALA  86           HA       ALA  86   8.635 -12.246  -2.521
  552   1HB   ALA  86          1HB       ALA  86  10.336 -12.877  -0.346
  553   2HB   ALA  86          2HB       ALA  86   9.970 -11.154  -0.259
  554   3HB   ALA  86          3HB       ALA  86  10.666 -11.834  -1.730

  No H/Q in entry =         554
  Start of MODEL    3
    1    H1   GLY  16           H1       GLY  16 -13.387 -11.687   7.956
    2    H2   GLY  16           H2       GLY  16 -13.402 -11.151   9.559
    3    H3   GLY  16           H3       GLY  16 -14.542 -10.559   8.459
    4   1HA   GLY  16          1HA       GLY  16 -11.712  -9.871   8.768
    5   2HA   GLY  16          2HA       GLY  16 -13.089  -8.817   8.481
    6    H    ARG  17           H        ARG  17 -12.799  -7.800   6.619
    7    HA   ARG  17           HA       ARG  17 -11.638  -9.275   4.364
    8   1HB   ARG  17          1HB       ARG  17 -13.551  -7.375   3.394
    9   2HB   ARG  17          2HB       ARG  17 -13.505  -9.115   3.145
   10   1HG   ARG  17          1HG       ARG  17 -14.443  -8.505   5.787
   11   2HG   ARG  17          2HG       ARG  17 -15.400  -7.654   4.572
   12   1HD   ARG  17          1HD       ARG  17 -14.772 -10.594   4.418
   13   2HD   ARG  17          2HD       ARG  17 -16.216  -9.958   5.205
   14    HE   ARG  17           HE       ARG  17 -16.954  -9.152   3.071
   15   1HH1  ARG  17          1HH1      ARG  17 -14.171 -11.248   2.980
   16   2HH1  ARG  17          2HH1      ARG  17 -14.377 -11.661   1.311
   17   1HH2  ARG  17          1HH2      ARG  17 -17.233  -9.691   0.876
   18   2HH2  ARG  17          2HH2      ARG  17 -16.116 -10.775   0.114
   19    H    VAL  18           H        VAL  18 -10.294  -7.575   6.070
   20    HA   VAL  18           HA       VAL  18 -10.104  -4.930   4.996
   21    HB   VAL  18           HB       VAL  18  -7.869  -4.985   6.330
   22   1HG1  VAL  18          1HG1      VAL  18 -10.662  -4.819   7.214
   23   2HG1  VAL  18          2HG1      VAL  18  -9.487  -5.074   8.505
   24   3HG1  VAL  18          3HG1      VAL  18  -9.331  -3.682   7.432
   25   1HG2  VAL  18          1HG2      VAL  18  -8.007  -7.544   6.439
   26   2HG2  VAL  18          2HG2      VAL  18  -7.562  -6.679   7.909
   27   3HG2  VAL  18          3HG2      VAL  18  -9.205  -7.290   7.708
   28    H    ARG  19           H        ARG  19  -9.369  -4.602   2.991
   29    HA   ARG  19           HA       ARG  19  -6.725  -5.522   2.289
   30   1HB   ARG  19          1HB       ARG  19  -7.618  -6.427   0.053
   31   2HB   ARG  19          2HB       ARG  19  -7.775  -7.445   1.479
   32   1HG   ARG  19          1HG       ARG  19 -10.125  -6.435   1.694
   33   2HG   ARG  19          2HG       ARG  19  -9.894  -5.910   0.025
   34   1HD   ARG  19          1HD       ARG  19  -9.912  -8.718   1.104
   35   2HD   ARG  19          2HD       ARG  19 -11.017  -7.997  -0.064
   36    HE   ARG  19           HE       ARG  19  -8.283  -8.024  -0.941
   37   1HH1  ARG  19          1HH1      ARG  19 -11.240  -9.854  -0.749
   38   2HH1  ARG  19          2HH1      ARG  19 -10.848 -10.874  -2.093
   39   1HH2  ARG  19          1HH2      ARG  19  -7.756  -9.363  -2.711
   40   2HH2  ARG  19          2HH2      ARG  19  -8.867 -10.597  -3.208
   41    H    TRP  20           H        TRP  20  -7.290  -2.985   2.710
   42    HA   TRP  20           HA       TRP  20  -7.205  -1.806   0.040
   43   1HB   TRP  20          1HB       TRP  20  -8.988  -0.846   2.289
   44   2HB   TRP  20          2HB       TRP  20  -8.644   0.085   0.834
   45    HD1  TRP  20           HD1      TRP  20 -10.311  -3.220   1.908
   46    HE1  TRP  20           HE1      TRP  20 -12.067  -3.847   0.121
   47    HE3  TRP  20           HE3      TRP  20  -9.404   0.508  -1.469
   48    HZ2  TRP  20           HZ2      TRP  20 -12.934  -2.878  -2.391
   49    HZ3  TRP  20           HZ3      TRP  20 -10.741   0.591  -3.532
   50    HH2  TRP  20           HH2      TRP  20 -12.473  -1.069  -3.979
   51    H    ALA  21           H        ALA  21  -6.163   0.329   0.025
   52    HA   ALA  21           HA       ALA  21  -4.491   0.747   2.399
   53   1HB   ALA  21          1HB       ALA  21  -2.625   0.565   1.197
   54   2HB   ALA  21          2HB       ALA  21  -3.247   1.640  -0.055
   55   3HB   ALA  21          3HB       ALA  21  -3.621  -0.083  -0.105
   56    H    ARG  22           H        ARG  22  -5.385   2.527   3.289
   57    HA   ARG  22           HA       ARG  22  -5.938   4.786   1.495
   58   1HB   ARG  22          1HB       ARG  22  -7.915   4.420   2.683
   59   2HB   ARG  22          2HB       ARG  22  -7.070   4.021   4.174
   60   1HG   ARG  22          1HG       ARG  22  -6.408   6.386   4.396
   61   2HG   ARG  22          2HG       ARG  22  -7.321   6.755   2.933
   62   1HD   ARG  22          1HD       ARG  22  -9.341   6.510   3.963
   63   2HD   ARG  22          2HD       ARG  22  -8.734   5.313   5.106
   64    HE   ARG  22           HE       ARG  22  -7.730   8.000   5.480
   65   1HH1  ARG  22          1HH1      ARG  22 -10.160   5.653   6.339
   66   2HH1  ARG  22          2HH1      ARG  22 -10.555   6.421   7.840
   67   1HH2  ARG  22          1HH2      ARG  22  -8.246   9.019   7.453
   68   2HH2  ARG  22          2HH2      ARG  22  -9.468   8.335   8.473
   69    H    ALA  23           H        ALA  23  -4.262   6.011   1.315
   70    HA   ALA  23           HA       ALA  23  -2.194   6.159   3.268
   71   1HB   ALA  23          3HB       ALA  23  -1.960   8.290   1.413
   72   2HB   ALA  23          1HB       ALA  23  -1.039   6.789   1.491
   73   3HB   ALA  23          2HB       ALA  23  -2.525   6.863   0.546
   74    H    LEU  24           H        LEU  24  -1.899   7.509   4.877
   75    HA   LEU  24           HA       LEU  24  -3.781   9.733   5.236
   76   1HB   LEU  24          1HB       LEU  24  -1.837   8.871   7.336
   77   2HB   LEU  24          2HB       LEU  24  -3.434   9.568   7.525
   78    HG   LEU  24           HG       LEU  24  -3.114   6.801   6.416
   79   1HD1  LEU  24          1HD1      LEU  24  -3.190   7.557   9.333
   80   2HD1  LEU  24          2HD1      LEU  24  -3.349   5.921   8.694
   81   3HD1  LEU  24          3HD1      LEU  24  -1.839   6.809   8.482
   82   1HD2  LEU  24          1HD2      LEU  24  -5.291   8.089   6.363
   83   2HD2  LEU  24          2HD2      LEU  24  -5.342   6.505   7.135
   84   3HD2  LEU  24          3HD2      LEU  24  -5.298   7.966   8.122
   85    H    TYR  25           H        TYR  25  -0.576   8.885   4.536
   86    HA   TYR  25           HA       TYR  25   0.233  11.699   4.412
   87   1HB   TYR  25          1HB       TYR  25   2.370   9.777   5.121
   88   2HB   TYR  25          2HB       TYR  25   2.135  11.439   5.649
   89    HD1  TYR  25           HD1      TYR  25   1.724   7.964   6.479
   90    HD2  TYR  25           HD2      TYR  25   0.454  11.900   7.477
   91    HE1  TYR  25           HE1      TYR  25   0.918   7.146   8.653
   92    HE2  TYR  25           HE2      TYR  25  -0.357  11.092   9.653
   93    HH   TYR  25           HH       TYR  25  -1.012   9.099  10.751
   94    H    ASP  26           H        ASP  26   2.503  11.681   3.161
   95    HA   ASP  26           HA       ASP  26   2.012  10.948   0.548
   96   1HB   ASP  26          1HB       ASP  26   3.961  12.366   1.770
   97   2HB   ASP  26          2HB       ASP  26   4.859  10.908   1.358
   98    H    PHE  27           H        PHE  27   3.807   9.501  -0.659
   99    HA   PHE  27           HA       PHE  27   3.413   6.807   0.428
  100   1HB   PHE  27          1HB       PHE  27   3.625   6.007  -1.810
  101   2HB   PHE  27          2HB       PHE  27   2.569   7.416  -1.860
  102    HD1  PHE  27           HD1      PHE  27   3.376   9.539  -2.777
  103    HD2  PHE  27           HD2      PHE  27   5.751   6.009  -2.871
  104    HE1  PHE  27           HE1      PHE  27   4.832  10.575  -4.470
  105    HE2  PHE  27           HE2      PHE  27   7.215   7.042  -4.568
  106    HZ   PHE  27           HZ       PHE  27   6.755   9.325  -5.367
  107    H    GLU  28           H        GLU  28   5.055   5.294   0.559
  108    HA   GLU  28           HA       GLU  28   7.762   6.411   0.715
  109   1HB   GLU  28          1HB       GLU  28   6.765   3.756   1.743
  110   2HB   GLU  28          2HB       GLU  28   8.309   4.515   2.101
  111   1HG   GLU  28          1HG       GLU  28   6.181   6.295   2.797
  112   2HG   GLU  28          2HG       GLU  28   5.906   4.718   3.533
  113    H    ALA  29           H        ALA  29   6.076   5.099  -1.659
  114    HA   ALA  29           HA       ALA  29   7.641   2.857  -2.435
  115   1HB   ALA  29          3HB       ALA  29   6.371   4.223  -4.650
  116   2HB   ALA  29          1HB       ALA  29   6.082   2.609  -4.001
  117   3HB   ALA  29          2HB       ALA  29   5.274   4.005  -3.286
  118    H    LEU  30           H        LEU  30   9.775   3.141  -2.691
  119    HA   LEU  30           HA       LEU  30  10.686   5.374  -4.377
  120   1HB   LEU  30          1HB       LEU  30  12.780   3.879  -3.018
  121   2HB   LEU  30          2HB       LEU  30  12.484   5.606  -3.062
  122    HG   LEU  30           HG       LEU  30  10.707   3.963  -1.337
  123   1HD1  LEU  30          1HD1      LEU  30  12.951   3.055  -0.895
  124   2HD1  LEU  30          2HD1      LEU  30  13.526   4.685  -0.551
  125   3HD1  LEU  30          3HD1      LEU  30  12.301   3.945   0.481
  126   1HD2  LEU  30          1HD2      LEU  30  11.680   6.737  -1.549
  127   2HD2  LEU  30          2HD2      LEU  30  10.106   6.117  -1.048
  128   3HD2  LEU  30          3HD2      LEU  30  11.455   6.119   0.088
  129    H    GLU  31           H        GLU  31  10.125   2.074  -4.322
  130    HA   GLU  31           HA       GLU  31  12.174   1.461  -6.324
  131   1HB   GLU  31          1HB       GLU  31  11.517  -0.041  -4.293
  132   2HB   GLU  31          2HB       GLU  31  10.167  -0.522  -5.311
  133   1HG   GLU  31          1HG       GLU  31  12.165  -2.023  -5.388
  134   2HG   GLU  31          2HG       GLU  31  11.606  -1.431  -6.951
  135    H    GLU  32           H        GLU  32  11.555   0.280  -8.280
  136    HA   GLU  32           HA       GLU  32   9.332   1.573  -9.574
  137   1HB   GLU  32          1HB       GLU  32  10.109   0.309 -11.579
  138   2HB   GLU  32          2HB       GLU  32  11.357   1.301 -10.838
  139   1HG   GLU  32          1HG       GLU  32  11.966  -0.901  -9.587
  140   2HG   GLU  32          2HG       GLU  32  11.080  -1.663 -10.906
  141    H    ASP  33           H        ASP  33   9.899  -1.442  -8.020
  142    HA   ASP  33           HA       ASP  33   7.763  -2.850  -9.353
  143   1HB   ASP  33          1HB       ASP  33   9.807  -3.476  -7.315
  144   2HB   ASP  33          2HB       ASP  33   8.289  -4.355  -7.155
  145    H    GLU  34           H        GLU  34   7.744  -0.413  -7.173
  146    HA   GLU  34           HA       GLU  34   5.381  -1.450  -5.759
  147   1HB   GLU  34          1HB       GLU  34   7.149   0.873  -4.978
  148   2HB   GLU  34          2HB       GLU  34   5.819   0.211  -4.037
  149   1HG   GLU  34          1HG       GLU  34   7.005  -1.629  -3.389
  150   2HG   GLU  34          2HG       GLU  34   8.041  -1.600  -4.815
  151    H    LEU  35           H        LEU  35   4.269   0.856  -4.871
  152    HA   LEU  35           HA       LEU  35   3.708   2.531  -7.200
  153   1HB   LEU  35          1HB       LEU  35   1.982   0.956  -7.446
  154   2HB   LEU  35          2HB       LEU  35   1.724   0.836  -5.717
  155    HG   LEU  35           HG       LEU  35   0.923   3.279  -5.856
  156   1HD1  LEU  35          1HD1      LEU  35   1.817   3.217  -8.370
  157   2HD1  LEU  35          2HD1      LEU  35   0.154   2.703  -8.652
  158   3HD1  LEU  35          3HD1      LEU  35   0.479   4.243  -7.855
  159   1HD2  LEU  35          1HD2      LEU  35  -0.403   1.036  -5.672
  160   2HD2  LEU  35          2HD2      LEU  35  -1.248   2.546  -6.010
  161   3HD2  LEU  35          3HD2      LEU  35  -0.891   1.423  -7.323
  162    H    GLY  36           H        GLY  36   3.121   4.626  -6.677
  163   1HA   GLY  36          1HA       GLY  36   3.840   6.300  -5.058
  164   2HA   GLY  36          2HA       GLY  36   3.235   5.241  -3.798
  165    H    PHE  37           H        PHE  37   1.698   6.355  -2.829
  166    HA   PHE  37           HA       PHE  37  -0.451   7.519  -4.475
  167   1HB   PHE  37          1HB       PHE  37  -1.645   7.176  -2.078
  168   2HB   PHE  37          2HB       PHE  37  -1.721   5.988  -3.373
  169    HD1  PHE  37           HD1      PHE  37   0.680   6.921  -0.661
  170    HD2  PHE  37           HD2      PHE  37  -1.431   3.830  -2.687
  171    HE1  PHE  37           HE1      PHE  37   1.681   5.255   0.846
  172    HE2  PHE  37           HE2      PHE  37  -0.432   2.159  -1.185
  173    HZ   PHE  37           HZ       PHE  37   1.125   2.870   0.586
  174    H    ARG  38           H        ARG  38  -1.821   8.971  -2.725
  175    HA   ARG  38           HA       ARG  38   0.124  10.758  -1.425
  176   1HB   ARG  38          1HB       ARG  38  -2.282  11.705  -2.986
  177   2HB   ARG  38          2HB       ARG  38  -1.057  12.705  -2.217
  178   1HG   ARG  38          1HG       ARG  38   0.500  11.241  -3.843
  179   2HG   ARG  38          2HG       ARG  38  -0.992  11.271  -4.784
  180   1HD   ARG  38          1HD       ARG  38  -1.035  13.719  -4.617
  181   2HD   ARG  38          2HD       ARG  38   0.467  13.677  -3.694
  182    HE   ARG  38           HE       ARG  38   1.603  12.951  -5.665
  183   1HH1  ARG  38          1HH1      ARG  38  -1.715  13.893  -6.170
  184   2HH1  ARG  38          2HH1      ARG  38  -1.519  14.144  -7.873
  185   1HH2  ARG  38          1HH2      ARG  38   1.870  13.282  -7.905
  186   2HH2  ARG  38          2HH2      ARG  38   0.518  13.796  -8.859
  187    H    SER  39           H        SER  39  -1.033  12.341   0.080
  188    HA   SER  39           HA       SER  39  -2.294  10.978   2.119
  189   1HB   SER  39          1HB       SER  39  -1.335  13.089   2.624
  190   2HB   SER  39          2HB       SER  39  -2.310  13.908   1.404
  191    HG   SER  39           HG       SER  39  -3.585  14.294   3.030
  192    H    GLY  40           H        GLY  40  -4.393  10.697   2.800
  193   1HA   GLY  40          1HA       GLY  40  -6.706  11.808   1.768
  194   2HA   GLY  40          2HA       GLY  40  -6.622  10.231   2.536
  195    H    GLU  41           H        GLU  41  -5.472   8.552   0.944
  196    HA   GLU  41           HA       GLU  41  -7.053   8.686  -1.524
  197   1HB   GLU  41          1HB       GLU  41  -4.100   8.220  -1.291
  198   2HB   GLU  41          2HB       GLU  41  -5.006   7.515  -2.623
  199   1HG   GLU  41          1HG       GLU  41  -5.847  10.110  -2.670
  200   2HG   GLU  41          2HG       GLU  41  -4.165  10.271  -2.171
  201    H    VAL  42           H        VAL  42  -8.251   6.944  -1.799
  202    HA   VAL  42           HA       VAL  42  -7.810   4.605  -0.138
  203    HB   VAL  42           HB       VAL  42  -9.993   4.941  -2.188
  204   1HG1  VAL  42          1HG1      VAL  42  -9.340   2.760  -0.789
  205   2HG1  VAL  42          2HG1      VAL  42 -10.387   3.548   0.392
  206   3HG1  VAL  42          3HG1      VAL  42 -11.004   3.160  -1.214
  207   1HG2  VAL  42          1HG2      VAL  42  -9.968   5.917   0.668
  208   2HG2  VAL  42          2HG2      VAL  42 -10.065   6.911  -0.786
  209   3HG2  VAL  42          3HG2      VAL  42 -11.397   5.836  -0.363
  210    H    VAL  43           H        VAL  43  -7.068   2.675  -0.810
  211    HA   VAL  43           HA       VAL  43  -6.650   2.266  -3.697
  212    HB   VAL  43           HB       VAL  43  -4.681   1.687  -1.479
  213   1HG1  VAL  43          1HG1      VAL  43  -4.909  -0.045  -3.376
  214   2HG1  VAL  43          2HG1      VAL  43  -4.151   1.189  -4.383
  215   3HG1  VAL  43          3HG1      VAL  43  -3.303   0.561  -2.970
  216   1HG2  VAL  43          1HG2      VAL  43  -5.086   3.973  -3.050
  217   2HG2  VAL  43          2HG2      VAL  43  -3.718   3.618  -1.995
  218   3HG2  VAL  43          3HG2      VAL  43  -3.652   3.181  -3.702
  219    H    GLU  44           H        GLU  44  -6.887   0.168  -4.449
  220    HA   GLU  44           HA       GLU  44  -8.217  -1.676  -2.606
  221   1HB   GLU  44          1HB       GLU  44  -9.102  -1.049  -4.953
  222   2HB   GLU  44          2HB       GLU  44  -7.848  -2.117  -5.561
  223   1HG   GLU  44          1HG       GLU  44  -8.809  -3.938  -4.171
  224   2HG   GLU  44          2HG       GLU  44 -10.134  -2.851  -3.754
  225    H    VAL  45           H        VAL  45  -7.019  -3.192  -1.628
  226    HA   VAL  45           HA       VAL  45  -4.342  -3.742  -2.514
  227    HB   VAL  45           HB       VAL  45  -5.961  -4.866  -0.234
  228   1HG1  VAL  45          1HG1      VAL  45  -4.360  -6.545  -1.055
  229   2HG1  VAL  45          2HG1      VAL  45  -3.055  -5.374  -0.863
  230   3HG1  VAL  45          3HG1      VAL  45  -3.938  -5.950   0.550
  231   1HG2  VAL  45          1HG2      VAL  45  -5.226  -2.496  -0.095
  232   2HG2  VAL  45          2HG2      VAL  45  -4.536  -3.525   1.161
  233   3HG2  VAL  45          3HG2      VAL  45  -3.557  -3.048  -0.226
  234    H    LEU  46           H        LEU  46  -3.626  -5.380  -3.685
  235    HA   LEU  46           HA       LEU  46  -5.548  -7.288  -4.742
  236   1HB   LEU  46          1HB       LEU  46  -3.156  -6.015  -5.680
  237   2HB   LEU  46          2HB       LEU  46  -2.966  -7.757  -5.795
  238    HG   LEU  46           HG       LEU  46  -5.499  -6.623  -6.840
  239   1HD1  LEU  46          1HD1      LEU  46  -3.310  -5.244  -7.536
  240   2HD1  LEU  46          2HD1      LEU  46  -3.228  -6.544  -8.724
  241   3HD1  LEU  46          3HD1      LEU  46  -4.665  -5.526  -8.629
  242   1HD2  LEU  46          1HD2      LEU  46  -3.575  -8.770  -7.715
  243   2HD2  LEU  46          2HD2      LEU  46  -5.159  -8.989  -6.971
  244   3HD2  LEU  46          3HD2      LEU  46  -5.033  -8.326  -8.601
  245    H    ASP  47           H        ASP  47  -3.019  -7.140  -2.421
  246    HA   ASP  47           HA       ASP  47  -3.507  -9.817  -1.571
  247   1HB   ASP  47          1HB       ASP  47  -1.519  -9.497  -3.554
  248   2HB   ASP  47          2HB       ASP  47  -0.673  -9.795  -2.038
  249    H    SER  48           H        SER  48  -3.840  -9.002   0.455
  250    HA   SER  48           HA       SER  48  -1.905  -7.277   1.752
  251   1HB   SER  48          1HB       SER  48  -3.544  -8.090   3.760
  252   2HB   SER  48          2HB       SER  48  -3.912  -6.741   2.685
  253    HG   SER  48           HG       SER  48  -5.217  -8.065   1.483
  254    H    SER  49           H        SER  49  -1.751 -10.427   0.989
  255    HA   SER  49           HA       SER  49  -0.880 -11.441   3.531
  256   1HB   SER  49          1HB       SER  49  -1.755 -12.800   1.495
  257   2HB   SER  49          2HB       SER  49  -0.115 -12.631   0.868
  258    HG   SER  49           HG       SER  49   0.598 -13.981   2.339
  259    H    ASN  50           H        ASN  50   0.844 -10.725   4.430
  260    HA   ASN  50           HA       ASN  50   3.443 -10.970   3.770
  261   1HB   ASN  50          1HB       ASN  50   2.220  -8.752   2.316
  262   2HB   ASN  50          2HB       ASN  50   3.630  -8.259   3.248
  263   1HD2  ASN  50          1HD2      ASN  50   2.863  -8.831   0.302
  264   2HD2  ASN  50          2HD2      ASN  50   4.227  -9.705  -0.287
  265    HA   PRO  51           HA       PRO  51   3.486  -9.067   7.755
  266   1HB   PRO  51          1HB       PRO  51   6.090  -8.794   8.252
  267   2HB   PRO  51          2HB       PRO  51   5.375 -10.389   7.986
  268   1HG   PRO  51          1HG       PRO  51   6.999  -8.707   6.134
  269   2HG   PRO  51          2HG       PRO  51   6.991 -10.467   6.338
  270   1HD   PRO  51          1HD       PRO  51   5.638  -9.025   4.345
  271   2HD   PRO  51          2HD       PRO  51   5.356 -10.721   4.782
  272    H    SER  52           H        SER  52   4.474  -7.120   5.123
  273    HA   SER  52           HA       SER  52   3.916  -4.747   6.618
  274   1HB   SER  52          1HB       SER  52   6.587  -5.620   6.676
  275   2HB   SER  52          2HB       SER  52   6.548  -4.265   5.548
  276    HG   SER  52           HG       SER  52   5.073  -3.550   7.592
  277    H    TRP  53           H        TRP  53   5.361  -6.057   3.647
  278    HA   TRP  53           HA       TRP  53   4.264  -3.749   2.191
  279   1HB   TRP  53          1HB       TRP  53   6.522  -5.637   1.667
  280   2HB   TRP  53          2HB       TRP  53   5.725  -4.864   0.301
  281    HD1  TRP  53           HD1      TRP  53   7.964  -4.086   3.294
  282    HE1  TRP  53           HE1      TRP  53   8.975  -1.742   2.984
  283    HE3  TRP  53           HE3      TRP  53   5.296  -2.585  -0.801
  284    HZ2  TRP  53           HZ2      TRP  53   8.683   0.452   1.237
  285    HZ3  TRP  53           HZ3      TRP  53   5.725  -0.346  -1.729
  286    HH2  TRP  53           HH2      TRP  53   7.383   1.139  -0.729
  287    H    TRP  54           H        TRP  54   2.307  -4.075   1.347
  288    HA   TRP  54           HA       TRP  54   1.654  -6.765   0.338
  289   1HB   TRP  54          1HB       TRP  54  -0.316  -4.560   0.972
  290   2HB   TRP  54          2HB       TRP  54  -0.670  -6.238   0.588
  291    HD1  TRP  54           HD1      TRP  54   1.775  -7.154   2.747
  292    HE1  TRP  54           HE1      TRP  54   1.040  -7.314   5.200
  293    HE3  TRP  54           HE3      TRP  54  -2.413  -4.251   2.515
  294    HZ2  TRP  54           HZ2      TRP  54  -1.032  -6.309   6.840
  295    HZ3  TRP  54           HZ3      TRP  54  -3.717  -3.893   4.570
  296    HH2  TRP  54           HH2      TRP  54  -3.040  -4.902   6.689
  297    H    THR  55           H        THR  55   0.741  -7.005  -1.708
  298    HA   THR  55           HA       THR  55   1.449  -4.913  -3.594
  299    HB   THR  55           HB       THR  55   0.216  -7.602  -4.208
  300    HG1  THR  55           HG1      THR  55   2.676  -7.858  -4.750
  301   1HG2  THR  55          1HG2      THR  55   0.968  -5.352  -5.806
  302   2HG2  THR  55          2HG2      THR  55   2.016  -6.716  -6.198
  303   3HG2  THR  55          3HG2      THR  55   0.266  -6.887  -6.317
  304    H    GLY  56           H        GLY  56   0.047  -3.373  -4.133
  305   1HA   GLY  56          1HA       GLY  56  -2.380  -2.737  -3.456
  306   2HA   GLY  56          2HA       GLY  56  -2.782  -4.096  -4.497
  307    H    ARG  57           H        ARG  57  -3.892  -1.772  -5.199
  308    HA   ARG  57           HA       ARG  57  -2.167  -0.430  -7.123
  309   1HB   ARG  57          1HB       ARG  57  -3.880  -0.790  -8.949
  310   2HB   ARG  57          2HB       ARG  57  -2.912  -2.196  -8.507
  311   1HG   ARG  57          1HG       ARG  57  -4.736  -3.362  -8.041
  312   2HG   ARG  57          2HG       ARG  57  -5.287  -2.126  -6.909
  313   1HD   ARG  57          1HD       ARG  57  -5.775  -1.008  -9.392
  314   2HD   ARG  57          2HD       ARG  57  -6.180  -2.708  -9.611
  315    HE   ARG  57           HE       ARG  57  -7.299  -1.418  -7.266
  316   1HH1  ARG  57          1HH1      ARG  57  -7.756  -2.414 -10.574
  317   2HH1  ARG  57          2HH1      ARG  57  -9.486  -2.364 -10.483
  318   1HH2  ARG  57          1HH2      ARG  57  -9.571  -1.347  -7.139
  319   2HH2  ARG  57          2HH2      ARG  57 -10.517  -1.757  -8.531
  320    H    LEU  58           H        LEU  58  -2.649   1.638  -7.394
  321    HA   LEU  58           HA       LEU  58  -5.056   2.689  -6.086
  322   1HB   LEU  58          1HB       LEU  58  -3.021   3.666  -5.271
  323   2HB   LEU  58          2HB       LEU  58  -2.446   3.966  -6.901
  324    HG   LEU  58           HG       LEU  58  -4.973   5.312  -6.384
  325   1HD1  LEU  58          1HD1      LEU  58  -3.246   5.251  -4.188
  326   2HD1  LEU  58          2HD1      LEU  58  -3.001   6.824  -4.949
  327   3HD1  LEU  58          3HD1      LEU  58  -4.618   6.327  -4.449
  328   1HD2  LEU  58          1HD2      LEU  58  -2.600   5.635  -7.890
  329   2HD2  LEU  58          2HD2      LEU  58  -4.080   6.593  -7.958
  330   3HD2  LEU  58          3HD2      LEU  58  -2.779   7.058  -6.863
  331    H    HIS  59           H        HIS  59  -6.719   3.243  -7.334
  332    HA   HIS  59           HA       HIS  59  -7.961   3.910  -9.118
  333   1HB   HIS  59          1HB       HIS  59  -5.327   5.175  -9.879
  334   2HB   HIS  59          2HB       HIS  59  -6.771   5.342 -10.871
  335    HD1  HIS  59           HD1      HIS  59  -8.681   5.619  -8.282
  336    HD2  HIS  59           HD2      HIS  59  -5.315   7.879  -9.188
  337    HE1  HIS  59           HE1      HIS  59  -8.974   7.786  -7.042
  338    HE2  HIS  59           HE2      HIS  59  -6.980   9.180  -7.698
  339    H    ASN  60           H        ASN  60  -5.091   3.662 -11.131
  340    HA   ASN  60           HA       ASN  60  -5.987   1.039 -12.096
  341   1HB   ASN  60          1HB       ASN  60  -5.592   3.536 -13.718
  342   2HB   ASN  60          2HB       ASN  60  -5.327   1.957 -14.449
  343   1HD2  ASN  60          1HD2      ASN  60  -7.021   2.019 -15.842
  344   2HD2  ASN  60          2HD2      ASN  60  -8.674   2.006 -15.341
  345    H    LYS  61           H        LYS  61  -3.571   2.676 -10.731
  346    HA   LYS  61           HA       LYS  61  -1.413   1.466 -12.295
  347   1HB   LYS  61          1HB       LYS  61  -1.350   3.433  -9.995
  348   2HB   LYS  61          2HB       LYS  61   0.077   2.797 -10.801
  349   1HG   LYS  61          1HG       LYS  61  -0.505   3.874 -12.846
  350   2HG   LYS  61          2HG       LYS  61  -2.085   4.338 -12.213
  351   1HD   LYS  61          1HD       LYS  61  -1.190   6.250 -11.519
  352   2HD   LYS  61          2HD       LYS  61  -0.184   5.332 -10.398
  353   1HE   LYS  61          1HE       LYS  61   1.094   6.856 -11.896
  354   2HE   LYS  61          2HE       LYS  61   1.576   5.164 -12.010
  355   1HZ   LYS  61          1HZ       LYS  61   0.229   4.964 -14.015
  356   2HZ   LYS  61          2HZ       LYS  61  -0.208   6.594 -13.907
  357   3HZ   LYS  61          3HZ       LYS  61   1.404   6.167 -14.192
  358    H    LEU  62           H        LEU  62  -0.312  -0.290 -11.595
  359    HA   LEU  62           HA       LEU  62  -1.119  -1.410  -9.004
  360   1HB   LEU  62          1HB       LEU  62   0.450  -2.954 -11.020
  361   2HB   LEU  62          2HB       LEU  62  -0.706  -3.528  -9.834
  362    HG   LEU  62           HG       LEU  62  -1.791  -1.801 -11.978
  363   1HD1  LEU  62          1HD1      LEU  62  -0.088  -3.354 -13.056
  364   2HD1  LEU  62          2HD1      LEU  62  -1.160  -4.672 -12.583
  365   3HD1  LEU  62          3HD1      LEU  62  -1.738  -3.416 -13.676
  366   1HD2  LEU  62          1HD2      LEU  62  -2.852  -3.325  -9.989
  367   2HD2  LEU  62          2HD2      LEU  62  -3.716  -2.821 -11.442
  368   3HD2  LEU  62          3HD2      LEU  62  -2.967  -4.416 -11.371
  369    H    GLY  63           H        GLY  63   0.409  -2.260  -7.560
  370   1HA   GLY  63          1HA       GLY  63   2.885  -0.777  -7.518
  371   2HA   GLY  63          2HA       GLY  63   3.093  -2.510  -7.715
  372    H    LEU  64           H        LEU  64   4.184  -2.648  -5.725
  373    HA   LEU  64           HA       LEU  64   2.560  -3.285  -3.515
  374   1HB   LEU  64          1HB       LEU  64   5.406  -2.622  -3.027
  375   2HB   LEU  64          2HB       LEU  64   4.472  -4.012  -2.507
  376    HG   LEU  64           HG       LEU  64   5.455  -3.619  -5.331
  377   1HD1  LEU  64          1HD1      LEU  64   6.928  -4.317  -3.011
  378   2HD1  LEU  64          2HD1      LEU  64   6.764  -5.759  -4.013
  379   3HD1  LEU  64          3HD1      LEU  64   7.464  -4.288  -4.690
  380   1HD2  LEU  64          1HD2      LEU  64   3.907  -5.715  -3.906
  381   2HD2  LEU  64          2HD2      LEU  64   3.774  -5.139  -5.568
  382   3HD2  LEU  64          3HD2      LEU  64   5.081  -6.232  -5.116
  383    H    PHE  65           H        PHE  65   2.925  -2.329  -1.285
  384    HA   PHE  65           HA       PHE  65   3.552   0.490  -1.198
  385   1HB   PHE  65          1HB       PHE  65   1.450   1.356  -0.772
  386   2HB   PHE  65          2HB       PHE  65   1.062   0.116  -1.962
  387    HD1  PHE  65           HD1      PHE  65   0.938   1.037   1.580
  388    HD2  PHE  65           HD2      PHE  65  -0.235  -1.813  -1.353
  389    HE1  PHE  65           HE1      PHE  65  -0.618   0.044   3.185
  390    HE2  PHE  65           HE2      PHE  65  -1.806  -2.819   0.248
  391    HZ   PHE  65           HZ       PHE  65  -2.001  -1.893   2.528
  392    HA   PRO  66           HA       PRO  66   4.464  -0.585   3.007
  393   1HB   PRO  66          1HB       PRO  66   4.400   1.763   4.256
  394   2HB   PRO  66          2HB       PRO  66   5.568   1.471   2.960
  395   1HG   PRO  66          1HG       PRO  66   2.926   2.884   2.833
  396   2HG   PRO  66          2HG       PRO  66   4.490   3.409   2.196
  397   1HD   PRO  66          1HD       PRO  66   2.601   2.215   0.649
  398   2HD   PRO  66          2HD       PRO  66   4.338   2.055   0.348
  399    H    ALA  67           H        ALA  67   2.831  -1.881   3.838
  400    HA   ALA  67           HA       ALA  67   0.214  -1.019   4.421
  401   1HB   ALA  67          1HB       ALA  67   1.806  -3.353   5.457
  402   2HB   ALA  67          2HB       ALA  67   0.611  -3.348   4.160
  403   3HB   ALA  67          3HB       ALA  67   0.103  -3.090   5.830
  404    H    ASN  68           H        ASN  68   3.113  -0.290   5.960
  405    HA   ASN  68           HA       ASN  68   1.932   0.039   8.599
  406   1HB   ASN  68          1HB       ASN  68   4.033  -0.377   9.243
  407   2HB   ASN  68          2HB       ASN  68   4.591  -0.309   7.577
  408   1HD2  ASN  68          1HD2      ASN  68   5.013   1.886   6.710
  409   2HD2  ASN  68          2HD2      ASN  68   5.700   3.055   7.779
  410    H    TYR  69           H        TYR  69   2.899   1.951   5.835
  411    HA   TYR  69           HA       TYR  69   2.702   4.474   7.177
  412   1HB   TYR  69          1HB       TYR  69   3.750   3.626   4.764
  413   2HB   TYR  69          2HB       TYR  69   2.330   4.550   4.279
  414    HD1  TYR  69           HD1      TYR  69   5.089   4.898   6.791
  415    HD2  TYR  69           HD2      TYR  69   2.741   6.751   3.768
  416    HE1  TYR  69           HE1      TYR  69   6.352   6.986   7.098
  417    HE2  TYR  69           HE2      TYR  69   3.997   8.844   4.066
  418    HH   TYR  69           HH       TYR  69   6.658   9.073   6.410
  419    H    VAL  70           H        VAL  70   0.571   2.530   5.122
  420    HA   VAL  70           HA       VAL  70  -1.633   4.344   5.887
  421    HB   VAL  70           HB       VAL  70  -2.514   4.378   3.797
  422   1HG1  VAL  70          1HG1      VAL  70  -0.203   5.219   3.613
  423   2HG1  VAL  70          2HG1      VAL  70   0.310   3.622   3.070
  424   3HG1  VAL  70          3HG1      VAL  70  -0.815   4.565   2.095
  425   1HG2  VAL  70          1HG2      VAL  70  -1.465   1.589   3.524
  426   2HG2  VAL  70          2HG2      VAL  70  -3.127   2.172   3.426
  427   3HG2  VAL  70          3HG2      VAL  70  -2.002   2.489   2.105
  428    H    ALA  71           H        ALA  71  -3.769   3.322   6.028
  429    HA   ALA  71           HA       ALA  71  -3.596   0.448   6.686
  430   1HB   ALA  71          1HB       ALA  71  -5.315   2.414   8.180
  431   2HB   ALA  71          2HB       ALA  71  -4.943   0.745   8.611
  432   3HB   ALA  71          3HB       ALA  71  -3.683   1.976   8.686
  433    HA   PRO  72           HA       PRO  72  -7.011  -0.302   4.025
  434   1HB   PRO  72          1HB       PRO  72  -8.147  -2.068   6.110
  435   2HB   PRO  72          2HB       PRO  72  -7.695  -2.435   4.441
  436   1HG   PRO  72          1HG       PRO  72  -6.204  -3.286   6.459
  437   2HG   PRO  72          2HG       PRO  72  -5.453  -2.698   4.967
  438   1HD   PRO  72          1HD       PRO  72  -5.773  -1.292   7.599
  439   2HD   PRO  72          2HD       PRO  72  -4.372  -1.325   6.507
  440    H    MET  73           H        MET  73  -9.475  -0.663   4.150
  441    HA   MET  73           HA       MET  73 -10.788   1.024   6.119
  442   1HB   MET  73          1HB       MET  73  -9.908   2.313   4.010
  443   2HB   MET  73          2HB       MET  73 -11.290   1.571   3.218
  444   1HG   MET  73          1HG       MET  73 -11.766   2.975   5.786
  445   2HG   MET  73          2HG       MET  73 -11.409   3.957   4.366
  446   1HE   MET  73          1HE       MET  73 -12.738   3.792   2.123
  447   2HE   MET  73          2HE       MET  73 -12.793   2.031   2.041
  448   3HE   MET  73          3HE       MET  73 -14.283   2.967   1.919
  449    H    MET  74           H        MET  74 -12.091  -0.631   6.811
  450    HA   MET  74           HA       MET  74 -13.351  -2.448   4.994
  451   1HB   MET  74          1HB       MET  74 -12.716  -3.010   7.351
  452   2HB   MET  74          2HB       MET  74 -14.018  -1.963   7.900
  453   1HG   MET  74          1HG       MET  74 -15.490  -3.590   7.664
  454   2HG   MET  74          2HG       MET  74 -15.038  -3.807   5.973
  455   1HE   MET  74          1HE       MET  74 -15.319  -4.908   9.262
  456   2HE   MET  74          2HE       MET  74 -14.869  -6.611   9.174
  457   3HE   MET  74          3HE       MET  74 -13.708  -5.421   9.762
  458    H    ARG  75           H        ARG  75 -14.839  -1.687   3.637
  459    HA   ARG  75           HA       ARG  75 -16.800   0.263   4.607
  460   1HB   ARG  75          1HB       ARG  75 -17.281   0.768   2.340
  461   2HB   ARG  75          2HB       ARG  75 -15.532   0.652   2.459
  462   1HG   ARG  75          1HG       ARG  75 -15.655  -1.642   1.560
  463   2HG   ARG  75          2HG       ARG  75 -17.398  -1.444   1.369
  464   1HD   ARG  75          1HD       ARG  75 -15.220  -0.503  -0.307
  465   2HD   ARG  75          2HD       ARG  75 -16.933  -0.683  -0.680
  466    HE   ARG  75           HE       ARG  75 -15.631   1.703   0.410
  467   1HH1  ARG  75          1HH1      ARG  75 -18.486   0.125  -0.817
  468   2HH1  ARG  75          2HH1      ARG  75 -19.369   1.601  -1.020
  469   1HH2  ARG  75          1HH2      ARG  75 -16.789   3.649   0.146
  470   2HH2  ARG  75          2HH2      ARG  75 -18.406   3.601  -0.474
  471    H1   ALA  76           H1       ALA  76   5.301   8.328  13.312
  472    H2   ALA  76           H2       ALA  76   6.723   9.241  13.240
  473    H3   ALA  76           H3       ALA  76   5.240   9.953  12.846
  474    HA   ALA  76           HA       ALA  76   5.106   8.974  10.819
  475   1HB   ALA  76          1HB       ALA  76   7.656  10.001  11.534
  476   2HB   ALA  76          2HB       ALA  76   7.890   8.667  10.405
  477   3HB   ALA  76          3HB       ALA  76   6.858  10.026   9.962
  478    HA   PRO  77           HA       PRO  77   5.280   4.514  11.265
  479   1HB   PRO  77          1HB       PRO  77   4.299   4.560   8.483
  480   2HB   PRO  77          2HB       PRO  77   3.566   3.840   9.920
  481   1HG   PRO  77          1HG       PRO  77   2.551   6.047   8.791
  482   2HG   PRO  77          2HG       PRO  77   2.541   5.813  10.549
  483   1HD   PRO  77          1HD       PRO  77   4.372   7.484   8.868
  484   2HD   PRO  77          2HD       PRO  77   3.633   7.856  10.439
  485    H    SER  78           H        SER  78   6.999   3.260  10.935
  486    HA   SER  78           HA       SER  78   8.779   3.877   8.683
  487   1HB   SER  78          1HB       SER  78   9.480   3.770  11.242
  488   2HB   SER  78          2HB       SER  78   9.616   2.048  10.888
  489    HG   SER  78           HG       SER  78  10.904   4.142   9.467
  490    H    ILE  79           H        ILE  79   8.880   2.575   7.017
  491    HA   ILE  79           HA       ILE  79   7.938  -0.192   7.343
  492    HB   ILE  79           HB       ILE  79   7.061   1.814   5.541
  493   1HG1  ILE  79          1HG1      ILE  79   5.923  -0.197   6.742
  494   2HG1  ILE  79          2HG1      ILE  79   5.307   0.350   5.190
  495   1HG2  ILE  79          1HG2      ILE  79   8.949   1.133   4.094
  496   2HG2  ILE  79          2HG2      ILE  79   8.289  -0.502   4.055
  497   3HG2  ILE  79          3HG2      ILE  79   7.369   0.837   3.369
  498   1HD1  ILE  79          1HD1      ILE  79   7.324  -1.841   5.273
  499   2HD1  ILE  79          2HD1      ILE  79   5.639  -2.184   5.664
  500   3HD1  ILE  79          3HD1      ILE  79   6.060  -1.518   4.086
  501    H    ASP  80           H        ASP  80   9.229  -1.823   6.727
  502    HA   ASP  80           HA       ASP  80  11.925  -1.131   5.832
  503   1HB   ASP  80          1HB       ASP  80  10.800  -3.145   7.574
  504   2HB   ASP  80          2HB       ASP  80  11.798  -3.891   6.329
  505    H    ARG  81           H        ARG  81  12.431  -1.298   3.761
  506    HA   ARG  81           HA       ARG  81  10.722  -2.512   1.844
  507   1HB   ARG  81          1HB       ARG  81  13.565  -1.518   1.597
  508   2HB   ARG  81          2HB       ARG  81  12.553  -1.998   0.243
  509   1HG   ARG  81          1HG       ARG  81  10.999  -0.161   1.593
  510   2HG   ARG  81          2HG       ARG  81  12.631   0.496   1.714
  511   1HD   ARG  81          1HD       ARG  81  11.015  -0.112  -0.734
  512   2HD   ARG  81          2HD       ARG  81  11.815   1.391  -0.278
  513    HE   ARG  81           HE       ARG  81  12.954  -0.781  -1.730
  514   1HH1  ARG  81          1HH1      ARG  81  13.697   1.751   0.547
  515   2HH1  ARG  81          2HH1      ARG  81  15.359   1.861   0.078
  516   1HH2  ARG  81          1HH2      ARG  81  15.140  -0.642  -2.355
  517   2HH2  ARG  81          2HH2      ARG  81  16.181   0.500  -1.575
  518    H    SER  82           H        SER  82  12.837  -3.878   3.992
  519    HA   SER  82           HA       SER  82  13.856  -5.973   2.275
  520   1HB   SER  82          1HB       SER  82  14.009  -6.384   5.188
  521   2HB   SER  82          2HB       SER  82  15.286  -6.439   3.972
  522    HG   SER  82           HG       SER  82  15.692  -4.375   4.285
  523    H    THR  83           H        THR  83  10.901  -5.356   3.386
  524    HA   THR  83           HA       THR  83  10.265  -8.184   3.915
  525    HB   THR  83           HB       THR  83   8.520  -7.566   5.328
  526    HG1  THR  83           HG1      THR  83   7.515  -6.013   4.032
  527   1HG2  THR  83          1HG2      THR  83  11.000  -6.044   5.662
  528   2HG2  THR  83          2HG2      THR  83   9.620  -5.372   6.531
  529   3HG2  THR  83          3HG2      THR  83  10.116  -7.039   6.819
  530    H    LYS  84           H        LYS  84  10.347  -6.308   1.392
  531    HA   LYS  84           HA       LYS  84   7.794  -6.016   0.346
  532   1HB   LYS  84          1HB       LYS  84  10.523  -6.205  -0.755
  533   2HB   LYS  84          2HB       LYS  84   9.237  -6.605  -1.884
  534   1HG   LYS  84          1HG       LYS  84   8.621  -4.475  -2.104
  535   2HG   LYS  84          2HG       LYS  84   8.705  -4.177  -0.367
  536   1HD   LYS  84          1HD       LYS  84  10.335  -2.770  -1.316
  537   2HD   LYS  84          2HD       LYS  84  11.232  -4.137  -0.656
  538   1HE   LYS  84          1HE       LYS  84  11.734  -4.988  -2.732
  539   2HE   LYS  84          2HE       LYS  84  10.331  -4.239  -3.494
  540   1HZ   LYS  84          1HZ       LYS  84  11.501  -2.057  -3.082
  541   2HZ   LYS  84          2HZ       LYS  84  12.888  -2.959  -2.724
  542   3HZ   LYS  84          3HZ       LYS  84  12.188  -3.056  -4.261
  543    HA   PRO  85           HA       PRO  85   5.894  -9.899  -0.513
  544   1HB   PRO  85          1HB       PRO  85   5.992  -9.054  -3.382
  545   2HB   PRO  85          2HB       PRO  85   4.646  -9.732  -2.458
  546   1HG   PRO  85          1HG       PRO  85   4.779  -7.116  -2.969
  547   2HG   PRO  85          2HG       PRO  85   4.169  -7.720  -1.419
  548   1HD   PRO  85          1HD       PRO  85   6.733  -6.380  -2.045
  549   2HD   PRO  85          2HD       PRO  85   5.829  -6.434  -0.521
  550    H    ALA  86           H        ALA  86   7.516 -11.364  -0.098
  551    HA   ALA  86           HA       ALA  86   9.135 -12.176  -2.420
  552   1HB   ALA  86          1HB       ALA  86  10.898 -12.873  -0.855
  553   2HB   ALA  86          2HB       ALA  86  10.562 -11.145  -0.747
  554   3HB   ALA  86          3HB       ALA  86   9.941 -12.243   0.487

  No H/Q in entry =         554
  Start of MODEL    4
    1    H1   GLY  16           H1       GLY  16 -15.542  -7.341   6.789
    2    H2   GLY  16           H2       GLY  16 -16.235  -8.873   6.603
    3    H3   GLY  16           H3       GLY  16 -15.830  -8.311   8.146
    4   1HA   GLY  16          1HA       GLY  16 -14.235  -9.960   7.279
    5   2HA   GLY  16          2HA       GLY  16 -13.512  -8.410   7.683
    6    H    ARG  17           H        ARG  17 -13.824  -6.811   5.657
    7    HA   ARG  17           HA       ARG  17 -12.717  -8.267   3.352
    8   1HB   ARG  17          1HB       ARG  17 -13.769  -5.852   2.385
    9   2HB   ARG  17          2HB       ARG  17 -14.393  -7.471   2.107
   10   1HG   ARG  17          1HG       ARG  17 -15.320  -6.753   4.632
   11   2HG   ARG  17          2HG       ARG  17 -15.520  -5.315   3.629
   12   1HD   ARG  17          1HD       ARG  17 -16.401  -8.024   2.687
   13   2HD   ARG  17          2HD       ARG  17 -17.440  -7.021   3.697
   14    HE   ARG  17           HE       ARG  17 -17.210  -5.305   1.889
   15   1HH1  ARG  17          1HH1      ARG  17 -16.808  -8.700   1.214
   16   2HH1  ARG  17          2HH1      ARG  17 -17.264  -8.554  -0.451
   17   1HH2  ARG  17          1HH2      ARG  17 -17.812  -5.104  -0.302
   18   2HH2  ARG  17          2HH2      ARG  17 -17.833  -6.511  -1.312
   19    H    VAL  18           H        VAL  18 -11.186  -7.299   5.436
   20    HA   VAL  18           HA       VAL  18 -10.114  -4.717   4.954
   21    HB   VAL  18           HB       VAL  18  -8.693  -7.014   6.302
   22   1HG1  VAL  18          1HG1      VAL  18  -8.117  -4.205   5.899
   23   2HG1  VAL  18          2HG1      VAL  18  -8.139  -4.634   7.610
   24   3HG1  VAL  18          3HG1      VAL  18  -7.076  -5.496   6.499
   25   1HG2  VAL  18          1HG2      VAL  18 -11.040  -6.580   7.153
   26   2HG2  VAL  18          2HG2      VAL  18  -9.744  -6.466   8.343
   27   3HG2  VAL  18          3HG2      VAL  18 -10.455  -4.998   7.672
   28    H    ARG  19           H        ARG  19  -9.547  -4.482   2.803
   29    HA   ARG  19           HA       ARG  19  -6.985  -5.590   2.067
   30   1HB   ARG  19          1HB       ARG  19  -7.911  -6.346  -0.194
   31   2HB   ARG  19          2HB       ARG  19  -8.226  -7.386   1.189
   32   1HG   ARG  19          1HG       ARG  19 -10.445  -7.081   1.074
   33   2HG   ARG  19          2HG       ARG  19 -10.293  -5.369   0.676
   34   1HD   ARG  19          1HD       ARG  19 -11.301  -6.783  -1.128
   35   2HD   ARG  19          2HD       ARG  19  -9.883  -5.857  -1.618
   36    HE   ARG  19           HE       ARG  19  -8.939  -8.323  -0.837
   37   1HH1  ARG  19          1HH1      ARG  19 -11.171  -7.113  -3.225
   38   2HH1  ARG  19          2HH1      ARG  19 -10.856  -8.391  -4.352
   39   1HH2  ARG  19          1HH2      ARG  19  -8.520 -10.006  -2.315
   40   2HH2  ARG  19          2HH2      ARG  19  -9.348 -10.035  -3.835
   41    H    TRP  20           H        TRP  20  -7.395  -3.019   2.598
   42    HA   TRP  20           HA       TRP  20  -7.182  -1.748  -0.024
   43   1HB   TRP  20          1HB       TRP  20  -8.934  -0.725   2.219
   44   2HB   TRP  20          2HB       TRP  20  -8.569   0.160   0.741
   45    HD1  TRP  20           HD1      TRP  20 -10.393  -3.022   1.923
   46    HE1  TRP  20           HE1      TRP  20 -12.175  -3.621   0.148
   47    HE3  TRP  20           HE3      TRP  20  -9.302   0.547  -1.570
   48    HZ2  TRP  20           HZ2      TRP  20 -12.987  -2.691  -2.400
   49    HZ3  TRP  20           HZ3      TRP  20 -10.628   0.633  -3.637
   50    HH2  TRP  20           HH2      TRP  20 -12.438  -0.953  -4.041
   51    H    ALA  21           H        ALA  21  -6.041   0.316   0.045
   52    HA   ALA  21           HA       ALA  21  -4.421   0.615   2.477
   53   1HB   ALA  21          1HB       ALA  21  -2.485   0.794   1.281
   54   2HB   ALA  21          2HB       ALA  21  -3.373  -0.294   0.214
   55   3HB   ALA  21          3HB       ALA  21  -3.298   1.429  -0.149
   56    H    ARG  22           H        ARG  22  -5.297   2.374   3.425
   57    HA   ARG  22           HA       ARG  22  -5.859   4.698   1.722
   58   1HB   ARG  22          1HB       ARG  22  -7.802   4.425   2.913
   59   2HB   ARG  22          2HB       ARG  22  -6.987   3.725   4.305
   60   1HG   ARG  22          1HG       ARG  22  -6.098   6.369   4.183
   61   2HG   ARG  22          2HG       ARG  22  -7.827   6.433   3.835
   62   1HD   ARG  22          1HD       ARG  22  -6.480   5.227   6.243
   63   2HD   ARG  22          2HD       ARG  22  -7.539   6.636   6.199
   64    HE   ARG  22           HE       ARG  22  -9.015   4.525   5.202
   65   1HH1  ARG  22          1HH1      ARG  22  -7.407   5.340   8.183
   66   2HH1  ARG  22          2HH1      ARG  22  -8.489   4.415   9.170
   67   1HH2  ARG  22          1HH2      ARG  22 -10.442   3.301   6.494
   68   2HH2  ARG  22          2HH2      ARG  22 -10.213   3.256   8.210
   69    H    ALA  23           H        ALA  23  -4.189   5.944   1.536
   70    HA   ALA  23           HA       ALA  23  -2.106   6.056   3.504
   71   1HB   ALA  23          1HB       ALA  23  -2.015   6.276   0.882
   72   2HB   ALA  23          3HB       ALA  23  -2.205   7.989   1.254
   73   3HB   ALA  23          2HB       ALA  23  -0.840   7.089   1.917
   74    H    LEU  24           H        LEU  24  -1.993   7.338   5.180
   75    HA   LEU  24           HA       LEU  24  -3.757   9.661   5.388
   76   1HB   LEU  24          1HB       LEU  24  -1.881   9.034   7.584
   77   2HB   LEU  24          2HB       LEU  24  -3.580   9.459   7.651
   78    HG   LEU  24           HG       LEU  24  -2.699   6.744   6.721
   79   1HD1  LEU  24          1HD1      LEU  24  -2.683   7.850   9.456
   80   2HD1  LEU  24          2HD1      LEU  24  -3.439   6.270   9.254
   81   3HD1  LEU  24          3HD1      LEU  24  -1.764   6.514   8.762
   82   1HD2  LEU  24          1HD2      LEU  24  -5.178   8.080   7.011
   83   2HD2  LEU  24          2HD2      LEU  24  -4.882   6.410   6.526
   84   3HD2  LEU  24          3HD2      LEU  24  -5.109   6.806   8.229
   85    H    TYR  25           H        TYR  25  -0.637   8.765   4.575
   86    HA   TYR  25           HA       TYR  25   0.259  11.544   4.455
   87   1HB   TYR  25          1HB       TYR  25   2.379   9.597   5.115
   88   2HB   TYR  25          2HB       TYR  25   2.155  11.248   5.678
   89    HD1  TYR  25           HD1      TYR  25   0.900  11.713   7.698
   90    HD2  TYR  25           HD2      TYR  25   1.364   7.721   6.297
   91    HE1  TYR  25           HE1      TYR  25   0.134  10.865   9.875
   92    HE2  TYR  25           HE2      TYR  25   0.598   6.864   8.471
   93    HH   TYR  25           HH       TYR  25   0.647   8.064  11.045
   94    H    ASP  26           H        ASP  26   2.501  11.462   3.162
   95    HA   ASP  26           HA       ASP  26   1.947  10.770   0.556
   96   1HB   ASP  26          1HB       ASP  26   4.083  11.944   1.917
   97   2HB   ASP  26          2HB       ASP  26   4.792  10.570   1.074
   98    H    PHE  27           H        PHE  27   3.746   9.307  -0.672
   99    HA   PHE  27           HA       PHE  27   3.240   6.595   0.314
  100   1HB   PHE  27          1HB       PHE  27   3.525   5.860  -1.945
  101   2HB   PHE  27          2HB       PHE  27   2.479   7.276  -1.975
  102    HD1  PHE  27           HD1      PHE  27   3.338   9.435  -2.787
  103    HD2  PHE  27           HD2      PHE  27   5.666   5.877  -2.958
  104    HE1  PHE  27           HE1      PHE  27   4.849  10.511  -4.405
  105    HE2  PHE  27           HE2      PHE  27   7.185   6.948  -4.579
  106    HZ   PHE  27           HZ       PHE  27   6.777   9.266  -5.303
  107    H    GLU  28           H        GLU  28   4.835   5.033   0.444
  108    HA   GLU  28           HA       GLU  28   7.565   6.072   0.709
  109   1HB   GLU  28          1HB       GLU  28   6.413   3.452   1.674
  110   2HB   GLU  28          2HB       GLU  28   8.008   4.094   2.052
  111   1HG   GLU  28          1HG       GLU  28   6.065   6.040   2.757
  112   2HG   GLU  28          2HG       GLU  28   5.574   4.487   3.429
  113    H    ALA  29           H        ALA  29   5.954   4.941  -1.756
  114    HA   ALA  29           HA       ALA  29   7.425   2.643  -2.563
  115   1HB   ALA  29          2HB       ALA  29   6.335   2.864  -4.674
  116   2HB   ALA  29          3HB       ALA  29   5.925   4.548  -4.346
  117   3HB   ALA  29          1HB       ALA  29   5.167   3.258  -3.413
  118    H    LEU  30           H        LEU  30   9.574   2.806  -2.719
  119    HA   LEU  30           HA       LEU  30  10.708   5.080  -4.195
  120   1HB   LEU  30          1HB       LEU  30  12.344   3.110  -2.641
  121   2HB   LEU  30          2HB       LEU  30  12.715   4.774  -3.045
  122    HG   LEU  30           HG       LEU  30  10.556   3.991  -1.091
  123   1HD1  LEU  30          1HD1      LEU  30  13.481   4.329  -0.739
  124   2HD1  LEU  30          2HD1      LEU  30  12.418   4.991   0.502
  125   3HD1  LEU  30          3HD1      LEU  30  12.350   3.273   0.107
  126   1HD2  LEU  30          1HD2      LEU  30  11.155   6.407  -2.371
  127   2HD2  LEU  30          2HD2      LEU  30  10.074   6.155  -1.001
  128   3HD2  LEU  30          3HD2      LEU  30  11.766   6.570  -0.725
  129    H    GLU  31           H        GLU  31   9.850   1.868  -4.544
  130    HA   GLU  31           HA       GLU  31  11.910   1.371  -6.588
  131   1HB   GLU  31          1HB       GLU  31  11.010  -0.278  -4.605
  132   2HB   GLU  31          2HB       GLU  31  10.029  -0.802  -5.965
  133   1HG   GLU  31          1HG       GLU  31  12.772  -0.493  -6.762
  134   2HG   GLU  31          2HG       GLU  31  12.644  -1.555  -5.360
  135    H    GLU  32           H        GLU  32  11.313   0.610  -8.673
  136    HA   GLU  32           HA       GLU  32   9.039   1.927  -9.761
  137   1HB   GLU  32          1HB       GLU  32   9.713   0.545 -11.850
  138   2HB   GLU  32          2HB       GLU  32  10.806   1.791 -11.266
  139   1HG   GLU  32          1HG       GLU  32  11.269  -0.861 -10.115
  140   2HG   GLU  32          2HG       GLU  32  11.517  -0.759 -11.857
  141    H    ASP  33           H        ASP  33   9.640  -1.274  -8.582
  142    HA   ASP  33           HA       ASP  33   7.347  -2.467  -9.856
  143   1HB   ASP  33          1HB       ASP  33   9.608  -3.369  -8.291
  144   2HB   ASP  33          2HB       ASP  33   8.111  -4.075  -7.685
  145    H    GLU  34           H        GLU  34   7.626  -0.267  -7.462
  146    HA   GLU  34           HA       GLU  34   5.393  -1.332  -5.882
  147   1HB   GLU  34          1HB       GLU  34   7.337   0.904  -5.283
  148   2HB   GLU  34          2HB       GLU  34   6.002   0.435  -4.238
  149   1HG   GLU  34          1HG       GLU  34   6.987  -1.628  -3.723
  150   2HG   GLU  34          2HG       GLU  34   8.126  -1.514  -5.062
  151    H    LEU  35           H        LEU  35   3.990   0.556  -4.969
  152    HA   LEU  35           HA       LEU  35   3.298   2.360  -7.184
  153   1HB   LEU  35          1HB       LEU  35   1.223   1.576  -7.251
  154   2HB   LEU  35          2HB       LEU  35   1.760   0.263  -6.226
  155    HG   LEU  35           HG       LEU  35   1.179   2.256  -4.403
  156   1HD1  LEU  35          1HD1      LEU  35  -0.422   2.631  -6.850
  157   2HD1  LEU  35          2HD1      LEU  35  -1.308   2.629  -5.326
  158   3HD1  LEU  35          3HD1      LEU  35   0.005   3.778  -5.581
  159   1HD2  LEU  35          1HD2      LEU  35   0.619  -0.234  -4.473
  160   2HD2  LEU  35          2HD2      LEU  35  -0.554   0.837  -3.707
  161   3HD2  LEU  35          3HD2      LEU  35  -0.840   0.240  -5.342
  162    H    GLY  36           H        GLY  36   2.810   4.452  -6.671
  163   1HA   GLY  36          1HA       GLY  36   3.680   6.169  -5.166
  164   2HA   GLY  36          2HA       GLY  36   3.155   5.151  -3.835
  165    H    PHE  37           H        PHE  37   1.572   6.107  -2.797
  166    HA   PHE  37           HA       PHE  37  -0.620   7.305  -4.356
  167   1HB   PHE  37          1HB       PHE  37  -1.738   6.960  -1.942
  168   2HB   PHE  37          2HB       PHE  37  -1.796   5.735  -3.199
  169    HD1  PHE  37           HD1      PHE  37   0.690   6.815  -0.627
  170    HD2  PHE  37           HD2      PHE  37  -1.500   3.620  -2.389
  171    HE1  PHE  37           HE1      PHE  37   1.776   5.230   0.909
  172    HE2  PHE  37           HE2      PHE  37  -0.418   2.029  -0.857
  173    HZ   PHE  37           HZ       PHE  37   1.222   2.833   0.796
  174    H    ARG  38           H        ARG  38  -1.928   8.748  -2.549
  175    HA   ARG  38           HA       ARG  38   0.052  10.580  -1.369
  176   1HB   ARG  38          1HB       ARG  38  -2.460  11.502  -2.764
  177   2HB   ARG  38          2HB       ARG  38  -1.142  12.497  -2.157
  178   1HG   ARG  38          1HG       ARG  38   0.222  10.959  -3.874
  179   2HG   ARG  38          2HG       ARG  38  -1.358  10.955  -4.660
  180   1HD   ARG  38          1HD       ARG  38  -0.747  13.606  -3.788
  181   2HD   ARG  38          2HD       ARG  38   0.616  12.974  -4.711
  182    HE   ARG  38           HE       ARG  38  -0.816  12.722  -6.586
  183   1HH1  ARG  38          1HH1      ARG  38  -2.330  14.283  -3.864
  184   2HH1  ARG  38          2HH1      ARG  38  -3.620  14.957  -4.803
  185   1HH2  ARG  38          1HH2      ARG  38  -2.514  13.600  -7.829
  186   2HH2  ARG  38          2HH2      ARG  38  -3.724  14.569  -7.057
  187    H    SER  39           H        SER  39  -1.076  12.184   0.153
  188    HA   SER  39           HA       SER  39  -2.272  10.781   2.244
  189   1HB   SER  39          1HB       SER  39  -1.308  12.749   2.969
  190   2HB   SER  39          2HB       SER  39  -1.914  13.676   1.597
  191    HG   SER  39           HG       SER  39  -2.917  13.964   3.796
  192    H    GLY  40           H        GLY  40  -4.381  10.678   3.035
  193   1HA   GLY  40          1HA       GLY  40  -6.639  11.934   2.029
  194   2HA   GLY  40          2HA       GLY  40  -6.647  10.381   2.850
  195    H    GLU  41           H        GLU  41  -5.394   8.704   1.128
  196    HA   GLU  41           HA       GLU  41  -7.160   8.808  -1.225
  197   1HB   GLU  41          1HB       GLU  41  -4.221   8.213  -1.103
  198   2HB   GLU  41          2HB       GLU  41  -5.214   7.557  -2.398
  199   1HG   GLU  41          1HG       GLU  41  -5.233  10.485  -1.794
  200   2HG   GLU  41          2HG       GLU  41  -3.955   9.770  -2.774
  201    H    VAL  42           H        VAL  42  -7.914   6.845  -2.030
  202    HA   VAL  42           HA       VAL  42  -7.692   4.600  -0.139
  203    HB   VAL  42           HB       VAL  42  -9.868   4.973  -2.192
  204   1HG1  VAL  42          1HG1      VAL  42  -9.156   2.848  -0.491
  205   2HG1  VAL  42          2HG1      VAL  42 -10.624   3.561   0.177
  206   3HG1  VAL  42          3HG1      VAL  42 -10.599   2.998  -1.494
  207   1HG2  VAL  42          1HG2      VAL  42  -9.433   6.569   0.081
  208   2HG2  VAL  42          2HG2      VAL  42 -10.868   6.511  -0.942
  209   3HG2  VAL  42          3HG2      VAL  42 -10.758   5.477   0.483
  210    H    VAL  43           H        VAL  43  -6.998   2.645  -0.818
  211    HA   VAL  43           HA       VAL  43  -6.528   2.261  -3.699
  212    HB   VAL  43           HB       VAL  43  -4.619   1.472  -1.495
  213   1HG1  VAL  43          1HG1      VAL  43  -4.941   0.396  -4.043
  214   2HG1  VAL  43          2HG1      VAL  43  -3.549   1.472  -4.172
  215   3HG1  VAL  43          3HG1      VAL  43  -3.561   0.185  -2.966
  216   1HG2  VAL  43          1HG2      VAL  43  -4.974   3.987  -2.518
  217   2HG2  VAL  43          2HG2      VAL  43  -3.492   3.384  -1.776
  218   3HG2  VAL  43          3HG2      VAL  43  -3.680   3.343  -3.529
  219    H    GLU  44           H        GLU  44  -6.927   0.223  -4.495
  220    HA   GLU  44           HA       GLU  44  -8.279  -1.613  -2.675
  221   1HB   GLU  44          1HB       GLU  44  -9.266  -1.013  -4.906
  222   2HB   GLU  44          2HB       GLU  44  -7.932  -1.862  -5.667
  223   1HG   GLU  44          1HG       GLU  44  -8.639  -3.944  -4.835
  224   2HG   GLU  44          2HG       GLU  44  -9.763  -3.194  -3.703
  225    H    VAL  45           H        VAL  45  -7.017  -2.980  -1.602
  226    HA   VAL  45           HA       VAL  45  -4.449  -3.790  -2.617
  227    HB   VAL  45           HB       VAL  45  -5.947  -4.575  -0.118
  228   1HG1  VAL  45          1HG1      VAL  45  -3.561  -5.736  -1.349
  229   2HG1  VAL  45          2HG1      VAL  45  -3.337  -5.245   0.330
  230   3HG1  VAL  45          3HG1      VAL  45  -4.619  -6.380  -0.093
  231   1HG2  VAL  45          1HG2      VAL  45  -4.986  -2.221  -0.446
  232   2HG2  VAL  45          2HG2      VAL  45  -4.557  -3.088   1.028
  233   3HG2  VAL  45          3HG2      VAL  45  -3.407  -2.993  -0.306
  234    H    LEU  46           H        LEU  46  -3.854  -5.720  -3.440
  235    HA   LEU  46           HA       LEU  46  -6.021  -7.617  -4.035
  236   1HB   LEU  46          1HB       LEU  46  -3.868  -6.467  -5.606
  237   2HB   LEU  46          2HB       LEU  46  -3.865  -8.221  -5.687
  238    HG   LEU  46           HG       LEU  46  -6.278  -6.514  -6.293
  239   1HD1  LEU  46          1HD1      LEU  46  -3.939  -6.889  -7.838
  240   2HD1  LEU  46          2HD1      LEU  46  -5.230  -7.827  -8.587
  241   3HD1  LEU  46          3HD1      LEU  46  -5.446  -6.100  -8.303
  242   1HD2  LEU  46          1HD2      LEU  46  -5.672  -9.445  -6.493
  243   2HD2  LEU  46          2HD2      LEU  46  -7.043  -8.645  -5.723
  244   3HD2  LEU  46          3HD2      LEU  46  -6.923  -8.692  -7.482
  245    H    ASP  47           H        ASP  47  -3.022  -7.246  -2.395
  246    HA   ASP  47           HA       ASP  47  -3.166 -10.014  -1.522
  247   1HB   ASP  47          1HB       ASP  47  -1.412  -9.336  -3.571
  248   2HB   ASP  47          2HB       ASP  47  -0.402  -9.352  -2.128
  249    H    SER  48           H        SER  48  -3.716  -9.106   0.488
  250    HA   SER  48           HA       SER  48  -1.873  -7.323   1.846
  251   1HB   SER  48          1HB       SER  48  -3.953  -8.700   3.425
  252   2HB   SER  48          2HB       SER  48  -3.557  -6.985   3.334
  253    HG   SER  48           HG       SER  48  -5.237  -6.818   2.099
  254    H    SER  49           H        SER  49  -1.715 -10.525   1.150
  255    HA   SER  49           HA       SER  49  -0.878 -11.451   3.734
  256   1HB   SER  49          1HB       SER  49  -1.422 -13.326   2.556
  257   2HB   SER  49          2HB       SER  49  -1.055 -12.576   1.003
  258    HG   SER  49           HG       SER  49   1.139 -12.954   1.396
  259    H    ASN  50           H        ASN  50   0.830 -10.710   4.631
  260    HA   ASN  50           HA       ASN  50   3.440 -10.989   4.025
  261   1HB   ASN  50          1HB       ASN  50   2.250  -8.805   2.487
  262   2HB   ASN  50          2HB       ASN  50   3.658  -8.305   3.416
  263   1HD2  ASN  50          1HD2      ASN  50   2.919  -8.930   0.486
  264   2HD2  ASN  50          2HD2      ASN  50   4.272  -9.842  -0.069
  265    HA   PRO  51           HA       PRO  51   3.370  -8.936   7.938
  266   1HB   PRO  51          1HB       PRO  51   5.959  -8.874   8.564
  267   2HB   PRO  51          2HB       PRO  51   5.113 -10.407   8.328
  268   1HG   PRO  51          1HG       PRO  51   7.007  -8.991   6.519
  269   2HG   PRO  51          2HG       PRO  51   6.771 -10.729   6.761
  270   1HD   PRO  51          1HD       PRO  51   5.698  -9.151   4.676
  271   2HD   PRO  51          2HD       PRO  51   5.258 -10.823   5.075
  272    H    SER  52           H        SER  52   4.348  -7.134   5.287
  273    HA   SER  52           HA       SER  52   4.114  -4.700   6.736
  274   1HB   SER  52          1HB       SER  52   6.732  -5.821   6.615
  275   2HB   SER  52          2HB       SER  52   6.707  -4.355   5.635
  276    HG   SER  52           HG       SER  52   7.181  -3.915   7.830
  277    H    TRP  53           H        TRP  53   5.244  -6.231   3.741
  278    HA   TRP  53           HA       TRP  53   4.291  -3.843   2.295
  279   1HB   TRP  53          1HB       TRP  53   6.541  -5.735   1.799
  280   2HB   TRP  53          2HB       TRP  53   5.745  -5.009   0.410
  281    HD1  TRP  53           HD1      TRP  53   7.921  -4.101   3.424
  282    HE1  TRP  53           HE1      TRP  53   8.949  -1.777   3.023
  283    HE3  TRP  53           HE3      TRP  53   5.378  -2.814  -0.816
  284    HZ2  TRP  53           HZ2      TRP  53   8.710   0.327   1.154
  285    HZ3  TRP  53           HZ3      TRP  53   5.835  -0.628  -1.848
  286    HH2  TRP  53           HH2      TRP  53   7.467   0.909  -0.883
  287    H    TRP  54           H        TRP  54   2.343  -4.128   1.416
  288    HA   TRP  54           HA       TRP  54   1.671  -6.800   0.368
  289   1HB   TRP  54          1HB       TRP  54  -0.332  -4.624   0.973
  290   2HB   TRP  54          2HB       TRP  54  -0.634  -6.327   0.657
  291    HD1  TRP  54           HD1      TRP  54   1.739  -7.213   2.830
  292    HE1  TRP  54           HE1      TRP  54   1.036  -7.236   5.297
  293    HE3  TRP  54           HE3      TRP  54  -2.320  -4.134   2.533
  294    HZ2  TRP  54           HZ2      TRP  54  -0.966  -6.072   6.921
  295    HZ3  TRP  54           HZ3      TRP  54  -3.575  -3.633   4.589
  296    HH2  TRP  54           HH2      TRP  54  -2.911  -4.584   6.737
  297    H    THR  55           H        THR  55   0.926  -7.019  -1.716
  298    HA   THR  55           HA       THR  55   1.553  -4.820  -3.504
  299    HB   THR  55           HB       THR  55   0.488  -7.512  -4.340
  300    HG1  THR  55           HG1      THR  55   3.230  -6.840  -3.961
  301   1HG2  THR  55          1HG2      THR  55   0.800  -5.454  -5.907
  302   2HG2  THR  55          2HG2      THR  55   2.514  -5.853  -5.791
  303   3HG2  THR  55          3HG2      THR  55   1.375  -7.038  -6.429
  304    H    GLY  56           H        GLY  56   0.079  -3.363  -4.028
  305   1HA   GLY  56          1HA       GLY  56  -2.410  -2.912  -3.430
  306   2HA   GLY  56          2HA       GLY  56  -2.678  -4.243  -4.549
  307    H    ARG  57           H        ARG  57  -3.949  -2.129  -5.355
  308    HA   ARG  57           HA       ARG  57  -2.179  -0.566  -7.086
  309   1HB   ARG  57          1HB       ARG  57  -3.766  -0.942  -9.004
  310   2HB   ARG  57          2HB       ARG  57  -2.793  -2.335  -8.536
  311   1HG   ARG  57          1HG       ARG  57  -4.590  -3.522  -7.838
  312   2HG   ARG  57          2HG       ARG  57  -5.455  -2.092  -7.274
  313   1HD   ARG  57          1HD       ARG  57  -6.488  -1.786  -9.247
  314   2HD   ARG  57          2HD       ARG  57  -5.052  -2.211 -10.176
  315    HE   ARG  57           HE       ARG  57  -5.651  -4.522  -9.935
  316   1HH1  ARG  57          1HH1      ARG  57  -8.080  -2.243  -8.909
  317   2HH1  ARG  57          2HH1      ARG  57  -9.381  -3.380  -9.030
  318   1HH2  ARG  57          1HH2      ARG  57  -7.359  -6.023 -10.098
  319   2HH2  ARG  57          2HH2      ARG  57  -8.972  -5.528  -9.705
  320    H    LEU  58           H        LEU  58  -2.725   1.498  -7.307
  321    HA   LEU  58           HA       LEU  58  -5.212   2.424  -6.054
  322   1HB   LEU  58          1HB       LEU  58  -3.207   3.431  -5.171
  323   2HB   LEU  58          2HB       LEU  58  -2.641   3.832  -6.782
  324    HG   LEU  58           HG       LEU  58  -5.235   5.022  -6.008
  325   1HD1  LEU  58          1HD1      LEU  58  -3.215   5.100  -4.124
  326   2HD1  LEU  58          2HD1      LEU  58  -3.060   6.629  -4.988
  327   3HD1  LEU  58          3HD1      LEU  58  -4.594   6.192  -4.235
  328   1HD2  LEU  58          1HD2      LEU  58  -2.742   5.932  -7.422
  329   2HD2  LEU  58          2HD2      LEU  58  -4.335   5.624  -8.112
  330   3HD2  LEU  58          3HD2      LEU  58  -4.088   7.011  -7.052
  331    H    HIS  59           H        HIS  59  -6.864   2.832  -7.379
  332    HA   HIS  59           HA       HIS  59  -8.088   3.521  -9.169
  333   1HB   HIS  59          1HB       HIS  59  -5.553   5.066  -9.593
  334   2HB   HIS  59          2HB       HIS  59  -6.786   5.063 -10.849
  335    HD1  HIS  59           HD1      HIS  59  -8.600   6.739 -10.602
  336    HD2  HIS  59           HD2      HIS  59  -6.592   6.074  -7.026
  337    HE1  HIS  59           HE1      HIS  59  -9.535   8.421  -8.984
  338    HE2  HIS  59           HE2      HIS  59  -8.246   8.055  -6.852
  339    H    ASN  60           H        ASN  60  -5.046   3.494 -10.961
  340    HA   ASN  60           HA       ASN  60  -5.747   0.919 -12.162
  341   1HB   ASN  60          1HB       ASN  60  -6.045   3.456 -13.472
  342   2HB   ASN  60          2HB       ASN  60  -4.772   2.541 -14.274
  343   1HD2  ASN  60          1HD2      ASN  60  -6.689   2.920 -15.878
  344   2HD2  ASN  60          2HD2      ASN  60  -7.767   1.579 -16.028
  345    H    LYS  61           H        LYS  61  -3.585   2.424 -10.461
  346    HA   LYS  61           HA       LYS  61  -1.228   1.557 -11.990
  347   1HB   LYS  61          1HB       LYS  61  -1.129   3.141  -9.437
  348   2HB   LYS  61          2HB       LYS  61   0.057   3.066 -10.729
  349   1HG   LYS  61          1HG       LYS  61  -1.557   4.269 -12.193
  350   2HG   LYS  61          2HG       LYS  61  -2.607   4.459 -10.788
  351   1HD   LYS  61          1HD       LYS  61  -1.456   6.449 -10.743
  352   2HD   LYS  61          2HD       LYS  61  -0.445   5.456  -9.692
  353   1HE   LYS  61          1HE       LYS  61   1.084   5.018 -11.506
  354   2HE   LYS  61          2HE       LYS  61   0.034   5.866 -12.640
  355   1HZ   LYS  61          1HZ       LYS  61   0.564   7.629 -10.565
  356   2HZ   LYS  61          2HZ       LYS  61   2.046   6.919 -10.966
  357   3HZ   LYS  61          3HZ       LYS  61   1.136   7.708 -12.156
  358    H    LEU  62           H        LEU  62  -0.222  -0.273 -11.399
  359    HA   LEU  62           HA       LEU  62  -0.976  -1.483  -8.832
  360   1HB   LEU  62          1HB       LEU  62   0.544  -3.023 -10.864
  361   2HB   LEU  62          2HB       LEU  62  -0.716  -3.554  -9.766
  362    HG   LEU  62           HG       LEU  62  -2.083  -1.867 -11.453
  363   1HD1  LEU  62          1HD1      LEU  62  -0.100  -1.696 -12.902
  364   2HD1  LEU  62          2HD1      LEU  62  -0.127  -3.446 -13.115
  365   3HD1  LEU  62          3HD1      LEU  62  -1.466  -2.464 -13.712
  366   1HD2  LEU  62          1HD2      LEU  62  -1.680  -4.845 -11.698
  367   2HD2  LEU  62          2HD2      LEU  62  -2.841  -4.034 -10.646
  368   3HD2  LEU  62          3HD2      LEU  62  -3.012  -3.925 -12.398
  369    H    GLY  63           H        GLY  63   0.547  -2.309  -7.411
  370   1HA   GLY  63          1HA       GLY  63   3.053  -0.902  -7.373
  371   2HA   GLY  63          2HA       GLY  63   3.232  -2.618  -7.693
  372    H    LEU  64           H        LEU  64   4.512  -2.395  -5.643
  373    HA   LEU  64           HA       LEU  64   2.888  -3.311  -3.444
  374   1HB   LEU  64          1HB       LEU  64   5.698  -2.804  -2.846
  375   2HB   LEU  64          2HB       LEU  64   4.765  -4.279  -2.690
  376    HG   LEU  64           HG       LEU  64   5.847  -3.317  -5.332
  377   1HD1  LEU  64          1HD1      LEU  64   7.534  -3.854  -3.390
  378   2HD1  LEU  64          2HD1      LEU  64   7.136  -5.521  -3.805
  379   3HD1  LEU  64          3HD1      LEU  64   7.813  -4.445  -5.028
  380   1HD2  LEU  64          1HD2      LEU  64   4.249  -5.580  -4.415
  381   2HD2  LEU  64          2HD2      LEU  64   4.476  -4.934  -6.040
  382   3HD2  LEU  64          3HD2      LEU  64   5.660  -6.052  -5.363
  383    H    PHE  65           H        PHE  65   2.729  -2.351  -1.385
  384    HA   PHE  65           HA       PHE  65   3.662   0.426  -1.167
  385   1HB   PHE  65          1HB       PHE  65   1.574   1.307  -0.681
  386   2HB   PHE  65          2HB       PHE  65   1.166   0.113  -1.911
  387    HD1  PHE  65           HD1      PHE  65   1.042   0.936   1.649
  388    HD2  PHE  65           HD2      PHE  65  -0.113  -1.849  -1.350
  389    HE1  PHE  65           HE1      PHE  65  -0.510  -0.108   3.231
  390    HE2  PHE  65           HE2      PHE  65  -1.677  -2.903   0.226
  391    HZ   PHE  65           HZ       PHE  65  -1.880  -2.036   2.524
  392    HA   PRO  66           HA       PRO  66   4.577  -0.666   3.036
  393   1HB   PRO  66          1HB       PRO  66   4.475   1.666   4.303
  394   2HB   PRO  66          2HB       PRO  66   5.646   1.410   3.001
  395   1HG   PRO  66          1HG       PRO  66   2.972   2.773   2.886
  396   2HG   PRO  66          2HG       PRO  66   4.529   3.338   2.258
  397   1HD   PRO  66          1HD       PRO  66   2.669   2.119   0.696
  398   2HD   PRO  66          2HD       PRO  66   4.411   1.994   0.401
  399    H    ALA  67           H        ALA  67   3.039  -1.964   3.968
  400    HA   ALA  67           HA       ALA  67   0.380  -1.169   4.518
  401   1HB   ALA  67          1HB       ALA  67   1.348  -3.538   4.280
  402   2HB   ALA  67          2HB       ALA  67   1.770  -3.381   5.985
  403   3HB   ALA  67          3HB       ALA  67   0.084  -3.268   5.480
  404    H    ASN  68           H        ASN  68   3.318  -0.541   6.124
  405    HA   ASN  68           HA       ASN  68   2.121  -0.163   8.737
  406   1HB   ASN  68          1HB       ASN  68   4.229  -0.536   9.389
  407   2HB   ASN  68          2HB       ASN  68   4.775  -0.504   7.717
  408   1HD2  ASN  68          1HD2      ASN  68   5.163   1.680   6.796
  409   2HD2  ASN  68          2HD2      ASN  68   5.860   2.874   7.833
  410    H    TYR  69           H        TYR  69   3.090   1.758   5.981
  411    HA   TYR  69           HA       TYR  69   2.903   4.278   7.311
  412   1HB   TYR  69          1HB       TYR  69   4.003   3.479   4.965
  413   2HB   TYR  69          2HB       TYR  69   2.514   4.217   4.385
  414    HD1  TYR  69           HD1      TYR  69   2.626   6.445   3.822
  415    HD2  TYR  69           HD2      TYR  69   5.233   4.970   6.841
  416    HE1  TYR  69           HE1      TYR  69   3.658   8.669   4.007
  417    HE2  TYR  69           HE2      TYR  69   6.273   7.192   7.037
  418    HH   TYR  69           HH       TYR  69   6.122   9.357   6.447
  419    H    VAL  70           H        VAL  70   0.723   2.392   5.231
  420    HA   VAL  70           HA       VAL  70  -1.431   4.239   6.049
  421    HB   VAL  70           HB       VAL  70  -2.339   4.312   3.958
  422   1HG1  VAL  70          1HG1      VAL  70  -0.034   5.220   3.887
  423   2HG1  VAL  70          2HG1      VAL  70   0.518   3.674   3.241
  424   3HG1  VAL  70          3HG1      VAL  70  -0.616   4.662   2.318
  425   1HG2  VAL  70          1HG2      VAL  70  -2.611   1.842   3.798
  426   2HG2  VAL  70          2HG2      VAL  70  -2.206   2.614   2.265
  427   3HG2  VAL  70          3HG2      VAL  70  -0.966   1.746   3.169
  428    H    ALA  71           H        ALA  71  -3.519   3.365   6.361
  429    HA   ALA  71           HA       ALA  71  -3.531   0.460   6.901
  430   1HB   ALA  71          1HB       ALA  71  -4.812   2.725   8.404
  431   2HB   ALA  71          2HB       ALA  71  -3.642   1.543   8.989
  432   3HB   ALA  71          3HB       ALA  71  -5.294   1.043   8.628
  433    HA   PRO  72           HA       PRO  72  -6.862  -0.074   4.085
  434   1HB   PRO  72          1HB       PRO  72  -8.109  -1.921   6.023
  435   2HB   PRO  72          2HB       PRO  72  -7.571  -2.215   4.367
  436   1HG   PRO  72          1HG       PRO  72  -6.208  -3.178   6.427
  437   2HG   PRO  72          2HG       PRO  72  -5.369  -2.544   5.000
  438   1HD   PRO  72          1HD       PRO  72  -5.810  -1.233   7.665
  439   2HD   PRO  72          2HD       PRO  72  -4.350  -1.256   6.652
  440    H    MET  73           H        MET  73  -9.300  -0.424   4.071
  441    HA   MET  73           HA       MET  73 -10.695   1.273   6.000
  442   1HB   MET  73          1HB       MET  73  -9.905   2.395   3.734
  443   2HB   MET  73          2HB       MET  73 -11.303   1.554   3.085
  444   1HG   MET  73          1HG       MET  73 -11.934   2.987   5.522
  445   2HG   MET  73          2HG       MET  73 -11.284   4.045   4.271
  446   1HE   MET  73          1HE       MET  73 -12.041   4.064   1.911
  447   2HE   MET  73          2HE       MET  73 -12.599   2.447   1.481
  448   3HE   MET  73          3HE       MET  73 -13.705   3.817   1.385
  449    H    MET  74           H        MET  74 -11.901  -0.387   6.840
  450    HA   MET  74           HA       MET  74 -13.017  -2.466   5.257
  451   1HB   MET  74          1HB       MET  74 -12.533  -2.890   7.563
  452   2HB   MET  74          2HB       MET  74 -13.566  -1.566   8.083
  453   1HG   MET  74          1HG       MET  74 -15.274  -3.150   6.626
  454   2HG   MET  74          2HG       MET  74 -14.233  -4.319   7.438
  455   1HE   MET  74          1HE       MET  74 -14.826  -5.343   9.094
  456   2HE   MET  74          2HE       MET  74 -15.259  -4.722  10.686
  457   3HE   MET  74          3HE       MET  74 -16.523  -5.176   9.544
  458    H    ARG  75           H        ARG  75 -14.567  -2.173   3.831
  459    HA   ARG  75           HA       ARG  75 -16.375   0.024   3.884
  460   1HB   ARG  75          1HB       ARG  75 -16.336  -2.506   2.233
  461   2HB   ARG  75          2HB       ARG  75 -17.470  -1.188   1.976
  462   1HG   ARG  75          1HG       ARG  75 -15.227   0.219   1.861
  463   2HG   ARG  75          2HG       ARG  75 -14.572  -1.348   1.380
  464   1HD   ARG  75          1HD       ARG  75 -15.996  -1.483  -0.490
  465   2HD   ARG  75          2HD       ARG  75 -17.025  -0.177   0.099
  466    HE   ARG  75           HE       ARG  75 -14.425   0.095  -1.201
  467   1HH1  ARG  75          1HH1      ARG  75 -17.141   1.597   0.381
  468   2HH1  ARG  75          2HH1      ARG  75 -16.779   3.181  -0.216
  469   1HH2  ARG  75          1HH2      ARG  75 -13.937   2.177  -1.990
  470   2HH2  ARG  75          2HH2      ARG  75 -14.956   3.512  -1.566
  471    H1   ALA  76           H1       ALA  76   4.980   7.804  13.496
  472    H2   ALA  76           H2       ALA  76   5.741   9.303  13.678
  473    H3   ALA  76           H3       ALA  76   4.190   9.218  13.006
  474    HA   ALA  76           HA       ALA  76   4.981   8.941  10.988
  475   1HB   ALA  76          1HB       ALA  76   7.347   9.680  12.569
  476   2HB   ALA  76          3HB       ALA  76   7.683   8.982  10.984
  477   3HB   ALA  76          2HB       ALA  76   6.671  10.420  11.118
  478    HA   PRO  77           HA       PRO  77   5.423   4.383  11.339
  479   1HB   PRO  77          1HB       PRO  77   4.324   4.031   8.817
  480   2HB   PRO  77          2HB       PRO  77   3.421   4.015  10.333
  481   1HG   PRO  77          1HG       PRO  77   3.791   6.230   8.372
  482   2HG   PRO  77          2HG       PRO  77   2.340   5.772   9.282
  483   1HD   PRO  77          1HD       PRO  77   3.825   7.872  10.009
  484   2HD   PRO  77          2HD       PRO  77   3.090   6.804  11.226
  485    H    SER  78           H        SER  78   7.214   3.336  10.777
  486    HA   SER  78           HA       SER  78   8.695   4.263   8.405
  487   1HB   SER  78          1HB       SER  78   9.852   4.638  10.585
  488   2HB   SER  78          2HB       SER  78   9.831   2.895  10.853
  489    HG   SER  78           HG       SER  78  11.133   2.639   9.035
  490    H    ILE  79           H        ILE  79   8.835   2.934   6.780
  491    HA   ILE  79           HA       ILE  79   8.416   0.068   7.276
  492    HB   ILE  79           HB       ILE  79   7.058   1.840   5.527
  493   1HG1  ILE  79          1HG1      ILE  79   6.311  -0.204   6.903
  494   2HG1  ILE  79          2HG1      ILE  79   5.537   0.079   5.351
  495   1HG2  ILE  79          1HG2      ILE  79   8.833   1.399   3.887
  496   2HG2  ILE  79          2HG2      ILE  79   8.505  -0.329   4.012
  497   3HG2  ILE  79          3HG2      ILE  79   7.273   0.758   3.370
  498   1HD1  ILE  79          1HD1      ILE  79   7.767  -1.879   5.855
  499   2HD1  ILE  79          2HD1      ILE  79   6.056  -2.282   5.722
  500   3HD1  ILE  79          3HD1      ILE  79   6.919  -1.631   4.329
  501    H    ASP  80           H        ASP  80   9.792  -1.385   6.437
  502    HA   ASP  80           HA       ASP  80  12.204  -0.329   5.130
  503   1HB   ASP  80          1HB       ASP  80  11.788  -2.847   6.757
  504   2HB   ASP  80          2HB       ASP  80  13.290  -2.432   5.936
  505    H    ARG  81           H        ARG  81  12.599  -0.871   3.079
  506    HA   ARG  81           HA       ARG  81  10.760  -2.478   1.615
  507   1HB   ARG  81          1HB       ARG  81  13.471  -1.557   0.669
  508   2HB   ARG  81          2HB       ARG  81  12.067  -1.951  -0.312
  509   1HG   ARG  81          1HG       ARG  81  11.195   0.064   1.394
  510   2HG   ARG  81          2HG       ARG  81  12.819   0.550   0.904
  511   1HD   ARG  81          1HD       ARG  81  10.374   0.135  -0.754
  512   2HD   ARG  81          2HD       ARG  81  11.532   1.463  -0.775
  513    HE   ARG  81           HE       ARG  81  11.669  -0.978  -2.274
  514   1HH1  ARG  81          1HH1      ARG  81  13.536   1.615  -0.882
  515   2HH1  ARG  81          2HH1      ARG  81  14.862   1.421  -1.979
  516   1HH2  ARG  81          1HH2      ARG  81  13.409  -1.234  -3.726
  517   2HH2  ARG  81          2HH2      ARG  81  14.790  -0.196  -3.595
  518    H    SER  82           H        SER  82  13.265  -3.338   3.606
  519    HA   SER  82           HA       SER  82  14.391  -5.492   2.106
  520   1HB   SER  82          1HB       SER  82  14.687  -5.898   4.931
  521   2HB   SER  82          2HB       SER  82  15.907  -5.426   3.750
  522    HG   SER  82           HG       SER  82  15.125  -3.246   4.020
  523    H    THR  83           H        THR  83  11.344  -5.169   3.197
  524    HA   THR  83           HA       THR  83  11.069  -8.070   3.617
  525    HB   THR  83           HB       THR  83  10.774  -6.928   5.771
  526    HG1  THR  83           HG1      THR  83   9.489  -8.636   5.846
  527   1HG2  THR  83          1HG2      THR  83   9.974  -4.769   4.932
  528   2HG2  THR  83          2HG2      THR  83   8.466  -5.526   4.423
  529   3HG2  THR  83          3HG2      THR  83   8.873  -5.438   6.135
  530    H    LYS  84           H        LYS  84  10.729  -6.325   1.222
  531    HA   LYS  84           HA       LYS  84   8.013  -5.942   0.618
  532   1HB   LYS  84          1HB       LYS  84  10.545  -6.099  -0.911
  533   2HB   LYS  84          2HB       LYS  84   9.072  -6.391  -1.828
  534   1HG   LYS  84          1HG       LYS  84   8.462  -4.240  -1.765
  535   2HG   LYS  84          2HG       LYS  84   8.943  -4.049  -0.079
  536   1HD   LYS  84          1HD       LYS  84  10.337  -2.625  -1.392
  537   2HD   LYS  84          2HD       LYS  84  11.323  -3.986  -0.857
  538   1HE   LYS  84          1HE       LYS  84  10.130  -4.704  -3.322
  539   2HE   LYS  84          2HE       LYS  84  10.805  -3.086  -3.510
  540   1HZ   LYS  84          1HZ       LYS  84  12.853  -4.155  -2.364
  541   2HZ   LYS  84          2HZ       LYS  84  12.179  -5.611  -2.901
  542   3HZ   LYS  84          3HZ       LYS  84  12.592  -4.407  -4.015
  543    HA   PRO  85           HA       PRO  85   6.063  -9.794  -0.313
  544   1HB   PRO  85          1HB       PRO  85   6.070  -9.007  -3.199
  545   2HB   PRO  85          2HB       PRO  85   4.750  -9.646  -2.212
  546   1HG   PRO  85          1HG       PRO  85   4.871  -7.052  -2.790
  547   2HG   PRO  85          2HG       PRO  85   4.348  -7.603  -1.189
  548   1HD   PRO  85          1HD       PRO  85   6.915  -6.356  -2.017
  549   2HD   PRO  85          2HD       PRO  85   6.066  -6.269  -0.464
  550    H    ALA  86           H        ALA  86   7.660 -11.276   0.067
  551    HA   ALA  86           HA       ALA  86   9.022 -12.315  -2.308
  552   1HB   ALA  86          1HB       ALA  86  10.465 -11.872   0.303
  553   2HB   ALA  86          2HB       ALA  86  11.147 -12.476  -1.208
  554   3HB   ALA  86          3HB       ALA  86  10.590 -10.806  -1.098

  No H/Q in entry =         554
  Start of MODEL    5
    1    H1   GLY  16           H1       GLY  16 -11.534  -8.133   9.015
    2    H2   GLY  16           H2       GLY  16 -11.105  -8.673  10.560
    3    H3   GLY  16           H3       GLY  16  -9.929  -8.019   9.536
    4   1HA   GLY  16          1HA       GLY  16 -11.298 -10.629   9.344
    5   2HA   GLY  16          2HA       GLY  16  -9.572 -10.307   9.412
    6    H    ARG  17           H        ARG  17 -11.189  -8.106   7.437
    7    HA   ARG  17           HA       ARG  17 -10.223  -9.508   5.049
    8   1HB   ARG  17          1HB       ARG  17 -12.534  -8.037   4.308
    9   2HB   ARG  17          2HB       ARG  17 -12.286  -9.776   4.233
   10   1HG   ARG  17          1HG       ARG  17 -13.336 -10.146   6.256
   11   2HG   ARG  17          2HG       ARG  17 -13.068  -8.492   6.810
   12   1HD   ARG  17          1HD       ARG  17 -15.339  -8.521   6.323
   13   2HD   ARG  17          2HD       ARG  17 -14.630  -7.832   4.864
   14    HE   ARG  17           HE       ARG  17 -15.638 -10.583   5.143
   15   1HH1  ARG  17          1HH1      ARG  17 -14.630  -7.895   3.171
   16   2HH1  ARG  17          2HH1      ARG  17 -15.166  -8.614   1.689
   17   1HH2  ARG  17          1HH2      ARG  17 -16.345 -11.539   3.199
   18   2HH2  ARG  17          2HH2      ARG  17 -16.141 -10.686   1.706
   19    H    VAL  18           H        VAL  18  -8.927  -7.521   6.450
   20    HA   VAL  18           HA       VAL  18  -9.385  -4.956   5.248
   21    HB   VAL  18           HB       VAL  18  -7.006  -4.543   6.259
   22   1HG1  VAL  18          1HG1      VAL  18  -9.207  -3.687   7.083
   23   2HG1  VAL  18          2HG1      VAL  18  -9.303  -5.109   8.121
   24   3HG1  VAL  18          3HG1      VAL  18  -7.999  -3.942   8.343
   25   1HG2  VAL  18          1HG2      VAL  18  -6.641  -7.024   6.579
   26   2HG2  VAL  18          2HG2      VAL  18  -6.321  -6.009   7.986
   27   3HG2  VAL  18          3HG2      VAL  18  -7.818  -6.936   7.890
   28    H    ARG  19           H        ARG  19  -9.173  -5.046   3.052
   29    HA   ARG  19           HA       ARG  19  -6.477  -5.643   2.040
   30   1HB   ARG  19          1HB       ARG  19  -8.320  -6.150  -0.048
   31   2HB   ARG  19          2HB       ARG  19  -7.260  -7.295   0.762
   32   1HG   ARG  19          1HG       ARG  19  -9.376  -7.008   2.518
   33   2HG   ARG  19          2HG       ARG  19 -10.137  -6.986   0.929
   34   1HD   ARG  19          1HD       ARG  19  -8.656  -9.045   0.445
   35   2HD   ARG  19          2HD       ARG  19  -8.473  -9.132   2.196
   36    HE   ARG  19           HE       ARG  19 -11.174  -8.944   1.767
   37   1HH1  ARG  19          1HH1      ARG  19  -8.635 -11.116   0.774
   38   2HH1  ARG  19          2HH1      ARG  19  -9.679 -12.494   0.671
   39   1HH2  ARG  19          1HH2      ARG  19 -12.554 -10.754   1.633
   40   2HH2  ARG  19          2HH2      ARG  19 -11.907 -12.288   1.159
   41    H    TRP  20           H        TRP  20  -7.036  -3.128   2.711
   42    HA   TRP  20           HA       TRP  20  -7.218  -1.776   0.135
   43   1HB   TRP  20          1HB       TRP  20  -8.861  -1.070   2.577
   44   2HB   TRP  20          2HB       TRP  20  -8.679  -0.013   1.178
   45    HD1  TRP  20           HD1      TRP  20 -10.266  -3.340   2.224
   46    HE1  TRP  20           HE1      TRP  20 -12.027  -3.996   0.453
   47    HE3  TRP  20           HE3      TRP  20  -9.375   0.339  -1.209
   48    HZ2  TRP  20           HZ2      TRP  20 -12.907  -3.059  -2.073
   49    HZ3  TRP  20           HZ3      TRP  20 -10.718   0.395  -3.267
   50    HH2  TRP  20           HH2      TRP  20 -12.451  -1.271  -3.687
   51    H    ALA  21           H        ALA  21  -6.245   0.383   0.179
   52    HA   ALA  21           HA       ALA  21  -4.467   0.782   2.478
   53   1HB   ALA  21          1HB       ALA  21  -2.606   0.833   1.207
   54   2HB   ALA  21          2HB       ALA  21  -3.425   1.611  -0.147
   55   3HB   ALA  21          3HB       ALA  21  -3.571  -0.131   0.091
   56    H    ARG  22           H        ARG  22  -5.331   2.564   3.395
   57    HA   ARG  22           HA       ARG  22  -6.006   4.808   1.626
   58   1HB   ARG  22          1HB       ARG  22  -7.915   4.449   2.892
   59   2HB   ARG  22          2HB       ARG  22  -7.009   3.976   4.323
   60   1HG   ARG  22          1HG       ARG  22  -6.236   6.512   4.208
   61   2HG   ARG  22          2HG       ARG  22  -7.767   6.671   3.346
   62   1HD   ARG  22          1HD       ARG  22  -8.721   5.300   5.342
   63   2HD   ARG  22          2HD       ARG  22  -7.260   5.832   6.170
   64    HE   ARG  22           HE       ARG  22  -8.013   8.078   5.976
   65   1HH1  ARG  22          1HH1      ARG  22 -10.332   5.711   4.896
   66   2HH1  ARG  22          2HH1      ARG  22 -11.681   6.791   5.011
   67   1HH2  ARG  22          1HH2      ARG  22  -9.786   9.505   6.133
   68   2HH2  ARG  22          2HH2      ARG  22 -11.370   8.946   5.713
   69    H    ALA  23           H        ALA  23  -4.376   6.081   1.363
   70    HA   ALA  23           HA       ALA  23  -2.195   6.265   3.174
   71   1HB   ALA  23          3HB       ALA  23  -2.759   7.052   0.496
   72   2HB   ALA  23          2HB       ALA  23  -1.200   6.912   1.308
   73   3HB   ALA  23          1HB       ALA  23  -2.094   8.431   1.373
   74    H    LEU  24           H        LEU  24  -2.037   7.433   4.932
   75    HA   LEU  24           HA       LEU  24  -3.800   9.748   5.317
   76   1HB   LEU  24          1HB       LEU  24  -1.956   8.626   7.408
   77   2HB   LEU  24          2HB       LEU  24  -3.440   9.531   7.629
   78    HG   LEU  24           HG       LEU  24  -3.468   6.773   6.440
   79   1HD1  LEU  24          1HD1      LEU  24  -2.417   7.221   8.904
   80   2HD1  LEU  24          2HD1      LEU  24  -4.125   7.006   9.285
   81   3HD1  LEU  24          3HD1      LEU  24  -3.249   5.744   8.418
   82   1HD2  LEU  24          1HD2      LEU  24  -5.419   8.602   6.590
   83   2HD2  LEU  24          2HD2      LEU  24  -5.714   6.867   6.694
   84   3HD2  LEU  24          3HD2      LEU  24  -5.617   7.836   8.165
   85    H    TYR  25           H        TYR  25  -0.727   8.808   4.454
   86    HA   TYR  25           HA       TYR  25   0.288  11.547   4.550
   87   1HB   TYR  25          1HB       TYR  25   2.154   9.271   5.156
   88   2HB   TYR  25          2HB       TYR  25   2.352  10.983   5.500
   89    HD1  TYR  25           HD1      TYR  25   1.703  11.884   7.584
   90    HD2  TYR  25           HD2      TYR  25   0.551   7.919   6.553
   91    HE1  TYR  25           HE1      TYR  25   0.968  11.500   9.898
   92    HE2  TYR  25           HE2      TYR  25  -0.192   7.529   8.865
   93    HH   TYR  25           HH       TYR  25  -0.899   8.789  10.809
   94    H    ASP  26           H        ASP  26   2.520  11.460   3.218
   95    HA   ASP  26           HA       ASP  26   1.876  10.903   0.578
   96   1HB   ASP  26          1HB       ASP  26   4.115  11.939   1.990
   97   2HB   ASP  26          2HB       ASP  26   4.713  10.709   0.880
   98    H    PHE  27           H        PHE  27   3.796   9.490  -0.674
   99    HA   PHE  27           HA       PHE  27   3.225   6.750   0.205
  100   1HB   PHE  27          1HB       PHE  27   3.498   6.068  -2.046
  101   2HB   PHE  27          2HB       PHE  27   2.573   7.565  -2.103
  102    HD1  PHE  27           HD1      PHE  27   5.645   5.901  -3.012
  103    HD2  PHE  27           HD2      PHE  27   3.662   9.662  -2.821
  104    HE1  PHE  27           HE1      PHE  27   7.305   6.856  -4.567
  105    HE2  PHE  27           HE2      PHE  27   5.315  10.622  -4.370
  106    HZ   PHE  27           HZ       PHE  27   7.139   9.218  -5.246
  107    H    GLU  28           H        GLU  28   4.799   5.163   0.346
  108    HA   GLU  28           HA       GLU  28   7.531   6.173   0.720
  109   1HB   GLU  28          1HB       GLU  28   6.398   3.527   1.624
  110   2HB   GLU  28          2HB       GLU  28   7.923   4.254   2.111
  111   1HG   GLU  28          1HG       GLU  28   5.819   6.077   2.690
  112   2HG   GLU  28          2HG       GLU  28   5.396   4.491   3.332
  113    H    ALA  29           H        ALA  29   6.009   5.047  -1.820
  114    HA   ALA  29           HA       ALA  29   7.490   2.723  -2.523
  115   1HB   ALA  29          3HB       ALA  29   6.702   3.878  -4.915
  116   2HB   ALA  29          1HB       ALA  29   5.805   2.683  -3.979
  117   3HB   ALA  29          2HB       ALA  29   5.476   4.401  -3.758
  118    H    LEU  30           H        LEU  30   9.647   2.871  -2.506
  119    HA   LEU  30           HA       LEU  30  10.943   5.149  -3.816
  120   1HB   LEU  30          1HB       LEU  30  12.454   2.993  -2.403
  121   2HB   LEU  30          2HB       LEU  30  12.850   4.692  -2.581
  122    HG   LEU  30           HG       LEU  30  10.585   3.720  -0.847
  123   1HD1  LEU  30          1HD1      LEU  30  13.499   3.924  -0.295
  124   2HD1  LEU  30          2HD1      LEU  30  12.365   4.397   0.970
  125   3HD1  LEU  30          3HD1      LEU  30  12.312   2.765   0.302
  126   1HD2  LEU  30          1HD2      LEU  30  11.245   6.241  -1.774
  127   2HD2  LEU  30          2HD2      LEU  30  10.206   5.868  -0.399
  128   3HD2  LEU  30          3HD2      LEU  30  11.921   6.194  -0.145
  129    H    GLU  31           H        GLU  31  10.031   1.958  -4.369
  130    HA   GLU  31           HA       GLU  31  12.110   1.560  -6.409
  131   1HB   GLU  31          1HB       GLU  31  11.108  -0.192  -4.555
  132   2HB   GLU  31          2HB       GLU  31  10.179  -0.610  -5.988
  133   1HG   GLU  31          1HG       GLU  31  12.348  -0.801  -7.225
  134   2HG   GLU  31          2HG       GLU  31  13.166  -0.619  -5.675
  135    H    GLU  32           H        GLU  32  11.255   0.347  -8.415
  136    HA   GLU  32           HA       GLU  32   9.101   1.974  -9.507
  137   1HB   GLU  32          1HB       GLU  32   9.821   0.549 -11.629
  138   2HB   GLU  32          2HB       GLU  32  10.734   1.956 -11.107
  139   1HG   GLU  32          1HG       GLU  32  12.193   0.337  -9.812
  140   2HG   GLU  32          2HG       GLU  32  11.383  -0.942 -10.714
  141    H    ASP  33           H        ASP  33   9.677  -1.229  -8.391
  142    HA   ASP  33           HA       ASP  33   7.425  -2.410  -9.761
  143   1HB   ASP  33          1HB       ASP  33   9.682  -3.346  -8.238
  144   2HB   ASP  33          2HB       ASP  33   8.199  -4.052  -7.599
  145    H    GLU  34           H        GLU  34   7.483  -0.183  -7.477
  146    HA   GLU  34           HA       GLU  34   5.329  -1.377  -5.872
  147   1HB   GLU  34          1HB       GLU  34   7.199   0.915  -5.263
  148   2HB   GLU  34          2HB       GLU  34   5.841   0.459  -4.243
  149   1HG   GLU  34          1HG       GLU  34   6.840  -1.492  -3.548
  150   2HG   GLU  34          2HG       GLU  34   7.884  -1.587  -4.964
  151    H    LEU  35           H        LEU  35   4.151   0.840  -4.850
  152    HA   LEU  35           HA       LEU  35   3.259   2.444  -7.136
  153   1HB   LEU  35          1HB       LEU  35   1.568   0.830  -7.082
  154   2HB   LEU  35          2HB       LEU  35   1.584   0.734  -5.333
  155    HG   LEU  35           HG       LEU  35   0.710   3.196  -5.458
  156   1HD1  LEU  35          1HD1      LEU  35   1.075   3.114  -8.015
  157   2HD1  LEU  35          2HD1      LEU  35  -0.448   2.225  -8.039
  158   3HD1  LEU  35          3HD1      LEU  35  -0.390   3.861  -7.382
  159   1HD2  LEU  35          1HD2      LEU  35  -0.439   0.847  -4.902
  160   2HD2  LEU  35          2HD2      LEU  35  -1.333   2.366  -4.941
  161   3HD2  LEU  35          3HD2      LEU  35  -1.371   1.285  -6.333
  162    H    GLY  36           H        GLY  36   2.751   4.546  -6.647
  163   1HA   GLY  36          1HA       GLY  36   3.648   6.290  -5.171
  164   2HA   GLY  36          2HA       GLY  36   3.109   5.309  -3.820
  165    H    PHE  37           H        PHE  37   1.577   6.390  -2.816
  166    HA   PHE  37           HA       PHE  37  -0.611   7.556  -4.409
  167   1HB   PHE  37          1HB       PHE  37  -1.709   7.259  -1.948
  168   2HB   PHE  37          2HB       PHE  37  -1.860   6.067  -3.232
  169    HD1  PHE  37           HD1      PHE  37   0.551   6.991  -0.537
  170    HD2  PHE  37           HD2      PHE  37  -1.444   3.892  -2.662
  171    HE1  PHE  37           HE1      PHE  37   1.601   5.317   0.928
  172    HE2  PHE  37           HE2      PHE  37  -0.398   2.213  -1.202
  173    HZ   PHE  37           HZ       PHE  37   1.126   2.924   0.597
  174    H    ARG  38           H        ARG  38  -1.905   9.067  -2.685
  175    HA   ARG  38           HA       ARG  38   0.089  10.836  -1.437
  176   1HB   ARG  38          1HB       ARG  38  -2.314  11.841  -2.963
  177   2HB   ARG  38          2HB       ARG  38  -1.016  12.796  -2.260
  178   1HG   ARG  38          1HG       ARG  38   0.471  11.347  -3.881
  179   2HG   ARG  38          2HG       ARG  38  -1.053  11.196  -4.760
  180   1HD   ARG  38          1HD       ARG  38  -0.290  13.905  -3.843
  181   2HD   ARG  38          2HD       ARG  38   0.664  13.211  -5.153
  182    HE   ARG  38           HE       ARG  38  -2.259  13.599  -5.255
  183   1HH1  ARG  38          1HH1      ARG  38   0.869  13.452  -6.781
  184   2HH1  ARG  38          2HH1      ARG  38   0.267  13.870  -8.351
  185   1HH2  ARG  38          1HH2      ARG  38  -3.063  14.146  -7.314
  186   2HH2  ARG  38          2HH2      ARG  38  -1.972  14.265  -8.654
  187    H    SER  39           H        SER  39  -0.935  12.391   0.111
  188    HA   SER  39           HA       SER  39  -2.222  11.114   2.161
  189   1HB   SER  39          1HB       SER  39  -1.562  13.074   3.042
  190   2HB   SER  39          2HB       SER  39  -1.602  13.875   1.472
  191    HG   SER  39           HG       SER  39  -3.818  13.407   3.184
  192    H    GLY  40           H        GLY  40  -4.295  10.867   2.879
  193   1HA   GLY  40          1HA       GLY  40  -6.602  12.069   1.913
  194   2HA   GLY  40          2HA       GLY  40  -6.550  10.516   2.726
  195    H    GLU  41           H        GLU  41  -5.600   8.715   1.157
  196    HA   GLU  41           HA       GLU  41  -7.287   8.860  -1.235
  197   1HB   GLU  41          1HB       GLU  41  -4.359   8.248  -1.130
  198   2HB   GLU  41          2HB       GLU  41  -5.363   7.503  -2.367
  199   1HG   GLU  41          1HG       GLU  41  -6.047  10.195  -2.431
  200   2HG   GLU  41          2HG       GLU  41  -4.297  10.175  -2.220
  201    H    VAL  42           H        VAL  42  -7.734   6.731  -2.195
  202    HA   VAL  42           HA       VAL  42  -7.649   4.583  -0.176
  203    HB   VAL  42           HB       VAL  42  -9.866   4.932  -2.187
  204   1HG1  VAL  42          1HG1      VAL  42  -9.139   2.902  -0.290
  205   2HG1  VAL  42          2HG1      VAL  42 -10.721   3.572   0.108
  206   3HG1  VAL  42          3HG1      VAL  42 -10.427   2.897  -1.495
  207   1HG2  VAL  42          1HG2      VAL  42  -9.489   6.178   0.479
  208   2HG2  VAL  42          2HG2      VAL  42 -10.321   6.789  -0.951
  209   3HG2  VAL  42          3HG2      VAL  42 -11.098   5.582   0.072
  210    H    VAL  43           H        VAL  43  -6.981   2.617  -0.832
  211    HA   VAL  43           HA       VAL  43  -6.596   2.167  -3.717
  212    HB   VAL  43           HB       VAL  43  -4.619   1.453  -1.546
  213   1HG1  VAL  43          1HG1      VAL  43  -4.985   0.487  -4.247
  214   2HG1  VAL  43          2HG1      VAL  43  -3.396   1.222  -4.028
  215   3HG1  VAL  43          3HG1      VAL  43  -3.910  -0.098  -2.976
  216   1HG2  VAL  43          1HG2      VAL  43  -4.955   3.833  -3.152
  217   2HG2  VAL  43          2HG2      VAL  43  -3.868   3.532  -1.796
  218   3HG2  VAL  43          3HG2      VAL  43  -3.385   3.080  -3.431
  219    H    GLU  44           H        GLU  44  -6.976   0.101  -4.450
  220    HA   GLU  44           HA       GLU  44  -8.264  -1.710  -2.545
  221   1HB   GLU  44          1HB       GLU  44  -9.445  -1.181  -4.649
  222   2HB   GLU  44          2HB       GLU  44  -8.104  -1.850  -5.564
  223   1HG   GLU  44          1HG       GLU  44  -8.608  -3.982  -4.110
  224   2HG   GLU  44          2HG       GLU  44 -10.199  -3.234  -3.982
  225    H    VAL  45           H        VAL  45  -6.959  -3.119  -1.560
  226    HA   VAL  45           HA       VAL  45  -4.422  -3.863  -2.689
  227    HB   VAL  45           HB       VAL  45  -5.787  -4.881  -0.195
  228   1HG1  VAL  45          1HG1      VAL  45  -3.182  -5.477  -1.468
  229   2HG1  VAL  45          2HG1      VAL  45  -3.189  -5.266   0.283
  230   3HG1  VAL  45          3HG1      VAL  45  -4.214  -6.494  -0.462
  231   1HG2  VAL  45          1HG2      VAL  45  -5.340  -2.465  -0.159
  232   2HG2  VAL  45          2HG2      VAL  45  -4.344  -3.340   1.004
  233   3HG2  VAL  45          3HG2      VAL  45  -3.643  -2.784  -0.515
  234    H    LEU  46           H        LEU  46  -3.942  -5.603  -3.841
  235    HA   LEU  46           HA       LEU  46  -6.042  -7.600  -4.278
  236   1HB   LEU  46          1HB       LEU  46  -4.031  -6.343  -5.950
  237   2HB   LEU  46          2HB       LEU  46  -3.962  -8.092  -6.068
  238    HG   LEU  46           HG       LEU  46  -6.473  -6.475  -6.497
  239   1HD1  LEU  46          1HD1      LEU  46  -4.242  -6.635  -8.174
  240   2HD1  LEU  46          2HD1      LEU  46  -5.427  -7.752  -8.851
  241   3HD1  LEU  46          3HD1      LEU  46  -5.857  -6.061  -8.587
  242   1HD2  LEU  46          1HD2      LEU  46  -5.790  -9.364  -7.027
  243   2HD2  LEU  46          2HD2      LEU  46  -6.921  -8.751  -5.822
  244   3HD2  LEU  46          3HD2      LEU  46  -7.276  -8.566  -7.540
  245    H    ASP  47           H        ASP  47  -3.138  -7.158  -2.623
  246    HA   ASP  47           HA       ASP  47  -3.044  -9.976  -1.952
  247   1HB   ASP  47          1HB       ASP  47  -1.237  -8.870  -3.855
  248   2HB   ASP  47          2HB       ASP  47  -0.328  -9.230  -2.390
  249    H    SER  48           H        SER  48  -3.806  -8.961   0.027
  250    HA   SER  48           HA       SER  48  -2.013  -7.262   1.535
  251   1HB   SER  48          1HB       SER  48  -3.776  -7.956   3.388
  252   2HB   SER  48          2HB       SER  48  -4.194  -6.791   2.132
  253    HG   SER  48           HG       SER  48  -5.774  -8.135   1.770
  254    H    SER  49           H        SER  49  -1.928 -10.486   0.815
  255    HA   SER  49           HA       SER  49  -1.195 -11.438   3.419
  256   1HB   SER  49          1HB       SER  49  -1.954 -12.756   1.221
  257   2HB   SER  49          2HB       SER  49  -0.212 -12.804   0.947
  258    HG   SER  49           HG       SER  49   0.053 -13.910   2.841
  259    H    ASN  50           H        ASN  50   0.507 -10.735   4.384
  260    HA   ASN  50           HA       ASN  50   3.134 -11.049   3.812
  261   1HB   ASN  50          1HB       ASN  50   1.988  -8.807   2.329
  262   2HB   ASN  50          2HB       ASN  50   3.386  -8.344   3.294
  263   1HD2  ASN  50          1HD2      ASN  50   2.648  -8.921   0.333
  264   2HD2  ASN  50          2HD2      ASN  50   4.012  -9.810  -0.231
  265    HA   PRO  51           HA       PRO  51   3.101  -9.075   7.772
  266   1HB   PRO  51          1HB       PRO  51   5.697  -8.841   8.332
  267   2HB   PRO  51          2HB       PRO  51   4.961 -10.425   8.058
  268   1HG   PRO  51          1HG       PRO  51   6.704  -8.811   6.268
  269   2HG   PRO  51          2HG       PRO  51   6.578 -10.570   6.429
  270   1HD   PRO  51          1HD       PRO  51   5.344  -8.940   4.462
  271   2HD   PRO  51          2HD       PRO  51   5.054 -10.666   4.753
  272    H    SER  52           H        SER  52   4.211  -7.153   5.160
  273    HA   SER  52           HA       SER  52   3.627  -4.766   6.616
  274   1HB   SER  52          1HB       SER  52   6.286  -5.681   6.788
  275   2HB   SER  52          2HB       SER  52   6.304  -4.295   5.699
  276    HG   SER  52           HG       SER  52   5.957  -3.045   7.342
  277    H    TRP  53           H        TRP  53   4.957  -6.233   3.696
  278    HA   TRP  53           HA       TRP  53   4.087  -3.844   2.203
  279   1HB   TRP  53          1HB       TRP  53   6.290  -5.811   1.781
  280   2HB   TRP  53          2HB       TRP  53   5.549  -5.074   0.366
  281    HD1  TRP  53           HD1      TRP  53   7.743  -4.241   3.374
  282    HE1  TRP  53           HE1      TRP  53   8.823  -1.937   2.994
  283    HE3  TRP  53           HE3      TRP  53   5.186  -2.825  -0.820
  284    HZ2  TRP  53           HZ2      TRP  53   8.618   0.199   1.160
  285    HZ3  TRP  53           HZ3      TRP  53   5.687  -0.636  -1.824
  286    HH2  TRP  53           HH2      TRP  53   7.368   0.844  -0.853
  287    H    TRP  54           H        TRP  54   2.141  -4.095   1.290
  288    HA   TRP  54           HA       TRP  54   1.442  -6.766   0.253
  289   1HB   TRP  54          1HB       TRP  54  -0.525  -4.557   0.868
  290   2HB   TRP  54          2HB       TRP  54  -0.868  -6.242   0.498
  291    HD1  TRP  54           HD1      TRP  54   1.482  -7.231   2.657
  292    HE1  TRP  54           HE1      TRP  54   0.759  -7.333   5.116
  293    HE3  TRP  54           HE3      TRP  54  -2.532  -4.088   2.439
  294    HZ2  TRP  54           HZ2      TRP  54  -1.237  -6.201   6.766
  295    HZ3  TRP  54           HZ3      TRP  54  -3.794  -3.642   4.502
  296    HH2  TRP  54           HH2      TRP  54  -3.160  -4.677   6.620
  297    H    THR  55           H        THR  55   0.740  -6.993  -1.836
  298    HA   THR  55           HA       THR  55   1.407  -4.811  -3.627
  299    HB   THR  55           HB       THR  55   0.293  -7.441  -4.546
  300    HG1  THR  55           HG1      THR  55   2.194  -7.472  -2.898
  301   1HG2  THR  55          1HG2      THR  55   1.478  -5.157  -5.763
  302   2HG2  THR  55          2HG2      THR  55   2.557  -6.533  -5.999
  303   3HG2  THR  55          3HG2      THR  55   0.879  -6.625  -6.533
  304    H    GLY  56           H        GLY  56  -0.051  -3.347  -4.183
  305   1HA   GLY  56          1HA       GLY  56  -2.566  -2.917  -3.613
  306   2HA   GLY  56          2HA       GLY  56  -2.791  -4.213  -4.780
  307    H    ARG  57           H        ARG  57  -4.046  -2.050  -5.531
  308    HA   ARG  57           HA       ARG  57  -2.230  -0.468  -7.197
  309   1HB   ARG  57          1HB       ARG  57  -3.881  -0.732  -9.113
  310   2HB   ARG  57          2HB       ARG  57  -2.865  -2.124  -8.742
  311   1HG   ARG  57          1HG       ARG  57  -4.654  -3.278  -7.723
  312   2HG   ARG  57          2HG       ARG  57  -5.656  -1.826  -7.669
  313   1HD   ARG  57          1HD       ARG  57  -5.996  -1.849 -10.000
  314   2HD   ARG  57          2HD       ARG  57  -4.699  -3.016 -10.257
  315    HE   ARG  57           HE       ARG  57  -6.724  -4.122  -8.613
  316   1HH1  ARG  57          1HH1      ARG  57  -6.031  -3.273 -11.921
  317   2HH1  ARG  57          2HH1      ARG  57  -7.103  -4.458 -12.586
  318   1HH2  ARG  57          1HH2      ARG  57  -8.142  -5.686  -9.480
  319   2HH2  ARG  57          2HH2      ARG  57  -8.304  -5.830 -11.199
  320    H    LEU  58           H        LEU  58  -2.727   1.609  -7.364
  321    HA   LEU  58           HA       LEU  58  -5.173   2.560  -6.060
  322   1HB   LEU  58          1HB       LEU  58  -3.213   3.539  -5.139
  323   2HB   LEU  58          2HB       LEU  58  -2.534   3.849  -6.724
  324    HG   LEU  58           HG       LEU  58  -5.081   5.232  -6.158
  325   1HD1  LEU  58          1HD1      LEU  58  -2.547   5.921  -4.692
  326   2HD1  LEU  58          2HD1      LEU  58  -3.950   6.980  -4.833
  327   3HD1  LEU  58          3HD1      LEU  58  -4.088   5.441  -3.981
  328   1HD2  LEU  58          1HD2      LEU  58  -2.584   5.634  -7.667
  329   2HD2  LEU  58          2HD2      LEU  58  -4.244   6.058  -8.082
  330   3HD2  LEU  58          3HD2      LEU  58  -3.317   7.090  -6.994
  331    H    HIS  59           H        HIS  59  -6.829   2.990  -7.350
  332    HA   HIS  59           HA       HIS  59  -8.085   3.753  -9.081
  333   1HB   HIS  59          1HB       HIS  59  -5.552   5.240  -9.799
  334   2HB   HIS  59          2HB       HIS  59  -7.107   5.488 -10.585
  335    HD1  HIS  59           HD1      HIS  59  -7.607   4.946  -7.044
  336    HD2  HIS  59           HD2      HIS  59  -6.625   8.180  -9.463
  337    HE1  HIS  59           HE1      HIS  59  -8.075   6.992  -5.657
  338    HE2  HIS  59           HE2      HIS  59  -7.523   8.937  -7.159
  339    H    ASN  60           H        ASN  60  -5.031   3.743 -10.885
  340    HA   ASN  60           HA       ASN  60  -5.844   1.279 -12.238
  341   1HB   ASN  60          1HB       ASN  60  -5.540   3.969 -13.511
  342   2HB   ASN  60          2HB       ASN  60  -5.080   2.538 -14.427
  343   1HD2  ASN  60          1HD2      ASN  60  -7.225   4.450 -14.872
  344   2HD2  ASN  60          2HD2      ASN  60  -8.685   3.534 -14.893
  345    H    LYS  61           H        LYS  61  -3.584   2.603 -10.492
  346    HA   LYS  61           HA       LYS  61  -1.334   1.583 -12.096
  347   1HB   LYS  61          1HB       LYS  61  -1.326   3.555  -9.800
  348   2HB   LYS  61          2HB       LYS  61   0.112   2.954 -10.618
  349   1HG   LYS  61          1HG       LYS  61  -0.709   3.946 -12.722
  350   2HG   LYS  61          2HG       LYS  61  -2.083   4.613 -11.839
  351   1HD   LYS  61          1HD       LYS  61  -0.516   6.366 -11.964
  352   2HD   LYS  61          2HD       LYS  61  -0.371   5.729 -10.324
  353   1HE   LYS  61          1HE       LYS  61   1.642   4.630 -10.808
  354   2HE   LYS  61          2HE       LYS  61   1.394   4.758 -12.549
  355   1HZ   LYS  61          1HZ       LYS  61   1.816   7.109 -10.793
  356   2HZ   LYS  61          2HZ       LYS  61   3.075   6.315 -11.598
  357   3HZ   LYS  61          3HZ       LYS  61   1.845   7.066 -12.484
  358    H    LEU  62           H        LEU  62  -0.369  -0.238 -11.411
  359    HA   LEU  62           HA       LEU  62  -1.118  -1.255  -8.760
  360   1HB   LEU  62          1HB       LEU  62   0.301  -3.171 -10.363
  361   2HB   LEU  62          2HB       LEU  62  -1.320  -3.258  -9.703
  362    HG   LEU  62           HG       LEU  62  -1.488  -1.532 -11.919
  363   1HD1  LEU  62          1HD1      LEU  62   0.296  -3.895 -12.393
  364   2HD1  LEU  62          2HD1      LEU  62  -0.710  -3.223 -13.678
  365   3HD1  LEU  62          3HD1      LEU  62   0.514  -2.219 -12.899
  366   1HD2  LEU  62          1HD2      LEU  62  -2.955  -3.490 -10.850
  367   2HD2  LEU  62          2HD2      LEU  62  -3.191  -2.911 -12.498
  368   3HD2  LEU  62          3HD2      LEU  62  -2.254  -4.376 -12.204
  369    H    GLY  63           H        GLY  63   0.433  -2.238  -7.402
  370   1HA   GLY  63          1HA       GLY  63   2.975  -0.873  -7.428
  371   2HA   GLY  63          2HA       GLY  63   3.086  -2.606  -7.697
  372    H    LEU  64           H        LEU  64   4.385  -2.486  -5.705
  373    HA   LEU  64           HA       LEU  64   2.838  -3.316  -3.458
  374   1HB   LEU  64          1HB       LEU  64   5.677  -2.630  -3.036
  375   2HB   LEU  64          2HB       LEU  64   4.797  -4.080  -2.602
  376    HG   LEU  64           HG       LEU  64   5.590  -3.498  -5.445
  377   1HD1  LEU  64          1HD1      LEU  64   7.281  -4.245  -3.209
  378   2HD1  LEU  64          2HD1      LEU  64   7.308  -5.443  -4.503
  379   3HD1  LEU  64          3HD1      LEU  64   7.718  -3.762  -4.848
  380   1HD2  LEU  64          1HD2      LEU  64   4.216  -5.635  -4.027
  381   2HD2  LEU  64          2HD2      LEU  64   4.288  -5.283  -5.753
  382   3HD2  LEU  64          3HD2      LEU  64   5.575  -6.215  -4.990
  383    H    PHE  65           H        PHE  65   2.606  -2.318  -1.430
  384    HA   PHE  65           HA       PHE  65   3.468   0.479  -1.226
  385   1HB   PHE  65          1HB       PHE  65   1.358   1.333  -0.785
  386   2HB   PHE  65          2HB       PHE  65   0.992   0.125  -2.017
  387    HD1  PHE  65           HD1      PHE  65   0.820   0.942   1.548
  388    HD2  PHE  65           HD2      PHE  65  -0.317  -1.819  -1.479
  389    HE1  PHE  65           HE1      PHE  65  -0.749  -0.099   3.106
  390    HE2  PHE  65           HE2      PHE  65  -1.903  -2.875   0.073
  391    HZ   PHE  65           HZ       PHE  65  -2.125  -2.018   2.376
  392    HA   PRO  66           HA       PRO  66   4.379  -0.566   2.987
  393   1HB   PRO  66          1HB       PRO  66   4.199   1.782   4.233
  394   2HB   PRO  66          2HB       PRO  66   5.415   1.528   2.974
  395   1HG   PRO  66          1HG       PRO  66   2.724   2.840   2.753
  396   2HG   PRO  66          2HG       PRO  66   4.289   3.429   2.177
  397   1HD   PRO  66          1HD       PRO  66   2.535   2.183   0.543
  398   2HD   PRO  66          2HD       PRO  66   4.289   2.037   0.345
  399    H    ALA  67           H        ALA  67   2.827  -1.890   3.890
  400    HA   ALA  67           HA       ALA  67   0.165  -1.067   4.434
  401   1HB   ALA  67          1HB       ALA  67   1.114  -3.459   4.161
  402   2HB   ALA  67          2HB       ALA  67   1.484  -3.331   5.882
  403   3HB   ALA  67          3HB       ALA  67  -0.183  -3.181   5.325
  404    H    ASN  68           H        ASN  68   3.061  -0.313   5.927
  405    HA   ASN  68           HA       ASN  68   1.919  -0.021   8.594
  406   1HB   ASN  68          1HB       ASN  68   4.026  -0.488   9.190
  407   2HB   ASN  68          2HB       ASN  68   4.572  -0.355   7.523
  408   1HD2  ASN  68          1HD2      ASN  68   5.075   1.811   6.737
  409   2HD2  ASN  68          2HD2      ASN  68   5.730   2.967   7.840
  410    H    TYR  69           H        TYR  69   2.863   1.886   5.827
  411    HA   TYR  69           HA       TYR  69   2.720   4.405   7.189
  412   1HB   TYR  69          1HB       TYR  69   3.856   3.621   4.858
  413   2HB   TYR  69          2HB       TYR  69   2.388   4.383   4.257
  414    HD1  TYR  69           HD1      TYR  69   2.811   6.507   3.490
  415    HD2  TYR  69           HD2      TYR  69   4.794   5.178   7.009
  416    HE1  TYR  69           HE1      TYR  69   3.867   8.716   3.721
  417    HE2  TYR  69           HE2      TYR  69   5.853   7.384   7.254
  418    HH   TYR  69           HH       TYR  69   5.664   9.605   6.565
  419    H    VAL  70           H        VAL  70   0.537   2.512   5.138
  420    HA   VAL  70           HA       VAL  70  -1.594   4.420   5.880
  421    HB   VAL  70           HB       VAL  70  -2.576   4.310   3.795
  422   1HG1  VAL  70          1HG1      VAL  70  -0.352   5.412   3.718
  423   2HG1  VAL  70          2HG1      VAL  70   0.330   3.906   3.105
  424   3HG1  VAL  70          3HG1      VAL  70  -0.880   4.775   2.161
  425   1HG2  VAL  70          1HG2      VAL  70  -1.444   1.607   3.726
  426   2HG2  VAL  70          2HG2      VAL  70  -2.964   2.220   3.075
  427   3HG2  VAL  70          3HG2      VAL  70  -1.468   2.432   2.167
  428    H    ALA  71           H        ALA  71  -3.694   3.565   6.236
  429    HA   ALA  71           HA       ALA  71  -3.670   0.721   7.019
  430   1HB   ALA  71          1HB       ALA  71  -5.364   2.962   8.118
  431   2HB   ALA  71          3HB       ALA  71  -5.373   1.286   8.668
  432   3HB   ALA  71          2HB       ALA  71  -3.932   2.279   8.888
  433    HA   PRO  72           HA       PRO  72  -6.728  -0.335   4.047
  434   1HB   PRO  72          1HB       PRO  72  -8.120  -1.796   6.228
  435   2HB   PRO  72          2HB       PRO  72  -7.584  -2.371   4.643
  436   1HG   PRO  72          1HG       PRO  72  -6.240  -3.036   6.812
  437   2HG   PRO  72          2HG       PRO  72  -5.376  -2.602   5.329
  438   1HD   PRO  72          1HD       PRO  72  -5.831  -0.965   7.801
  439   2HD   PRO  72          2HD       PRO  72  -4.373  -1.102   6.794
  440    H    MET  73           H        MET  73  -9.177  -0.618   3.855
  441    HA   MET  73           HA       MET  73 -10.736   1.231   5.449
  442   1HB   MET  73          1HB       MET  73  -9.455   2.384   3.451
  443   2HB   MET  73          2HB       MET  73 -10.749   1.677   2.495
  444   1HG   MET  73          1HG       MET  73 -11.266   3.403   4.897
  445   2HG   MET  73          2HG       MET  73 -11.079   4.059   3.272
  446   1HE   MET  73          1HE       MET  73 -12.150   3.117   1.352
  447   2HE   MET  73          2HE       MET  73 -13.373   1.846   1.369
  448   3HE   MET  73          3HE       MET  73 -13.862   3.541   1.354
  449    H    MET  74           H        MET  74 -12.210  -0.343   5.960
  450    HA   MET  74           HA       MET  74 -13.217  -2.156   3.968
  451   1HB   MET  74          1HB       MET  74 -14.073  -1.645   6.823
  452   2HB   MET  74          2HB       MET  74 -14.725  -2.921   5.804
  453   1HG   MET  74          1HG       MET  74 -12.030  -3.343   5.617
  454   2HG   MET  74          2HG       MET  74 -12.217  -2.794   7.280
  455   1HE   MET  74          1HE       MET  74 -11.313  -4.594   8.181
  456   2HE   MET  74          2HE       MET  74 -12.630  -5.235   9.166
  457   3HE   MET  74          3HE       MET  74 -11.767  -6.293   8.049
  458    H    ARG  75           H        ARG  75 -14.468  -1.327   2.419
  459    HA   ARG  75           HA       ARG  75 -16.070   0.955   2.611
  460   1HB   ARG  75          1HB       ARG  75 -16.613  -1.365   0.762
  461   2HB   ARG  75          2HB       ARG  75 -17.000   0.331   0.502
  462   1HG   ARG  75          1HG       ARG  75 -14.680   0.880   0.247
  463   2HG   ARG  75          2HG       ARG  75 -14.200  -0.758   0.697
  464   1HD   ARG  75          1HD       ARG  75 -15.709   0.094  -1.769
  465   2HD   ARG  75          2HD       ARG  75 -14.070  -0.551  -1.690
  466    HE   ARG  75           HE       ARG  75 -15.744  -2.453  -0.564
  467   1HH1  ARG  75          1HH1      ARG  75 -15.280  -0.927  -3.662
  468   2HH1  ARG  75          2HH1      ARG  75 -15.855  -2.289  -4.564
  469   1HH2  ARG  75          1HH2      ARG  75 -16.499  -4.252  -1.742
  470   2HH2  ARG  75          2HH2      ARG  75 -16.547  -4.180  -3.472
  471    H1   ALA  76           H1       ALA  76   4.205   8.270  12.936
  472    H2   ALA  76           H2       ALA  76   5.577   8.748  13.804
  473    H3   ALA  76           H3       ALA  76   4.674   9.895  12.951
  474    HA   ALA  76           HA       ALA  76   5.342   9.082  10.877
  475   1HB   ALA  76          2HB       ALA  76   7.273   9.829  12.867
  476   2HB   ALA  76          3HB       ALA  76   8.002   8.728  11.698
  477   3HB   ALA  76          1HB       ALA  76   7.234  10.218  11.147
  478    HA   PRO  77           HA       PRO  77   5.438   4.515  11.392
  479   1HB   PRO  77          1HB       PRO  77   4.139   4.537   8.770
  480   2HB   PRO  77          2HB       PRO  77   3.571   3.848  10.292
  481   1HG   PRO  77          1HG       PRO  77   2.437   6.035   9.177
  482   2HG   PRO  77          2HG       PRO  77   2.508   5.783  10.930
  483   1HD   PRO  77          1HD       PRO  77   4.218   7.519   9.191
  484   2HD   PRO  77          2HD       PRO  77   3.555   7.846  10.806
  485    H    SER  78           H        SER  78   7.088   3.305  10.720
  486    HA   SER  78           HA       SER  78   8.477   4.097   8.248
  487   1HB   SER  78          1HB       SER  78  10.487   3.915   9.285
  488   2HB   SER  78          2HB       SER  78   9.536   4.124  10.755
  489    HG   SER  78           HG       SER  78  11.026   2.060  10.083
  490    H    ILE  79           H        ILE  79   8.650   2.687   6.680
  491    HA   ILE  79           HA       ILE  79   7.835  -0.081   7.221
  492    HB   ILE  79           HB       ILE  79   6.946   1.775   5.290
  493   1HG1  ILE  79          1HG1      ILE  79   5.783  -0.121   6.554
  494   2HG1  ILE  79          2HG1      ILE  79   5.283   0.173   4.895
  495   1HG2  ILE  79          1HG2      ILE  79   8.463  -0.505   4.035
  496   2HG2  ILE  79          2HG2      ILE  79   7.264   0.478   3.194
  497   3HG2  ILE  79          3HG2      ILE  79   8.742   1.221   3.808
  498   1HD1  ILE  79          1HD1      ILE  79   7.263  -1.943   5.688
  499   2HD1  ILE  79          2HD1      ILE  79   5.531  -2.226   5.520
  500   3HD1  ILE  79          3HD1      ILE  79   6.481  -1.730   4.121
  501    H    ASP  80           H        ASP  80   9.137  -1.737   6.741
  502    HA   ASP  80           HA       ASP  80  11.856  -1.114   5.887
  503   1HB   ASP  80          1HB       ASP  80  10.945  -3.842   6.741
  504   2HB   ASP  80          2HB       ASP  80  12.531  -3.097   6.913
  505    H    ARG  81           H        ARG  81  12.700  -1.691   3.981
  506    HA   ARG  81           HA       ARG  81  10.974  -2.749   1.947
  507   1HB   ARG  81          1HB       ARG  81  13.802  -1.758   2.021
  508   2HB   ARG  81          2HB       ARG  81  13.216  -2.632   0.612
  509   1HG   ARG  81          1HG       ARG  81  11.404  -0.523   1.462
  510   2HG   ARG  81          2HG       ARG  81  13.011   0.073   1.044
  511   1HD   ARG  81          1HD       ARG  81  12.159  -1.868  -0.887
  512   2HD   ARG  81          2HD       ARG  81  10.917  -0.632  -0.698
  513    HE   ARG  81           HE       ARG  81  12.639   1.021  -1.232
  514   1HH1  ARG  81          1HH1      ARG  81  13.279  -2.311  -2.029
  515   2HH1  ARG  81          2HH1      ARG  81  14.427  -1.927  -3.268
  516   1HH2  ARG  81          1HH2      ARG  81  14.149   1.533  -2.862
  517   2HH2  ARG  81          2HH2      ARG  81  14.921   0.256  -3.741
  518    H    SER  82           H        SER  82  12.770  -4.201   4.317
  519    HA   SER  82           HA       SER  82  13.723  -6.453   2.773
  520   1HB   SER  82          1HB       SER  82  13.995  -7.250   5.353
  521   2HB   SER  82          2HB       SER  82  15.180  -6.259   4.503
  522    HG   SER  82           HG       SER  82  14.555  -5.379   6.543
  523    H    THR  83           H        THR  83  10.724  -5.593   3.638
  524    HA   THR  83           HA       THR  83   9.896  -8.365   4.207
  525    HB   THR  83           HB       THR  83   8.534  -7.667   5.824
  526    HG1  THR  83           HG1      THR  83   7.686  -5.685   3.967
  527   1HG2  THR  83          1HG2      THR  83  10.560  -5.971   5.904
  528   2HG2  THR  83          2HG2      THR  83   9.291  -4.801   5.537
  529   3HG2  THR  83          3HG2      THR  83   9.178  -5.798   6.987
  530    H    LYS  84           H        LYS  84  10.139  -6.403   1.689
  531    HA   LYS  84           HA       LYS  84   7.682  -6.075   0.496
  532   1HB   LYS  84          1HB       LYS  84  10.446  -6.446  -0.488
  533   2HB   LYS  84          2HB       LYS  84   9.170  -6.727  -1.663
  534   1HG   LYS  84          1HG       LYS  84   8.770  -4.553  -1.894
  535   2HG   LYS  84          2HG       LYS  84   8.741  -4.294  -0.148
  536   1HD   LYS  84          1HD       LYS  84  10.627  -3.127  -0.507
  537   2HD   LYS  84          2HD       LYS  84  11.394  -4.714  -0.589
  538   1HE   LYS  84          1HE       LYS  84  10.181  -3.729  -3.091
  539   2HE   LYS  84          2HE       LYS  84  11.597  -2.846  -2.520
  540   1HZ   LYS  84          1HZ       LYS  84  12.556  -5.242  -2.266
  541   2HZ   LYS  84          2HZ       LYS  84  11.380  -5.632  -3.417
  542   3HZ   LYS  84          3HZ       LYS  84  12.563  -4.476  -3.773
  543    HA   PRO  85           HA       PRO  85   5.698  -9.902  -0.415
  544   1HB   PRO  85          1HB       PRO  85   5.833  -9.090  -3.287
  545   2HB   PRO  85          2HB       PRO  85   4.454  -9.675  -2.348
  546   1HG   PRO  85          1HG       PRO  85   4.715  -7.084  -2.915
  547   2HG   PRO  85          2HG       PRO  85   4.093  -7.619  -1.343
  548   1HD   PRO  85          1HD       PRO  85   6.745  -6.478  -2.042
  549   2HD   PRO  85          2HD       PRO  85   5.828  -6.361  -0.530
  550    H    ALA  86           H        ALA  86   7.198 -11.472  -0.022
  551    HA   ALA  86           HA       ALA  86   8.504 -12.616  -2.346
  552   1HB   ALA  86          1HB       ALA  86   9.993 -11.436  -0.042
  553   2HB   ALA  86          2HB       ALA  86  10.647 -12.845  -0.878
  554   3HB   ALA  86          3HB       ALA  86  10.345 -11.352  -1.769

  No H/Q in entry =         554
  Start of MODEL    6
    1    H1   GLY  16           H1       GLY  16 -12.098 -11.575   8.454
    2    H2   GLY  16           H2       GLY  16 -13.001 -10.967   9.749
    3    H3   GLY  16           H3       GLY  16 -13.782 -11.715   8.449
    4   1HA   GLY  16          1HA       GLY  16 -12.537  -9.053   8.588
    5   2HA   GLY  16          2HA       GLY  16 -14.132  -9.494   7.999
    6    H    ARG  17           H        ARG  17 -12.979  -7.893   6.357
    7    HA   ARG  17           HA       ARG  17 -11.478  -9.440   4.375
    8   1HB   ARG  17          1HB       ARG  17 -13.100  -7.980   2.752
    9   2HB   ARG  17          2HB       ARG  17 -13.377  -9.663   3.183
   10   1HG   ARG  17          1HG       ARG  17 -14.491  -8.243   5.268
   11   2HG   ARG  17          2HG       ARG  17 -14.916  -7.308   3.833
   12   1HD   ARG  17          1HD       ARG  17 -16.211  -8.971   2.965
   13   2HD   ARG  17          2HD       ARG  17 -15.246 -10.253   3.699
   14    HE   ARG  17           HE       ARG  17 -16.848  -8.623   5.499
   15   1HH1  ARG  17          1HH1      ARG  17 -16.518 -11.591   3.703
   16   2HH1  ARG  17          2HH1      ARG  17 -17.690 -12.444   4.650
   17   1HH2  ARG  17          1HH2      ARG  17 -18.392  -9.739   6.751
   18   2HH2  ARG  17          2HH2      ARG  17 -18.755 -11.392   6.384
   19    H    VAL  18           H        VAL  18 -10.380  -7.613   6.066
   20    HA   VAL  18           HA       VAL  18 -10.273  -4.989   4.929
   21    HB   VAL  18           HB       VAL  18  -7.928  -5.443   6.474
   22   1HG1  VAL  18          1HG1      VAL  18  -9.138  -3.339   6.285
   23   2HG1  VAL  18          2HG1      VAL  18 -10.508  -4.037   7.150
   24   3HG1  VAL  18          3HG1      VAL  18  -8.964  -3.817   7.974
   25   1HG2  VAL  18          1HG2      VAL  18 -10.425  -6.559   7.748
   26   2HG2  VAL  18          2HG2      VAL  18  -8.939  -7.438   7.388
   27   3HG2  VAL  18          3HG2      VAL  18  -8.939  -6.167   8.611
   28    H    ARG  19           H        ARG  19  -9.441  -4.686   2.968
   29    HA   ARG  19           HA       ARG  19  -6.699  -5.472   2.474
   30   1HB   ARG  19          1HB       ARG  19  -7.291  -6.485   0.251
   31   2HB   ARG  19          2HB       ARG  19  -7.766  -7.439   1.649
   32   1HG   ARG  19          1HG       ARG  19 -10.025  -6.968   1.358
   33   2HG   ARG  19          2HG       ARG  19  -9.697  -5.565   0.338
   34   1HD   ARG  19          1HD       ARG  19  -8.925  -6.999  -1.448
   35   2HD   ARG  19          2HD       ARG  19  -9.111  -8.424  -0.425
   36    HE   ARG  19           HE       ARG  19 -11.316  -6.792  -1.494
   37   1HH1  ARG  19          1HH1      ARG  19 -10.096  -9.761  -0.137
   38   2HH1  ARG  19          2HH1      ARG  19 -11.574 -10.630  -0.382
   39   1HH2  ARG  19          1HH2      ARG  19 -13.265  -7.930  -1.820
   40   2HH2  ARG  19          2HH2      ARG  19 -13.374  -9.589  -1.338
   41    H    TRP  20           H        TRP  20  -7.197  -2.981   2.835
   42    HA   TRP  20           HA       TRP  20  -7.132  -1.785   0.171
   43   1HB   TRP  20          1HB       TRP  20  -8.843  -0.788   2.451
   44   2HB   TRP  20          2HB       TRP  20  -8.543   0.105   0.967
   45    HD1  TRP  20           HD1      TRP  20 -10.240  -3.135   2.189
   46    HE1  TRP  20           HE1      TRP  20 -12.039  -3.789   0.448
   47    HE3  TRP  20           HE3      TRP  20  -9.332   0.469  -1.319
   48    HZ2  TRP  20           HZ2      TRP  20 -12.928  -2.879  -2.085
   49    HZ3  TRP  20           HZ3      TRP  20 -10.701   0.516  -3.360
   50    HH2  TRP  20           HH2      TRP  20 -12.468  -1.125  -3.731
   51    H    ALA  21           H        ALA  21  -6.071   0.318   0.138
   52    HA   ALA  21           HA       ALA  21  -4.377   0.750   2.495
   53   1HB   ALA  21          1HB       ALA  21  -3.384  -0.241   0.242
   54   2HB   ALA  21          3HB       ALA  21  -3.353   1.467  -0.198
   55   3HB   ALA  21          2HB       ALA  21  -2.484   0.910   1.231
   56    H    ARG  22           H        ARG  22  -5.269   2.535   3.391
   57    HA   ARG  22           HA       ARG  22  -5.877   4.779   1.594
   58   1HB   ARG  22          1HB       ARG  22  -7.819   4.478   2.813
   59   2HB   ARG  22          2HB       ARG  22  -6.966   3.955   4.260
   60   1HG   ARG  22          1HG       ARG  22  -6.118   6.431   4.292
   61   2HG   ARG  22          2HG       ARG  22  -7.529   6.710   3.270
   62   1HD   ARG  22          1HD       ARG  22  -8.677   5.250   5.193
   63   2HD   ARG  22          2HD       ARG  22  -7.367   5.969   6.131
   64    HE   ARG  22           HE       ARG  22  -8.702   7.945   4.606
   65   1HH1  ARG  22          1HH1      ARG  22  -9.073   5.954   7.442
   66   2HH1  ARG  22          2HH1      ARG  22 -10.127   7.070   8.243
   67   1HH2  ARG  22          1HH2      ARG  22 -10.087   9.419   5.655
   68   2HH2  ARG  22          2HH2      ARG  22 -10.704   9.038   7.228
   69    H    ALA  23           H        ALA  23  -4.204   6.014   1.363
   70    HA   ALA  23           HA       ALA  23  -2.087   6.183   3.256
   71   1HB   ALA  23          1HB       ALA  23  -2.688   7.552   0.667
   72   2HB   ALA  23          3HB       ALA  23  -1.396   6.417   1.057
   73   3HB   ALA  23          2HB       ALA  23  -1.334   8.069   1.674
   74    H    LEU  24           H        LEU  24  -1.910   7.422   4.961
   75    HA   LEU  24           HA       LEU  24  -3.737   9.683   5.318
   76   1HB   LEU  24          1HB       LEU  24  -1.844   9.001   7.476
   77   2HB   LEU  24          2HB       LEU  24  -3.560   9.354   7.561
   78    HG   LEU  24           HG       LEU  24  -2.715   6.737   6.407
   79   1HD1  LEU  24          1HD1      LEU  24  -2.336   7.594   9.218
   80   2HD1  LEU  24          2HD1      LEU  24  -3.022   5.993   8.940
   81   3HD1  LEU  24          3HD1      LEU  24  -1.448   6.408   8.262
   82   1HD2  LEU  24          1HD2      LEU  24  -5.127   7.992   7.156
   83   2HD2  LEU  24          2HD2      LEU  24  -4.894   6.356   6.542
   84   3HD2  LEU  24          3HD2      LEU  24  -4.867   6.659   8.279
   85    H    TYR  25           H        TYR  25  -0.557   8.835   4.562
   86    HA   TYR  25           HA       TYR  25   0.272  11.640   4.471
   87   1HB   TYR  25          1HB       TYR  25   2.394   9.681   5.156
   88   2HB   TYR  25          2HB       TYR  25   2.206  11.356   5.660
   89    HD1  TYR  25           HD1      TYR  25   1.883   7.944   6.621
   90    HD2  TYR  25           HD2      TYR  25   0.415  11.851   7.441
   91    HE1  TYR  25           HE1      TYR  25   1.105   7.182   8.826
   92    HE2  TYR  25           HE2      TYR  25  -0.368  11.099   9.648
   93    HH   TYR  25           HH       TYR  25  -0.922   9.142  10.835
   94    H    ASP  26           H        ASP  26   2.532  11.619   3.202
   95    HA   ASP  26           HA       ASP  26   2.022  10.934   0.582
   96   1HB   ASP  26          1HB       ASP  26   3.932  12.374   1.719
   97   2HB   ASP  26          2HB       ASP  26   4.858  10.891   1.517
   98    H    PHE  27           H        PHE  27   3.773   9.485  -0.671
   99    HA   PHE  27           HA       PHE  27   3.363   6.775   0.375
  100   1HB   PHE  27          1HB       PHE  27   3.538   6.010  -1.873
  101   2HB   PHE  27          2HB       PHE  27   2.518   7.446  -1.904
  102    HD1  PHE  27           HD1      PHE  27   5.664   5.970  -2.929
  103    HD2  PHE  27           HD2      PHE  27   3.378   9.557  -2.808
  104    HE1  PHE  27           HE1      PHE  27   7.157   6.981  -4.612
  105    HE2  PHE  27           HE2      PHE  27   4.862  10.571  -4.488
  106    HZ   PHE  27           HZ       PHE  27   6.756   9.282  -5.393
  107    H    GLU  28           H        GLU  28   4.991   5.244   0.475
  108    HA   GLU  28           HA       GLU  28   7.706   6.337   0.634
  109   1HB   GLU  28          1HB       GLU  28   6.747   3.650   1.609
  110   2HB   GLU  28          2HB       GLU  28   8.252   4.460   2.016
  111   1HG   GLU  28          1HG       GLU  28   6.039   6.139   2.702
  112   2HG   GLU  28          2HG       GLU  28   5.819   4.536   3.400
  113    H    ALA  29           H        ALA  29   6.038   5.107  -1.788
  114    HA   ALA  29           HA       ALA  29   7.573   2.849  -2.581
  115   1HB   ALA  29          3HB       ALA  29   6.017   2.670  -4.156
  116   2HB   ALA  29          1HB       ALA  29   5.273   4.131  -3.503
  117   3HB   ALA  29          2HB       ALA  29   6.433   4.248  -4.826
  118    H    LEU  30           H        LEU  30   9.713   3.095  -2.752
  119    HA   LEU  30           HA       LEU  30  10.749   5.371  -4.295
  120   1HB   LEU  30          1HB       LEU  30  12.525   3.517  -2.769
  121   2HB   LEU  30          2HB       LEU  30  12.740   5.220  -3.129
  122    HG   LEU  30           HG       LEU  30  10.792   4.103  -1.106
  123   1HD1  LEU  30          1HD1      LEU  30  13.551   4.387  -0.900
  124   2HD1  LEU  30          2HD1      LEU  30  12.889   5.807  -0.091
  125   3HD1  LEU  30          3HD1      LEU  30  12.401   4.191   0.422
  126   1HD2  LEU  30          1HD2      LEU  30  10.167   6.263  -2.252
  127   2HD2  LEU  30          2HD2      LEU  30  10.325   6.345  -0.497
  128   3HD2  LEU  30          3HD2      LEU  30  11.612   6.969  -1.528
  129    H    GLU  31           H        GLU  31  10.058   2.093  -4.479
  130    HA   GLU  31           HA       GLU  31  12.114   1.547  -6.491
  131   1HB   GLU  31          1HB       GLU  31  10.368  -0.093  -4.772
  132   2HB   GLU  31          2HB       GLU  31  10.629  -0.727  -6.392
  133   1HG   GLU  31          1HG       GLU  31  12.772  -0.008  -4.403
  134   2HG   GLU  31          2HG       GLU  31  12.237  -1.637  -4.816
  135    H    GLU  32           H        GLU  32  11.190   0.092  -8.372
  136    HA   GLU  32           HA       GLU  32   9.155   1.734  -9.675
  137   1HB   GLU  32          1HB       GLU  32   9.896   0.674 -11.749
  138   2HB   GLU  32          2HB       GLU  32  11.259   1.355 -10.872
  139   1HG   GLU  32          1HG       GLU  32  11.095  -1.257  -9.960
  140   2HG   GLU  32          2HG       GLU  32  10.757  -1.369 -11.687
  141    H    ASP  33           H        ASP  33   9.616  -1.428  -8.352
  142    HA   ASP  33           HA       ASP  33   7.335  -2.588  -9.700
  143   1HB   ASP  33          1HB       ASP  33   9.566  -3.560  -8.182
  144   2HB   ASP  33          2HB       ASP  33   8.076  -4.163  -7.459
  145    H    GLU  34           H        GLU  34   7.579  -0.357  -7.363
  146    HA   GLU  34           HA       GLU  34   5.358  -1.397  -5.754
  147   1HB   GLU  34          1HB       GLU  34   7.161   0.973  -5.241
  148   2HB   GLU  34          2HB       GLU  34   5.918   0.371  -4.152
  149   1HG   GLU  34          1HG       GLU  34   7.117  -1.607  -3.713
  150   2HG   GLU  34          2HG       GLU  34   8.219  -1.328  -5.059
  151    H    LEU  35           H        LEU  35   4.238   0.888  -4.819
  152    HA   LEU  35           HA       LEU  35   3.376   2.441  -7.146
  153   1HB   LEU  35          1HB       LEU  35   1.696   0.788  -7.086
  154   2HB   LEU  35          2HB       LEU  35   1.623   0.806  -5.334
  155    HG   LEU  35           HG       LEU  35   0.670   3.133  -5.488
  156   1HD1  LEU  35          1HD1      LEU  35   1.406   2.857  -8.179
  157   2HD1  LEU  35          2HD1      LEU  35  -0.357   2.848  -8.149
  158   3HD1  LEU  35          3HD1      LEU  35   0.529   4.192  -7.430
  159   1HD2  LEU  35          1HD2      LEU  35  -0.551   0.598  -5.940
  160   2HD2  LEU  35          2HD2      LEU  35  -1.214   2.020  -5.133
  161   3HD2  LEU  35          3HD2      LEU  35  -1.410   1.821  -6.876
  162    H    GLY  36           H        GLY  36   2.869   4.549  -6.687
  163   1HA   GLY  36          1HA       GLY  36   3.714   6.316  -5.231
  164   2HA   GLY  36          2HA       GLY  36   3.210   5.335  -3.868
  165    H    PHE  37           H        PHE  37   1.659   6.347  -2.846
  166    HA   PHE  37           HA       PHE  37  -0.540   7.538  -4.405
  167   1HB   PHE  37          1HB       PHE  37  -1.688   7.143  -2.007
  168   2HB   PHE  37          2HB       PHE  37  -1.751   5.955  -3.304
  169    HD1  PHE  37           HD1      PHE  37   0.664   6.928  -0.622
  170    HD2  PHE  37           HD2      PHE  37  -1.421   3.802  -2.619
  171    HE1  PHE  37           HE1      PHE  37   1.714   5.279   0.871
  172    HE2  PHE  37           HE2      PHE  37  -0.374   2.149  -1.132
  173    HZ   PHE  37           HZ       PHE  37   1.193   2.887   0.619
  174    H    ARG  38           H        ARG  38  -1.857   8.979  -2.627
  175    HA   ARG  38           HA       ARG  38   0.124  10.714  -1.310
  176   1HB   ARG  38          1HB       ARG  38  -2.238  11.669  -2.935
  177   2HB   ARG  38          2HB       ARG  38  -1.118  12.691  -2.044
  178   1HG   ARG  38          1HG       ARG  38   0.513  11.164  -3.662
  179   2HG   ARG  38          2HG       ARG  38  -0.870  11.554  -4.683
  180   1HD   ARG  38          1HD       ARG  38   0.506  13.367  -5.046
  181   2HD   ARG  38          2HD       ARG  38  -0.526  13.959  -3.746
  182    HE   ARG  38           HE       ARG  38   1.394  13.198  -2.252
  183   1HH1  ARG  38          1HH1      ARG  38   1.808  14.358  -5.511
  184   2HH1  ARG  38          2HH1      ARG  38   3.410  14.957  -5.233
  185   1HH2  ARG  38          1HH2      ARG  38   3.506  13.982  -1.876
  186   2HH2  ARG  38          2HH2      ARG  38   4.375  14.741  -3.168
  187    H    SER  39           H        SER  39  -1.047  12.337   0.182
  188    HA   SER  39           HA       SER  39  -2.312  10.953   2.220
  189   1HB   SER  39          1HB       SER  39  -1.359  13.009   2.831
  190   2HB   SER  39          2HB       SER  39  -2.180  13.880   1.535
  191    HG   SER  39           HG       SER  39  -3.507  12.676   3.735
  192    H    GLY  40           H        GLY  40  -4.424  10.733   2.909
  193   1HA   GLY  40          1HA       GLY  40  -6.701  11.906   1.850
  194   2HA   GLY  40          2HA       GLY  40  -6.668  10.348   2.657
  195    H    GLU  41           H        GLU  41  -5.419   8.666   1.020
  196    HA   GLU  41           HA       GLU  41  -7.083   8.760  -1.401
  197   1HB   GLU  41          1HB       GLU  41  -4.151   8.076  -1.244
  198   2HB   GLU  41          2HB       GLU  41  -5.157   7.696  -2.636
  199   1HG   GLU  41          1HG       GLU  41  -4.778  10.478  -1.560
  200   2HG   GLU  41          2HG       GLU  41  -3.794   9.775  -2.840
  201    H    VAL  42           H        VAL  42  -8.252   7.003  -1.727
  202    HA   VAL  42           HA       VAL  42  -7.827   4.669  -0.039
  203    HB   VAL  42           HB       VAL  42 -10.038   5.089  -2.049
  204   1HG1  VAL  42          1HG1      VAL  42  -9.497   2.792  -1.014
  205   2HG1  VAL  42          2HG1      VAL  42 -10.171   3.469   0.468
  206   3HG1  VAL  42          3HG1      VAL  42 -11.168   3.357  -0.982
  207   1HG2  VAL  42          1HG2      VAL  42 -10.002   6.966  -0.482
  208   2HG2  VAL  42          2HG2      VAL  42 -11.403   5.931  -0.210
  209   3HG2  VAL  42          3HG2      VAL  42 -10.016   5.838   0.873
  210    H    VAL  43           H        VAL  43  -7.067   2.749  -0.727
  211    HA   VAL  43           HA       VAL  43  -6.742   2.327  -3.622
  212    HB   VAL  43           HB       VAL  43  -4.675   1.711  -1.504
  213   1HG1  VAL  43          1HG1      VAL  43  -5.105   0.542  -4.046
  214   2HG1  VAL  43          2HG1      VAL  43  -3.662   1.551  -4.154
  215   3HG1  VAL  43          3HG1      VAL  43  -3.762   0.283  -2.932
  216   1HG2  VAL  43          1HG2      VAL  43  -5.183   4.059  -3.085
  217   2HG2  VAL  43          2HG2      VAL  43  -3.990   3.801  -1.812
  218   3HG2  VAL  43          3HG2      VAL  43  -3.606   3.374  -3.480
  219    H    GLU  44           H        GLU  44  -6.968   0.214  -4.354
  220    HA   GLU  44           HA       GLU  44  -8.214  -1.632  -2.453
  221   1HB   GLU  44          1HB       GLU  44  -9.433  -1.248  -4.515
  222   2HB   GLU  44          2HB       GLU  44  -8.028  -1.684  -5.471
  223   1HG   GLU  44          1HG       GLU  44  -8.194  -3.955  -4.868
  224   2HG   GLU  44          2HG       GLU  44  -9.343  -3.602  -3.578
  225    H    VAL  45           H        VAL  45  -7.020  -3.181  -1.534
  226    HA   VAL  45           HA       VAL  45  -4.349  -3.715  -2.455
  227    HB   VAL  45           HB       VAL  45  -5.958  -4.821  -0.160
  228   1HG1  VAL  45          1HG1      VAL  45  -3.127  -5.512  -0.942
  229   2HG1  VAL  45          2HG1      VAL  45  -3.898  -5.947   0.583
  230   3HG1  VAL  45          3HG1      VAL  45  -4.511  -6.605  -0.933
  231   1HG2  VAL  45          1HG2      VAL  45  -3.987  -2.673  -0.541
  232   2HG2  VAL  45          2HG2      VAL  45  -5.274  -2.836   0.653
  233   3HG2  VAL  45          3HG2      VAL  45  -3.741  -3.677   0.887
  234    H    LEU  46           H        LEU  46  -3.587  -5.456  -3.508
  235    HA   LEU  46           HA       LEU  46  -5.569  -7.370  -4.515
  236   1HB   LEU  46          1HB       LEU  46  -3.504  -5.913  -5.754
  237   2HB   LEU  46          2HB       LEU  46  -2.985  -7.588  -5.761
  238    HG   LEU  46           HG       LEU  46  -5.692  -6.746  -6.770
  239   1HD1  LEU  46          1HD1      LEU  46  -3.937  -5.548  -8.018
  240   2HD1  LEU  46          2HD1      LEU  46  -3.176  -7.094  -8.392
  241   3HD1  LEU  46          3HD1      LEU  46  -4.788  -6.733  -9.009
  242   1HD2  LEU  46          1HD2      LEU  46  -5.322  -9.125  -6.186
  243   2HD2  LEU  46          2HD2      LEU  46  -5.653  -8.871  -7.900
  244   3HD2  LEU  46          3HD2      LEU  46  -4.003  -9.173  -7.355
  245    H    ASP  47           H        ASP  47  -2.962  -7.099  -2.350
  246    HA   ASP  47           HA       ASP  47  -3.137  -9.873  -1.659
  247   1HB   ASP  47          1HB       ASP  47  -1.490  -9.662  -3.667
  248   2HB   ASP  47          2HB       ASP  47  -0.382  -9.002  -2.468
  249    H    SER  48           H        SER  48  -3.733  -8.939   0.329
  250    HA   SER  48           HA       SER  48  -1.886  -7.253   1.787
  251   1HB   SER  48          1HB       SER  48  -3.638  -7.955   3.674
  252   2HB   SER  48          2HB       SER  48  -4.020  -6.730   2.465
  253    HG   SER  48           HG       SER  48  -5.279  -8.144   1.404
  254    H    SER  49           H        SER  49  -1.773 -10.438   1.041
  255    HA   SER  49           HA       SER  49  -1.032 -11.400   3.652
  256   1HB   SER  49          1HB       SER  49  -0.693 -12.580   0.881
  257   2HB   SER  49          2HB       SER  49  -0.198 -13.402   2.361
  258    HG   SER  49           HG       SER  49  -2.435 -13.755   1.390
  259    H    ASN  50           H        ASN  50   0.701 -10.715   4.564
  260    HA   ASN  50           HA       ASN  50   3.305 -11.085   3.954
  261   1HB   ASN  50          1HB       ASN  50   2.188  -8.826   2.459
  262   2HB   ASN  50          2HB       ASN  50   3.628  -8.410   3.382
  263   1HD2  ASN  50          1HD2      ASN  50   2.844  -8.927   0.446
  264   2HD2  ASN  50          2HD2      ASN  50   4.141  -9.902  -0.140
  265    HA   PRO  51           HA       PRO  51   3.318  -9.070   7.893
  266   1HB   PRO  51          1HB       PRO  51   5.920  -9.073   8.491
  267   2HB   PRO  51          2HB       PRO  51   5.032 -10.584   8.265
  268   1HG   PRO  51          1HG       PRO  51   6.951  -9.224   6.445
  269   2HG   PRO  51          2HG       PRO  51   6.652 -10.953   6.675
  270   1HD   PRO  51          1HD       PRO  51   5.619  -9.308   4.616
  271   2HD   PRO  51          2HD       PRO  51   5.137 -10.974   4.989
  272    H    SER  52           H        SER  52   4.125  -7.280   5.258
  273    HA   SER  52           HA       SER  52   4.049  -4.839   6.685
  274   1HB   SER  52          1HB       SER  52   6.648  -5.994   6.413
  275   2HB   SER  52          2HB       SER  52   6.575  -4.530   5.433
  276    HG   SER  52           HG       SER  52   7.019  -4.569   7.937
  277    H    TRP  53           H        TRP  53   5.552  -6.075   3.676
  278    HA   TRP  53           HA       TRP  53   4.312  -3.852   2.238
  279   1HB   TRP  53          1HB       TRP  53   6.586  -5.703   1.684
  280   2HB   TRP  53          2HB       TRP  53   5.752  -4.965   0.321
  281    HD1  TRP  53           HD1      TRP  53   7.952  -4.061   3.326
  282    HE1  TRP  53           HE1      TRP  53   8.919  -1.704   2.951
  283    HE3  TRP  53           HE3      TRP  53   5.336  -2.768  -0.871
  284    HZ2  TRP  53           HZ2      TRP  53   8.613   0.423   1.116
  285    HZ3  TRP  53           HZ3      TRP  53   5.728  -0.555  -1.871
  286    HH2  TRP  53           HH2      TRP  53   7.333   1.005  -0.896
  287    H    TRP  54           H        TRP  54   2.382  -4.145   1.354
  288    HA   TRP  54           HA       TRP  54   1.668  -6.835   0.382
  289   1HB   TRP  54          1HB       TRP  54  -0.253  -4.581   0.995
  290   2HB   TRP  54          2HB       TRP  54  -0.646  -6.252   0.617
  291    HD1  TRP  54           HD1      TRP  54   1.791  -7.183   2.798
  292    HE1  TRP  54           HE1      TRP  54   1.028  -7.324   5.245
  293    HE3  TRP  54           HE3      TRP  54  -2.387  -4.266   2.510
  294    HZ2  TRP  54           HZ2      TRP  54  -1.057  -6.308   6.860
  295    HZ3  TRP  54           HZ3      TRP  54  -3.711  -3.895   4.550
  296    HH2  TRP  54           HH2      TRP  54  -3.059  -4.896   6.680
  297    H    THR  55           H        THR  55   0.881  -7.103  -1.688
  298    HA   THR  55           HA       THR  55   1.545  -4.992  -3.568
  299    HB   THR  55           HB       THR  55   0.410  -7.723  -4.190
  300    HG1  THR  55           HG1      THR  55   2.359  -8.518  -3.903
  301   1HG2  THR  55          1HG2      THR  55   1.516  -5.482  -5.781
  302   2HG2  THR  55          2HG2      THR  55   1.984  -7.110  -6.270
  303   3HG2  THR  55          3HG2      THR  55   0.278  -6.666  -6.201
  304    H    GLY  56           H        GLY  56   0.094  -3.493  -4.123
  305   1HA   GLY  56          1HA       GLY  56  -2.368  -2.948  -3.484
  306   2HA   GLY  56          2HA       GLY  56  -2.700  -4.314  -4.537
  307    H    ARG  57           H        ARG  57  -3.855  -1.942  -5.185
  308    HA   ARG  57           HA       ARG  57  -2.162  -0.554  -7.091
  309   1HB   ARG  57          1HB       ARG  57  -3.761  -0.961  -8.977
  310   2HB   ARG  57          2HB       ARG  57  -2.835  -2.374  -8.477
  311   1HG   ARG  57          1HG       ARG  57  -4.691  -3.388  -7.492
  312   2HG   ARG  57          2HG       ARG  57  -5.594  -1.872  -7.418
  313   1HD   ARG  57          1HD       ARG  57  -6.033  -1.891  -9.719
  314   2HD   ARG  57          2HD       ARG  57  -4.775  -3.082 -10.038
  315    HE   ARG  57           HE       ARG  57  -6.629  -4.307  -8.385
  316   1HH1  ARG  57          1HH1      ARG  57  -6.564  -2.891 -11.570
  317   2HH1  ARG  57          2HH1      ARG  57  -7.803  -3.927 -12.196
  318   1HH2  ARG  57          1HH2      ARG  57  -8.257  -5.680  -9.205
  319   2HH2  ARG  57          2HH2      ARG  57  -8.764  -5.511 -10.853
  320    H    LEU  58           H        LEU  58  -2.737   1.501  -7.398
  321    HA   LEU  58           HA       LEU  58  -5.163   2.467  -6.061
  322   1HB   LEU  58          1HB       LEU  58  -3.032   3.471  -5.379
  323   2HB   LEU  58          2HB       LEU  58  -2.705   3.934  -7.037
  324    HG   LEU  58           HG       LEU  58  -5.186   4.979  -5.749
  325   1HD1  LEU  58          1HD1      LEU  58  -3.296   5.247  -4.113
  326   2HD1  LEU  58          2HD1      LEU  58  -2.505   6.263  -5.320
  327   3HD1  LEU  58          3HD1      LEU  58  -4.065   6.741  -4.649
  328   1HD2  LEU  58          1HD2      LEU  58  -4.083   5.318  -8.194
  329   2HD2  LEU  58          2HD2      LEU  58  -5.125   6.504  -7.407
  330   3HD2  LEU  58          3HD2      LEU  58  -3.373   6.678  -7.324
  331    H    HIS  59           H        HIS  59  -6.882   2.796  -7.313
  332    HA   HIS  59           HA       HIS  59  -8.205   3.384  -9.068
  333   1HB   HIS  59          1HB       HIS  59  -5.835   5.099  -9.374
  334   2HB   HIS  59          2HB       HIS  59  -6.726   4.831 -10.869
  335    HD1  HIS  59           HD1      HIS  59  -8.127   6.831 -11.225
  336    HD2  HIS  59           HD2      HIS  59  -8.140   5.631  -7.247
  337    HE1  HIS  59           HE1      HIS  59  -9.736   8.375 -10.063
  338    HE2  HIS  59           HE2      HIS  59  -9.779   7.587  -7.671
  339    H    ASN  60           H        ASN  60  -5.294   3.436 -11.054
  340    HA   ASN  60           HA       ASN  60  -6.005   0.806 -12.144
  341   1HB   ASN  60          1HB       ASN  60  -6.156   3.371 -13.521
  342   2HB   ASN  60          2HB       ASN  60  -5.119   2.223 -14.362
  343   1HD2  ASN  60          1HD2      ASN  60  -7.534   3.193 -15.376
  344   2HD2  ASN  60          2HD2      ASN  60  -8.642   1.873 -15.501
  345    H    LYS  61           H        LYS  61  -3.719   2.540 -10.672
  346    HA   LYS  61           HA       LYS  61  -1.465   1.499 -12.220
  347   1HB   LYS  61          1HB       LYS  61  -1.358   3.274  -9.779
  348   2HB   LYS  61          2HB       LYS  61  -0.069   2.967 -10.935
  349   1HG   LYS  61          1HG       LYS  61  -1.408   4.103 -12.673
  350   2HG   LYS  61          2HG       LYS  61  -2.619   4.484 -11.447
  351   1HD   LYS  61          1HD       LYS  61  -1.347   6.420 -11.501
  352   2HD   LYS  61          2HD       LYS  61  -0.615   5.528 -10.165
  353   1HE   LYS  61          1HE       LYS  61   1.144   4.727 -11.643
  354   2HE   LYS  61          2HE       LYS  61   0.399   5.561 -13.005
  355   1HZ   LYS  61          1HZ       LYS  61   1.397   6.927 -10.567
  356   2HZ   LYS  61          2HZ       LYS  61   2.289   6.767 -11.995
  357   3HZ   LYS  61          3HZ       LYS  61   0.851   7.659 -11.991
  358    H    LEU  62           H        LEU  62  -0.315  -0.229 -11.551
  359    HA   LEU  62           HA       LEU  62  -1.083  -1.422  -8.981
  360   1HB   LEU  62          1HB       LEU  62   0.578  -2.987 -10.845
  361   2HB   LEU  62          2HB       LEU  62  -0.813  -3.473  -9.896
  362    HG   LEU  62           HG       LEU  62  -1.867  -1.764 -11.826
  363   1HD1  LEU  62          1HD1      LEU  62   0.164  -3.614 -13.063
  364   2HD1  LEU  62          2HD1      LEU  62  -1.067  -2.705 -13.939
  365   3HD1  LEU  62          3HD1      LEU  62   0.213  -1.852 -13.078
  366   1HD2  LEU  62          1HD2      LEU  62  -2.868  -3.813 -10.904
  367   2HD2  LEU  62          2HD2      LEU  62  -2.930  -3.769 -12.665
  368   3HD2  LEU  62          3HD2      LEU  62  -1.732  -4.775 -11.850
  369    H    GLY  63           H        GLY  63   0.485  -2.306  -7.580
  370   1HA   GLY  63          1HA       GLY  63   2.919  -0.738  -7.486
  371   2HA   GLY  63          2HA       GLY  63   3.162  -2.462  -7.730
  372    H    LEU  64           H        LEU  64   4.286  -2.543  -5.730
  373    HA   LEU  64           HA       LEU  64   2.652  -3.282  -3.535
  374   1HB   LEU  64          1HB       LEU  64   5.513  -2.646  -3.077
  375   2HB   LEU  64          2HB       LEU  64   4.574  -4.028  -2.548
  376    HG   LEU  64           HG       LEU  64   5.609  -3.607  -5.355
  377   1HD1  LEU  64          1HD1      LEU  64   6.819  -4.715  -2.966
  378   2HD1  LEU  64          2HD1      LEU  64   6.756  -5.881  -4.288
  379   3HD1  LEU  64          3HD1      LEU  64   7.545  -4.321  -4.525
  380   1HD2  LEU  64          1HD2      LEU  64   3.432  -5.009  -4.765
  381   2HD2  LEU  64          2HD2      LEU  64   4.592  -5.543  -5.981
  382   3HD2  LEU  64          3HD2      LEU  64   4.641  -6.226  -4.355
  383    H    PHE  65           H        PHE  65   2.881  -2.356  -1.314
  384    HA   PHE  65           HA       PHE  65   3.577   0.463  -1.181
  385   1HB   PHE  65          1HB       PHE  65   1.475   1.326  -0.712
  386   2HB   PHE  65          2HB       PHE  65   1.092   0.129  -1.949
  387    HD1  PHE  65           HD1      PHE  65  -0.130  -1.886  -1.378
  388    HD2  PHE  65           HD2      PHE  65   0.887   0.987   1.587
  389    HE1  PHE  65           HE1      PHE  65  -1.699  -2.952   0.188
  390    HE2  PHE  65           HE2      PHE  65  -0.666  -0.066   3.159
  391    HZ   PHE  65           HZ       PHE  65  -1.971  -2.045   2.465
  392    HA   PRO  66           HA       PRO  66   4.456  -0.594   3.042
  393   1HB   PRO  66          1HB       PRO  66   4.327   1.757   4.278
  394   2HB   PRO  66          2HB       PRO  66   5.517   1.490   2.996
  395   1HG   PRO  66          1HG       PRO  66   2.832   2.825   2.825
  396   2HG   PRO  66          2HG       PRO  66   4.393   3.406   2.227
  397   1HD   PRO  66          1HD       PRO  66   2.597   2.165   0.624
  398   2HD   PRO  66          2HD       PRO  66   4.345   2.033   0.384
  399    H    ALA  67           H        ALA  67   2.878  -1.896   3.956
  400    HA   ALA  67           HA       ALA  67   0.225  -1.025   4.472
  401   1HB   ALA  67          2HB       ALA  67   1.502  -3.458   4.453
  402   2HB   ALA  67          1HB       ALA  67   1.131  -3.218   6.160
  403   3HB   ALA  67          3HB       ALA  67  -0.162  -3.169   4.961
  404    H    ASN  68           H        ASN  68   3.102  -0.256   5.958
  405    HA   ASN  68           HA       ASN  68   1.963   0.061   8.624
  406   1HB   ASN  68          1HB       ASN  68   4.073  -0.415   9.204
  407   2HB   ASN  68          2HB       ASN  68   4.624  -0.246   7.541
  408   1HD2  ASN  68          1HD2      ASN  68   5.036   1.975   6.795
  409   2HD2  ASN  68          2HD2      ASN  68   5.687   3.113   7.918
  410    H    TYR  69           H        TYR  69   2.996   1.968   5.863
  411    HA   TYR  69           HA       TYR  69   2.799   4.484   7.202
  412   1HB   TYR  69          1HB       TYR  69   3.883   3.649   4.816
  413   2HB   TYR  69          2HB       TYR  69   2.463   4.547   4.292
  414    HD1  TYR  69           HD1      TYR  69   5.177   4.948   6.841
  415    HD2  TYR  69           HD2      TYR  69   2.834   6.761   3.790
  416    HE1  TYR  69           HE1      TYR  69   6.400   7.057   7.163
  417    HE2  TYR  69           HE2      TYR  69   4.052   8.874   4.102
  418    HH   TYR  69           HH       TYR  69   6.926   9.111   5.766
  419    H    VAL  70           H        VAL  70   0.633   2.524   5.213
  420    HA   VAL  70           HA       VAL  70  -1.522   4.428   5.897
  421    HB   VAL  70           HB       VAL  70  -2.449   4.328   3.814
  422   1HG1  VAL  70          1HG1      VAL  70   0.022   5.076   3.762
  423   2HG1  VAL  70          2HG1      VAL  70   0.292   3.569   2.885
  424   3HG1  VAL  70          3HG1      VAL  70  -0.812   4.782   2.236
  425   1HG2  VAL  70          1HG2      VAL  70  -1.261   1.581   3.610
  426   2HG2  VAL  70          2HG2      VAL  70  -2.957   2.063   3.556
  427   3HG2  VAL  70          3HG2      VAL  70  -1.896   2.415   2.191
  428    H    ALA  71           H        ALA  71  -3.647   3.521   6.197
  429    HA   ALA  71           HA       ALA  71  -3.587   0.685   7.013
  430   1HB   ALA  71          3HB       ALA  71  -5.399   2.720   8.263
  431   2HB   ALA  71          2HB       ALA  71  -4.889   1.152   8.891
  432   3HB   ALA  71          1HB       ALA  71  -3.744   2.493   8.830
  433    HA   PRO  72           HA       PRO  72  -6.857  -0.210   4.205
  434   1HB   PRO  72          1HB       PRO  72  -8.047  -1.849   6.370
  435   2HB   PRO  72          2HB       PRO  72  -7.599  -2.304   4.722
  436   1HG   PRO  72          1HG       PRO  72  -6.112  -3.073   6.759
  437   2HG   PRO  72          2HG       PRO  72  -5.349  -2.523   5.256
  438   1HD   PRO  72          1HD       PRO  72  -5.701  -1.041   7.844
  439   2HD   PRO  72          2HD       PRO  72  -4.290  -1.098   6.766
  440    H    MET  73           H        MET  73  -9.317  -0.600   4.261
  441    HA   MET  73           HA       MET  73 -10.773   1.135   6.057
  442   1HB   MET  73          1HB       MET  73  -9.745   2.376   3.953
  443   2HB   MET  73          2HB       MET  73 -11.136   1.663   3.154
  444   1HG   MET  73          1HG       MET  73 -11.507   3.192   5.687
  445   2HG   MET  73          2HG       MET  73 -11.286   4.051   4.164
  446   1HE   MET  73          1HE       MET  73 -13.005   5.021   3.235
  447   2HE   MET  73          2HE       MET  73 -13.339   3.783   2.024
  448   3HE   MET  73          3HE       MET  73 -14.657   4.453   2.988
  449    H    MET  74           H        MET  74 -12.811   0.390   6.352
  450    HA   MET  74           HA       MET  74 -13.620  -1.919   4.754
  451   1HB   MET  74          1HB       MET  74 -13.603  -2.255   7.143
  452   2HB   MET  74          2HB       MET  74 -14.629  -0.850   7.392
  453   1HG   MET  74          1HG       MET  74 -16.514  -1.942   6.759
  454   2HG   MET  74          2HG       MET  74 -15.659  -3.024   5.662
  455   1HE   MET  74          1HE       MET  74 -17.796  -4.405   7.023
  456   2HE   MET  74          2HE       MET  74 -17.562  -5.055   8.645
  457   3HE   MET  74          3HE       MET  74 -17.920  -3.343   8.425
  458    H    ARG  75           H        ARG  75 -14.784  -1.454   3.021
  459    HA   ARG  75           HA       ARG  75 -16.302   0.906   2.677
  460   1HB   ARG  75          1HB       ARG  75 -16.810  -1.591   1.095
  461   2HB   ARG  75          2HB       ARG  75 -16.850   0.083   0.562
  462   1HG   ARG  75          1HG       ARG  75 -14.226  -0.722   1.511
  463   2HG   ARG  75          2HG       ARG  75 -14.801  -1.703   0.162
  464   1HD   ARG  75          1HD       ARG  75 -14.310   1.249   0.281
  465   2HD   ARG  75          2HD       ARG  75 -13.697   0.068  -0.875
  466    HE   ARG  75           HE       ARG  75 -16.291  -0.042  -1.400
  467   1HH1  ARG  75          1HH1      ARG  75 -14.235   2.722  -0.871
  468   2HH1  ARG  75          2HH1      ARG  75 -15.161   3.767  -1.895
  469   1HH2  ARG  75          1HH2      ARG  75 -17.514   1.326  -2.750
  470   2HH2  ARG  75          2HH2      ARG  75 -17.026   2.974  -2.963
  471    H1   ALA  76           H1       ALA  76   5.080   7.362  13.756
  472    H2   ALA  76           H2       ALA  76   5.881   8.818  14.072
  473    H3   ALA  76           H3       ALA  76   4.332   8.835  13.394
  474    HA   ALA  76           HA       ALA  76   5.139   8.755  11.365
  475   1HB   ALA  76          1HB       ALA  76   7.334   9.488  13.013
  476   2HB   ALA  76          2HB       ALA  76   7.940   8.479  11.699
  477   3HB   ALA  76          3HB       ALA  76   7.014   9.936  11.339
  478    HA   PRO  77           HA       PRO  77   5.207   4.151  11.243
  479   1HB   PRO  77          1HB       PRO  77   4.305   4.936   8.507
  480   2HB   PRO  77          2HB       PRO  77   3.685   3.670   9.575
  481   1HG   PRO  77          1HG       PRO  77   2.349   5.943   9.289
  482   2HG   PRO  77          2HG       PRO  77   2.495   5.183  10.886
  483   1HD   PRO  77          1HD       PRO  77   3.923   7.562   9.780
  484   2HD   PRO  77          2HD       PRO  77   3.344   7.259  11.430
  485    H    SER  78           H        SER  78   6.997   3.063  10.785
  486    HA   SER  78           HA       SER  78   8.708   4.011   8.583
  487   1HB   SER  78          1HB       SER  78   9.437   3.854  11.197
  488   2HB   SER  78          2HB       SER  78   9.924   2.259  10.626
  489    HG   SER  78           HG       SER  78  10.626   4.260   8.910
  490    H    ILE  79           H        ILE  79   8.616   2.766   6.876
  491    HA   ILE  79           HA       ILE  79   8.014  -0.082   7.229
  492    HB   ILE  79           HB       ILE  79   7.039   1.885   5.412
  493   1HG1  ILE  79          1HG1      ILE  79   5.960  -0.100   6.701
  494   2HG1  ILE  79          2HG1      ILE  79   5.309   0.373   5.140
  495   1HG2  ILE  79          1HG2      ILE  79   8.913   1.183   3.953
  496   2HG2  ILE  79          2HG2      ILE  79   8.276  -0.460   3.979
  497   3HG2  ILE  79          3HG2      ILE  79   7.324   0.844   3.268
  498   1HD1  ILE  79          1HD1      ILE  79   7.389  -1.735   5.184
  499   2HD1  ILE  79          2HD1      ILE  79   5.778  -2.146   5.770
  500   3HD1  ILE  79          3HD1      ILE  79   5.992  -1.543   4.127
  501    H    ASP  80           H        ASP  80   9.335  -1.641   6.515
  502    HA   ASP  80           HA       ASP  80  11.979  -0.818   5.547
  503   1HB   ASP  80          1HB       ASP  80  11.193  -3.532   6.616
  504   2HB   ASP  80          2HB       ASP  80  12.819  -2.884   6.415
  505    H    ARG  81           H        ARG  81  12.455  -1.096   3.473
  506    HA   ARG  81           HA       ARG  81  10.694  -2.513   1.713
  507   1HB   ARG  81          1HB       ARG  81  13.396  -1.273   1.172
  508   2HB   ARG  81          2HB       ARG  81  12.262  -1.829  -0.052
  509   1HG   ARG  81          1HG       ARG  81  10.659  -0.148   1.250
  510   2HG   ARG  81          2HG       ARG  81  12.212   0.607   1.621
  511   1HD   ARG  81          1HD       ARG  81  10.993   0.075  -1.077
  512   2HD   ARG  81          2HD       ARG  81  11.437   1.627  -0.367
  513    HE   ARG  81           HE       ARG  81  13.135  -0.126  -1.825
  514   1HH1  ARG  81          1HH1      ARG  81  13.104   2.135   0.825
  515   2HH1  ARG  81          2HH1      ARG  81  14.774   2.561   0.650
  516   1HH2  ARG  81          1HH2      ARG  81  15.334   0.427  -2.061
  517   2HH2  ARG  81          2HH2      ARG  81  16.040   1.591  -0.991
  518    H    SER  82           H        SER  82  13.106  -3.550   3.729
  519    HA   SER  82           HA       SER  82  14.274  -5.541   2.004
  520   1HB   SER  82          1HB       SER  82  15.324  -6.341   4.167
  521   2HB   SER  82          2HB       SER  82  15.697  -4.679   3.714
  522    HG   SER  82           HG       SER  82  14.756  -4.027   5.469
  523    H    THR  83           H        THR  83  11.282  -5.347   3.220
  524    HA   THR  83           HA       THR  83  11.086  -8.266   3.566
  525    HB   THR  83           HB       THR  83  10.766  -7.180   5.733
  526    HG1  THR  83           HG1      THR  83   9.453  -8.840   5.869
  527   1HG2  THR  83          1HG2      THR  83   9.340  -5.266   4.199
  528   2HG2  THR  83          2HG2      THR  83   8.217  -5.971   5.363
  529   3HG2  THR  83          3HG2      THR  83   9.716  -5.229   5.922
  530    H    LYS  84           H        LYS  84  10.697  -6.513   1.190
  531    HA   LYS  84           HA       LYS  84   7.997  -6.153   0.561
  532   1HB   LYS  84          1HB       LYS  84  10.537  -6.324  -0.928
  533   2HB   LYS  84          2HB       LYS  84   9.104  -6.726  -1.864
  534   1HG   LYS  84          1HG       LYS  84   8.466  -4.599  -1.997
  535   2HG   LYS  84          2HG       LYS  84   8.759  -4.315  -0.281
  536   1HD   LYS  84          1HD       LYS  84  10.235  -2.879  -1.439
  537   2HD   LYS  84          2HD       LYS  84  11.224  -4.219  -0.856
  538   1HE   LYS  84          1HE       LYS  84  11.764  -3.611  -3.172
  539   2HE   LYS  84          2HE       LYS  84  11.154  -5.260  -3.043
  540   1HZ   LYS  84          1HZ       LYS  84   8.985  -3.543  -3.474
  541   2HZ   LYS  84          2HZ       LYS  84  10.171  -3.173  -4.621
  542   3HZ   LYS  84          3HZ       LYS  84   9.582  -4.753  -4.495
  543    HA   PRO  85           HA       PRO  85   5.984 -10.001  -0.264
  544   1HB   PRO  85          1HB       PRO  85   5.994  -9.268  -3.160
  545   2HB   PRO  85          2HB       PRO  85   4.666  -9.864  -2.157
  546   1HG   PRO  85          1HG       PRO  85   4.843  -7.280  -2.791
  547   2HG   PRO  85          2HG       PRO  85   4.286  -7.797  -1.189
  548   1HD   PRO  85          1HD       PRO  85   6.870  -6.582  -1.992
  549   2HD   PRO  85          2HD       PRO  85   6.017  -6.500  -0.441
  550    H    ALA  86           H        ALA  86   7.614 -11.473   0.138
  551    HA   ALA  86           HA       ALA  86   9.276 -12.251  -2.164
  552   1HB   ALA  86          3HB       ALA  86  10.388 -11.478  -0.001
  553   2HB   ALA  86          2HB       ALA  86  10.942 -13.004  -0.693
  554   3HB   ALA  86          1HB       ALA  86   9.844 -13.009   0.686

  No H/Q in entry =         554
  Start of MODEL    7
    1    H1   GLY  16           H1       GLY  16 -13.279  -9.625   8.833
    2    H2   GLY  16           H2       GLY  16 -14.683  -8.796   9.282
    3    H3   GLY  16           H3       GLY  16 -14.797 -10.306   8.526
    4   1HA   GLY  16          1HA       GLY  16 -14.414  -7.684   7.376
    5   2HA   GLY  16          2HA       GLY  16 -15.135  -9.122   6.670
    6    H    ARG  17           H        ARG  17 -13.644  -7.706   5.024
    7    HA   ARG  17           HA       ARG  17 -11.096  -9.176   4.878
    8   1HB   ARG  17          1HB       ARG  17 -13.157  -8.567   2.815
    9   2HB   ARG  17          2HB       ARG  17 -11.473  -8.600   2.312
   10   1HG   ARG  17          1HG       ARG  17 -11.554 -10.803   2.191
   11   2HG   ARG  17          2HG       ARG  17 -11.938 -10.882   3.913
   12   1HD   ARG  17          1HD       ARG  17 -13.903 -10.594   1.643
   13   2HD   ARG  17          2HD       ARG  17 -13.635 -12.037   2.619
   14    HE   ARG  17           HE       ARG  17 -14.492  -9.599   3.980
   15   1HH1  ARG  17          1HH1      ARG  17 -15.260 -12.783   2.785
   16   2HH1  ARG  17          2HH1      ARG  17 -16.702 -12.930   3.732
   17   1HH2  ARG  17          1HH2      ARG  17 -16.389  -9.786   5.230
   18   2HH2  ARG  17          2HH2      ARG  17 -17.345 -11.226   5.120
   19    H    VAL  18           H        VAL  18  -9.684  -7.724   5.656
   20    HA   VAL  18           HA       VAL  18  -9.802  -4.948   4.807
   21    HB   VAL  18           HB       VAL  18  -7.751  -4.736   6.303
   22   1HG1  VAL  18          1HG1      VAL  18 -10.053  -4.098   6.946
   23   2HG1  VAL  18          2HG1      VAL  18 -10.291  -5.719   7.595
   24   3HG1  VAL  18          3HG1      VAL  18  -9.083  -4.653   8.311
   25   1HG2  VAL  18          1HG2      VAL  18  -7.999  -7.564   6.300
   26   2HG2  VAL  18          2HG2      VAL  18  -6.803  -6.566   7.127
   27   3HG2  VAL  18          3HG2      VAL  18  -8.311  -6.990   7.938
   28    H    ARG  19           H        ARG  19  -9.329  -5.275   2.571
   29    HA   ARG  19           HA       ARG  19  -6.457  -5.686   2.066
   30   1HB   ARG  19          1HB       ARG  19  -7.912  -6.232  -0.317
   31   2HB   ARG  19          2HB       ARG  19  -6.899  -7.323   0.615
   32   1HG   ARG  19          1HG       ARG  19  -9.229  -7.300   2.059
   33   2HG   ARG  19          2HG       ARG  19  -9.799  -7.188   0.393
   34   1HD   ARG  19          1HD       ARG  19  -9.529  -9.392   0.259
   35   2HD   ARG  19          2HD       ARG  19  -7.791  -9.102   0.307
   36    HE   ARG  19           HE       ARG  19  -8.911  -9.197   2.922
   37   1HH1  ARG  19          1HH1      ARG  19  -7.870 -11.194   0.259
   38   2HH1  ARG  19          2HH1      ARG  19  -7.529 -12.568   1.256
   39   1HH2  ARG  19          1HH2      ARG  19  -8.469 -11.006   4.239
   40   2HH2  ARG  19          2HH2      ARG  19  -7.873 -12.463   3.517
   41    H    TRP  20           H        TRP  20  -7.014  -3.243   2.629
   42    HA   TRP  20           HA       TRP  20  -7.054  -1.838   0.066
   43   1HB   TRP  20          1HB       TRP  20  -8.722  -1.103   2.484
   44   2HB   TRP  20          2HB       TRP  20  -8.510  -0.072   1.069
   45    HD1  TRP  20           HD1      TRP  20 -10.053  -3.453   2.076
   46    HE1  TRP  20           HE1      TRP  20 -11.858  -4.061   0.333
   47    HE3  TRP  20           HE3      TRP  20  -9.343   0.399  -1.211
   48    HZ2  TRP  20           HZ2      TRP  20 -12.831  -3.033  -2.114
   49    HZ3  TRP  20           HZ3      TRP  20 -10.755   0.517  -3.222
   50    HH2  TRP  20           HH2      TRP  20 -12.468  -1.165  -3.660
   51    H    ALA  21           H        ALA  21  -6.044   0.298   0.173
   52    HA   ALA  21           HA       ALA  21  -4.345   0.654   2.536
   53   1HB   ALA  21          1HB       ALA  21  -2.414   0.767   1.334
   54   2HB   ALA  21          2HB       ALA  21  -3.305  -0.351   0.302
   55   3HB   ALA  21          3HB       ALA  21  -3.222   1.359  -0.118
   56    H    ARG  22           H        ARG  22  -5.214   2.450   3.401
   57    HA   ARG  22           HA       ARG  22  -5.763   4.709   1.606
   58   1HB   ARG  22          1HB       ARG  22  -7.718   4.267   2.846
   59   2HB   ARG  22          2HB       ARG  22  -6.819   3.989   4.334
   60   1HG   ARG  22          1HG       ARG  22  -6.222   6.420   4.316
   61   2HG   ARG  22          2HG       ARG  22  -7.329   6.615   2.956
   62   1HD   ARG  22          1HD       ARG  22  -8.371   7.187   5.116
   63   2HD   ARG  22          2HD       ARG  22  -9.181   5.848   4.303
   64    HE   ARG  22           HE       ARG  22  -7.915   4.370   5.857
   65   1HH1  ARG  22          1HH1      ARG  22  -8.536   7.695   6.695
   66   2HH1  ARG  22          2HH1      ARG  22  -8.440   7.416   8.401
   67   1HH2  ARG  22          1HH2      ARG  22  -7.786   3.996   8.101
   68   2HH2  ARG  22          2HH2      ARG  22  -8.013   5.315   9.200
   69    H    ALA  23           H        ALA  23  -4.077   5.945   1.414
   70    HA   ALA  23           HA       ALA  23  -2.032   6.101   3.407
   71   1HB   ALA  23          1HB       ALA  23  -1.474   6.168   1.045
   72   2HB   ALA  23          3HB       ALA  23  -2.384   7.667   0.859
   73   3HB   ALA  23          2HB       ALA  23  -0.930   7.637   1.857
   74    H    LEU  24           H        LEU  24  -2.044   7.337   5.122
   75    HA   LEU  24           HA       LEU  24  -3.748   9.711   5.222
   76   1HB   LEU  24          1HB       LEU  24  -2.027   8.791   7.495
   77   2HB   LEU  24          2HB       LEU  24  -3.569   9.624   7.545
   78    HG   LEU  24           HG       LEU  24  -3.282   6.757   6.657
   79   1HD1  LEU  24          1HD1      LEU  24  -2.872   7.745   9.237
   80   2HD1  LEU  24          2HD1      LEU  24  -4.511   7.094   9.232
   81   3HD1  LEU  24          3HD1      LEU  24  -3.153   6.070   8.761
   82   1HD2  LEU  24          1HD2      LEU  24  -5.470   8.668   6.855
   83   2HD2  LEU  24          2HD2      LEU  24  -5.381   7.131   5.994
   84   3HD2  LEU  24          3HD2      LEU  24  -5.788   7.158   7.710
   85    H    TYR  25           H        TYR  25  -0.601   8.688   4.679
   86    HA   TYR  25           HA       TYR  25   0.413  11.441   4.678
   87   1HB   TYR  25          1HB       TYR  25   2.137   9.087   5.449
   88   2HB   TYR  25          2HB       TYR  25   2.508  10.798   5.604
   89    HD1  TYR  25           HD1      TYR  25   2.051  11.942   7.595
   90    HD2  TYR  25           HD2      TYR  25   0.320   8.110   6.947
   91    HE1  TYR  25           HE1      TYR  25   1.296  11.894   9.935
   92    HE2  TYR  25           HE2      TYR  25  -0.445   8.055   9.282
   93    HH   TYR  25           HH       TYR  25   0.246   9.124  11.469
   94    H    ASP  26           H        ASP  26   2.666  11.328   3.425
   95    HA   ASP  26           HA       ASP  26   2.116  10.723   0.778
   96   1HB   ASP  26          1HB       ASP  26   4.099  11.710   0.374
   97   2HB   ASP  26          2HB       ASP  26   4.138  12.012   2.108
   98    H    PHE  27           H        PHE  27   3.797   9.270  -0.523
   99    HA   PHE  27           HA       PHE  27   3.399   6.550   0.494
  100   1HB   PHE  27          1HB       PHE  27   3.520   5.828  -1.789
  101   2HB   PHE  27          2HB       PHE  27   2.454   7.227  -1.715
  102    HD1  PHE  27           HD1      PHE  27   3.207   9.408  -2.553
  103    HD2  PHE  27           HD2      PHE  27   5.568   5.894  -2.994
  104    HE1  PHE  27           HE1      PHE  27   4.556  10.540  -4.272
  105    HE2  PHE  27           HE2      PHE  27   6.924   7.024  -4.717
  106    HZ   PHE  27           HZ       PHE  27   6.418   9.348  -5.355
  107    H    GLU  28           H        GLU  28   5.007   4.998   0.510
  108    HA   GLU  28           HA       GLU  28   7.745   6.042   0.575
  109   1HB   GLU  28          1HB       GLU  28   6.635   3.411   1.563
  110   2HB   GLU  28          2HB       GLU  28   8.293   3.961   1.762
  111   1HG   GLU  28          1HG       GLU  28   6.502   5.951   2.747
  112   2HG   GLU  28          2HG       GLU  28   6.109   4.390   3.462
  113    H    ALA  29           H        ALA  29   5.899   4.877  -1.754
  114    HA   ALA  29           HA       ALA  29   7.392   2.670  -2.747
  115   1HB   ALA  29          1HB       ALA  29   5.865   2.577  -4.404
  116   2HB   ALA  29          2HB       ALA  29   5.915   4.316  -4.695
  117   3HB   ALA  29          3HB       ALA  29   4.973   3.673  -3.349
  118    H    LEU  30           H        LEU  30   9.508   2.954  -3.097
  119    HA   LEU  30           HA       LEU  30  10.359   5.277  -4.690
  120   1HB   LEU  30          1HB       LEU  30  12.311   3.501  -3.303
  121   2HB   LEU  30          2HB       LEU  30  12.422   5.213  -3.659
  122    HG   LEU  30           HG       LEU  30  10.502   4.150  -1.603
  123   1HD1  LEU  30          1HD1      LEU  30  13.166   3.741  -1.376
  124   2HD1  LEU  30          2HD1      LEU  30  13.015   5.348  -0.665
  125   3HD1  LEU  30          3HD1      LEU  30  12.080   4.004  -0.011
  126   1HD2  LEU  30          1HD2      LEU  30  11.425   6.791  -2.539
  127   2HD2  LEU  30          2HD2      LEU  30   9.873   6.304  -1.857
  128   3HD2  LEU  30          3HD2      LEU  30  11.249   6.603  -0.794
  129    H    GLU  31           H        GLU  31   9.824   1.951  -4.763
  130    HA   GLU  31           HA       GLU  31  11.733   1.463  -6.923
  131   1HB   GLU  31          1HB       GLU  31  10.593  -0.140  -4.898
  132   2HB   GLU  31          2HB       GLU  31   9.977  -0.757  -6.425
  133   1HG   GLU  31          1HG       GLU  31  12.055  -1.377  -7.174
  134   2HG   GLU  31          2HG       GLU  31  12.890  -0.210  -6.150
  135    H    GLU  32           H        GLU  32  10.877   0.166  -8.825
  136    HA   GLU  32           HA       GLU  32   8.673   1.648  -9.981
  137   1HB   GLU  32          1HB       GLU  32   9.261   0.271 -12.035
  138   2HB   GLU  32          2HB       GLU  32  10.509   1.360 -11.443
  139   1HG   GLU  32          1HG       GLU  32  11.086  -0.949 -10.109
  140   2HG   GLU  32          2HG       GLU  32  10.497  -1.549 -11.658
  141    H    ASP  33           H        ASP  33   9.296  -1.535  -8.716
  142    HA   ASP  33           HA       ASP  33   6.924  -2.725  -9.829
  143   1HB   ASP  33          1HB       ASP  33   9.262  -3.655  -8.514
  144   2HB   ASP  33          2HB       ASP  33   7.882  -4.174  -7.549
  145    H    GLU  34           H        GLU  34   7.265  -0.405  -7.601
  146    HA   GLU  34           HA       GLU  34   5.145  -1.422  -5.844
  147   1HB   GLU  34          1HB       GLU  34   7.095   0.853  -5.467
  148   2HB   GLU  34          2HB       GLU  34   5.800   0.465  -4.343
  149   1HG   GLU  34          1HG       GLU  34   6.799  -1.523  -3.679
  150   2HG   GLU  34          2HG       GLU  34   7.835  -1.590  -5.105
  151    H    LEU  35           H        LEU  35   3.973   0.725  -4.887
  152    HA   LEU  35           HA       LEU  35   3.081   2.379  -7.136
  153   1HB   LEU  35          1HB       LEU  35   1.384   0.779  -7.142
  154   2HB   LEU  35          2HB       LEU  35   1.419   0.592  -5.400
  155    HG   LEU  35           HG       LEU  35   0.525   3.041  -5.371
  156   1HD1  LEU  35          1HD1      LEU  35   0.445   2.354  -8.205
  157   2HD1  LEU  35          2HD1      LEU  35  -1.100   2.924  -7.569
  158   3HD1  LEU  35          3HD1      LEU  35   0.342   3.926  -7.412
  159   1HD2  LEU  35          1HD2      LEU  35  -0.611   0.679  -4.943
  160   2HD2  LEU  35          2HD2      LEU  35  -1.536   2.181  -4.948
  161   3HD2  LEU  35          3HD2      LEU  35  -1.522   1.148  -6.378
  162    H    GLY  36           H        GLY  36   2.605   4.470  -6.581
  163   1HA   GLY  36          1HA       GLY  36   3.473   6.169  -5.062
  164   2HA   GLY  36          2HA       GLY  36   2.981   5.134  -3.735
  165    H    PHE  37           H        PHE  37   1.527   6.247  -2.660
  166    HA   PHE  37           HA       PHE  37  -0.731   7.424  -4.135
  167   1HB   PHE  37          1HB       PHE  37  -1.778   7.030  -1.682
  168   2HB   PHE  37          2HB       PHE  37  -1.927   5.866  -2.994
  169    HD1  PHE  37           HD1      PHE  37  -1.725   3.719  -2.247
  170    HD2  PHE  37           HD2      PHE  37   0.745   6.724  -0.522
  171    HE1  PHE  37           HE1      PHE  37  -0.658   2.021  -0.823
  172    HE2  PHE  37           HE2      PHE  37   1.820   5.030   0.901
  173    HZ   PHE  37           HZ       PHE  37   1.116   2.675   0.754
  174    H    ARG  38           H        ARG  38  -1.979   8.894  -2.386
  175    HA   ARG  38           HA       ARG  38   0.020  10.615  -1.080
  176   1HB   ARG  38          1HB       ARG  38  -2.388  11.679  -2.553
  177   2HB   ARG  38          2HB       ARG  38  -1.044  12.595  -1.884
  178   1HG   ARG  38          1HG       ARG  38   0.309  11.032  -3.579
  179   2HG   ARG  38          2HG       ARG  38  -1.242  11.099  -4.419
  180   1HD   ARG  38          1HD       ARG  38   0.143  13.570  -3.418
  181   2HD   ARG  38          2HD       ARG  38   0.491  12.881  -5.003
  182    HE   ARG  38           HE       ARG  38  -2.158  13.108  -5.115
  183   1HH1  ARG  38          1HH1      ARG  38   0.270  15.362  -4.031
  184   2HH1  ARG  38          2HH1      ARG  38  -0.652  16.762  -4.469
  185   1HH2  ARG  38          1HH2      ARG  38  -3.378  14.947  -5.691
  186   2HH2  ARG  38          2HH2      ARG  38  -2.725  16.527  -5.409
  187    H    SER  39           H        SER  39  -1.018  12.138   0.521
  188    HA   SER  39           HA       SER  39  -2.388  10.754   2.482
  189   1HB   SER  39          1HB       SER  39  -1.349  12.703   3.229
  190   2HB   SER  39          2HB       SER  39  -2.023  13.681   1.927
  191    HG   SER  39           HG       SER  39  -3.539  12.543   4.039
  192    H    GLY  40           H        GLY  40  -4.522  10.614   3.142
  193   1HA   GLY  40          1HA       GLY  40  -6.706  11.980   2.072
  194   2HA   GLY  40          2HA       GLY  40  -6.790  10.427   2.884
  195    H    GLU  41           H        GLU  41  -5.545   8.704   1.223
  196    HA   GLU  41           HA       GLU  41  -7.273   8.806  -1.145
  197   1HB   GLU  41          1HB       GLU  41  -4.317   8.200  -1.155
  198   2HB   GLU  41          2HB       GLU  41  -5.388   7.871  -2.510
  199   1HG   GLU  41          1HG       GLU  41  -5.059  10.610  -1.326
  200   2HG   GLU  41          2HG       GLU  41  -4.039   9.996  -2.625
  201    H    VAL  42           H        VAL  42  -8.305   6.972  -1.578
  202    HA   VAL  42           HA       VAL  42  -7.730   4.639   0.083
  203    HB   VAL  42           HB       VAL  42 -10.050   4.924  -1.814
  204   1HG1  VAL  42          1HG1      VAL  42  -9.430   3.207   0.565
  205   2HG1  VAL  42          2HG1      VAL  42 -11.086   3.448   0.005
  206   3HG1  VAL  42          3HG1      VAL  42  -9.891   2.718  -1.066
  207   1HG2  VAL  42          1HG2      VAL  42  -9.725   6.827  -0.045
  208   2HG2  VAL  42          2HG2      VAL  42 -11.311   6.100  -0.292
  209   3HG2  VAL  42          3HG2      VAL  42 -10.319   5.603   1.078
  210    H    VAL  43           H        VAL  43  -7.020   2.727  -0.688
  211    HA   VAL  43           HA       VAL  43  -6.760   2.404  -3.603
  212    HB   VAL  43           HB       VAL  43  -4.642   1.689  -1.571
  213   1HG1  VAL  43          1HG1      VAL  43  -4.732   1.398  -4.567
  214   2HG1  VAL  43          2HG1      VAL  43  -3.263   1.240  -3.603
  215   3HG1  VAL  43          3HG1      VAL  43  -4.600   0.114  -3.365
  216   1HG2  VAL  43          1HG2      VAL  43  -5.205   4.176  -2.652
  217   2HG2  VAL  43          2HG2      VAL  43  -3.694   3.677  -1.893
  218   3HG2  VAL  43          3HG2      VAL  43  -3.881   3.563  -3.643
  219    H    GLU  44           H        GLU  44  -6.991   0.315  -4.397
  220    HA   GLU  44           HA       GLU  44  -8.194  -1.591  -2.528
  221   1HB   GLU  44          1HB       GLU  44  -9.286  -0.959  -4.735
  222   2HB   GLU  44          2HB       GLU  44  -7.998  -1.853  -5.528
  223   1HG   GLU  44          1HG       GLU  44  -8.822  -3.720  -3.798
  224   2HG   GLU  44          2HG       GLU  44 -10.328  -2.827  -4.009
  225    H    VAL  45           H        VAL  45  -6.821  -2.959  -1.571
  226    HA   VAL  45           HA       VAL  45  -4.274  -3.601  -2.752
  227    HB   VAL  45           HB       VAL  45  -5.555  -4.655  -0.229
  228   1HG1  VAL  45          1HG1      VAL  45  -2.993  -5.248  -1.578
  229   2HG1  VAL  45          2HG1      VAL  45  -2.936  -5.021   0.168
  230   3HG1  VAL  45          3HG1      VAL  45  -3.983  -6.259  -0.526
  231   1HG2  VAL  45          1HG2      VAL  45  -4.146  -2.201  -0.881
  232   2HG2  VAL  45          2HG2      VAL  45  -5.085  -2.622   0.551
  233   3HG2  VAL  45          3HG2      VAL  45  -3.389  -3.087   0.443
  234    H    LEU  46           H        LEU  46  -3.630  -5.466  -3.683
  235    HA   LEU  46           HA       LEU  46  -5.737  -7.355  -4.406
  236   1HB   LEU  46          1HB       LEU  46  -3.290  -6.371  -5.650
  237   2HB   LEU  46          2HB       LEU  46  -3.446  -8.115  -5.750
  238    HG   LEU  46           HG       LEU  46  -5.877  -6.632  -6.480
  239   1HD1  LEU  46          1HD1      LEU  46  -3.671  -5.404  -7.359
  240   2HD1  LEU  46          2HD1      LEU  46  -3.828  -6.640  -8.607
  241   3HD1  LEU  46          3HD1      LEU  46  -5.154  -5.515  -8.307
  242   1HD2  LEU  46          1HD2      LEU  46  -4.494  -9.115  -7.097
  243   2HD2  LEU  46          2HD2      LEU  46  -6.210  -8.720  -7.193
  244   3HD2  LEU  46          3HD2      LEU  46  -5.136  -8.314  -8.531
  245    H    ASP  47           H        ASP  47  -3.011  -7.096  -2.349
  246    HA   ASP  47           HA       ASP  47  -3.456  -9.743  -1.331
  247   1HB   ASP  47          1HB       ASP  47  -1.213  -9.194  -3.156
  248   2HB   ASP  47          2HB       ASP  47  -0.761 -10.006  -1.661
  249    H    SER  48           H        SER  48  -3.713  -9.035   0.706
  250    HA   SER  48           HA       SER  48  -1.806  -7.176   1.911
  251   1HB   SER  48          1HB       SER  48  -4.033  -8.490   3.428
  252   2HB   SER  48          2HB       SER  48  -3.357  -6.872   3.615
  253    HG   SER  48           HG       SER  48  -5.515  -7.138   2.549
  254    H    SER  49           H        SER  49  -1.688 -10.356   1.282
  255    HA   SER  49           HA       SER  49  -0.860 -11.262   3.882
  256   1HB   SER  49          1HB       SER  49  -1.750 -12.716   1.928
  257   2HB   SER  49          2HB       SER  49  -0.114 -12.596   1.281
  258    HG   SER  49           HG       SER  49   0.632 -13.493   3.265
  259    H    ASN  50           H        ASN  50   0.863 -10.535   4.759
  260    HA   ASN  50           HA       ASN  50   3.466 -10.853   4.102
  261   1HB   ASN  50          1HB       ASN  50   2.271  -8.630   2.622
  262   2HB   ASN  50          2HB       ASN  50   3.704  -8.161   3.530
  263   1HD2  ASN  50          1HD2      ASN  50   2.825  -8.841   0.606
  264   2HD2  ASN  50          2HD2      ASN  50   4.180  -9.726   0.012
  265    HA   PRO  51           HA       PRO  51   3.506  -8.839   8.035
  266   1HB   PRO  51          1HB       PRO  51   6.114  -8.754   8.582
  267   2HB   PRO  51          2HB       PRO  51   5.279 -10.295   8.344
  268   1HG   PRO  51          1HG       PRO  51   7.114  -8.833   6.516
  269   2HG   PRO  51          2HG       PRO  51   6.876 -10.577   6.713
  270   1HD   PRO  51          1HD       PRO  51   5.741  -8.909   4.718
  271   2HD   PRO  51          2HD       PRO  51   5.345 -10.608   5.042
  272    H    SER  52           H        SER  52   4.399  -6.992   5.382
  273    HA   SER  52           HA       SER  52   4.151  -4.577   6.858
  274   1HB   SER  52          1HB       SER  52   6.823  -5.646   6.549
  275   2HB   SER  52          2HB       SER  52   6.679  -4.054   5.807
  276    HG   SER  52           HG       SER  52   7.130  -3.629   7.893
  277    H    TRP  53           H        TRP  53   5.370  -6.015   3.842
  278    HA   TRP  53           HA       TRP  53   4.332  -3.652   2.420
  279   1HB   TRP  53          1HB       TRP  53   6.620  -5.489   1.931
  280   2HB   TRP  53          2HB       TRP  53   5.789  -4.839   0.523
  281    HD1  TRP  53           HD1      TRP  53   7.895  -3.715   3.530
  282    HE1  TRP  53           HE1      TRP  53   8.867  -1.386   3.014
  283    HE3  TRP  53           HE3      TRP  53   5.422  -2.758  -0.835
  284    HZ2  TRP  53           HZ2      TRP  53   8.614   0.596   1.008
  285    HZ3  TRP  53           HZ3      TRP  53   5.840  -0.626  -1.989
  286    HH2  TRP  53           HH2      TRP  53   7.402   1.015  -1.083
  287    H    TRP  54           H        TRP  54   2.373  -3.961   1.559
  288    HA   TRP  54           HA       TRP  54   1.704  -6.644   0.544
  289   1HB   TRP  54          1HB       TRP  54  -0.259  -4.433   1.175
  290   2HB   TRP  54          2HB       TRP  54  -0.618  -6.115   0.798
  291    HD1  TRP  54           HD1      TRP  54   1.843  -7.012   2.942
  292    HE1  TRP  54           HE1      TRP  54   1.122  -7.174   5.397
  293    HE3  TRP  54           HE3      TRP  54  -2.363  -4.129   2.737
  294    HZ2  TRP  54           HZ2      TRP  54  -0.939  -6.183   7.050
  295    HZ3  TRP  54           HZ3      TRP  54  -3.655  -3.778   4.803
  296    HH2  TRP  54           HH2      TRP  54  -2.956  -4.785   6.915
  297    H    THR  55           H        THR  55   0.747  -6.875  -1.488
  298    HA   THR  55           HA       THR  55   1.446  -4.779  -3.383
  299    HB   THR  55           HB       THR  55   0.343  -7.545  -3.918
  300    HG1  THR  55           HG1      THR  55   2.829  -7.442  -4.661
  301   1HG2  THR  55          1HG2      THR  55   1.601  -5.480  -5.727
  302   2HG2  THR  55          2HG2      THR  55   1.287  -7.152  -6.191
  303   3HG2  THR  55          3HG2      THR  55  -0.055  -6.082  -5.790
  304    H    GLY  56           H        GLY  56   0.020  -3.361  -4.159
  305   1HA   GLY  56          1HA       GLY  56  -2.456  -2.783  -3.390
  306   2HA   GLY  56          2HA       GLY  56  -2.782  -4.115  -4.491
  307    H    ARG  57           H        ARG  57  -4.040  -2.123  -5.431
  308    HA   ARG  57           HA       ARG  57  -2.241  -0.576  -7.162
  309   1HB   ARG  57          1HB       ARG  57  -3.835  -0.928  -9.064
  310   2HB   ARG  57          2HB       ARG  57  -2.945  -2.365  -8.565
  311   1HG   ARG  57          1HG       ARG  57  -4.808  -3.434  -7.848
  312   2HG   ARG  57          2HG       ARG  57  -5.598  -1.945  -7.324
  313   1HD   ARG  57          1HD       ARG  57  -5.816  -1.387  -9.801
  314   2HD   ARG  57          2HD       ARG  57  -5.385  -3.070 -10.102
  315    HE   ARG  57           HE       ARG  57  -7.421  -3.329  -8.386
  316   1HH1  ARG  57          1HH1      ARG  57  -7.066  -1.395 -11.265
  317   2HH1  ARG  57          2HH1      ARG  57  -8.751  -1.443 -11.659
  318   1HH2  ARG  57          1HH2      ARG  57  -9.641  -3.393  -8.898
  319   2HH2  ARG  57          2HH2      ARG  57 -10.215  -2.577 -10.314
  320    H    LEU  58           H        LEU  58  -2.725   1.492  -7.418
  321    HA   LEU  58           HA       LEU  58  -5.154   2.528  -6.140
  322   1HB   LEU  58          1HB       LEU  58  -3.042   3.450  -5.346
  323   2HB   LEU  58          2HB       LEU  58  -2.585   3.884  -6.982
  324    HG   LEU  58           HG       LEU  58  -5.093   5.065  -5.885
  325   1HD1  LEU  58          1HD1      LEU  58  -2.388   5.511  -4.795
  326   2HD1  LEU  58          2HD1      LEU  58  -3.348   6.950  -5.140
  327   3HD1  LEU  58          3HD1      LEU  58  -3.970   5.719  -4.041
  328   1HD2  LEU  58          1HD2      LEU  58  -3.417   5.423  -8.140
  329   2HD2  LEU  58          2HD2      LEU  58  -4.891   6.294  -7.722
  330   3HD2  LEU  58          3HD2      LEU  58  -3.327   6.892  -7.168
  331    H    HIS  59           H        HIS  59  -6.815   2.946  -7.441
  332    HA   HIS  59           HA       HIS  59  -8.058   3.624  -9.215
  333   1HB   HIS  59          1HB       HIS  59  -5.552   5.196  -9.566
  334   2HB   HIS  59          2HB       HIS  59  -6.666   5.127 -10.927
  335    HD1  HIS  59           HD1      HIS  59  -8.611   6.690 -10.862
  336    HD2  HIS  59           HD2      HIS  59  -6.783   6.290  -7.152
  337    HE1  HIS  59           HE1      HIS  59  -9.724   8.388  -9.378
  338    HE2  HIS  59           HE2      HIS  59  -8.556   8.175  -7.156
  339    H    ASN  60           H        ASN  60  -5.005   3.518 -11.010
  340    HA   ASN  60           HA       ASN  60  -5.816   0.991 -12.243
  341   1HB   ASN  60          1HB       ASN  60  -6.489   3.216 -13.542
  342   2HB   ASN  60          2HB       ASN  60  -4.816   3.118 -14.080
  343   1HD2  ASN  60          1HD2      ASN  60  -6.243   2.960 -16.111
  344   2HD2  ASN  60          2HD2      ASN  60  -6.575   1.353 -16.656
  345    H    LYS  61           H        LYS  61  -3.557   2.431 -10.570
  346    HA   LYS  61           HA       LYS  61  -1.286   1.381 -12.115
  347   1HB   LYS  61          1HB       LYS  61  -1.168   3.199  -9.705
  348   2HB   LYS  61          2HB       LYS  61   0.133   2.824 -10.825
  349   1HG   LYS  61          1HG       LYS  61  -1.003   4.025 -12.595
  350   2HG   LYS  61          2HG       LYS  61  -2.371   4.341 -11.527
  351   1HD   LYS  61          1HD       LYS  61  -1.288   6.295 -11.183
  352   2HD   LYS  61          2HD       LYS  61  -0.372   5.331 -10.024
  353   1HE   LYS  61          1HE       LYS  61   1.505   5.622 -11.178
  354   2HE   LYS  61          2HE       LYS  61   0.739   5.042 -12.657
  355   1HZ   LYS  61          1HZ       LYS  61   0.183   7.777 -11.746
  356   2HZ   LYS  61          2HZ       LYS  61   1.660   7.457 -12.508
  357   3HZ   LYS  61          3HZ       LYS  61   0.205   7.152 -13.317
  358    H    LEU  62           H        LEU  62  -0.334  -0.446 -11.426
  359    HA   LEU  62           HA       LEU  62  -1.123  -1.475  -8.793
  360   1HB   LEU  62          1HB       LEU  62   0.316  -3.393 -10.368
  361   2HB   LEU  62          2HB       LEU  62  -1.321  -3.471  -9.749
  362    HG   LEU  62           HG       LEU  62  -1.627  -1.803 -11.897
  363   1HD1  LEU  62          1HD1      LEU  62   0.886  -2.677 -12.306
  364   2HD1  LEU  62          2HD1      LEU  62  -0.024  -3.947 -13.125
  365   3HD1  LEU  62          3HD1      LEU  62  -0.233  -2.263 -13.606
  366   1HD2  LEU  62          1HD2      LEU  62  -2.420  -4.379 -11.075
  367   2HD2  LEU  62          2HD2      LEU  62  -3.172  -3.345 -12.289
  368   3HD2  LEU  62          3HD2      LEU  62  -1.933  -4.507 -12.764
  369    H    GLY  63           H        GLY  63   0.365  -2.243  -7.313
  370   1HA   GLY  63          1HA       GLY  63   2.934  -0.958  -7.386
  371   2HA   GLY  63          2HA       GLY  63   3.033  -2.701  -7.574
  372    H    LEU  64           H        LEU  64   4.270  -2.673  -5.603
  373    HA   LEU  64           HA       LEU  64   2.725  -3.354  -3.336
  374   1HB   LEU  64          1HB       LEU  64   5.552  -2.633  -2.899
  375   2HB   LEU  64          2HB       LEU  64   4.675  -4.078  -2.435
  376    HG   LEU  64           HG       LEU  64   5.573  -3.544  -5.261
  377   1HD1  LEU  64          1HD1      LEU  64   6.991  -4.830  -2.966
  378   2HD1  LEU  64          2HD1      LEU  64   7.300  -5.348  -4.622
  379   3HD1  LEU  64          3HD1      LEU  64   7.603  -3.676  -4.151
  380   1HD2  LEU  64          1HD2      LEU  64   3.685  -5.224  -4.577
  381   2HD2  LEU  64          2HD2      LEU  64   4.918  -5.693  -5.748
  382   3HD2  LEU  64          3HD2      LEU  64   5.046  -6.227  -4.071
  383    H    PHE  65           H        PHE  65   3.053  -2.363  -1.137
  384    HA   PHE  65           HA       PHE  65   3.675   0.464  -1.076
  385   1HB   PHE  65          1HB       PHE  65   1.562   1.308  -0.573
  386   2HB   PHE  65          2HB       PHE  65   1.195   0.118  -1.821
  387    HD1  PHE  65           HD1      PHE  65  -0.052  -1.871  -1.294
  388    HD2  PHE  65           HD2      PHE  65   1.024   0.893   1.749
  389    HE1  PHE  65           HE1      PHE  65  -1.603  -2.980   0.255
  390    HE2  PHE  65           HE2      PHE  65  -0.514  -0.199   3.305
  391    HZ   PHE  65           HZ       PHE  65  -1.840  -2.148   2.565
  392    HA   PRO  66           HA       PRO  66   4.596  -0.523   3.159
  393   1HB   PRO  66          1HB       PRO  66   4.467   1.829   4.377
  394   2HB   PRO  66          2HB       PRO  66   5.622   1.579   3.059
  395   1HG   PRO  66          1HG       PRO  66   2.907   2.856   2.965
  396   2HG   PRO  66          2HG       PRO  66   4.433   3.469   2.321
  397   1HD   PRO  66          1HD       PRO  66   2.619   2.175   0.774
  398   2HD   PRO  66          2HD       PRO  66   4.363   2.095   0.481
  399    H    ALA  67           H        ALA  67   3.030  -1.848   4.053
  400    HA   ALA  67           HA       ALA  67   0.384  -1.021   4.627
  401   1HB   ALA  67          1HB       ALA  67   1.987  -3.422   4.987
  402   2HB   ALA  67          2HB       ALA  67   0.268  -3.248   4.633
  403   3HB   ALA  67          3HB       ALA  67   0.840  -3.156   6.299
  404    H    ASN  68           H        ASN  68   3.262  -0.216   6.117
  405    HA   ASN  68           HA       ASN  68   2.124   0.014   8.792
  406   1HB   ASN  68          1HB       ASN  68   4.244  -0.386   9.380
  407   2HB   ASN  68          2HB       ASN  68   4.780  -0.228   7.713
  408   1HD2  ASN  68          1HD2      ASN  68   5.113   2.014   6.940
  409   2HD2  ASN  68          2HD2      ASN  68   5.774   3.162   8.047
  410    H    TYR  69           H        TYR  69   2.928   1.992   6.033
  411    HA   TYR  69           HA       TYR  69   2.667   4.467   7.493
  412   1HB   TYR  69          1HB       TYR  69   3.778   3.715   5.017
  413   2HB   TYR  69          2HB       TYR  69   2.461   4.822   4.644
  414    HD1  TYR  69           HD1      TYR  69   5.835   4.530   5.789
  415    HD2  TYR  69           HD2      TYR  69   2.433   7.082   5.845
  416    HE1  TYR  69           HE1      TYR  69   7.276   6.430   6.385
  417    HE2  TYR  69           HE2      TYR  69   3.866   8.990   6.440
  418    HH   TYR  69           HH       TYR  69   6.491   9.513   6.053
  419    H    VAL  70           H        VAL  70   0.678   2.505   5.334
  420    HA   VAL  70           HA       VAL  70  -1.570   4.316   5.959
  421    HB   VAL  70           HB       VAL  70  -2.399   4.228   3.831
  422   1HG1  VAL  70          1HG1      VAL  70   0.061   5.065   3.954
  423   2HG1  VAL  70          2HG1      VAL  70   0.402   3.633   2.984
  424   3HG1  VAL  70          3HG1      VAL  70  -0.717   4.857   2.384
  425   1HG2  VAL  70          1HG2      VAL  70  -1.018   1.573   3.552
  426   2HG2  VAL  70          2HG2      VAL  70  -2.748   1.918   3.536
  427   3HG2  VAL  70          3HG2      VAL  70  -1.737   2.416   2.179
  428    H    ALA  71           H        ALA  71  -3.639   3.362   6.229
  429    HA   ALA  71           HA       ALA  71  -3.531   0.503   6.956
  430   1HB   ALA  71          1HB       ALA  71  -5.193   2.703   8.174
  431   2HB   ALA  71          2HB       ALA  71  -3.798   1.913   8.906
  432   3HB   ALA  71          3HB       ALA  71  -5.278   0.999   8.617
  433    HA   PRO  72           HA       PRO  72  -6.641  -0.496   4.017
  434   1HB   PRO  72          1HB       PRO  72  -8.000  -2.038   6.155
  435   2HB   PRO  72          2HB       PRO  72  -7.446  -2.564   4.561
  436   1HG   PRO  72          1HG       PRO  72  -6.113  -3.260   6.739
  437   2HG   PRO  72          2HG       PRO  72  -5.247  -2.805   5.261
  438   1HD   PRO  72          1HD       PRO  72  -5.706  -1.204   7.753
  439   2HD   PRO  72          2HD       PRO  72  -4.251  -1.317   6.741
  440    H    MET  73           H        MET  73  -9.091  -0.799   3.854
  441    HA   MET  73           HA       MET  73 -10.651   0.961   5.543
  442   1HB   MET  73          1HB       MET  73  -9.431   2.224   3.566
  443   2HB   MET  73          2HB       MET  73 -10.737   1.536   2.613
  444   1HG   MET  73          1HG       MET  73 -12.223   2.558   4.532
  445   2HG   MET  73          2HG       MET  73 -10.823   3.609   4.739
  446   1HE   MET  73          1HE       MET  73 -12.812   1.874   2.062
  447   2HE   MET  73          2HE       MET  73 -14.083   3.068   2.328
  448   3HE   MET  73          3HE       MET  73 -13.148   3.094   0.835
  449    H    MET  74           H        MET  74 -12.084  -0.655   6.013
  450    HA   MET  74           HA       MET  74 -13.023  -2.514   4.078
  451   1HB   MET  74          1HB       MET  74 -12.945  -2.711   6.667
  452   2HB   MET  74          2HB       MET  74 -14.497  -1.887   6.616
  453   1HG   MET  74          1HG       MET  74 -15.119  -3.747   4.909
  454   2HG   MET  74          2HG       MET  74 -13.761  -4.603   5.633
  455   1HE   MET  74          1HE       MET  74 -17.146  -4.600   5.392
  456   2HE   MET  74          2HE       MET  74 -17.903  -4.801   6.973
  457   3HE   MET  74          3HE       MET  74 -17.492  -3.188   6.391
  458    H    ARG  75           H        ARG  75 -14.151  -1.824   2.381
  459    HA   ARG  75           HA       ARG  75 -15.870   0.445   2.432
  460   1HB   ARG  75          1HB       ARG  75 -15.496  -1.766   0.410
  461   2HB   ARG  75          2HB       ARG  75 -16.561  -0.391   0.153
  462   1HG   ARG  75          1HG       ARG  75 -14.478   1.041   0.625
  463   2HG   ARG  75          2HG       ARG  75 -13.578  -0.448   0.334
  464   1HD   ARG  75          1HD       ARG  75 -13.609   0.356  -1.791
  465   2HD   ARG  75          2HD       ARG  75 -15.141  -0.516  -1.811
  466    HE   ARG  75           HE       ARG  75 -14.797   2.390  -1.628
  467   1HH1  ARG  75          1HH1      ARG  75 -16.881  -0.387  -1.936
  468   2HH1  ARG  75          2HH1      ARG  75 -18.264   0.543  -2.409
  469   1HH2  ARG  75          1HH2      ARG  75 -16.613   3.620  -2.251
  470   2HH2  ARG  75          2HH2      ARG  75 -18.112   2.819  -2.588
  471    H1   ALA  76           H1       ALA  76   6.446   8.064  13.891
  472    H2   ALA  76           H2       ALA  76   6.068   9.692  13.626
  473    H3   ALA  76           H3       ALA  76   4.843   8.526  13.610
  474    HA   ALA  76           HA       ALA  76   5.145   8.859  11.386
  475   1HB   ALA  76          1HB       ALA  76   7.624   9.914  12.242
  476   2HB   ALA  76          2HB       ALA  76   7.963   8.717  10.992
  477   3HB   ALA  76          3HB       ALA  76   6.866  10.055  10.656
  478    HA   PRO  77           HA       PRO  77   5.322   4.359  11.329
  479   1HB   PRO  77          1HB       PRO  77   4.539   4.931   8.512
  480   2HB   PRO  77          2HB       PRO  77   3.819   3.811   9.674
  481   1HG   PRO  77          1HG       PRO  77   2.621   6.113   9.094
  482   2HG   PRO  77          2HG       PRO  77   2.631   5.489  10.753
  483   1HD   PRO  77          1HD       PRO  77   4.243   7.693   9.545
  484   2HD   PRO  77          2HD       PRO  77   3.555   7.560  11.177
  485    H    SER  78           H        SER  78   7.038   3.126  10.923
  486    HA   SER  78           HA       SER  78   8.948   4.014   8.867
  487   1HB   SER  78          1HB       SER  78   9.698   3.939  11.306
  488   2HB   SER  78          2HB       SER  78   9.586   2.183  11.183
  489    HG   SER  78           HG       SER  78  11.265   2.150   9.835
  490    H    ILE  79           H        ILE  79   8.928   2.876   7.082
  491    HA   ILE  79           HA       ILE  79   8.256   0.017   7.244
  492    HB   ILE  79           HB       ILE  79   7.169   2.097   5.596
  493   1HG1  ILE  79          1HG1      ILE  79   6.105   0.140   6.872
  494   2HG1  ILE  79          2HG1      ILE  79   5.429   0.569   5.309
  495   1HG2  ILE  79          1HG2      ILE  79   8.991   1.360   4.028
  496   2HG2  ILE  79          2HG2      ILE  79   8.200  -0.215   3.969
  497   3HG2  ILE  79          3HG2      ILE  79   7.348   1.221   3.403
  498   1HD1  ILE  79          1HD1      ILE  79   7.303  -1.331   4.664
  499   2HD1  ILE  79          2HD1      ILE  79   6.659  -1.904   6.201
  500   3HD1  ILE  79          3HD1      ILE  79   5.571  -1.603   4.846
  501    H    ASP  80           H        ASP  80   9.597  -1.448   6.383
  502    HA   ASP  80           HA       ASP  80  12.069  -0.451   5.130
  503   1HB   ASP  80          1HB       ASP  80  11.710  -2.109   7.378
  504   2HB   ASP  80          2HB       ASP  80  12.287  -3.163   6.092
  505    H    ARG  81           H        ARG  81  12.421  -0.991   3.080
  506    HA   ARG  81           HA       ARG  81  10.580  -2.636   1.649
  507   1HB   ARG  81          1HB       ARG  81  13.235  -1.502   0.753
  508   2HB   ARG  81          2HB       ARG  81  11.986  -2.158  -0.298
  509   1HG   ARG  81          1HG       ARG  81  10.498  -0.330   0.853
  510   2HG   ARG  81          2HG       ARG  81  12.060   0.422   1.181
  511   1HD   ARG  81          1HD       ARG  81  10.807  -0.222  -1.469
  512   2HD   ARG  81          2HD       ARG  81  11.355   1.340  -0.863
  513    HE   ARG  81           HE       ARG  81  12.920  -0.611  -2.224
  514   1HH1  ARG  81          1HH1      ARG  81  13.064   1.864   0.226
  515   2HH1  ARG  81          2HH1      ARG  81  14.752   2.173  -0.006
  516   1HH2  ARG  81          1HH2      ARG  81  15.140  -0.207  -2.538
  517   2HH2  ARG  81          2HH2      ARG  81  15.932   0.998  -1.578
  518    H    SER  82           H        SER  82  13.135  -3.418   3.601
  519    HA   SER  82           HA       SER  82  14.309  -5.551   2.114
  520   1HB   SER  82          1HB       SER  82  14.374  -4.783   5.031
  521   2HB   SER  82          2HB       SER  82  15.203  -6.213   4.416
  522    HG   SER  82           HG       SER  82  15.666  -3.879   3.014
  523    H    THR  83           H        THR  83  11.277  -5.268   3.350
  524    HA   THR  83           HA       THR  83  11.040  -8.184   3.699
  525    HB   THR  83           HB       THR  83  10.782  -7.109   5.879
  526    HG1  THR  83           HG1      THR  83   8.188  -7.694   5.698
  527   1HG2  THR  83          1HG2      THR  83   8.677  -5.499   4.452
  528   2HG2  THR  83          2HG2      THR  83   8.698  -5.680   6.207
  529   3HG2  THR  83          3HG2      THR  83  10.059  -4.918   5.382
  530    H    LYS  84           H        LYS  84  10.653  -6.411   1.353
  531    HA   LYS  84           HA       LYS  84   7.954  -5.980   0.781
  532   1HB   LYS  84          1HB       LYS  84  10.489  -6.060  -0.673
  533   2HB   LYS  84          2HB       LYS  84   9.118  -6.553  -1.653
  534   1HG   LYS  84          1HG       LYS  84   8.251  -4.479  -1.719
  535   2HG   LYS  84          2HG       LYS  84   8.708  -4.123  -0.053
  536   1HD   LYS  84          1HD       LYS  84  10.080  -2.691  -1.233
  537   2HD   LYS  84          2HD       LYS  84  11.128  -4.094  -1.015
  538   1HE   LYS  84          1HE       LYS  84   9.410  -3.960  -3.442
  539   2HE   LYS  84          2HE       LYS  84  10.844  -2.937  -3.370
  540   1HZ   LYS  84          1HZ       LYS  84  11.071  -5.799  -2.731
  541   2HZ   LYS  84          2HZ       LYS  84  11.003  -5.313  -4.349
  542   3HZ   LYS  84          3HZ       LYS  84  12.239  -4.742  -3.348
  543    HA   PRO  85           HA       PRO  85   5.857  -9.758  -0.116
  544   1HB   PRO  85          1HB       PRO  85   5.851  -8.908  -2.988
  545   2HB   PRO  85          2HB       PRO  85   4.529  -9.554  -2.007
  546   1HG   PRO  85          1HG       PRO  85   4.678  -6.949  -2.488
  547   2HG   PRO  85          2HG       PRO  85   4.204  -7.542  -0.886
  548   1HD   PRO  85          1HD       PRO  85   6.765  -6.323  -1.771
  549   2HD   PRO  85          2HD       PRO  85   5.970  -6.254  -0.188
  550    H    ALA  86           H        ALA  86   6.722 -11.720  -0.234
  551    HA   ALA  86           HA       ALA  86   8.822 -12.222  -2.239
  552   1HB   ALA  86          1HB       ALA  86   9.508 -14.033  -0.463
  553   2HB   ALA  86          2HB       ALA  86  10.035 -12.358  -0.296
  554   3HB   ALA  86          3HB       ALA  86   8.668 -12.949   0.647

  No H/Q in entry =         554
  Start of MODEL    8
    1    H1   GLY  16           H1       GLY  16 -15.872  -6.347   4.322
    2    H2   GLY  16           H2       GLY  16 -16.687  -7.721   4.875
    3    H3   GLY  16           H3       GLY  16 -16.626  -6.332   5.837
    4   1HA   GLY  16          1HA       GLY  16 -14.994  -8.418   6.146
    5   2HA   GLY  16          2HA       GLY  16 -14.598  -6.779   6.636
    6    H    ARG  17           H        ARG  17 -12.878  -8.986   5.772
    7    HA   ARG  17           HA       ARG  17 -10.990  -9.304   4.571
    8   1HB   ARG  17          1HB       ARG  17 -12.836  -8.191   2.492
    9   2HB   ARG  17          2HB       ARG  17 -11.153  -8.525   2.096
   10   1HG   ARG  17          1HG       ARG  17 -11.635 -10.659   1.806
   11   2HG   ARG  17          2HG       ARG  17 -12.173 -10.759   3.486
   12   1HD   ARG  17          1HD       ARG  17 -14.340  -9.627   2.478
   13   2HD   ARG  17          2HD       ARG  17 -13.757 -10.383   0.996
   14    HE   ARG  17           HE       ARG  17 -14.363 -11.868   3.471
   15   1HH1  ARG  17          1HH1      ARG  17 -14.260 -11.607  -0.001
   16   2HH1  ARG  17          2HH1      ARG  17 -14.953 -13.171  -0.269
   17   1HH2  ARG  17          1HH2      ARG  17 -15.274 -13.930   3.130
   18   2HH2  ARG  17          2HH2      ARG  17 -15.530 -14.492   1.512
   19    H    VAL  18           H        VAL  18  -9.617  -8.065   5.683
   20    HA   VAL  18           HA       VAL  18  -9.411  -5.223   5.261
   21    HB   VAL  18           HB       VAL  18  -7.394  -6.935   6.701
   22   1HG1  VAL  18          1HG1      VAL  18  -6.786  -4.603   6.267
   23   2HG1  VAL  18          2HG1      VAL  18  -8.261  -4.071   7.074
   24   3HG1  VAL  18          3HG1      VAL  18  -7.006  -4.907   7.989
   25   1HG2  VAL  18          1HG2      VAL  18 -10.175  -6.397   7.400
   26   2HG2  VAL  18          2HG2      VAL  18  -9.047  -7.577   8.066
   27   3HG2  VAL  18          3HG2      VAL  18  -9.031  -5.913   8.652
   28    H    ARG  19           H        ARG  19  -9.030  -5.302   2.946
   29    HA   ARG  19           HA       ARG  19  -6.174  -5.595   2.359
   30   1HB   ARG  19          1HB       ARG  19  -6.899  -6.447   0.045
   31   2HB   ARG  19          2HB       ARG  19  -6.956  -7.578   1.390
   32   1HG   ARG  19          1HG       ARG  19  -9.434  -6.795   1.581
   33   2HG   ARG  19          2HG       ARG  19  -9.196  -6.282  -0.090
   34   1HD   ARG  19          1HD       ARG  19  -9.482  -8.964   1.033
   35   2HD   ARG  19          2HD       ARG  19  -9.788  -8.381  -0.602
   36    HE   ARG  19           HE       ARG  19  -7.135  -9.163   0.422
   37   1HH1  ARG  19          1HH1      ARG  19  -9.433  -8.803  -2.174
   38   2HH1  ARG  19          2HH1      ARG  19  -8.395  -9.518  -3.362
   39   1HH2  ARG  19          1HH2      ARG  19  -5.764 -10.104  -1.135
   40   2HH2  ARG  19          2HH2      ARG  19  -6.310 -10.258  -2.771
   41    H    TRP  20           H        TRP  20  -6.763  -3.217   2.887
   42    HA   TRP  20           HA       TRP  20  -7.031  -1.830   0.339
   43   1HB   TRP  20          1HB       TRP  20  -8.668  -1.209   2.806
   44   2HB   TRP  20          2HB       TRP  20  -8.540  -0.137   1.412
   45    HD1  TRP  20           HD1      TRP  20 -10.038  -3.484   2.486
   46    HE1  TRP  20           HE1      TRP  20 -11.790  -4.198   0.728
   47    HE3  TRP  20           HE3      TRP  20  -9.220   0.159  -1.001
   48    HZ2  TRP  20           HZ2      TRP  20 -12.690  -3.317  -1.810
   49    HZ3  TRP  20           HZ3      TRP  20 -10.566   0.159  -3.058
   50    HH2  TRP  20           HH2      TRP  20 -12.269  -1.545  -3.452
   51    H    ALA  21           H        ALA  21  -6.157   0.369   0.409
   52    HA   ALA  21           HA       ALA  21  -4.381   0.823   2.697
   53   1HB   ALA  21          3HB       ALA  21  -2.521   0.943   1.434
   54   2HB   ALA  21          2HB       ALA  21  -3.367   1.678   0.072
   55   3HB   ALA  21          1HB       ALA  21  -3.447  -0.066   0.323
   56    H    ARG  22           H        ARG  22  -5.298   2.569   3.613
   57    HA   ARG  22           HA       ARG  22  -6.038   4.793   1.848
   58   1HB   ARG  22          1HB       ARG  22  -7.930   4.320   3.136
   59   2HB   ARG  22          2HB       ARG  22  -6.987   3.993   4.586
   60   1HG   ARG  22          1HG       ARG  22  -6.379   6.507   4.462
   61   2HG   ARG  22          2HG       ARG  22  -7.774   6.616   3.386
   62   1HD   ARG  22          1HD       ARG  22  -9.264   5.935   5.057
   63   2HD   ARG  22          2HD       ARG  22  -7.973   5.285   6.066
   64    HE   ARG  22           HE       ARG  22  -7.364   7.533   6.635
   65   1HH1  ARG  22          1HH1      ARG  22 -10.362   7.213   4.886
   66   2HH1  ARG  22          2HH1      ARG  22 -10.974   8.750   5.400
   67   1HH2  ARG  22          1HH2      ARG  22  -8.163   9.555   7.317
   68   2HH2  ARG  22          2HH2      ARG  22  -9.724  10.080   6.782
   69    H    ALA  23           H        ALA  23  -4.446   6.117   1.590
   70    HA   ALA  23           HA       ALA  23  -2.303   6.366   3.464
   71   1HB   ALA  23          1HB       ALA  23  -2.940   7.718   0.864
   72   2HB   ALA  23          2HB       ALA  23  -1.535   8.156   1.838
   73   3HB   ALA  23          3HB       ALA  23  -1.695   6.516   1.206
   74    H    LEU  24           H        LEU  24  -1.894   7.861   4.925
   75    HA   LEU  24           HA       LEU  24  -3.803  10.084   5.249
   76   1HB   LEU  24          1HB       LEU  24  -1.982   9.288   7.463
   77   2HB   LEU  24          2HB       LEU  24  -3.619   9.911   7.535
   78    HG   LEU  24           HG       LEU  24  -3.099   7.135   6.531
   79   1HD1  LEU  24          1HD1      LEU  24  -2.980   8.127   9.331
   80   2HD1  LEU  24          2HD1      LEU  24  -3.763   6.580   9.016
   81   3HD1  LEU  24          3HD1      LEU  24  -2.081   6.826   8.552
   82   1HD2  LEU  24          1HD2      LEU  24  -5.361   8.714   6.763
   83   2HD2  LEU  24          2HD2      LEU  24  -5.318   6.966   6.532
   84   3HD2  LEU  24          3HD2      LEU  24  -5.442   7.638   8.157
   85    H    TYR  25           H        TYR  25  -0.684   9.080   4.570
   86    HA   TYR  25           HA       TYR  25   0.315  11.830   4.462
   87   1HB   TYR  25          1HB       TYR  25   2.215   9.639   5.209
   88   2HB   TYR  25          2HB       TYR  25   2.319  11.362   5.539
   89    HD1  TYR  25           HD1      TYR  25   1.563   8.173   6.894
   90    HD2  TYR  25           HD2      TYR  25   0.607  12.307   7.256
   91    HE1  TYR  25           HE1      TYR  25   0.754   7.781   9.184
   92    HE2  TYR  25           HE2      TYR  25  -0.209  11.923   9.544
   93    HH   TYR  25           HH       TYR  25  -0.503   8.693  10.874
   94    H    ASP  26           H        ASP  26   2.557  11.656   3.157
   95    HA   ASP  26           HA       ASP  26   1.942  10.941   0.559
   96   1HB   ASP  26          1HB       ASP  26   3.979  11.774   0.035
   97   2HB   ASP  26          2HB       ASP  26   3.990  12.276   1.722
   98    H    PHE  27           H        PHE  27   3.640   9.396  -0.690
   99    HA   PHE  27           HA       PHE  27   3.104   6.730   0.405
  100   1HB   PHE  27          1HB       PHE  27   3.276   5.926  -1.849
  101   2HB   PHE  27          2HB       PHE  27   2.255   7.361  -1.853
  102    HD1  PHE  27           HD1      PHE  27   5.418   5.919  -2.913
  103    HD2  PHE  27           HD2      PHE  27   3.046   9.451  -2.817
  104    HE1  PHE  27           HE1      PHE  27   6.861   6.937  -4.635
  105    HE2  PHE  27           HE2      PHE  27   4.481  10.472  -4.534
  106    HZ   PHE  27           HZ       PHE  27   6.392   9.214  -5.446
  107    H    GLU  28           H        GLU  28   4.639   5.111   0.521
  108    HA   GLU  28           HA       GLU  28   7.405   6.038   0.731
  109   1HB   GLU  28          1HB       GLU  28   6.159   3.428   1.597
  110   2HB   GLU  28          2HB       GLU  28   7.801   3.954   1.945
  111   1HG   GLU  28          1HG       GLU  28   6.000   5.974   2.799
  112   2HG   GLU  28          2HG       GLU  28   5.449   4.421   3.426
  113    H    ALA  29           H        ALA  29   5.729   5.006  -1.764
  114    HA   ALA  29           HA       ALA  29   7.177   2.725  -2.656
  115   1HB   ALA  29          2HB       ALA  29   5.509   2.696  -4.116
  116   2HB   ALA  29          3HB       ALA  29   5.012   4.312  -3.618
  117   3HB   ALA  29          1HB       ALA  29   6.195   4.114  -4.909
  118    H    LEU  30           H        LEU  30   9.326   2.871  -2.803
  119    HA   LEU  30           HA       LEU  30  10.489   5.182  -4.200
  120   1HB   LEU  30          1HB       LEU  30  12.070   3.158  -2.649
  121   2HB   LEU  30          2HB       LEU  30  12.494   4.813  -3.044
  122    HG   LEU  30           HG       LEU  30  10.197   4.228  -1.205
  123   1HD1  LEU  30          1HD1      LEU  30  12.289   3.042  -0.438
  124   2HD1  LEU  30          2HD1      LEU  30  13.028   4.636  -0.278
  125   3HD1  LEU  30          3HD1      LEU  30  11.611   4.219   0.687
  126   1HD2  LEU  30          1HD2      LEU  30  12.013   6.564  -1.725
  127   2HD2  LEU  30          2HD2      LEU  30  10.259   6.477  -1.888
  128   3HD2  LEU  30          3HD2      LEU  30  10.998   6.456  -0.287
  129    H    GLU  31           H        GLU  31   9.671   1.953  -4.606
  130    HA   GLU  31           HA       GLU  31  11.733   1.532  -6.659
  131   1HB   GLU  31          1HB       GLU  31  10.569  -0.184  -4.722
  132   2HB   GLU  31          2HB       GLU  31  10.074  -0.770  -6.305
  133   1HG   GLU  31          1HG       GLU  31  12.925  -0.074  -5.990
  134   2HG   GLU  31          2HG       GLU  31  12.351  -1.492  -5.114
  135    H    GLU  32           H        GLU  32  10.805   0.051  -8.520
  136    HA   GLU  32           HA       GLU  32   8.672   1.611  -9.734
  137   1HB   GLU  32          1HB       GLU  32   9.285   0.493 -11.805
  138   2HB   GLU  32          2HB       GLU  32  10.719   1.138 -11.017
  139   1HG   GLU  32          1HG       GLU  32  10.692  -1.360 -10.004
  140   2HG   GLU  32          2HG       GLU  32   9.954  -1.642 -11.580
  141    H    ASP  33           H        ASP  33   9.266  -1.637  -8.559
  142    HA   ASP  33           HA       ASP  33   6.861  -2.756  -9.650
  143   1HB   ASP  33          1HB       ASP  33   9.177  -3.802  -8.572
  144   2HB   ASP  33          2HB       ASP  33   7.978  -4.131  -7.321
  145    H    GLU  34           H        GLU  34   7.145  -0.432  -7.473
  146    HA   GLU  34           HA       GLU  34   5.072  -1.479  -5.676
  147   1HB   GLU  34          1HB       GLU  34   6.869   0.924  -5.307
  148   2HB   GLU  34          2HB       GLU  34   5.717   0.302  -4.132
  149   1HG   GLU  34          1HG       GLU  34   6.984  -1.654  -3.775
  150   2HG   GLU  34          2HG       GLU  34   7.995  -1.344  -5.186
  151    H    LEU  35           H        LEU  35   3.979   0.814  -4.733
  152    HA   LEU  35           HA       LEU  35   3.006   2.326  -7.036
  153   1HB   LEU  35          1HB       LEU  35   1.267   0.850  -7.051
  154   2HB   LEU  35          2HB       LEU  35   1.448   0.449  -5.355
  155    HG   LEU  35           HG       LEU  35   0.496   2.818  -4.917
  156   1HD1  LEU  35          1HD1      LEU  35   0.700   3.188  -7.531
  157   2HD1  LEU  35          2HD1      LEU  35  -0.913   2.476  -7.505
  158   3HD1  LEU  35          3HD1      LEU  35  -0.579   3.939  -6.578
  159   1HD2  LEU  35          1HD2      LEU  35  -0.750   0.263  -5.476
  160   2HD2  LEU  35          2HD2      LEU  35  -1.084   1.426  -4.193
  161   3HD2  LEU  35          3HD2      LEU  35  -1.845   1.613  -5.771
  162    H    GLY  36           H        GLY  36   2.472   4.423  -6.566
  163   1HA   GLY  36          1HA       GLY  36   3.332   6.202  -5.126
  164   2HA   GLY  36          2HA       GLY  36   2.863   5.217  -3.753
  165    H    PHE  37           H        PHE  37   1.338   6.252  -2.706
  166    HA   PHE  37           HA       PHE  37  -0.937   7.355  -4.222
  167   1HB   PHE  37          1HB       PHE  37  -1.912   7.064  -1.706
  168   2HB   PHE  37          2HB       PHE  37  -2.109   5.861  -2.975
  169    HD1  PHE  37           HD1      PHE  37  -1.600   3.693  -2.428
  170    HD2  PHE  37           HD2      PHE  37   0.388   6.850  -0.385
  171    HE1  PHE  37           HE1      PHE  37  -0.456   2.046  -1.003
  172    HE2  PHE  37           HE2      PHE  37   1.540   5.210   1.041
  173    HZ   PHE  37           HZ       PHE  37   1.117   2.804   0.735
  174    H    ARG  38           H        ARG  38  -2.195   8.898  -2.549
  175    HA   ARG  38           HA       ARG  38  -0.215  10.704  -1.330
  176   1HB   ARG  38          1HB       ARG  38  -2.647  11.745  -2.762
  177   2HB   ARG  38          2HB       ARG  38  -1.210  12.624  -2.259
  178   1HG   ARG  38          1HG       ARG  38  -0.023  10.988  -3.942
  179   2HG   ARG  38          2HG       ARG  38  -1.644  10.899  -4.636
  180   1HD   ARG  38          1HD       ARG  38  -0.261  13.504  -4.045
  181   2HD   ARG  38          2HD       ARG  38  -0.103  12.670  -5.591
  182    HE   ARG  38           HE       ARG  38  -2.831  12.977  -4.938
  183   1HH1  ARG  38          1HH1      ARG  38  -0.066  14.823  -5.991
  184   2HH1  ARG  38          2HH1      ARG  38  -1.018  16.020  -6.805
  185   1HH2  ARG  38          1HH2      ARG  38  -4.085  14.546  -6.008
  186   2HH2  ARG  38          2HH2      ARG  38  -3.301  15.864  -6.814
  187    H    SER  39           H        SER  39  -1.186  12.198   0.281
  188    HA   SER  39           HA       SER  39  -2.528  10.911   2.285
  189   1HB   SER  39          1HB       SER  39  -2.772  12.990   3.357
  190   2HB   SER  39          2HB       SER  39  -1.373  13.217   2.308
  191    HG   SER  39           HG       SER  39  -4.040  14.057   1.822
  192    H    GLY  40           H        GLY  40  -4.625  10.746   3.008
  193   1HA   GLY  40          1HA       GLY  40  -6.891  11.973   1.965
  194   2HA   GLY  40          2HA       GLY  40  -6.886  10.437   2.815
  195    H    GLU  41           H        GLU  41  -5.892   8.600   1.312
  196    HA   GLU  41           HA       GLU  41  -7.546   8.663  -1.100
  197   1HB   GLU  41          1HB       GLU  41  -4.591   8.155  -0.997
  198   2HB   GLU  41          2HB       GLU  41  -5.576   7.410  -2.248
  199   1HG   GLU  41          1HG       GLU  41  -6.349  10.058  -2.300
  200   2HG   GLU  41          2HG       GLU  41  -4.612  10.130  -2.013
  201    H    VAL  42           H        VAL  42  -7.891   6.507  -2.043
  202    HA   VAL  42           HA       VAL  42  -7.712   4.386  -0.001
  203    HB   VAL  42           HB       VAL  42  -9.925   4.492  -2.031
  204   1HG1  VAL  42          1HG1      VAL  42  -9.126   2.719   0.057
  205   2HG1  VAL  42          2HG1      VAL  42 -10.706   3.395   0.450
  206   3HG1  VAL  42          3HG1      VAL  42 -10.461   2.559  -1.083
  207   1HG2  VAL  42          1HG2      VAL  42  -9.656   6.065   0.476
  208   2HG2  VAL  42          2HG2      VAL  42 -10.467   6.474  -1.036
  209   3HG2  VAL  42          3HG2      VAL  42 -11.230   5.363   0.102
  210    H    VAL  43           H        VAL  43  -6.943   2.444  -0.638
  211    HA   VAL  43           HA       VAL  43  -6.519   2.003  -3.520
  212    HB   VAL  43           HB       VAL  43  -4.528   1.214  -1.396
  213   1HG1  VAL  43          1HG1      VAL  43  -4.714   0.041  -3.694
  214   2HG1  VAL  43          2HG1      VAL  43  -3.983   1.519  -4.320
  215   3HG1  VAL  43          3HG1      VAL  43  -3.128   0.553  -3.118
  216   1HG2  VAL  43          1HG2      VAL  43  -5.041   3.811  -2.291
  217   2HG2  VAL  43          2HG2      VAL  43  -3.628   3.245  -1.399
  218   3HG2  VAL  43          3HG2      VAL  43  -3.600   3.287  -3.162
  219    H    GLU  44           H        GLU  44  -6.902  -0.037  -4.263
  220    HA   GLU  44           HA       GLU  44  -8.078  -1.919  -2.361
  221   1HB   GLU  44          1HB       GLU  44  -9.221  -1.340  -4.533
  222   2HB   GLU  44          2HB       GLU  44  -7.917  -2.167  -5.369
  223   1HG   GLU  44          1HG       GLU  44  -8.633  -4.102  -3.671
  224   2HG   GLU  44          2HG       GLU  44 -10.175  -3.261  -3.825
  225    H    VAL  45           H        VAL  45  -6.781  -3.364  -1.437
  226    HA   VAL  45           HA       VAL  45  -4.189  -3.958  -2.524
  227    HB   VAL  45           HB       VAL  45  -5.599  -5.116  -0.117
  228   1HG1  VAL  45          1HG1      VAL  45  -3.784  -6.539  -1.158
  229   2HG1  VAL  45          2HG1      VAL  45  -2.657  -5.252  -0.733
  230   3HG1  VAL  45          3HG1      VAL  45  -3.550  -6.097   0.532
  231   1HG2  VAL  45          1HG2      VAL  45  -4.114  -2.651  -0.593
  232   2HG2  VAL  45          2HG2      VAL  45  -5.184  -3.093   0.737
  233   3HG2  VAL  45          3HG2      VAL  45  -3.494  -3.592   0.764
  234    H    LEU  46           H        LEU  46  -3.513  -5.736  -3.561
  235    HA   LEU  46           HA       LEU  46  -5.563  -7.666  -4.366
  236   1HB   LEU  46          1HB       LEU  46  -3.214  -6.472  -5.630
  237   2HB   LEU  46          2HB       LEU  46  -3.314  -8.209  -5.861
  238    HG   LEU  46           HG       LEU  46  -5.843  -7.518  -6.484
  239   1HD1  LEU  46          1HD1      LEU  46  -4.206  -5.087  -6.735
  240   2HD1  LEU  46          2HD1      LEU  46  -5.221  -5.481  -8.121
  241   3HD1  LEU  46          3HD1      LEU  46  -5.947  -5.272  -6.528
  242   1HD2  LEU  46          1HD2      LEU  46  -3.373  -8.035  -7.974
  243   2HD2  LEU  46          2HD2      LEU  46  -4.967  -8.776  -8.123
  244   3HD2  LEU  46          3HD2      LEU  46  -4.637  -7.228  -8.902
  245    H    ASP  47           H        ASP  47  -2.680  -7.380  -2.497
  246    HA   ASP  47           HA       ASP  47  -2.908 -10.172  -1.726
  247   1HB   ASP  47          1HB       ASP  47  -1.102  -9.589  -3.673
  248   2HB   ASP  47          2HB       ASP  47  -0.114  -9.371  -2.232
  249    H    SER  48           H        SER  48  -3.678  -9.015   0.182
  250    HA   SER  48           HA       SER  48  -1.905  -7.374   1.721
  251   1HB   SER  48          1HB       SER  48  -3.690  -8.162   3.559
  252   2HB   SER  48          2HB       SER  48  -4.057  -6.917   2.364
  253    HG   SER  48           HG       SER  48  -4.874  -9.604   2.449
  254    H    SER  49           H        SER  49  -1.849 -10.649   1.077
  255    HA   SER  49           HA       SER  49  -1.040 -11.506   3.688
  256   1HB   SER  49          1HB       SER  49  -1.465 -12.738   1.111
  257   2HB   SER  49          2HB       SER  49   0.096 -13.238   1.761
  258    HG   SER  49           HG       SER  49  -1.601 -13.344   3.759
  259    H    ASN  50           H        ASN  50   0.682 -10.785   4.583
  260    HA   ASN  50           HA       ASN  50   3.292 -11.136   3.980
  261   1HB   ASN  50          1HB       ASN  50   2.147  -8.933   2.431
  262   2HB   ASN  50          2HB       ASN  50   3.561  -8.454   3.365
  263   1HD2  ASN  50          1HD2      ASN  50   2.865  -9.028   0.428
  264   2HD2  ASN  50          2HD2      ASN  50   4.191  -9.989  -0.112
  265    HA   PRO  51           HA       PRO  51   3.245  -9.088   7.897
  266   1HB   PRO  51          1HB       PRO  51   5.830  -9.108   8.548
  267   2HB   PRO  51          2HB       PRO  51   4.937 -10.616   8.313
  268   1HG   PRO  51          1HG       PRO  51   6.876  -9.260   6.499
  269   2HG   PRO  51          2HG       PRO  51   6.615 -10.990   6.774
  270   1HD   PRO  51          1HD       PRO  51   5.586  -9.462   4.645
  271   2HD   PRO  51          2HD       PRO  51   5.078 -11.099   5.106
  272    H    SER  52           H        SER  52   4.028  -7.329   5.265
  273    HA   SER  52           HA       SER  52   4.014  -4.881   6.681
  274   1HB   SER  52          1HB       SER  52   6.646  -6.024   6.014
  275   2HB   SER  52          2HB       SER  52   6.425  -4.335   5.559
  276    HG   SER  52           HG       SER  52   6.026  -3.821   7.667
  277    H    TRP  53           H        TRP  53   5.493  -6.084   3.647
  278    HA   TRP  53           HA       TRP  53   4.184  -3.885   2.232
  279   1HB   TRP  53          1HB       TRP  53   6.493  -5.683   1.643
  280   2HB   TRP  53          2HB       TRP  53   5.632  -4.946   0.297
  281    HD1  TRP  53           HD1      TRP  53   7.760  -3.995   3.352
  282    HE1  TRP  53           HE1      TRP  53   8.721  -1.639   2.967
  283    HE3  TRP  53           HE3      TRP  53   5.284  -2.804  -0.956
  284    HZ2  TRP  53           HZ2      TRP  53   8.464   0.449   1.082
  285    HZ3  TRP  53           HZ3      TRP  53   5.696  -0.608  -1.987
  286    HH2  TRP  53           HH2      TRP  53   7.253   0.984  -0.987
  287    H    TRP  54           H        TRP  54   2.319  -4.191   1.235
  288    HA   TRP  54           HA       TRP  54   1.661  -6.899   0.267
  289   1HB   TRP  54          1HB       TRP  54  -0.352  -4.728   0.871
  290   2HB   TRP  54          2HB       TRP  54  -0.662  -6.423   0.524
  291    HD1  TRP  54           HD1      TRP  54   1.750  -7.277   2.725
  292    HE1  TRP  54           HE1      TRP  54   0.989  -7.373   5.176
  293    HE3  TRP  54           HE3      TRP  54  -2.426  -4.364   2.383
  294    HZ2  TRP  54           HZ2      TRP  54  -1.097  -6.323   6.770
  295    HZ3  TRP  54           HZ3      TRP  54  -3.750  -3.952   4.416
  296    HH2  TRP  54           HH2      TRP  54  -3.097  -4.911   6.564
  297    H    THR  55           H        THR  55   1.037  -7.161  -1.834
  298    HA   THR  55           HA       THR  55   1.565  -4.946  -3.628
  299    HB   THR  55           HB       THR  55   0.697  -7.737  -4.385
  300    HG1  THR  55           HG1      THR  55   3.244  -7.592  -4.753
  301   1HG2  THR  55          1HG2      THR  55   2.018  -5.465  -5.848
  302   2HG2  THR  55          2HG2      THR  55   2.084  -7.127  -6.435
  303   3HG2  THR  55          3HG2      THR  55   0.529  -6.315  -6.258
  304    H    GLY  56           H        GLY  56   0.035  -3.584  -4.264
  305   1HA   GLY  56          1HA       GLY  56  -2.524  -3.308  -3.689
  306   2HA   GLY  56          2HA       GLY  56  -2.643  -4.595  -4.883
  307    H    ARG  57           H        ARG  57  -3.944  -2.219  -5.385
  308    HA   ARG  57           HA       ARG  57  -2.189  -0.652  -7.111
  309   1HB   ARG  57          1HB       ARG  57  -3.738  -0.872  -9.047
  310   2HB   ARG  57          2HB       ARG  57  -2.910  -2.370  -8.622
  311   1HG   ARG  57          1HG       ARG  57  -4.828  -3.390  -7.923
  312   2HG   ARG  57          2HG       ARG  57  -5.602  -1.871  -7.464
  313   1HD   ARG  57          1HD       ARG  57  -5.787  -1.314  -9.886
  314   2HD   ARG  57          2HD       ARG  57  -5.174  -2.926 -10.255
  315    HE   ARG  57           HE       ARG  57  -7.272  -3.469  -8.671
  316   1HH1  ARG  57          1HH1      ARG  57  -6.928  -1.411 -11.462
  317   2HH1  ARG  57          2HH1      ARG  57  -8.569  -1.614 -11.973
  318   1HH2  ARG  57          1HH2      ARG  57  -9.435  -3.740  -9.338
  319   2HH2  ARG  57          2HH2      ARG  57  -9.995  -2.938 -10.766
  320    H    LEU  58           H        LEU  58  -2.700   1.431  -7.228
  321    HA   LEU  58           HA       LEU  58  -5.158   2.334  -5.892
  322   1HB   LEU  58          1HB       LEU  58  -3.286   3.303  -4.847
  323   2HB   LEU  58          2HB       LEU  58  -2.471   3.587  -6.373
  324    HG   LEU  58           HG       LEU  58  -4.493   5.230  -6.786
  325   1HD1  LEU  58          1HD1      LEU  58  -5.591   4.497  -4.644
  326   2HD1  LEU  58          2HD1      LEU  58  -4.297   5.339  -3.791
  327   3HD1  LEU  58          3HD1      LEU  58  -5.387   6.238  -4.847
  328   1HD2  LEU  58          1HD2      LEU  58  -1.955   5.594  -5.288
  329   2HD2  LEU  58          2HD2      LEU  58  -2.447   6.234  -6.857
  330   3HD2  LEU  58          3HD2      LEU  58  -3.082   6.947  -5.375
  331    H    HIS  59           H        HIS  59  -6.778   2.911  -7.189
  332    HA   HIS  59           HA       HIS  59  -7.954   3.774  -8.932
  333   1HB   HIS  59          1HB       HIS  59  -5.341   5.215  -9.391
  334   2HB   HIS  59          2HB       HIS  59  -6.755   5.472 -10.408
  335    HD1  HIS  59           HD1      HIS  59  -8.328   5.057  -7.364
  336    HD2  HIS  59           HD2      HIS  59  -5.886   8.070  -8.856
  337    HE1  HIS  59           HE1      HIS  59  -8.844   7.089  -5.976
  338    HE2  HIS  59           HE2      HIS  59  -7.289   8.875  -6.837
  339    H    ASN  60           H        ASN  60  -4.897   3.800 -10.699
  340    HA   ASN  60           HA       ASN  60  -5.673   1.351 -12.103
  341   1HB   ASN  60          1HB       ASN  60  -5.525   4.073 -13.256
  342   2HB   ASN  60          2HB       ASN  60  -4.736   2.809 -14.195
  343   1HD2  ASN  60          1HD2      ASN  60  -6.204   2.892 -15.857
  344   2HD2  ASN  60          2HD2      ASN  60  -7.830   2.331 -15.702
  345    H    LYS  61           H        LYS  61  -3.444   2.698 -10.304
  346    HA   LYS  61           HA       LYS  61  -1.131   1.832 -11.887
  347   1HB   LYS  61          1HB       LYS  61  -1.496   3.681  -9.565
  348   2HB   LYS  61          2HB       LYS  61   0.051   2.867  -9.759
  349   1HG   LYS  61          1HG       LYS  61  -0.176   3.778 -12.227
  350   2HG   LYS  61          2HG       LYS  61  -1.212   4.966 -11.431
  351   1HD   LYS  61          1HD       LYS  61   0.984   4.821  -9.769
  352   2HD   LYS  61          2HD       LYS  61   1.687   4.681 -11.382
  353   1HE   LYS  61          1HE       LYS  61  -0.065   6.887 -10.316
  354   2HE   LYS  61          2HE       LYS  61   1.622   6.998 -10.817
  355   1HZ   LYS  61          1HZ       LYS  61   0.935   6.506 -13.087
  356   2HZ   LYS  61          2HZ       LYS  61  -0.683   6.424 -12.601
  357   3HZ   LYS  61          3HZ       LYS  61   0.155   7.890 -12.504
  358    H    LEU  62           H        LEU  62  -0.109  -0.031 -11.411
  359    HA   LEU  62           HA       LEU  62  -1.010  -1.485  -9.025
  360   1HB   LEU  62          1HB       LEU  62   0.655  -2.893 -11.006
  361   2HB   LEU  62          2HB       LEU  62  -0.795  -3.422 -10.173
  362    HG   LEU  62           HG       LEU  62  -1.546  -1.382 -12.011
  363   1HD1  LEU  62          1HD1      LEU  62   0.499  -3.283 -13.010
  364   2HD1  LEU  62          2HD1      LEU  62  -0.883  -2.937 -14.049
  365   3HD1  LEU  62          3HD1      LEU  62   0.157  -1.624 -13.499
  366   1HD2  LEU  62          1HD2      LEU  62  -2.070  -4.280 -11.575
  367   2HD2  LEU  62          2HD2      LEU  62  -3.181  -2.911 -11.519
  368   3HD2  LEU  62          3HD2      LEU  62  -2.621  -3.530 -13.073
  369    H    GLY  63           H        GLY  63   0.424  -2.428  -7.595
  370   1HA   GLY  63          1HA       GLY  63   3.006  -1.102  -7.433
  371   2HA   GLY  63          2HA       GLY  63   3.050  -2.849  -7.608
  372    H    LEU  64           H        LEU  64   4.120  -2.921  -5.563
  373    HA   LEU  64           HA       LEU  64   2.332  -3.398  -3.402
  374   1HB   LEU  64          1HB       LEU  64   4.930  -3.251  -2.355
  375   2HB   LEU  64          2HB       LEU  64   4.029  -4.689  -2.786
  376    HG   LEU  64           HG       LEU  64   5.577  -3.250  -4.900
  377   1HD1  LEU  64          1HD1      LEU  64   6.821  -4.008  -2.583
  378   2HD1  LEU  64          2HD1      LEU  64   7.010  -5.433  -3.604
  379   3HD1  LEU  64          3HD1      LEU  64   7.592  -3.865  -4.162
  380   1HD2  LEU  64          1HD2      LEU  64   4.108  -5.698  -4.638
  381   2HD2  LEU  64          2HD2      LEU  64   4.827  -4.974  -6.078
  382   3HD2  LEU  64          3HD2      LEU  64   5.786  -6.046  -5.056
  383    H    PHE  65           H        PHE  65   2.615  -2.443  -1.210
  384    HA   PHE  65           HA       PHE  65   3.587   0.307  -1.163
  385   1HB   PHE  65          1HB       PHE  65   1.542   1.313  -0.589
  386   2HB   PHE  65          2HB       PHE  65   1.106   0.213  -1.897
  387    HD1  PHE  65           HD1      PHE  65   0.938   0.838   1.701
  388    HD2  PHE  65           HD2      PHE  65  -0.288  -1.705  -1.479
  389    HE1  PHE  65           HE1      PHE  65  -0.694  -0.210   3.188
  390    HE2  PHE  65           HE2      PHE  65  -1.937  -2.769  -0.002
  391    HZ   PHE  65           HZ       PHE  65  -2.146  -2.027   2.345
  392    HA   PRO  66           HA       PRO  66   4.409  -0.689   3.099
  393   1HB   PRO  66          1HB       PRO  66   4.338   1.660   4.334
  394   2HB   PRO  66          2HB       PRO  66   5.506   1.381   3.032
  395   1HG   PRO  66          1HG       PRO  66   2.841   2.756   2.910
  396   2HG   PRO  66          2HG       PRO  66   4.395   3.310   2.280
  397   1HD   PRO  66          1HD       PRO  66   2.537   2.088   0.723
  398   2HD   PRO  66          2HD       PRO  66   4.277   1.959   0.427
  399    H    ALA  67           H        ALA  67   2.786  -1.966   3.985
  400    HA   ALA  67           HA       ALA  67   0.168  -1.023   4.542
  401   1HB   ALA  67          1HB       ALA  67   1.313  -3.488   4.437
  402   2HB   ALA  67          2HB       ALA  67   1.097  -3.273   6.174
  403   3HB   ALA  67          3HB       ALA  67  -0.289  -3.149   5.090
  404    H    ASN  68           H        ASN  68   3.078  -0.342   6.000
  405    HA   ASN  68           HA       ASN  68   1.988  -0.023   8.686
  406   1HB   ASN  68          1HB       ASN  68   4.094  -0.573   9.220
  407   2HB   ASN  68          2HB       ASN  68   4.624  -0.388   7.553
  408   1HD2  ASN  68          1HD2      ASN  68   5.168   1.782   6.838
  409   2HD2  ASN  68          2HD2      ASN  68   5.837   2.899   7.973
  410    H    TYR  69           H        TYR  69   3.043   1.895   5.935
  411    HA   TYR  69           HA       TYR  69   2.954   4.396   7.309
  412   1HB   TYR  69          1HB       TYR  69   4.042   3.610   4.961
  413   2HB   TYR  69          2HB       TYR  69   2.578   4.398   4.377
  414    HD1  TYR  69           HD1      TYR  69   2.696   6.655   3.917
  415    HD2  TYR  69           HD2      TYR  69   5.349   5.016   6.808
  416    HE1  TYR  69           HE1      TYR  69   3.779   8.850   4.158
  417    HE2  TYR  69           HE2      TYR  69   6.439   7.207   7.060
  418    HH   TYR  69           HH       TYR  69   6.734   9.282   5.701
  419    H    VAL  70           H        VAL  70   0.672   2.585   5.300
  420    HA   VAL  70           HA       VAL  70  -1.377   4.576   6.051
  421    HB   VAL  70           HB       VAL  70  -2.465   4.352   3.979
  422   1HG1  VAL  70          1HG1      VAL  70  -0.303   5.637   3.989
  423   2HG1  VAL  70          2HG1      VAL  70   0.450   4.228   3.240
  424   3HG1  VAL  70          3HG1      VAL  70  -0.847   5.083   2.405
  425   1HG2  VAL  70          1HG2      VAL  70  -1.429   1.728   4.008
  426   2HG2  VAL  70          2HG2      VAL  70  -2.575   2.431   2.867
  427   3HG2  VAL  70          3HG2      VAL  70  -0.845   2.494   2.531
  428    H    ALA  71           H        ALA  71  -3.455   3.835   6.537
  429    HA   ALA  71           HA       ALA  71  -3.557   1.023   7.387
  430   1HB   ALA  71          1HB       ALA  71  -5.704   2.774   8.314
  431   2HB   ALA  71          2HB       ALA  71  -4.650   1.692   9.224
  432   3HB   ALA  71          3HB       ALA  71  -4.094   3.309   8.795
  433    HA   PRO  72           HA       PRO  72  -6.410  -0.111   4.233
  434   1HB   PRO  72          1HB       PRO  72  -7.846  -1.589   6.382
  435   2HB   PRO  72          2HB       PRO  72  -7.268  -2.157   4.810
  436   1HG   PRO  72          1HG       PRO  72  -5.959  -2.799   7.009
  437   2HG   PRO  72          2HG       PRO  72  -5.072  -2.353   5.541
  438   1HD   PRO  72          1HD       PRO  72  -5.584  -0.728   8.005
  439   2HD   PRO  72          2HD       PRO  72  -4.119  -0.826   7.006
  440    H    MET  73           H        MET  73  -8.829  -0.414   3.914
  441    HA   MET  73           HA       MET  73 -10.386   1.599   5.363
  442   1HB   MET  73          1HB       MET  73  -9.275   2.285   3.056
  443   2HB   MET  73          2HB       MET  73 -10.657   1.418   2.409
  444   1HG   MET  73          1HG       MET  73 -11.029   3.544   4.474
  445   2HG   MET  73          2HG       MET  73 -10.828   3.962   2.773
  446   1HE   MET  73          1HE       MET  73 -12.868   4.869   1.888
  447   2HE   MET  73          2HE       MET  73 -12.649   3.440   0.878
  448   3HE   MET  73          3HE       MET  73 -14.253   3.857   1.481
  449    H    MET  74           H        MET  74 -11.786   0.166   6.308
  450    HA   MET  74           HA       MET  74 -12.849  -2.088   4.921
  451   1HB   MET  74          1HB       MET  74 -12.576  -1.688   7.481
  452   2HB   MET  74          2HB       MET  74 -14.136  -0.885   7.351
  453   1HG   MET  74          1HG       MET  74 -14.303  -3.381   6.008
  454   2HG   MET  74          2HG       MET  74 -13.580  -3.647   7.593
  455   1HE   MET  74          1HE       MET  74 -15.300  -4.984   8.719
  456   2HE   MET  74          2HE       MET  74 -17.033  -4.665   8.744
  457   3HE   MET  74          3HE       MET  74 -16.248  -5.149   7.241
  458    H    ARG  75           H        ARG  75 -14.092  -1.756   3.193
  459    HA   ARG  75           HA       ARG  75 -15.973   0.452   3.109
  460   1HB   ARG  75          1HB       ARG  75 -15.044  -1.606   1.131
  461   2HB   ARG  75          2HB       ARG  75 -16.488  -0.655   0.812
  462   1HG   ARG  75          1HG       ARG  75 -15.075   1.400   1.172
  463   2HG   ARG  75          2HG       ARG  75 -13.673   0.330   1.167
  464   1HD   ARG  75          1HD       ARG  75 -13.785   1.014  -1.041
  465   2HD   ARG  75          2HD       ARG  75 -14.640  -0.528  -1.075
  466    HE   ARG  75           HE       ARG  75 -16.686   0.648  -1.280
  467   1HH1  ARG  75          1HH1      ARG  75 -13.881   2.715  -1.342
  468   2HH1  ARG  75          2HH1      ARG  75 -14.722   4.051  -2.055
  469   1HH2  ARG  75          1HH2      ARG  75 -17.801   2.401  -2.219
  470   2HH2  ARG  75          2HH2      ARG  75 -16.951   3.873  -2.553
  471    H1   ALA  76           H1       ALA  76   5.594   7.206  13.947
  472    H2   ALA  76           H2       ALA  76   6.144   8.797  14.114
  473    H3   ALA  76           H3       ALA  76   4.535   8.497  13.689
  474    HA   ALA  76           HA       ALA  76   5.053   8.579  11.570
  475   1HB   ALA  76          3HB       ALA  76   7.195   9.764  12.768
  476   2HB   ALA  76          1HB       ALA  76   7.972   8.527  11.780
  477   3HB   ALA  76          2HB       ALA  76   6.907   9.715  11.030
  478    HA   PRO  77           HA       PRO  77   5.446   4.039  11.215
  479   1HB   PRO  77          1HB       PRO  77   4.405   4.844   8.538
  480   2HB   PRO  77          2HB       PRO  77   3.882   3.532   9.600
  481   1HG   PRO  77          1HG       PRO  77   2.446   5.761   9.393
  482   2HG   PRO  77          2HG       PRO  77   2.644   4.952  10.958
  483   1HD   PRO  77          1HD       PRO  77   3.933   7.436   9.930
  484   2HD   PRO  77          2HD       PRO  77   3.428   7.025  11.581
  485    H    SER  78           H        SER  78   7.278   3.070  10.656
  486    HA   SER  78           HA       SER  78   8.846   4.181   8.423
  487   1HB   SER  78          1HB       SER  78   9.873   4.335  10.739
  488   2HB   SER  78          2HB       SER  78   9.959   2.574  10.728
  489    HG   SER  78           HG       SER  78  10.979   3.772   8.474
  490    H    ILE  79           H        ILE  79   8.901   2.962   6.691
  491    HA   ILE  79           HA       ILE  79   8.528   0.063   7.010
  492    HB   ILE  79           HB       ILE  79   7.219   1.972   5.299
  493   1HG1  ILE  79          1HG1      ILE  79   6.279   0.110   6.746
  494   2HG1  ILE  79          2HG1      ILE  79   5.585   0.273   5.139
  495   1HG2  ILE  79          1HG2      ILE  79   8.643  -0.277   3.890
  496   2HG2  ILE  79          2HG2      ILE  79   7.271   0.599   3.213
  497   3HG2  ILE  79          3HG2      ILE  79   8.773   1.452   3.570
  498   1HD1  ILE  79          1HD1      ILE  79   7.070  -1.572   4.385
  499   2HD1  ILE  79          2HD1      ILE  79   7.579  -1.781   6.060
  500   3HD1  ILE  79          3HD1      ILE  79   5.894  -2.045   5.611
  501    H    ASP  80           H        ASP  80   9.961  -1.315   6.168
  502    HA   ASP  80           HA       ASP  80  12.288  -0.176   4.769
  503   1HB   ASP  80          1HB       ASP  80  12.313  -2.823   6.193
  504   2HB   ASP  80          2HB       ASP  80  13.668  -1.768   5.800
  505    H    ARG  81           H        ARG  81  12.871  -0.958   2.819
  506    HA   ARG  81           HA       ARG  81  11.032  -2.569   1.366
  507   1HB   ARG  81          1HB       ARG  81  13.824  -1.667   0.642
  508   2HB   ARG  81          2HB       ARG  81  12.662  -2.369  -0.476
  509   1HG   ARG  81          1HG       ARG  81  11.277  -0.277   0.682
  510   2HG   ARG  81          2HG       ARG  81  12.912   0.355   0.479
  511   1HD   ARG  81          1HD       ARG  81  11.631  -1.121  -1.774
  512   2HD   ARG  81          2HD       ARG  81  11.144   0.543  -1.451
  513    HE   ARG  81           HE       ARG  81  13.396   1.230  -1.889
  514   1HH1  ARG  81          1HH1      ARG  81  12.692  -2.093  -2.659
  515   2HH1  ARG  81          2HH1      ARG  81  14.033  -2.262  -3.742
  516   1HH2  ARG  81          1HH2      ARG  81  15.162   1.020  -3.314
  517   2HH2  ARG  81          2HH2      ARG  81  15.438  -0.490  -4.114
  518    H    SER  82           H        SER  82  13.359  -3.430   3.564
  519    HA   SER  82           HA       SER  82  14.394  -5.774   2.275
  520   1HB   SER  82          1HB       SER  82  15.352  -6.293   4.496
  521   2HB   SER  82          2HB       SER  82  15.708  -4.641   3.991
  522    HG   SER  82           HG       SER  82  14.150  -5.562   6.079
  523    H    THR  83           H        THR  83  11.365  -5.156   3.247
  524    HA   THR  83           HA       THR  83  10.884  -7.973   3.952
  525    HB   THR  83           HB       THR  83  10.615  -6.615   5.970
  526    HG1  THR  83           HG1      THR  83   8.019  -7.057   5.798
  527   1HG2  THR  83          1HG2      THR  83   9.725  -4.638   4.357
  528   2HG2  THR  83          2HG2      THR  83   8.196  -5.250   4.985
  529   3HG2  THR  83          3HG2      THR  83   9.444  -4.687   6.097
  530    H    LYS  84           H        LYS  84  10.744  -6.470   1.399
  531    HA   LYS  84           HA       LYS  84   8.060  -6.001   0.664
  532   1HB   LYS  84          1HB       LYS  84  10.680  -6.185  -0.638
  533   2HB   LYS  84          2HB       LYS  84   9.355  -6.714  -1.662
  534   1HG   LYS  84          1HG       LYS  84   8.641  -4.628  -1.988
  535   2HG   LYS  84          2HG       LYS  84   8.775  -4.228  -0.274
  536   1HD   LYS  84          1HD       LYS  84  10.309  -2.800  -1.296
  537   2HD   LYS  84          2HD       LYS  84  11.305  -4.128  -0.701
  538   1HE   LYS  84          1HE       LYS  84  11.174  -3.129  -3.312
  539   2HE   LYS  84          2HE       LYS  84  12.033  -4.561  -2.752
  540   1HZ   LYS  84          1HZ       LYS  84   9.201  -4.535  -3.647
  541   2HZ   LYS  84          2HZ       LYS  84  10.508  -5.013  -4.607
  542   3HZ   LYS  84          3HZ       LYS  84  10.107  -5.897  -3.221
  543    HA   PRO  85           HA       PRO  85   6.116  -9.893  -0.111
  544   1HB   PRO  85          1HB       PRO  85   6.090  -9.231  -3.023
  545   2HB   PRO  85          2HB       PRO  85   4.770  -9.781  -1.983
  546   1HG   PRO  85          1HG       PRO  85   4.941  -7.229  -2.699
  547   2HG   PRO  85          2HG       PRO  85   4.449  -7.677  -1.055
  548   1HD   PRO  85          1HD       PRO  85   7.046  -6.589  -2.026
  549   2HD   PRO  85          2HD       PRO  85   6.217  -6.320  -0.482
  550    H    ALA  86           H        ALA  86   7.444 -11.593   0.162
  551    HA   ALA  86           HA       ALA  86   9.241 -12.307  -2.064
  552   1HB   ALA  86          1HB       ALA  86  10.413 -13.558   0.006
  553   2HB   ALA  86          2HB       ALA  86  10.842 -11.930  -0.517
  554   3HB   ALA  86          3HB       ALA  86   9.740 -12.158   0.840

  No H/Q in entry =         554
  Start of MODEL    9
    1    H1   GLY  16           H1       GLY  16 -15.019  -7.204   7.016
    2    H2   GLY  16           H2       GLY  16 -15.918  -8.597   6.683
    3    H3   GLY  16           H3       GLY  16 -16.060  -7.837   8.189
    4   1HA   GLY  16          1HA       GLY  16 -14.696  -9.873   8.269
    5   2HA   GLY  16          2HA       GLY  16 -13.853  -8.428   8.806
    6    H    ARG  17           H        ARG  17 -13.779  -7.568   5.875
    7    HA   ARG  17           HA       ARG  17 -11.426  -9.190   5.190
    8   1HB   ARG  17          1HB       ARG  17 -13.818  -8.592   3.539
    9   2HB   ARG  17          2HB       ARG  17 -12.256  -8.539   2.730
   10   1HG   ARG  17          1HG       ARG  17 -12.160 -10.748   2.637
   11   2HG   ARG  17          2HG       ARG  17 -12.434 -10.876   4.377
   12   1HD   ARG  17          1HD       ARG  17 -14.835 -10.732   4.031
   13   2HD   ARG  17          2HD       ARG  17 -14.591 -10.524   2.298
   14    HE   ARG  17           HE       ARG  17 -14.311 -12.990   3.822
   15   1HH1  ARG  17          1HH1      ARG  17 -13.964 -11.324   0.782
   16   2HH1  ARG  17          2HH1      ARG  17 -13.874 -12.780  -0.152
   17   1HH2  ARG  17          1HH2      ARG  17 -14.195 -14.911   2.601
   18   2HH2  ARG  17          2HH2      ARG  17 -14.007 -14.819   0.882
   19    H    VAL  18           H        VAL  18  -9.925  -7.738   5.806
   20    HA   VAL  18           HA       VAL  18 -10.091  -4.988   4.826
   21    HB   VAL  18           HB       VAL  18  -7.877  -4.807   6.176
   22   1HG1  VAL  18          1HG1      VAL  18 -10.009  -3.778   6.809
   23   2HG1  VAL  18          2HG1      VAL  18 -10.496  -5.280   7.593
   24   3HG1  VAL  18          3HG1      VAL  18  -9.123  -4.365   8.217
   25   1HG2  VAL  18          1HG2      VAL  18  -7.560  -7.234   6.431
   26   2HG2  VAL  18          2HG2      VAL  18  -7.647  -6.406   7.987
   27   3HG2  VAL  18          3HG2      VAL  18  -9.038  -7.313   7.390
   28    H    ARG  19           H        ARG  19  -9.390  -4.714   2.810
   29    HA   ARG  19           HA       ARG  19  -6.695  -5.579   2.137
   30   1HB   ARG  19          1HB       ARG  19  -7.541  -6.434  -0.103
   31   2HB   ARG  19          2HB       ARG  19  -7.865  -7.454   1.292
   32   1HG   ARG  19          1HG       ARG  19 -10.150  -6.589   1.397
   33   2HG   ARG  19          2HG       ARG  19  -9.824  -5.572  -0.008
   34   1HD   ARG  19          1HD       ARG  19  -9.234  -7.710  -1.237
   35   2HD   ARG  19          2HD       ARG  19  -9.935  -8.574   0.131
   36    HE   ARG  19           HE       ARG  19 -11.656  -6.577  -1.045
   37   1HH1  ARG  19          1HH1      ARG  19 -10.642  -9.910  -1.079
   38   2HH1  ARG  19          2HH1      ARG  19 -12.100 -10.482  -1.819
   39   1HH2  ARG  19          1HH2      ARG  19 -13.582  -7.321  -2.021
   40   2HH2  ARG  19          2HH2      ARG  19 -13.770  -9.010  -2.354
   41    H    TRP  20           H        TRP  20  -7.271  -3.037   2.658
   42    HA   TRP  20           HA       TRP  20  -7.133  -1.768   0.031
   43   1HB   TRP  20          1HB       TRP  20  -8.939  -0.860   2.279
   44   2HB   TRP  20          2HB       TRP  20  -8.607   0.074   0.824
   45    HD1  TRP  20           HD1      TRP  20 -10.285  -3.212   1.926
   46    HE1  TRP  20           HE1      TRP  20 -12.005  -3.875   0.112
   47    HE3  TRP  20           HE3      TRP  20  -9.297   0.438  -1.512
   48    HZ2  TRP  20           HZ2      TRP  20 -12.811  -2.960  -2.442
   49    HZ3  TRP  20           HZ3      TRP  20 -10.584   0.480  -3.606
   50    HH2  TRP  20           HH2      TRP  20 -12.310  -1.186  -4.058
   51    H    ALA  21           H        ALA  21  -6.114   0.359   0.092
   52    HA   ALA  21           HA       ALA  21  -4.486   0.741   2.504
   53   1HB   ALA  21          1HB       ALA  21  -2.582   0.776   1.318
   54   2HB   ALA  21          2HB       ALA  21  -3.311   1.689  -0.003
   55   3HB   ALA  21          3HB       ALA  21  -3.517  -0.061   0.079
   56    H    ARG  22           H        ARG  22  -5.429   2.473   3.442
   57    HA   ARG  22           HA       ARG  22  -6.078   4.760   1.719
   58   1HB   ARG  22          1HB       ARG  22  -8.006   4.362   2.933
   59   2HB   ARG  22          2HB       ARG  22  -7.129   3.838   4.366
   60   1HG   ARG  22          1HG       ARG  22  -6.363   6.400   4.308
   61   2HG   ARG  22          2HG       ARG  22  -7.921   6.550   3.496
   62   1HD   ARG  22          1HD       ARG  22  -8.166   6.883   5.893
   63   2HD   ARG  22          2HD       ARG  22  -9.008   5.423   5.374
   64    HE   ARG  22           HE       ARG  22  -6.338   4.928   6.306
   65   1HH1  ARG  22          1HH1      ARG  22  -9.661   5.352   7.262
   66   2HH1  ARG  22          2HH1      ARG  22  -9.487   4.460   8.735
   67   1HH2  ARG  22          1HH2      ARG  22  -6.098   3.751   8.245
   68   2HH2  ARG  22          2HH2      ARG  22  -7.460   3.551   9.295
   69    H    ALA  23           H        ALA  23  -4.452   6.062   1.525
   70    HA   ALA  23           HA       ALA  23  -2.362   6.249   3.461
   71   1HB   ALA  23          3HB       ALA  23  -2.083   8.376   1.672
   72   2HB   ALA  23          2HB       ALA  23  -2.788   7.056   0.738
   73   3HB   ALA  23          1HB       ALA  23  -1.276   6.808   1.613
   74    H    LEU  24           H        LEU  24  -1.901   7.787   4.891
   75    HA   LEU  24           HA       LEU  24  -3.845   9.973   5.254
   76   1HB   LEU  24          1HB       LEU  24  -2.076   8.823   7.410
   77   2HB   LEU  24          2HB       LEU  24  -3.455   9.884   7.604
   78    HG   LEU  24           HG       LEU  24  -3.485   6.960   6.879
   79   1HD1  LEU  24          1HD1      LEU  24  -3.586   8.334   9.322
   80   2HD1  LEU  24          2HD1      LEU  24  -5.228   7.774   9.001
   81   3HD1  LEU  24          3HD1      LEU  24  -3.893   6.621   9.030
   82   1HD2  LEU  24          1HD2      LEU  24  -5.427   9.047   6.276
   83   2HD2  LEU  24          2HD2      LEU  24  -5.323   7.389   5.683
   84   3HD2  LEU  24          3HD2      LEU  24  -6.104   7.725   7.228
   85    H    TYR  25           H        TYR  25  -0.793   9.044   4.423
   86    HA   TYR  25           HA       TYR  25   0.226  11.776   4.480
   87   1HB   TYR  25          1HB       TYR  25   2.230   9.667   5.072
   88   2HB   TYR  25          2HB       TYR  25   2.152  11.330   5.637
   89    HD1  TYR  25           HD1      TYR  25   0.715   7.943   6.168
   90    HD2  TYR  25           HD2      TYR  25   1.343  11.828   7.788
   91    HE1  TYR  25           HE1      TYR  25  -0.067   7.150   8.359
   92    HE2  TYR  25           HE2      TYR  25   0.560  11.044   9.983
   93    HH   TYR  25           HH       TYR  25  -0.744   9.301  10.960
   94    H    ASP  26           H        ASP  26   2.463  11.660   3.164
   95    HA   ASP  26           HA       ASP  26   1.848  11.034   0.539
   96   1HB   ASP  26          1HB       ASP  26   3.807  12.437   1.596
   97   2HB   ASP  26          2HB       ASP  26   4.701  10.928   1.438
   98    H    PHE  27           H        PHE  27   3.613   9.555  -0.733
   99    HA   PHE  27           HA       PHE  27   3.101   6.847   0.264
  100   1HB   PHE  27          1HB       PHE  27   3.302   6.110  -1.995
  101   2HB   PHE  27          2HB       PHE  27   2.314   7.567  -2.020
  102    HD1  PHE  27           HD1      PHE  27   5.468   6.054  -2.984
  103    HD2  PHE  27           HD2      PHE  27   3.204   9.656  -2.922
  104    HE1  PHE  27           HE1      PHE  27   7.003   7.048  -4.639
  105    HE2  PHE  27           HE2      PHE  27   4.732  10.654  -4.575
  106    HZ   PHE  27           HZ       PHE  27   6.635   9.348  -5.436
  107    H    GLU  28           H        GLU  28   4.687   5.268   0.386
  108    HA   GLU  28           HA       GLU  28   7.424   6.286   0.642
  109   1HB   GLU  28          1HB       GLU  28   6.258   3.658   1.560
  110   2HB   GLU  28          2HB       GLU  28   7.864   4.268   1.932
  111   1HG   GLU  28          1HG       GLU  28   5.928   6.211   2.695
  112   2HG   GLU  28          2HG       GLU  28   5.476   4.645   3.362
  113    H    ALA  29           H        ALA  29   5.816   5.179  -1.838
  114    HA   ALA  29           HA       ALA  29   7.283   2.888  -2.667
  115   1HB   ALA  29          3HB       ALA  29   6.352   4.164  -4.973
  116   2HB   ALA  29          1HB       ALA  29   5.582   2.846  -4.092
  117   3HB   ALA  29          2HB       ALA  29   5.162   4.518  -3.720
  118    H    LEU  30           H        LEU  30   9.439   3.051  -2.776
  119    HA   LEU  30           HA       LEU  30  10.584   5.305  -4.283
  120   1HB   LEU  30          1HB       LEU  30  12.204   3.487  -2.538
  121   2HB   LEU  30          2HB       LEU  30  12.544   5.136  -3.030
  122    HG   LEU  30           HG       LEU  30  10.468   4.276  -1.008
  123   1HD1  LEU  30          1HD1      LEU  30  13.259   4.805  -0.793
  124   2HD1  LEU  30          2HD1      LEU  30  12.370   6.081   0.038
  125   3HD1  LEU  30          3HD1      LEU  30  12.106   4.394   0.477
  126   1HD2  LEU  30          1HD2      LEU  30  11.229   7.016  -2.016
  127   2HD2  LEU  30          2HD2      LEU  30   9.669   6.213  -2.195
  128   3HD2  LEU  30          3HD2      LEU  30  10.227   6.709  -0.597
  129    H    GLU  31           H        GLU  31   9.721   2.142  -4.620
  130    HA   GLU  31           HA       GLU  31  11.948   1.571  -6.469
  131   1HB   GLU  31          1HB       GLU  31  11.120  -0.009  -4.471
  132   2HB   GLU  31          2HB       GLU  31  10.032  -0.573  -5.732
  133   1HG   GLU  31          1HG       GLU  31  11.734  -1.430  -7.012
  134   2HG   GLU  31          2HG       GLU  31  12.944  -0.356  -6.313
  135    H    GLU  32           H        GLU  32  11.341   0.298  -8.428
  136    HA   GLU  32           HA       GLU  32   9.258   1.670  -9.834
  137   1HB   GLU  32          1HB       GLU  32   9.924   0.121 -11.717
  138   2HB   GLU  32          2HB       GLU  32  11.207   1.143 -11.085
  139   1HG   GLU  32          1HG       GLU  32  10.902  -1.569  -9.930
  140   2HG   GLU  32          2HG       GLU  32  11.560  -1.430 -11.560
  141    H    ASP  33           H        ASP  33   9.700  -1.587  -8.551
  142    HA   ASP  33           HA       ASP  33   7.290  -2.640  -9.652
  143   1HB   ASP  33          1HB       ASP  33   9.445  -3.832  -8.646
  144   2HB   ASP  33          2HB       ASP  33   8.479  -3.803  -7.173
  145    H    GLU  34           H        GLU  34   7.807  -0.364  -7.328
  146    HA   GLU  34           HA       GLU  34   5.460  -1.110  -5.738
  147   1HB   GLU  34          1HB       GLU  34   7.651   0.912  -5.261
  148   2HB   GLU  34          2HB       GLU  34   6.233   0.755  -4.233
  149   1HG   GLU  34          1HG       GLU  34   6.881  -1.333  -3.445
  150   2HG   GLU  34          2HG       GLU  34   8.007  -1.591  -4.777
  151    H    LEU  35           H        LEU  35   3.897   0.555  -5.213
  152    HA   LEU  35           HA       LEU  35   3.587   2.524  -7.381
  153   1HB   LEU  35          1HB       LEU  35   1.489   1.854  -7.726
  154   2HB   LEU  35          2HB       LEU  35   1.900   0.433  -6.788
  155    HG   LEU  35           HG       LEU  35   1.012   2.720  -5.168
  156   1HD1  LEU  35          1HD1      LEU  35  -0.500   1.935  -7.509
  157   2HD1  LEU  35          2HD1      LEU  35  -1.408   1.691  -6.016
  158   3HD1  LEU  35          3HD1      LEU  35  -0.749   3.282  -6.398
  159   1HD2  LEU  35          1HD2      LEU  35   0.549  -0.232  -5.322
  160   2HD2  LEU  35          2HD2      LEU  35   1.222   0.728  -4.004
  161   3HD2  LEU  35          3HD2      LEU  35  -0.508   0.789  -4.347
  162    H    GLY  36           H        GLY  36   2.916   4.604  -6.846
  163   1HA   GLY  36          1HA       GLY  36   3.648   6.267  -5.202
  164   2HA   GLY  36          2HA       GLY  36   3.045   5.186  -3.959
  165    H    PHE  37           H        PHE  37   1.496   6.272  -2.981
  166    HA   PHE  37           HA       PHE  37  -0.690   7.370  -4.622
  167   1HB   PHE  37          1HB       PHE  37  -1.810   7.132  -2.180
  168   2HB   PHE  37          2HB       PHE  37  -1.889   5.870  -3.402
  169    HD1  PHE  37           HD1      PHE  37  -1.389   3.745  -2.714
  170    HD2  PHE  37           HD2      PHE  37   0.415   7.030  -0.701
  171    HE1  PHE  37           HE1      PHE  37  -0.313   2.188  -1.145
  172    HE2  PHE  37           HE2      PHE  37   1.499   5.478   0.871
  173    HZ   PHE  37           HZ       PHE  37   1.135   3.053   0.651
  174    H    ARG  38           H        ARG  38  -2.012   8.839  -2.744
  175    HA   ARG  38           HA       ARG  38  -0.009  10.758  -1.765
  176   1HB   ARG  38          1HB       ARG  38  -2.622  11.598  -3.002
  177   2HB   ARG  38          2HB       ARG  38  -1.253  12.614  -2.567
  178   1HG   ARG  38          1HG       ARG  38  -0.059  10.953  -4.308
  179   2HG   ARG  38          2HG       ARG  38  -1.698  10.961  -4.959
  180   1HD   ARG  38          1HD       ARG  38  -1.279  13.609  -4.448
  181   2HD   ARG  38          2HD       ARG  38   0.332  13.072  -4.927
  182    HE   ARG  38           HE       ARG  38  -0.442  12.729  -7.070
  183   1HH1  ARG  38          1HH1      ARG  38  -3.123  13.338  -4.928
  184   2HH1  ARG  38          2HH1      ARG  38  -4.275  13.509  -6.210
  185   1HH2  ARG  38          1HH2      ARG  38  -1.951  12.952  -8.764
  186   2HH2  ARG  38          2HH2      ARG  38  -3.609  13.288  -8.390
  187    H    SER  39           H        SER  39  -0.891  12.285  -0.139
  188    HA   SER  39           HA       SER  39  -2.004  10.956   2.027
  189   1HB   SER  39          1HB       SER  39  -0.717  13.097   2.134
  190   2HB   SER  39          2HB       SER  39  -2.139  13.937   1.517
  191    HG   SER  39           HG       SER  39  -1.829  13.852   3.889
  192    H    GLY  40           H        GLY  40  -3.997  10.408   2.597
  193   1HA   GLY  40          1HA       GLY  40  -6.316  11.926   1.932
  194   2HA   GLY  40          2HA       GLY  40  -6.292  10.354   2.715
  195    H    GLU  41           H        GLU  41  -5.435   8.578   1.033
  196    HA   GLU  41           HA       GLU  41  -7.312   8.761  -1.202
  197   1HB   GLU  41          1HB       GLU  41  -4.384   8.075  -1.465
  198   2HB   GLU  41          2HB       GLU  41  -5.576   7.729  -2.710
  199   1HG   GLU  41          1HG       GLU  41  -5.221  10.507  -1.657
  200   2HG   GLU  41          2HG       GLU  41  -4.153   9.860  -2.898
  201    H    VAL  42           H        VAL  42  -8.150   6.815  -1.908
  202    HA   VAL  42           HA       VAL  42  -7.725   4.567  -0.076
  203    HB   VAL  42           HB       VAL  42  -9.898   4.568  -2.126
  204   1HG1  VAL  42          1HG1      VAL  42  -9.356   3.338   0.526
  205   2HG1  VAL  42          2HG1      VAL  42 -11.033   3.618   0.060
  206   3HG1  VAL  42          3HG1      VAL  42  -9.994   2.613  -0.950
  207   1HG2  VAL  42          1HG2      VAL  42  -9.577   6.612  -0.113
  208   2HG2  VAL  42          2HG2      VAL  42 -10.790   6.468  -1.386
  209   3HG2  VAL  42          3HG2      VAL  42 -11.041   5.669   0.166
  210    H    VAL  43           H        VAL  43  -7.010   2.603  -0.745
  211    HA   VAL  43           HA       VAL  43  -6.491   2.232  -3.622
  212    HB   VAL  43           HB       VAL  43  -4.600   1.457  -1.396
  213   1HG1  VAL  43          1HG1      VAL  43  -4.814   0.233  -3.770
  214   2HG1  VAL  43          2HG1      VAL  43  -3.724   1.548  -4.212
  215   3HG1  VAL  43          3HG1      VAL  43  -3.282   0.434  -2.919
  216   1HG2  VAL  43          1HG2      VAL  43  -4.713   3.835  -3.195
  217   2HG2  VAL  43          2HG2      VAL  43  -4.323   3.741  -1.478
  218   3HG2  VAL  43          3HG2      VAL  43  -3.148   3.205  -2.678
  219    H    GLU  44           H        GLU  44  -6.723   0.144  -4.412
  220    HA   GLU  44           HA       GLU  44  -8.108  -1.711  -2.619
  221   1HB   GLU  44          1HB       GLU  44  -8.983  -1.054  -4.943
  222   2HB   GLU  44          2HB       GLU  44  -7.711  -2.084  -5.582
  223   1HG   GLU  44          1HG       GLU  44  -8.642  -3.972  -4.289
  224   2HG   GLU  44          2HG       GLU  44  -9.964  -2.925  -3.777
  225    H    VAL  45           H        VAL  45  -6.860  -3.107  -1.565
  226    HA   VAL  45           HA       VAL  45  -4.246  -3.831  -2.525
  227    HB   VAL  45           HB       VAL  45  -5.787  -4.807  -0.119
  228   1HG1  VAL  45          1HG1      VAL  45  -3.882  -6.268  -1.186
  229   2HG1  VAL  45          2HG1      VAL  45  -2.835  -5.096  -0.385
  230   3HG1  VAL  45          3HG1      VAL  45  -3.981  -6.045   0.561
  231   1HG2  VAL  45          1HG2      VAL  45  -4.143  -2.461  -0.661
  232   2HG2  VAL  45          2HG2      VAL  45  -5.276  -2.773   0.654
  233   3HG2  VAL  45          3HG2      VAL  45  -3.620  -3.369   0.758
  234    H    LEU  46           H        LEU  46  -3.580  -5.731  -3.382
  235    HA   LEU  46           HA       LEU  46  -5.692  -7.611  -4.172
  236   1HB   LEU  46          1HB       LEU  46  -3.625  -6.369  -5.608
  237   2HB   LEU  46          2HB       LEU  46  -3.157  -8.053  -5.470
  238    HG   LEU  46           HG       LEU  46  -5.799  -7.093  -6.572
  239   1HD1  LEU  46          1HD1      LEU  46  -3.189  -7.760  -7.861
  240   2HD1  LEU  46          2HD1      LEU  46  -4.701  -8.076  -8.711
  241   3HD1  LEU  46          3HD1      LEU  46  -4.303  -6.437  -8.201
  242   1HD2  LEU  46          1HD2      LEU  46  -5.042  -9.594  -5.574
  243   2HD2  LEU  46          2HD2      LEU  46  -6.464  -9.212  -6.544
  244   3HD2  LEU  46          3HD2      LEU  46  -4.977  -9.744  -7.330
  245    H    ASP  47           H        ASP  47  -2.682  -7.354  -2.431
  246    HA   ASP  47           HA       ASP  47  -3.054 -10.079  -1.468
  247   1HB   ASP  47          1HB       ASP  47  -0.454  -9.117  -2.678
  248   2HB   ASP  47          2HB       ASP  47  -0.669 -10.637  -1.815
  249    H    SER  48           H        SER  48  -3.652  -9.049   0.476
  250    HA   SER  48           HA       SER  48  -1.825  -7.315   1.878
  251   1HB   SER  48          1HB       SER  48  -3.998  -8.740   3.335
  252   2HB   SER  48          2HB       SER  48  -3.506  -7.049   3.422
  253    HG   SER  48           HG       SER  48  -5.121  -6.682   2.143
  254    H    SER  49           H        SER  49  -1.643 -10.517   1.205
  255    HA   SER  49           HA       SER  49  -0.817 -11.403   3.815
  256   1HB   SER  49          1HB       SER  49   0.293 -13.092   1.822
  257   2HB   SER  49          2HB       SER  49  -1.117 -13.405   2.833
  258    HG   SER  49           HG       SER  49  -1.777 -13.525   0.720
  259    H    ASN  50           H        ASN  50   0.908 -10.660   4.675
  260    HA   ASN  50           HA       ASN  50   3.509 -10.991   4.042
  261   1HB   ASN  50          1HB       ASN  50   2.329  -8.794   2.502
  262   2HB   ASN  50          2HB       ASN  50   3.772  -8.326   3.396
  263   1HD2  ASN  50          1HD2      ASN  50   2.990  -8.901   0.487
  264   2HD2  ASN  50          2HD2      ASN  50   4.291  -9.875  -0.087
  265    HA   PRO  51           HA       PRO  51   3.478  -8.891   7.933
  266   1HB   PRO  51          1HB       PRO  51   6.069  -8.958   8.578
  267   2HB   PRO  51          2HB       PRO  51   5.134 -10.445   8.384
  268   1HG   PRO  51          1HG       PRO  51   7.132  -9.214   6.558
  269   2HG   PRO  51          2HG       PRO  51   6.762 -10.924   6.832
  270   1HD   PRO  51          1HD       PRO  51   5.827  -9.299   4.710
  271   2HD   PRO  51          2HD       PRO  51   5.282 -10.937   5.116
  272    H    SER  52           H        SER  52   4.216  -7.172   5.294
  273    HA   SER  52           HA       SER  52   4.305  -4.712   6.674
  274   1HB   SER  52          1HB       SER  52   6.859  -5.963   6.245
  275   2HB   SER  52          2HB       SER  52   6.768  -4.452   5.339
  276    HG   SER  52           HG       SER  52   5.839  -3.672   7.500
  277    H    TRP  53           H        TRP  53   5.624  -6.058   3.631
  278    HA   TRP  53           HA       TRP  53   4.381  -3.823   2.201
  279   1HB   TRP  53          1HB       TRP  53   6.615  -5.711   1.595
  280   2HB   TRP  53          2HB       TRP  53   5.766  -4.939   0.264
  281    HD1  TRP  53           HD1      TRP  53   8.145  -4.170   3.148
  282    HE1  TRP  53           HE1      TRP  53   9.152  -1.829   2.781
  283    HE3  TRP  53           HE3      TRP  53   5.276  -2.665  -0.802
  284    HZ2  TRP  53           HZ2      TRP  53   8.776   0.368   1.042
  285    HZ3  TRP  53           HZ3      TRP  53   5.659  -0.433  -1.758
  286    HH2  TRP  53           HH2      TRP  53   7.373   1.052  -0.854
  287    H    TRP  54           H        TRP  54   2.456  -4.118   1.297
  288    HA   TRP  54           HA       TRP  54   1.754  -6.823   0.345
  289   1HB   TRP  54          1HB       TRP  54  -0.226  -4.620   0.957
  290   2HB   TRP  54          2HB       TRP  54  -0.562  -6.313   0.622
  291    HD1  TRP  54           HD1      TRP  54   1.872  -7.168   2.808
  292    HE1  TRP  54           HE1      TRP  54   1.130  -7.249   5.267
  293    HE3  TRP  54           HE3      TRP  54  -2.306  -4.254   2.484
  294    HZ2  TRP  54           HZ2      TRP  54  -0.943  -6.189   6.870
  295    HZ3  TRP  54           HZ3      TRP  54  -3.612  -3.830   4.527
  296    HH2  TRP  54           HH2      TRP  54  -2.942  -4.780   6.674
  297    H    THR  55           H        THR  55   0.957  -7.066  -1.738
  298    HA   THR  55           HA       THR  55   1.573  -4.879  -3.552
  299    HB   THR  55           HB       THR  55   0.521  -7.567  -4.401
  300    HG1  THR  55           HG1      THR  55   2.821  -7.071  -3.063
  301   1HG2  THR  55          1HG2      THR  55   0.761  -5.713  -6.056
  302   2HG2  THR  55          2HG2      THR  55   2.491  -5.691  -5.710
  303   3HG2  THR  55          3HG2      THR  55   1.752  -7.127  -6.420
  304    H    GLY  56           H        GLY  56   0.114  -3.592  -4.482
  305   1HA   GLY  56          1HA       GLY  56  -2.436  -3.185  -3.718
  306   2HA   GLY  56          2HA       GLY  56  -2.617  -4.458  -4.920
  307    H    ARG  57           H        ARG  57  -3.861  -2.076  -5.373
  308    HA   ARG  57           HA       ARG  57  -2.139  -0.459  -7.063
  309   1HB   ARG  57          1HB       ARG  57  -3.644  -0.703  -9.035
  310   2HB   ARG  57          2HB       ARG  57  -2.757  -2.172  -8.623
  311   1HG   ARG  57          1HG       ARG  57  -4.637  -3.318  -8.330
  312   2HG   ARG  57          2HG       ARG  57  -5.321  -2.064  -7.291
  313   1HD   ARG  57          1HD       ARG  57  -5.216  -1.779 -10.279
  314   2HD   ARG  57          2HD       ARG  57  -6.550  -2.586  -9.461
  315    HE   ARG  57           HE       ARG  57  -5.840   0.250  -9.173
  316   1HH1  ARG  57          1HH1      ARG  57  -8.099  -2.377  -8.812
  317   2HH1  ARG  57          2HH1      ARG  57  -9.428  -1.347  -8.394
  318   1HH2  ARG  57          1HH2      ARG  57  -7.583   1.612  -8.623
  319   2HH2  ARG  57          2HH2      ARG  57  -9.135   0.920  -8.287
  320    H    LEU  58           H        LEU  58  -2.823   1.582  -7.342
  321    HA   LEU  58           HA       LEU  58  -5.337   2.344  -6.011
  322   1HB   LEU  58          1HB       LEU  58  -3.863   3.515  -4.756
  323   2HB   LEU  58          2HB       LEU  58  -2.614   3.448  -5.978
  324    HG   LEU  58           HG       LEU  58  -4.739   5.241  -6.790
  325   1HD1  LEU  58          1HD1      LEU  58  -3.558   5.579  -4.061
  326   2HD1  LEU  58          2HD1      LEU  58  -4.014   6.979  -5.032
  327   3HD1  LEU  58          3HD1      LEU  58  -5.230   5.782  -4.586
  328   1HD2  LEU  58          1HD2      LEU  58  -1.900   4.983  -6.891
  329   2HD2  LEU  58          2HD2      LEU  58  -2.954   6.043  -7.828
  330   3HD2  LEU  58          3HD2      LEU  58  -2.313   6.584  -6.277
  331    H    HIS  59           H        HIS  59  -6.889   2.899  -7.380
  332    HA   HIS  59           HA       HIS  59  -7.998   3.798  -9.144
  333   1HB   HIS  59          1HB       HIS  59  -7.147   5.930  -8.782
  334   2HB   HIS  59          2HB       HIS  59  -5.492   5.438  -9.114
  335    HD1  HIS  59           HD1      HIS  59  -8.577   5.199 -11.336
  336    HD2  HIS  59           HD2      HIS  59  -4.789   6.903 -11.253
  337    HE1  HIS  59           HE1      HIS  59  -8.287   6.295 -13.584
  338    HE2  HIS  59           HE2      HIS  59  -5.974   7.297 -13.523
  339    H    ASN  60           H        ASN  60  -4.726   3.888 -10.561
  340    HA   ASN  60           HA       ASN  60  -5.353   1.554 -12.180
  341   1HB   ASN  60          1HB       ASN  60  -5.842   4.085 -13.205
  342   2HB   ASN  60          2HB       ASN  60  -4.257   3.679 -13.855
  343   1HD2  ASN  60          1HD2      ASN  60  -4.882   3.386 -15.937
  344   2HD2  ASN  60          2HD2      ASN  60  -5.920   2.106 -16.455
  345    H    LYS  61           H        LYS  61  -3.298   2.781 -10.163
  346    HA   LYS  61           HA       LYS  61  -0.864   2.152 -11.681
  347   1HB   LYS  61          1HB       LYS  61  -1.207   3.471  -8.977
  348   2HB   LYS  61          2HB       LYS  61   0.335   3.173  -9.768
  349   1HG   LYS  61          1HG       LYS  61  -0.107   4.750 -11.457
  350   2HG   LYS  61          2HG       LYS  61  -1.818   4.835 -11.036
  351   1HD   LYS  61          1HD       LYS  61  -1.457   6.355  -9.430
  352   2HD   LYS  61          2HD       LYS  61  -0.041   5.498  -8.818
  353   1HE   LYS  61          1HE       LYS  61   0.613   7.679  -9.630
  354   2HE   LYS  61          2HE       LYS  61   1.290   6.427 -10.671
  355   1HZ   LYS  61          1HZ       LYS  61  -1.289   7.653 -11.373
  356   2HZ   LYS  61          2HZ       LYS  61   0.143   8.492 -11.704
  357   3HZ   LYS  61          3HZ       LYS  61  -0.120   6.965 -12.383
  358    H    LEU  62           H        LEU  62   0.085   0.223 -11.379
  359    HA   LEU  62           HA       LEU  62  -0.811  -1.386  -9.088
  360   1HB   LEU  62          1HB       LEU  62   0.608  -2.428 -11.525
  361   2HB   LEU  62          2HB       LEU  62  -0.316  -3.332 -10.340
  362    HG   LEU  62           HG       LEU  62  -2.180  -1.565 -11.349
  363   1HD1  LEU  62          1HD1      LEU  62  -0.059  -1.909 -13.298
  364   2HD1  LEU  62          2HD1      LEU  62  -1.622  -2.459 -13.902
  365   3HD1  LEU  62          3HD1      LEU  62  -1.439  -0.809 -13.307
  366   1HD2  LEU  62          1HD2      LEU  62  -2.086  -4.164 -10.899
  367   2HD2  LEU  62          2HD2      LEU  62  -3.293  -3.458 -11.976
  368   3HD2  LEU  62          3HD2      LEU  62  -1.851  -4.220 -12.646
  369    H    GLY  63           H        GLY  63   0.581  -2.179  -7.618
  370   1HA   GLY  63          1HA       GLY  63   3.211  -1.039  -7.502
  371   2HA   GLY  63          2HA       GLY  63   3.234  -2.761  -7.847
  372    H    LEU  64           H        LEU  64   4.505  -2.115  -5.653
  373    HA   LEU  64           HA       LEU  64   2.791  -3.173  -3.546
  374   1HB   LEU  64          1HB       LEU  64   5.570  -2.686  -2.828
  375   2HB   LEU  64          2HB       LEU  64   4.629  -4.163  -2.736
  376    HG   LEU  64           HG       LEU  64   5.787  -3.178  -5.333
  377   1HD1  LEU  64          1HD1      LEU  64   7.233  -4.093  -3.074
  378   2HD1  LEU  64          2HD1      LEU  64   7.279  -5.354  -4.306
  379   3HD1  LEU  64          3HD1      LEU  64   7.832  -3.724  -4.690
  380   1HD2  LEU  64          1HD2      LEU  64   4.230  -5.469  -4.449
  381   2HD2  LEU  64          2HD2      LEU  64   4.525  -4.860  -6.077
  382   3HD2  LEU  64          3HD2      LEU  64   5.700  -5.929  -5.310
  383    H    PHE  65           H        PHE  65   2.737  -2.241  -1.421
  384    HA   PHE  65           HA       PHE  65   3.602   0.549  -1.219
  385   1HB   PHE  65          1HB       PHE  65   1.499   1.420  -0.737
  386   2HB   PHE  65          2HB       PHE  65   1.128   0.257  -2.008
  387    HD1  PHE  65           HD1      PHE  65  -0.176  -1.705  -1.542
  388    HD2  PHE  65           HD2      PHE  65   0.933   0.966   1.575
  389    HE1  PHE  65           HE1      PHE  65  -1.777  -2.806  -0.038
  390    HE2  PHE  65           HE2      PHE  65  -0.652  -0.120   3.089
  391    HZ   PHE  65           HZ       PHE  65  -2.021  -2.017   2.289
  392    HA   PRO  66           HA       PRO  66   4.462  -0.543   2.993
  393   1HB   PRO  66          1HB       PRO  66   4.299   1.784   4.272
  394   2HB   PRO  66          2HB       PRO  66   5.497   1.549   2.991
  395   1HG   PRO  66          1HG       PRO  66   2.809   2.876   2.839
  396   2HG   PRO  66          2HG       PRO  66   4.365   3.460   2.236
  397   1HD   PRO  66          1HD       PRO  66   2.543   2.228   0.643
  398   2HD   PRO  66          2HD       PRO  66   4.290   2.130   0.369
  399    H    ALA  67           H        ALA  67   2.974  -1.861   3.961
  400    HA   ALA  67           HA       ALA  67   0.277  -1.110   4.448
  401   1HB   ALA  67          1HB       ALA  67   1.478  -3.478   4.296
  402   2HB   ALA  67          2HB       ALA  67   1.480  -3.289   6.050
  403   3HB   ALA  67          3HB       ALA  67  -0.041  -3.239   5.160
  404    H    ASN  68           H        ASN  68   3.104  -0.217   5.988
  405    HA   ASN  68           HA       ASN  68   1.867   0.048   8.620
  406   1HB   ASN  68          1HB       ASN  68   3.954  -0.330   9.329
  407   2HB   ASN  68          2HB       ASN  68   4.556  -0.276   7.676
  408   1HD2  ASN  68          1HD2      ASN  68   4.899   1.946   6.792
  409   2HD2  ASN  68          2HD2      ASN  68   5.571   3.126   7.858
  410    H    TYR  69           H        TYR  69   2.879   1.964   5.877
  411    HA   TYR  69           HA       TYR  69   2.664   4.494   7.184
  412   1HB   TYR  69          1HB       TYR  69   3.692   3.632   4.776
  413   2HB   TYR  69          2HB       TYR  69   2.249   4.513   4.286
  414    HD1  TYR  69           HD1      TYR  69   2.597   6.716   3.728
  415    HD2  TYR  69           HD2      TYR  69   5.036   4.972   6.745
  416    HE1  TYR  69           HE1      TYR  69   3.813   8.839   3.964
  417    HE2  TYR  69           HE2      TYR  69   6.258   7.092   6.991
  418    HH   TYR  69           HH       TYR  69   6.353   9.418   4.858
  419    H    VAL  70           H        VAL  70   0.514   2.545   5.149
  420    HA   VAL  70           HA       VAL  70  -1.686   4.353   5.944
  421    HB   VAL  70           HB       VAL  70  -2.649   4.292   3.856
  422   1HG1  VAL  70          1HG1      VAL  70  -0.295   5.289   3.850
  423   2HG1  VAL  70          2HG1      VAL  70   0.183   3.839   2.968
  424   3HG1  VAL  70          3HG1      VAL  70  -1.028   4.926   2.287
  425   1HG2  VAL  70          1HG2      VAL  70  -1.484   1.596   3.720
  426   2HG2  VAL  70          2HG2      VAL  70  -3.045   2.191   3.151
  427   3HG2  VAL  70          3HG2      VAL  70  -1.595   2.448   2.180
  428    H    ALA  71           H        ALA  71  -3.779   3.368   6.227
  429    HA   ALA  71           HA       ALA  71  -3.632   0.481   6.838
  430   1HB   ALA  71          1HB       ALA  71  -4.472   2.743   8.472
  431   2HB   ALA  71          2HB       ALA  71  -4.003   1.112   8.949
  432   3HB   ALA  71          3HB       ALA  71  -5.656   1.437   8.428
  433    HA   PRO  72           HA       PRO  72  -6.978  -0.310   4.091
  434   1HB   PRO  72          1HB       PRO  72  -8.140  -2.029   6.211
  435   2HB   PRO  72          2HB       PRO  72  -7.722  -2.423   4.539
  436   1HG   PRO  72          1HG       PRO  72  -6.201  -3.277   6.520
  437   2HG   PRO  72          2HG       PRO  72  -5.462  -2.672   5.026
  438   1HD   PRO  72          1HD       PRO  72  -5.762  -1.290   7.675
  439   2HD   PRO  72          2HD       PRO  72  -4.371  -1.310   6.568
  440    H    MET  73           H        MET  73  -9.436  -0.655   4.138
  441    HA   MET  73           HA       MET  73 -10.809   1.078   6.032
  442   1HB   MET  73          1HB       MET  73  -9.891   2.302   3.897
  443   2HB   MET  73          2HB       MET  73 -11.254   1.527   3.105
  444   1HG   MET  73          1HG       MET  73 -12.525   2.582   5.210
  445   2HG   MET  73          2HG       MET  73 -11.199   3.734   5.067
  446   1HE   MET  73          1HE       MET  73 -13.998   1.887   3.488
  447   2HE   MET  73          2HE       MET  73 -14.681   2.970   2.276
  448   3HE   MET  73          3HE       MET  73 -13.297   1.954   1.871
  449    H    MET  74           H        MET  74 -12.130  -0.551   6.748
  450    HA   MET  74           HA       MET  74 -13.321  -2.467   5.005
  451   1HB   MET  74          1HB       MET  74 -12.876  -2.989   7.348
  452   2HB   MET  74          2HB       MET  74 -13.992  -1.729   7.860
  453   1HG   MET  74          1HG       MET  74 -15.711  -3.083   6.436
  454   2HG   MET  74          2HG       MET  74 -14.561  -4.399   6.669
  455   1HE   MET  74          1HE       MET  74 -17.385  -4.471   7.282
  456   2HE   MET  74          2HE       MET  74 -16.870  -5.765   8.363
  457   3HE   MET  74          3HE       MET  74 -17.880  -4.455   8.973
  458    H    ARG  75           H        ARG  75 -14.741  -1.831   3.516
  459    HA   ARG  75           HA       ARG  75 -16.740   0.193   4.221
  460   1HB   ARG  75          1HB       ARG  75 -17.191   0.186   1.731
  461   2HB   ARG  75          2HB       ARG  75 -15.609   0.774   2.221
  462   1HG   ARG  75          1HG       ARG  75 -14.557  -0.810   1.072
  463   2HG   ARG  75          2HG       ARG  75 -15.609  -2.079   1.702
  464   1HD   ARG  75          1HD       ARG  75 -16.587  -0.180  -0.397
  465   2HD   ARG  75          2HD       ARG  75 -15.613  -1.582  -0.839
  466    HE   ARG  75           HE       ARG  75 -18.311  -1.620   0.291
  467   1HH1  ARG  75          1HH1      ARG  75 -15.549  -3.346  -0.944
  468   2HH1  ARG  75          2HH1      ARG  75 -16.413  -4.830  -1.166
  469   1HH2  ARG  75          1HH2      ARG  75 -19.458  -3.571   0.002
  470   2HH2  ARG  75          2HH2      ARG  75 -18.635  -4.957  -0.630
  471    H1   ALA  76           H1       ALA  76   5.335   7.789  13.689
  472    H2   ALA  76           H2       ALA  76   6.806   8.613  13.573
  473    H3   ALA  76           H3       ALA  76   5.349   9.468  13.480
  474    HA   ALA  76           HA       ALA  76   4.852   8.714  11.379
  475   1HB   ALA  76          2HB       ALA  76   7.750   8.660  10.883
  476   2HB   ALA  76          3HB       ALA  76   6.495   9.682  10.183
  477   3HB   ALA  76          1HB       ALA  76   7.155  10.061  11.774
  478    HA   PRO  77           HA       PRO  77   5.056   4.250  11.107
  479   1HB   PRO  77          1HB       PRO  77   4.200   4.902   8.326
  480   2HB   PRO  77          2HB       PRO  77   3.512   3.747   9.472
  481   1HG   PRO  77          1HG       PRO  77   2.289   6.055   9.007
  482   2HG   PRO  77          2HG       PRO  77   2.378   5.401  10.655
  483   1HD   PRO  77          1HD       PRO  77   3.952   7.613   9.404
  484   2HD   PRO  77          2HD       PRO  77   3.311   7.478  11.054
  485    H    SER  78           H        SER  78   6.795   3.057  10.680
  486    HA   SER  78           HA       SER  78   8.599   3.927   8.522
  487   1HB   SER  78          1HB       SER  78  10.452   3.133   9.791
  488   2HB   SER  78          2HB       SER  78   9.452   4.062  10.908
  489    HG   SER  78           HG       SER  78   9.986   1.345  10.835
  490    H    ILE  79           H        ILE  79   8.697   2.663   6.836
  491    HA   ILE  79           HA       ILE  79   8.069  -0.192   7.169
  492    HB   ILE  79           HB       ILE  79   7.058   1.779   5.304
  493   1HG1  ILE  79          1HG1      ILE  79   5.802   0.157   6.768
  494   2HG1  ILE  79          2HG1      ILE  79   5.271   0.226   5.093
  495   1HG2  ILE  79          1HG2      ILE  79   8.411  -0.636   4.147
  496   2HG2  ILE  79          2HG2      ILE  79   7.065   0.164   3.336
  497   3HG2  ILE  79          3HG2      ILE  79   8.554   1.052   3.656
  498   1HD1  ILE  79          1HD1      ILE  79   7.064  -1.882   6.277
  499   2HD1  ILE  79          2HD1      ILE  79   5.342  -2.059   5.935
  500   3HD1  ILE  79          3HD1      ILE  79   6.484  -1.825   4.611
  501    H    ASP  80           H        ASP  80   9.470  -1.681   6.439
  502    HA   ASP  80           HA       ASP  80  11.977  -0.707   5.250
  503   1HB   ASP  80          1HB       ASP  80  11.501  -3.352   6.636
  504   2HB   ASP  80          2HB       ASP  80  13.052  -2.661   6.169
  505    H    ARG  81           H        ARG  81  12.484  -1.253   3.227
  506    HA   ARG  81           HA       ARG  81  10.668  -2.842   1.674
  507   1HB   ARG  81          1HB       ARG  81  13.351  -1.859   0.736
  508   2HB   ARG  81          2HB       ARG  81  11.907  -2.166  -0.218
  509   1HG   ARG  81          1HG       ARG  81  11.094  -0.234   1.572
  510   2HG   ARG  81          2HG       ARG  81  12.746   0.235   1.170
  511   1HD   ARG  81          1HD       ARG  81  10.492  -0.283  -0.765
  512   2HD   ARG  81          2HD       ARG  81  11.203   1.281  -0.369
  513    HE   ARG  81           HE       ARG  81  12.175  -0.587  -2.266
  514   1HH1  ARG  81          1HH1      ARG  81  13.248   1.706   0.126
  515   2HH1  ARG  81          2HH1      ARG  81  14.754   2.027  -0.669
  516   1HH2  ARG  81          1HH2      ARG  81  14.152  -0.173  -3.321
  517   2HH2  ARG  81          2HH2      ARG  81  15.267   0.959  -2.631
  518    H    SER  82           H        SER  82  13.177  -3.657   3.681
  519    HA   SER  82           HA       SER  82  14.398  -5.729   2.132
  520   1HB   SER  82          1HB       SER  82  14.831  -4.491   4.673
  521   2HB   SER  82          2HB       SER  82  14.764  -6.238   4.904
  522    HG   SER  82           HG       SER  82  16.503  -4.735   3.263
  523    H    THR  83           H        THR  83  11.353  -5.532   3.259
  524    HA   THR  83           HA       THR  83  11.160  -8.451   3.582
  525    HB   THR  83           HB       THR  83  10.858  -7.472   5.783
  526    HG1  THR  83           HG1      THR  83   9.379  -8.957   6.001
  527   1HG2  THR  83          1HG2      THR  83  10.036  -5.242   4.787
  528   2HG2  THR  83          2HG2      THR  83   8.441  -5.995   4.796
  529   3HG2  THR  83          3HG2      THR  83   9.327  -5.788   6.306
  530    H    LYS  84           H        LYS  84  10.767  -6.634   1.268
  531    HA   LYS  84           HA       LYS  84   8.083  -6.205   0.659
  532   1HB   LYS  84          1HB       LYS  84  10.632  -6.315  -0.766
  533   2HB   LYS  84          2HB       LYS  84   9.274  -6.818  -1.759
  534   1HG   LYS  84          1HG       LYS  84   8.530  -4.733  -1.974
  535   2HG   LYS  84          2HG       LYS  84   8.706  -4.403  -0.250
  536   1HD   LYS  84          1HD       LYS  84  10.198  -2.912  -1.239
  537   2HD   LYS  84          2HD       LYS  84  11.230  -4.262  -0.762
  538   1HE   LYS  84          1HE       LYS  84  10.019  -4.168  -3.496
  539   2HE   LYS  84          2HE       LYS  84  11.475  -3.244  -3.135
  540   1HZ   LYS  84          1HZ       LYS  84  12.382  -5.441  -2.261
  541   2HZ   LYS  84          2HZ       LYS  84  11.101  -6.174  -3.089
  542   3HZ   LYS  84          3HZ       LYS  84  12.249  -5.271  -3.938
  543    HA   PRO  85           HA       PRO  85   5.990  -9.986  -0.254
  544   1HB   PRO  85          1HB       PRO  85   5.990  -9.186  -3.136
  545   2HB   PRO  85          2HB       PRO  85   4.658  -9.774  -2.133
  546   1HG   PRO  85          1HG       PRO  85   4.883  -7.184  -2.709
  547   2HG   PRO  85          2HG       PRO  85   4.351  -7.719  -1.105
  548   1HD   PRO  85          1HD       PRO  85   6.958  -6.574  -1.948
  549   2HD   PRO  85          2HD       PRO  85   6.127  -6.463  -0.386
  550    H    ALA  86           H        ALA  86   6.992 -11.884  -0.242
  551    HA   ALA  86           HA       ALA  86   8.637 -12.674  -2.514
  552   1HB   ALA  86          3HB       ALA  86   9.966 -13.499  -0.091
  553   2HB   ALA  86          1HB       ALA  86   9.835 -11.742  -0.173
  554   3HB   ALA  86          2HB       ALA  86  10.609 -12.630  -1.485

  No H/Q in entry =         554
  Start of MODEL   10
    1    H1   GLY  16           H1       GLY  16 -12.181 -11.033   8.265
    2    H2   GLY  16           H2       GLY  16 -11.207 -11.455   9.583
    3    H3   GLY  16           H3       GLY  16 -12.423 -10.292   9.766
    4   1HA   GLY  16          1HA       GLY  16  -9.851  -9.705   9.351
    5   2HA   GLY  16          2HA       GLY  16 -11.187  -8.639   8.942
    6    H    ARG  17           H        ARG  17 -11.899  -8.517   6.774
    7    HA   ARG  17           HA       ARG  17 -10.132  -9.774   4.800
    8   1HB   ARG  17          1HB       ARG  17 -12.152  -8.608   3.350
    9   2HB   ARG  17          2HB       ARG  17 -12.101 -10.292   3.855
   10   1HG   ARG  17          1HG       ARG  17 -13.460  -9.850   5.749
   11   2HG   ARG  17          2HG       ARG  17 -13.332  -8.107   5.505
   12   1HD   ARG  17          1HD       ARG  17 -14.410  -9.686   3.249
   13   2HD   ARG  17          2HD       ARG  17 -15.431  -9.569   4.681
   14    HE   ARG  17           HE       ARG  17 -14.366  -7.063   3.688
   15   1HH1  ARG  17          1HH1      ARG  17 -17.021  -9.319   3.695
   16   2HH1  ARG  17          2HH1      ARG  17 -18.186  -8.149   3.172
   17   1HH2  ARG  17          1HH2      ARG  17 -15.894  -5.516   2.995
   18   2HH2  ARG  17          2HH2      ARG  17 -17.545  -5.989   2.774
   19    H    VAL  18           H        VAL  18  -9.165  -7.605   6.242
   20    HA   VAL  18           HA       VAL  18  -9.465  -5.111   4.984
   21    HB   VAL  18           HB       VAL  18  -7.045  -4.752   5.903
   22   1HG1  VAL  18          1HG1      VAL  18  -9.423  -4.160   6.864
   23   2HG1  VAL  18          2HG1      VAL  18  -8.990  -5.375   8.066
   24   3HG1  VAL  18          3HG1      VAL  18  -7.968  -3.955   7.839
   25   1HG2  VAL  18          1HG2      VAL  18  -6.656  -7.227   6.126
   26   2HG2  VAL  18          2HG2      VAL  18  -6.311  -6.279   7.573
   27   3HG2  VAL  18          3HG2      VAL  18  -7.804  -7.213   7.465
   28    H    ARG  19           H        ARG  19  -9.235  -4.926   2.828
   29    HA   ARG  19           HA       ARG  19  -6.648  -5.704   1.677
   30   1HB   ARG  19          1HB       ARG  19  -7.985  -6.320  -0.434
   31   2HB   ARG  19          2HB       ARG  19  -7.980  -7.465   0.901
   32   1HG   ARG  19          1HG       ARG  19 -10.177  -7.121   1.391
   33   2HG   ARG  19          2HG       ARG  19 -10.164  -5.458   0.805
   34   1HD   ARG  19          1HD       ARG  19 -10.069  -6.280  -1.501
   35   2HD   ARG  19          2HD       ARG  19 -10.092  -7.940  -0.908
   36    HE   ARG  19           HE       ARG  19 -12.322  -6.620   0.133
   37   1HH1  ARG  19          1HH1      ARG  19 -11.085  -7.655  -2.956
   38   2HH1  ARG  19          2HH1      ARG  19 -12.653  -7.870  -3.657
   39   1HH2  ARG  19          1HH2      ARG  19 -14.394  -6.900  -0.784
   40   2HH2  ARG  19          2HH2      ARG  19 -14.534  -7.440  -2.424
   41    H    TRP  20           H        TRP  20  -7.301  -3.125   2.505
   42    HA   TRP  20           HA       TRP  20  -7.305  -1.730  -0.057
   43   1HB   TRP  20          1HB       TRP  20  -9.066  -1.082   2.306
   44   2HB   TRP  20          2HB       TRP  20  -8.797   0.025   0.957
   45    HD1  TRP  20           HD1      TRP  20 -10.439  -3.311   1.832
   46    HE1  TRP  20           HE1      TRP  20 -12.107  -3.924  -0.049
   47    HE3  TRP  20           HE3      TRP  20  -9.364   0.440  -1.469
   48    HZ2  TRP  20           HZ2      TRP  20 -12.840  -2.935  -2.598
   49    HZ3  TRP  20           HZ3      TRP  20 -10.592   0.541  -3.597
   50    HH2  TRP  20           HH2      TRP  20 -12.300  -1.114  -4.147
   51    H    ALA  21           H        ALA  21  -6.332   0.422   0.075
   52    HA   ALA  21           HA       ALA  21  -4.673   0.771   2.466
   53   1HB   ALA  21          3HB       ALA  21  -2.750   0.754   1.310
   54   2HB   ALA  21          2HB       ALA  21  -3.450   1.626  -0.054
   55   3HB   ALA  21          1HB       ALA  21  -3.680  -0.117   0.091
   56    H    ARG  22           H        ARG  22  -5.576   2.549   3.353
   57    HA   ARG  22           HA       ARG  22  -6.075   4.825   1.565
   58   1HB   ARG  22          1HB       ARG  22  -8.078   4.464   2.713
   59   2HB   ARG  22          2HB       ARG  22  -7.262   4.066   4.222
   60   1HG   ARG  22          1HG       ARG  22  -6.596   6.426   4.450
   61   2HG   ARG  22          2HG       ARG  22  -7.463   6.796   2.959
   62   1HD   ARG  22          1HD       ARG  22  -9.518   5.816   4.098
   63   2HD   ARG  22          2HD       ARG  22  -8.586   5.882   5.593
   64    HE   ARG  22           HE       ARG  22  -8.385   8.397   4.564
   65   1HH1  ARG  22          1HH1      ARG  22 -11.041   6.300   5.401
   66   2HH1  ARG  22          2HH1      ARG  22 -12.115   7.604   5.785
   67   1HH2  ARG  22          1HH2      ARG  22  -9.791  10.117   5.070
   68   2HH2  ARG  22          2HH2      ARG  22 -11.405   9.773   5.597
   69    H    ALA  23           H        ALA  23  -4.406   6.060   1.433
   70    HA   ALA  23           HA       ALA  23  -2.355   6.160   3.402
   71   1HB   ALA  23          3HB       ALA  23  -1.205   7.596   1.922
   72   2HB   ALA  23          2HB       ALA  23  -2.057   6.425   0.916
   73   3HB   ALA  23          1HB       ALA  23  -2.695   8.059   1.099
   74    H    LEU  24           H        LEU  24  -2.111   7.436   5.074
   75    HA   LEU  24           HA       LEU  24  -3.941   9.707   5.435
   76   1HB   LEU  24          1HB       LEU  24  -2.127   8.880   7.628
   77   2HB   LEU  24          2HB       LEU  24  -3.805   9.387   7.693
   78    HG   LEU  24           HG       LEU  24  -3.319   6.753   6.448
   79   1HD1  LEU  24          1HD1      LEU  24  -2.207   7.405   9.027
   80   2HD1  LEU  24          2HD1      LEU  24  -3.453   6.164   9.164
   81   3HD1  LEU  24          3HD1      LEU  24  -2.077   5.919   8.088
   82   1HD2  LEU  24          1HD2      LEU  24  -5.525   8.048   7.117
   83   2HD2  LEU  24          2HD2      LEU  24  -5.415   6.291   7.217
   84   3HD2  LEU  24          3HD2      LEU  24  -5.220   7.271   8.670
   85    H    TYR  25           H        TYR  25  -0.809   8.770   4.708
   86    HA   TYR  25           HA       TYR  25   0.162  11.533   4.746
   87   1HB   TYR  25          1HB       TYR  25   2.044   9.286   5.402
   88   2HB   TYR  25          2HB       TYR  25   2.203  11.001   5.756
   89    HD1  TYR  25           HD1      TYR  25   1.497   7.845   7.122
   90    HD2  TYR  25           HD2      TYR  25   0.401  11.945   7.449
   91    HE1  TYR  25           HE1      TYR  25   0.694   7.444   9.411
   92    HE2  TYR  25           HE2      TYR  25  -0.410  11.551   9.737
   93    HH   TYR  25           HH       TYR  25  -0.471  10.089  11.445
   94    H    ASP  26           H        ASP  26   2.410  11.448   3.445
   95    HA   ASP  26           HA       ASP  26   1.819  10.875   0.802
   96   1HB   ASP  26          1HB       ASP  26   3.876  12.122   2.088
   97   2HB   ASP  26          2HB       ASP  26   4.678  10.673   1.488
   98    H    PHE  27           H        PHE  27   3.695   9.436  -0.437
   99    HA   PHE  27           HA       PHE  27   3.120   6.705   0.466
  100   1HB   PHE  27          1HB       PHE  27   3.413   6.008  -1.787
  101   2HB   PHE  27          2HB       PHE  27   2.447   7.481  -1.838
  102    HD1  PHE  27           HD1      PHE  27   3.435   9.582  -2.617
  103    HD2  PHE  27           HD2      PHE  27   5.599   5.920  -2.709
  104    HE1  PHE  27           HE1      PHE  27   5.053  10.588  -4.176
  105    HE2  PHE  27           HE2      PHE  27   7.225   6.921  -4.270
  106    HZ   PHE  27           HZ       PHE  27   6.952   9.256  -5.004
  107    H    GLU  28           H        GLU  28   4.695   5.114   0.610
  108    HA   GLU  28           HA       GLU  28   7.422   6.120   1.007
  109   1HB   GLU  28          1HB       GLU  28   6.295   3.443   1.822
  110   2HB   GLU  28          2HB       GLU  28   7.806   4.167   2.352
  111   1HG   GLU  28          1HG       GLU  28   5.674   5.955   2.952
  112   2HG   GLU  28          2HG       GLU  28   5.260   4.347   3.543
  113    H    ALA  29           H        ALA  29   5.940   5.071  -1.580
  114    HA   ALA  29           HA       ALA  29   7.425   2.771  -2.351
  115   1HB   ALA  29          2HB       ALA  29   6.526   3.120  -4.562
  116   2HB   ALA  29          3HB       ALA  29   6.053   4.767  -4.146
  117   3HB   ALA  29          1HB       ALA  29   5.261   3.398  -3.367
  118    H    LEU  30           H        LEU  30   9.581   2.901  -2.335
  119    HA   LEU  30           HA       LEU  30  10.867   5.189  -3.657
  120   1HB   LEU  30          1HB       LEU  30  12.330   3.147  -2.023
  121   2HB   LEU  30          2HB       LEU  30  12.776   4.807  -2.366
  122    HG   LEU  30           HG       LEU  30  10.441   4.068  -0.610
  123   1HD1  LEU  30          1HD1      LEU  30  13.323   4.124  -0.042
  124   2HD1  LEU  30          2HD1      LEU  30  12.311   5.015   1.094
  125   3HD1  LEU  30          3HD1      LEU  30  12.012   3.301   0.802
  126   1HD2  LEU  30          1HD2      LEU  30  11.906   6.609  -1.242
  127   2HD2  LEU  30          2HD2      LEU  30  10.177   6.275  -1.337
  128   3HD2  LEU  30          3HD2      LEU  30  10.960   6.428   0.236
  129    H    GLU  31           H        GLU  31  10.004   1.993  -4.125
  130    HA   GLU  31           HA       GLU  31  12.207   1.481  -6.002
  131   1HB   GLU  31          1HB       GLU  31  10.539  -0.202  -4.311
  132   2HB   GLU  31          2HB       GLU  31  10.586  -0.777  -5.972
  133   1HG   GLU  31          1HG       GLU  31  13.212  -0.044  -4.981
  134   2HG   GLU  31          2HG       GLU  31  12.440  -1.290  -4.001
  135    H    GLU  32           H        GLU  32  11.429   0.142  -7.990
  136    HA   GLU  32           HA       GLU  32   9.452   1.793  -9.341
  137   1HB   GLU  32          1HB       GLU  32  10.229   0.614 -11.385
  138   2HB   GLU  32          2HB       GLU  32  11.528   1.417 -10.514
  139   1HG   GLU  32          1HG       GLU  32  11.592  -1.073  -9.418
  140   2HG   GLU  32          2HG       GLU  32  11.106  -1.420 -11.078
  141    H    ASP  33           H        ASP  33   9.838  -1.460  -8.152
  142    HA   ASP  33           HA       ASP  33   7.553  -2.512  -9.554
  143   1HB   ASP  33          1HB       ASP  33   9.736  -3.587  -8.105
  144   2HB   ASP  33          2HB       ASP  33   8.270  -4.099  -7.271
  145    H    GLU  34           H        GLU  34   7.693  -0.301  -7.224
  146    HA   GLU  34           HA       GLU  34   5.443  -1.376  -5.676
  147   1HB   GLU  34          1HB       GLU  34   7.173   1.025  -5.062
  148   2HB   GLU  34          2HB       GLU  34   5.962   0.310  -4.006
  149   1HG   GLU  34          1HG       GLU  34   7.266  -1.662  -3.721
  150   2HG   GLU  34          2HG       GLU  34   8.404  -1.157  -4.968
  151    H    LEU  35           H        LEU  35   4.266   0.859  -4.751
  152    HA   LEU  35           HA       LEU  35   3.493   2.470  -7.067
  153   1HB   LEU  35          1HB       LEU  35   1.787   0.900  -7.179
  154   2HB   LEU  35          2HB       LEU  35   1.729   0.685  -5.441
  155    HG   LEU  35           HG       LEU  35   0.846   3.143  -5.428
  156   1HD1  LEU  35          1HD1      LEU  35   0.792   2.414  -8.281
  157   2HD1  LEU  35          2HD1      LEU  35  -0.676   3.154  -7.647
  158   3HD1  LEU  35          3HD1      LEU  35   0.866   3.999  -7.510
  159   1HD2  LEU  35          1HD2      LEU  35  -0.313   0.745  -5.123
  160   2HD2  LEU  35          2HD2      LEU  35  -1.203   2.266  -5.053
  161   3HD2  LEU  35          3HD2      LEU  35  -1.191   1.318  -6.541
  162    H    GLY  36           H        GLY  36   2.954   4.565  -6.569
  163   1HA   GLY  36          1HA       GLY  36   3.752   6.278  -5.014
  164   2HA   GLY  36          2HA       GLY  36   3.161   5.264  -3.712
  165    H    PHE  37           H        PHE  37   1.580   6.304  -2.748
  166    HA   PHE  37           HA       PHE  37  -0.559   7.468  -4.406
  167   1HB   PHE  37          1HB       PHE  37  -1.739   7.200  -1.998
  168   2HB   PHE  37          2HB       PHE  37  -1.799   5.957  -3.240
  169    HD1  PHE  37           HD1      PHE  37  -1.314   3.818  -2.596
  170    HD2  PHE  37           HD2      PHE  37   0.426   7.054  -0.450
  171    HE1  PHE  37           HE1      PHE  37  -0.291   2.224  -1.030
  172    HE2  PHE  37           HE2      PHE  37   1.457   5.464   1.119
  173    HZ   PHE  37           HZ       PHE  37   1.098   3.044   0.831
  174    H    ARG  38           H        ARG  38  -1.897   8.981  -2.680
  175    HA   ARG  38           HA       ARG  38   0.085  10.791  -1.474
  176   1HB   ARG  38          1HB       ARG  38  -2.348  11.795  -2.934
  177   2HB   ARG  38          2HB       ARG  38  -0.960  12.717  -2.372
  178   1HG   ARG  38          1HG       ARG  38   0.271  10.994  -4.027
  179   2HG   ARG  38          2HG       ARG  38  -1.302  11.116  -4.815
  180   1HD   ARG  38          1HD       ARG  38  -1.096  13.527  -4.919
  181   2HD   ARG  38          2HD       ARG  38   0.424  13.458  -4.029
  182    HE   ARG  38           HE       ARG  38   0.116  12.228  -6.689
  183   1HH1  ARG  38          1HH1      ARG  38   1.817  14.276  -4.443
  184   2HH1  ARG  38          2HH1      ARG  38   3.156  14.550  -5.506
  185   1HH2  ARG  38          1HH2      ARG  38   1.875  12.585  -8.099
  186   2HH2  ARG  38          2HH2      ARG  38   3.188  13.591  -7.584
  187    H    SER  39           H        SER  39  -0.866  12.300   0.116
  188    HA   SER  39           HA       SER  39  -2.142  11.054   2.177
  189   1HB   SER  39          1HB       SER  39  -2.242  13.110   3.230
  190   2HB   SER  39          2HB       SER  39  -1.044  13.441   1.979
  191    HG   SER  39           HG       SER  39  -2.661  15.058   2.075
  192    H    GLY  40           H        GLY  40  -4.188  10.732   2.887
  193   1HA   GLY  40          1HA       GLY  40  -6.527  11.946   2.038
  194   2HA   GLY  40          2HA       GLY  40  -6.440  10.347   2.751
  195    H    GLU  41           H        GLU  41  -5.549   8.640   1.087
  196    HA   GLU  41           HA       GLU  41  -7.220   8.954  -1.304
  197   1HB   GLU  41          1HB       GLU  41  -4.316   8.231  -1.204
  198   2HB   GLU  41          2HB       GLU  41  -5.333   7.579  -2.481
  199   1HG   GLU  41          1HG       GLU  41  -5.996  10.184  -2.627
  200   2HG   GLU  41          2HG       GLU  41  -4.330  10.310  -2.064
  201    H    VAL  42           H        VAL  42  -7.637   6.856  -2.413
  202    HA   VAL  42           HA       VAL  42  -7.793   4.669  -0.439
  203    HB   VAL  42           HB       VAL  42  -9.769   5.122  -2.674
  204   1HG1  VAL  42          1HG1      VAL  42  -9.343   3.065  -0.666
  205   2HG1  VAL  42          2HG1      VAL  42 -10.976   3.727  -0.620
  206   3HG1  VAL  42          3HG1      VAL  42 -10.345   3.040  -2.117
  207   1HG2  VAL  42          1HG2      VAL  42  -9.969   5.969   0.216
  208   2HG2  VAL  42          2HG2      VAL  42  -9.900   7.030  -1.191
  209   3HG2  VAL  42          3HG2      VAL  42 -11.301   5.988  -0.941
  210    H    VAL  43           H        VAL  43  -7.012   2.738  -1.015
  211    HA   VAL  43           HA       VAL  43  -6.402   2.251  -3.854
  212    HB   VAL  43           HB       VAL  43  -4.597   1.408  -1.587
  213   1HG1  VAL  43          1HG1      VAL  43  -4.494   0.056  -3.635
  214   2HG1  VAL  43          2HG1      VAL  43  -4.138   1.512  -4.565
  215   3HG1  VAL  43          3HG1      VAL  43  -2.995   0.943  -3.349
  216   1HG2  VAL  43          1HG2      VAL  43  -4.848   3.988  -2.890
  217   2HG2  VAL  43          2HG2      VAL  43  -3.921   3.529  -1.462
  218   3HG2  VAL  43          3HG2      VAL  43  -3.233   3.301  -3.069
  219    H    GLU  44           H        GLU  44  -6.701   0.167  -4.580
  220    HA   GLU  44           HA       GLU  44  -8.135  -1.619  -2.751
  221   1HB   GLU  44          1HB       GLU  44  -9.204  -1.086  -4.900
  222   2HB   GLU  44          2HB       GLU  44  -7.817  -1.736  -5.758
  223   1HG   GLU  44          1HG       GLU  44  -8.291  -3.937  -4.648
  224   2HG   GLU  44          2HG       GLU  44  -9.801  -3.231  -4.073
  225    H    VAL  45           H        VAL  45  -6.900  -3.044  -1.699
  226    HA   VAL  45           HA       VAL  45  -4.312  -3.828  -2.684
  227    HB   VAL  45           HB       VAL  45  -5.836  -4.833  -0.276
  228   1HG1  VAL  45          1HG1      VAL  45  -3.084  -5.368  -1.310
  229   2HG1  VAL  45          2HG1      VAL  45  -3.398  -5.392   0.425
  230   3HG1  VAL  45          3HG1      VAL  45  -4.270  -6.491  -0.642
  231   1HG2  VAL  45          1HG2      VAL  45  -4.148  -2.470  -0.769
  232   2HG2  VAL  45          2HG2      VAL  45  -5.427  -2.727   0.418
  233   3HG2  VAL  45          3HG2      VAL  45  -3.809  -3.360   0.715
  234    H    LEU  46           H        LEU  46  -3.854  -5.506  -3.912
  235    HA   LEU  46           HA       LEU  46  -5.941  -7.495  -4.422
  236   1HB   LEU  46          1HB       LEU  46  -3.826  -6.240  -6.003
  237   2HB   LEU  46          2HB       LEU  46  -3.911  -7.979  -6.219
  238    HG   LEU  46           HG       LEU  46  -6.363  -6.266  -6.483
  239   1HD1  LEU  46          1HD1      LEU  46  -4.215  -6.781  -8.516
  240   2HD1  LEU  46          2HD1      LEU  46  -5.877  -6.413  -8.976
  241   3HD1  LEU  46          3HD1      LEU  46  -4.941  -5.245  -8.045
  242   1HD2  LEU  46          1HD2      LEU  46  -5.962  -8.994  -6.477
  243   2HD2  LEU  46          2HD2      LEU  46  -7.370  -8.150  -7.122
  244   3HD2  LEU  46          3HD2      LEU  46  -6.040  -8.592  -8.193
  245    H    ASP  47           H        ASP  47  -3.399  -7.178  -2.407
  246    HA   ASP  47           HA       ASP  47  -3.224  -9.980  -1.905
  247   1HB   ASP  47          1HB       ASP  47  -1.654  -9.520  -3.909
  248   2HB   ASP  47          2HB       ASP  47  -0.608  -8.746  -2.723
  249    H    SER  48           H        SER  48  -4.023  -8.818   0.047
  250    HA   SER  48           HA       SER  48  -2.184  -7.232   1.593
  251   1HB   SER  48          1HB       SER  48  -4.030  -8.047   3.408
  252   2HB   SER  48          2HB       SER  48  -4.269  -6.680   2.321
  253    HG   SER  48           HG       SER  48  -5.958  -7.784   1.721
  254    H    SER  49           H        SER  49  -2.159 -10.448   0.854
  255    HA   SER  49           HA       SER  49  -1.440 -11.416   3.462
  256   1HB   SER  49          1HB       SER  49  -0.648 -12.761   0.885
  257   2HB   SER  49          2HB       SER  49  -1.055 -13.499   2.435
  258    HG   SER  49           HG       SER  49  -3.030 -11.993   1.175
  259    H    ASN  50           H        ASN  50   0.291 -10.779   4.398
  260    HA   ASN  50           HA       ASN  50   2.897 -11.191   3.803
  261   1HB   ASN  50          1HB       ASN  50   1.829  -8.914   2.318
  262   2HB   ASN  50          2HB       ASN  50   3.235  -8.489   3.290
  263   1HD2  ASN  50          1HD2      ASN  50   2.574  -8.958   0.329
  264   2HD2  ASN  50          2HD2      ASN  50   3.889  -9.927  -0.225
  265    HA   PRO  51           HA       PRO  51   2.915  -9.250   7.775
  266   1HB   PRO  51          1HB       PRO  51   5.518  -9.230   8.373
  267   2HB   PRO  51          2HB       PRO  51   4.649 -10.745   8.107
  268   1HG   PRO  51          1HG       PRO  51   6.561  -9.323   6.333
  269   2HG   PRO  51          2HG       PRO  51   6.258 -11.059   6.495
  270   1HD   PRO  51          1HD       PRO  51   5.222  -9.315   4.509
  271   2HD   PRO  51          2HD       PRO  51   4.770 -11.008   4.787
  272    H    SER  52           H        SER  52   3.876  -7.378   5.187
  273    HA   SER  52           HA       SER  52   3.686  -4.982   6.711
  274   1HB   SER  52          1HB       SER  52   6.348  -6.082   6.244
  275   2HB   SER  52          2HB       SER  52   6.174  -4.429   5.653
  276    HG   SER  52           HG       SER  52   5.606  -3.769   7.690
  277    H    TRP  53           H        TRP  53   5.179  -6.171   3.686
  278    HA   TRP  53           HA       TRP  53   3.980  -3.884   2.301
  279   1HB   TRP  53          1HB       TRP  53   6.293  -5.686   1.746
  280   2HB   TRP  53          2HB       TRP  53   5.475  -4.930   0.383
  281    HD1  TRP  53           HD1      TRP  53   7.498  -4.011   3.525
  282    HE1  TRP  53           HE1      TRP  53   8.473  -1.653   3.196
  283    HE3  TRP  53           HE3      TRP  53   5.185  -2.783  -0.863
  284    HZ2  TRP  53           HZ2      TRP  53   8.286   0.450   1.320
  285    HZ3  TRP  53           HZ3      TRP  53   5.636  -0.581  -1.858
  286    HH2  TRP  53           HH2      TRP  53   7.154   1.003  -0.787
  287    H    TRP  54           H        TRP  54   2.091  -4.169   1.326
  288    HA   TRP  54           HA       TRP  54   1.421  -6.856   0.323
  289   1HB   TRP  54          1HB       TRP  54  -0.518  -4.602   0.877
  290   2HB   TRP  54          2HB       TRP  54  -0.905  -6.272   0.478
  291    HD1  TRP  54           HD1      TRP  54   1.421  -7.299   2.686
  292    HE1  TRP  54           HE1      TRP  54   0.630  -7.432   5.125
  293    HE3  TRP  54           HE3      TRP  54  -2.603  -4.174   2.395
  294    HZ2  TRP  54           HZ2      TRP  54  -1.416  -6.329   6.730
  295    HZ3  TRP  54           HZ3      TRP  54  -3.924  -3.757   4.428
  296    HH2  TRP  54           HH2      TRP  54  -3.342  -4.813   6.551
  297    H    THR  55           H        THR  55   0.623  -7.117  -1.760
  298    HA   THR  55           HA       THR  55   1.381  -5.010  -3.621
  299    HB   THR  55           HB       THR  55   0.234  -7.635  -4.499
  300    HG1  THR  55           HG1      THR  55   2.893  -7.824  -4.321
  301   1HG2  THR  55          1HG2      THR  55   1.050  -5.589  -5.951
  302   2HG2  THR  55          2HG2      THR  55   2.634  -6.309  -5.666
  303   3HG2  THR  55          3HG2      THR  55   1.369  -7.249  -6.457
  304    H    GLY  56           H        GLY  56  -0.059  -3.542  -4.230
  305   1HA   GLY  56          1HA       GLY  56  -2.557  -3.038  -3.716
  306   2HA   GLY  56          2HA       GLY  56  -2.813  -4.402  -4.797
  307    H    ARG  57           H        ARG  57  -3.912  -1.948  -5.414
  308    HA   ARG  57           HA       ARG  57  -2.127  -0.623  -7.288
  309   1HB   ARG  57          1HB       ARG  57  -3.825  -0.896  -9.155
  310   2HB   ARG  57          2HB       ARG  57  -2.877  -2.324  -8.742
  311   1HG   ARG  57          1HG       ARG  57  -4.688  -3.485  -8.136
  312   2HG   ARG  57          2HG       ARG  57  -5.393  -2.118  -7.272
  313   1HD   ARG  57          1HD       ARG  57  -6.858  -1.930  -8.934
  314   2HD   ARG  57          2HD       ARG  57  -5.525  -1.414  -9.963
  315    HE   ARG  57           HE       ARG  57  -5.673  -4.245  -9.830
  316   1HH1  ARG  57          1HH1      ARG  57  -7.187  -1.459 -11.277
  317   2HH1  ARG  57          2HH1      ARG  57  -7.768  -2.330 -12.657
  318   1HH2  ARG  57          1HH2      ARG  57  -6.436  -5.400 -11.643
  319   2HH2  ARG  57          2HH2      ARG  57  -7.342  -4.571 -12.864
  320    H    LEU  58           H        LEU  58  -2.540   1.475  -7.469
  321    HA   LEU  58           HA       LEU  58  -4.964   2.527  -6.192
  322   1HB   LEU  58          1HB       LEU  58  -2.941   3.421  -5.273
  323   2HB   LEU  58          2HB       LEU  58  -2.300   3.770  -6.866
  324    HG   LEU  58           HG       LEU  58  -4.792   5.176  -6.449
  325   1HD1  LEU  58          1HD1      LEU  58  -2.822   5.209  -4.255
  326   2HD1  LEU  58          2HD1      LEU  58  -3.450   6.768  -4.786
  327   3HD1  LEU  58          3HD1      LEU  58  -4.558   5.513  -4.231
  328   1HD2  LEU  58          1HD2      LEU  58  -2.924   5.598  -8.106
  329   2HD2  LEU  58          2HD2      LEU  58  -3.558   7.010  -7.262
  330   3HD2  LEU  58          3HD2      LEU  58  -2.024   6.298  -6.762
  331    H    HIS  59           H        HIS  59  -6.586   3.047  -7.494
  332    HA   HIS  59           HA       HIS  59  -7.785   3.855  -9.248
  333   1HB   HIS  59          1HB       HIS  59  -5.360   5.431  -9.274
  334   2HB   HIS  59          2HB       HIS  59  -5.949   5.174 -10.913
  335    HD1  HIS  59           HD1      HIS  59  -8.911   5.437 -10.655
  336    HD2  HIS  59           HD2      HIS  59  -6.277   7.862  -8.545
  337    HE1  HIS  59           HE1      HIS  59 -10.220   7.502 -10.068
  338    HE2  HIS  59           HE2      HIS  59  -8.625   8.929  -8.742
  339    H    ASN  60           H        ASN  60  -4.777   3.651 -11.092
  340    HA   ASN  60           HA       ASN  60  -5.679   1.151 -12.312
  341   1HB   ASN  60          1HB       ASN  60  -6.128   3.575 -13.569
  342   2HB   ASN  60          2HB       ASN  60  -4.630   3.017 -14.306
  343   1HD2  ASN  60          1HD2      ASN  60  -5.692   2.743 -16.283
  344   2HD2  ASN  60          2HD2      ASN  60  -6.743   1.401 -16.568
  345    H    LYS  61           H        LYS  61  -3.361   2.521 -10.680
  346    HA   LYS  61           HA       LYS  61  -1.136   1.465 -12.284
  347   1HB   LYS  61          1HB       LYS  61  -1.087   3.274  -9.857
  348   2HB   LYS  61          2HB       LYS  61   0.321   2.748 -10.767
  349   1HG   LYS  61          1HG       LYS  61  -0.636   3.887 -12.768
  350   2HG   LYS  61          2HG       LYS  61  -1.899   4.536 -11.720
  351   1HD   LYS  61          1HD       LYS  61  -0.219   6.211 -11.915
  352   2HD   LYS  61          2HD       LYS  61  -0.077   5.520 -10.298
  353   1HE   LYS  61          1HE       LYS  61   2.126   5.573 -10.965
  354   2HE   LYS  61          2HE       LYS  61   1.659   3.939 -11.434
  355   1HZ   LYS  61          1HZ       LYS  61   1.146   4.954 -13.684
  356   2HZ   LYS  61          2HZ       LYS  61   2.015   6.310 -13.164
  357   3HZ   LYS  61          3HZ       LYS  61   2.778   4.805 -13.271
  358    H    LEU  62           H        LEU  62  -0.132  -0.365 -11.656
  359    HA   LEU  62           HA       LEU  62  -0.994  -1.557  -9.118
  360   1HB   LEU  62          1HB       LEU  62   0.410  -2.932 -11.400
  361   2HB   LEU  62          2HB       LEU  62  -0.402  -3.684 -10.041
  362    HG   LEU  62           HG       LEU  62  -2.206  -1.973 -11.534
  363   1HD1  LEU  62          1HD1      LEU  62  -0.397  -3.666 -13.056
  364   2HD1  LEU  62          2HD1      LEU  62  -2.096  -4.058 -13.321
  365   3HD1  LEU  62          3HD1      LEU  62  -1.515  -2.417 -13.605
  366   1HD2  LEU  62          1HD2      LEU  62  -2.377  -4.149  -9.906
  367   2HD2  LEU  62          2HD2      LEU  62  -3.676  -3.561 -10.946
  368   3HD2  LEU  62          3HD2      LEU  62  -2.630  -4.870 -11.495
  369    H    GLY  63           H        GLY  63   0.375  -2.033  -7.520
  370   1HA   GLY  63          1HA       GLY  63   2.929  -0.832  -7.424
  371   2HA   GLY  63          2HA       GLY  63   3.100  -2.554  -7.731
  372    H    LEU  64           H        LEU  64   4.287  -2.274  -5.612
  373    HA   LEU  64           HA       LEU  64   2.558  -3.210  -3.500
  374   1HB   LEU  64          1HB       LEU  64   5.323  -2.669  -2.747
  375   2HB   LEU  64          2HB       LEU  64   4.403  -4.157  -2.646
  376    HG   LEU  64           HG       LEU  64   5.522  -3.217  -5.269
  377   1HD1  LEU  64          1HD1      LEU  64   7.189  -3.529  -3.209
  378   2HD1  LEU  64          2HD1      LEU  64   7.034  -5.215  -3.702
  379   3HD1  LEU  64          3HD1      LEU  64   7.600  -4.008  -4.856
  380   1HD2  LEU  64          1HD2      LEU  64   4.229  -5.632  -4.200
  381   2HD2  LEU  64          2HD2      LEU  64   4.262  -4.990  -5.843
  382   3HD2  LEU  64          3HD2      LEU  64   5.631  -5.919  -5.232
  383    H    PHE  65           H        PHE  65   2.707  -2.328  -1.274
  384    HA   PHE  65           HA       PHE  65   3.453   0.473  -1.059
  385   1HB   PHE  65          1HB       PHE  65   1.350   1.358  -0.623
  386   2HB   PHE  65          2HB       PHE  65   0.991   0.205  -1.907
  387    HD1  PHE  65           HD1      PHE  65   0.787   0.856   1.697
  388    HD2  PHE  65           HD2      PHE  65  -0.402  -1.695  -1.489
  389    HE1  PHE  65           HE1      PHE  65  -0.836  -0.215   3.179
  390    HE2  PHE  65           HE2      PHE  65  -2.040  -2.781  -0.015
  391    HZ   PHE  65           HZ       PHE  65  -2.263  -2.045   2.331
  392    HA   PRO  66           HA       PRO  66   4.213  -0.697   3.156
  393   1HB   PRO  66          1HB       PRO  66   4.073   1.620   4.458
  394   2HB   PRO  66          2HB       PRO  66   5.299   1.375   3.207
  395   1HG   PRO  66          1HG       PRO  66   2.644   2.760   3.000
  396   2HG   PRO  66          2HG       PRO  66   4.228   3.318   2.444
  397   1HD   PRO  66          1HD       PRO  66   2.425   2.147   0.788
  398   2HD   PRO  66          2HD       PRO  66   4.175   2.006   0.564
  399    H    ALA  67           H        ALA  67   2.656  -1.986   4.092
  400    HA   ALA  67           HA       ALA  67  -0.016  -1.090   4.561
  401   1HB   ALA  67          3HB       ALA  67   0.898  -3.517   4.265
  402   2HB   ALA  67          1HB       ALA  67   1.141  -3.431   6.010
  403   3HB   ALA  67          2HB       ALA  67  -0.473  -3.213   5.333
  404    H    ASN  68           H        ASN  68   2.855  -0.426   6.086
  405    HA   ASN  68           HA       ASN  68   1.712  -0.177   8.758
  406   1HB   ASN  68          1HB       ASN  68   3.812  -0.697   9.339
  407   2HB   ASN  68          2HB       ASN  68   4.365  -0.524   7.679
  408   1HD2  ASN  68          1HD2      ASN  68   4.714   1.766   6.964
  409   2HD2  ASN  68          2HD2      ASN  68   5.452   2.838   8.098
  410    H    TYR  69           H        TYR  69   2.567   1.737   5.992
  411    HA   TYR  69           HA       TYR  69   2.476   4.257   7.389
  412   1HB   TYR  69          1HB       TYR  69   3.610   3.474   5.039
  413   2HB   TYR  69          2HB       TYR  69   2.157   4.280   4.459
  414    HD1  TYR  69           HD1      TYR  69   4.579   4.973   7.221
  415    HD2  TYR  69           HD2      TYR  69   2.634   6.409   3.726
  416    HE1  TYR  69           HE1      TYR  69   5.687   7.150   7.510
  417    HE2  TYR  69           HE2      TYR  69   3.734   8.591   4.002
  418    HH   TYR  69           HH       TYR  69   5.830   9.255   6.783
  419    H    VAL  70           H        VAL  70   0.323   2.381   5.299
  420    HA   VAL  70           HA       VAL  70  -1.834   4.270   6.016
  421    HB   VAL  70           HB       VAL  70  -2.775   4.159   3.911
  422   1HG1  VAL  70          1HG1      VAL  70  -0.343   5.085   4.002
  423   2HG1  VAL  70          2HG1      VAL  70   0.030   3.682   3.000
  424   3HG1  VAL  70          3HG1      VAL  70  -1.144   4.876   2.445
  425   1HG2  VAL  70          1HG2      VAL  70  -1.261   1.587   3.507
  426   2HG2  VAL  70          2HG2      VAL  70  -3.006   1.808   3.636
  427   3HG2  VAL  70          3HG2      VAL  70  -2.144   2.410   2.220
  428    H    ALA  71           H        ALA  71  -3.981   3.367   6.214
  429    HA   ALA  71           HA       ALA  71  -3.945   0.518   7.000
  430   1HB   ALA  71          2HB       ALA  71  -5.889   2.509   8.116
  431   2HB   ALA  71          3HB       ALA  71  -5.368   0.964   8.789
  432   3HB   ALA  71          1HB       ALA  71  -4.268   2.342   8.793
  433    HA   PRO  72           HA       PRO  72  -7.002  -0.296   3.942
  434   1HB   PRO  72          1HB       PRO  72  -8.250  -2.208   5.806
  435   2HB   PRO  72          2HB       PRO  72  -7.548  -2.483   4.208
  436   1HG   PRO  72          1HG       PRO  72  -6.309  -3.304   6.404
  437   2HG   PRO  72          2HG       PRO  72  -5.395  -2.641   5.036
  438   1HD   PRO  72          1HD       PRO  72  -6.162  -1.307   7.618
  439   2HD   PRO  72          2HD       PRO  72  -4.616  -1.250   6.742
  440    H    MET  73           H        MET  73  -8.830   0.473   3.320
  441    HA   MET  73           HA       MET  73 -10.569   1.854   5.170
  442   1HB   MET  73          1HB       MET  73  -9.696   2.487   2.733
  443   2HB   MET  73          2HB       MET  73 -11.149   1.621   2.262
  444   1HG   MET  73          1HG       MET  73 -11.278   3.785   4.321
  445   2HG   MET  73          2HG       MET  73 -11.253   4.178   2.603
  446   1HE   MET  73          1HE       MET  73 -12.844   2.586   0.956
  447   2HE   MET  73          2HE       MET  73 -14.555   2.905   1.235
  448   3HE   MET  73          3HE       MET  73 -13.412   4.244   1.149
  449    H    MET  74           H        MET  74 -11.845   0.387   6.257
  450    HA   MET  74           HA       MET  74 -13.092  -1.804   4.834
  451   1HB   MET  74          1HB       MET  74 -12.222  -1.659   7.340
  452   2HB   MET  74          2HB       MET  74 -13.871  -1.115   7.624
  453   1HG   MET  74          1HG       MET  74 -14.259  -3.315   6.059
  454   2HG   MET  74          2HG       MET  74 -12.843  -3.775   7.002
  455   1HE   MET  74          1HE       MET  74 -15.480  -5.384   7.091
  456   2HE   MET  74          2HE       MET  74 -14.177  -5.808   8.201
  457   3HE   MET  74          3HE       MET  74 -15.819  -5.600   8.808
  458    H    ARG  75           H        ARG  75 -14.789  -1.402   3.599
  459    HA   ARG  75           HA       ARG  75 -16.470   0.851   3.841
  460   1HB   ARG  75          1HB       ARG  75 -16.372  -1.592   2.185
  461   2HB   ARG  75          2HB       ARG  75 -17.967  -0.874   2.373
  462   1HG   ARG  75          1HG       ARG  75 -17.456   0.922   1.115
  463   2HG   ARG  75          2HG       ARG  75 -15.792   0.994   1.699
  464   1HD   ARG  75          1HD       ARG  75 -16.036   0.413  -0.726
  465   2HD   ARG  75          2HD       ARG  75 -15.115  -0.749   0.228
  466    HE   ARG  75           HE       ARG  75 -17.897  -1.411   0.015
  467   1HH1  ARG  75          1HH1      ARG  75 -14.791  -1.637  -1.547
  468   2HH1  ARG  75          2HH1      ARG  75 -15.206  -3.052  -2.455
  469   1HH2  ARG  75          1HH2      ARG  75 -18.453  -3.274  -1.179
  470   2HH2  ARG  75          2HH2      ARG  75 -17.287  -3.982  -2.248
  471    H1   ALA  76           H1       ALA  76   4.886   8.216  12.539
  472    H2   ALA  76           H2       ALA  76   6.187   9.218  12.942
  473    H3   ALA  76           H3       ALA  76   4.850   9.854  12.122
  474    HA   ALA  76           HA       ALA  76   5.419   8.946  10.129
  475   1HB   ALA  76          3HB       ALA  76   7.314  10.408  11.393
  476   2HB   ALA  76          1HB       ALA  76   8.233   8.963  10.970
  477   3HB   ALA  76          2HB       ALA  76   7.417   9.888   9.711
  478    HA   PRO  77           HA       PRO  77   5.947   4.481  11.448
  479   1HB   PRO  77          1HB       PRO  77   4.202   4.277   9.044
  480   2HB   PRO  77          2HB       PRO  77   4.087   3.431  10.591
  481   1HG   PRO  77          1HG       PRO  77   2.412   5.410  10.011
  482   2HG   PRO  77          2HG       PRO  77   3.070   5.233  11.648
  483   1HD   PRO  77          1HD       PRO  77   3.836   7.158   9.491
  484   2HD   PRO  77          2HD       PRO  77   3.719   7.416  11.244
  485    H    SER  78           H        SER  78   8.076   4.270  10.826
  486    HA   SER  78           HA       SER  78   8.876   4.549   8.079
  487   1HB   SER  78          1HB       SER  78  10.338   5.093  10.058
  488   2HB   SER  78          2HB       SER  78  10.473   3.358  10.350
  489    HG   SER  78           HG       SER  78  12.070   4.638   8.897
  490    H    ILE  79           H        ILE  79   8.686   3.102   6.572
  491    HA   ILE  79           HA       ILE  79   8.288   0.299   7.331
  492    HB   ILE  79           HB       ILE  79   6.954   2.001   5.493
  493   1HG1  ILE  79          1HG1      ILE  79   6.156   0.127   7.070
  494   2HG1  ILE  79          2HG1      ILE  79   5.327   0.332   5.534
  495   1HG2  ILE  79          1HG2      ILE  79   8.414  -0.260   4.152
  496   2HG2  ILE  79          2HG2      ILE  79   6.967   0.495   3.483
  497   3HG2  ILE  79          3HG2      ILE  79   8.430   1.451   3.726
  498   1HD1  ILE  79          1HD1      ILE  79   7.573  -1.614   5.732
  499   2HD1  ILE  79          2HD1      ILE  79   5.988  -2.038   6.378
  500   3HD1  ILE  79          3HD1      ILE  79   6.163  -1.625   4.673
  501    H    ASP  80           H        ASP  80   9.575  -1.294   6.601
  502    HA   ASP  80           HA       ASP  80  12.034  -0.491   5.228
  503   1HB   ASP  80          1HB       ASP  80  11.320  -2.604   7.179
  504   2HB   ASP  80          2HB       ASP  80  12.520  -3.041   5.967
  505    H    ARG  81           H        ARG  81  12.426  -1.054   3.188
  506    HA   ARG  81           HA       ARG  81  10.477  -2.542   1.698
  507   1HB   ARG  81          1HB       ARG  81  13.184  -1.689   0.692
  508   2HB   ARG  81          2HB       ARG  81  11.710  -1.943  -0.232
  509   1HG   ARG  81          1HG       ARG  81  10.829   0.006   1.323
  510   2HG   ARG  81          2HG       ARG  81  12.550   0.384   1.401
  511   1HD   ARG  81          1HD       ARG  81  10.732   0.332  -0.980
  512   2HD   ARG  81          2HD       ARG  81  11.779   1.632  -0.414
  513    HE   ARG  81           HE       ARG  81  12.516  -0.590  -2.095
  514   1HH1  ARG  81          1HH1      ARG  81  13.655   1.878   0.086
  515   2HH1  ARG  81          2HH1      ARG  81  15.263   1.889  -0.560
  516   1HH2  ARG  81          1HH2      ARG  81  14.629  -0.580  -2.953
  517   2HH2  ARG  81          2HH2      ARG  81  15.815   0.492  -2.288
  518    H    SER  82           H        SER  82  12.982  -3.484   3.635
  519    HA   SER  82           HA       SER  82  14.040  -5.640   2.071
  520   1HB   SER  82          1HB       SER  82  14.428  -4.559   4.792
  521   2HB   SER  82          2HB       SER  82  14.703  -6.294   4.626
  522    HG   SER  82           HG       SER  82  16.312  -5.916   3.204
  523    H    THR  83           H        THR  83  11.053  -5.258   3.258
  524    HA   THR  83           HA       THR  83  10.732  -8.144   3.749
  525    HB   THR  83           HB       THR  83  10.461  -6.895   5.857
  526    HG1  THR  83           HG1      THR  83   8.042  -7.596   6.019
  527   1HG2  THR  83          1HG2      THR  83   8.433  -5.402   4.238
  528   2HG2  THR  83          2HG2      THR  83   8.234  -5.563   5.982
  529   3HG2  THR  83          3HG2      THR  83   9.671  -4.777   5.328
  530    H    LYS  84           H        LYS  84  10.445  -6.491   1.301
  531    HA   LYS  84           HA       LYS  84   7.740  -6.078   0.669
  532   1HB   LYS  84          1HB       LYS  84  10.309  -6.170  -0.745
  533   2HB   LYS  84          2HB       LYS  84   8.941  -6.650  -1.733
  534   1HG   LYS  84          1HG       LYS  84   8.217  -4.554  -1.922
  535   2HG   LYS  84          2HG       LYS  84   8.395  -4.256  -0.191
  536   1HD   LYS  84          1HD       LYS  84   9.951  -2.788  -0.993
  537   2HD   LYS  84          2HD       LYS  84  10.961  -4.226  -0.824
  538   1HE   LYS  84          1HE       LYS  84   9.561  -4.000  -3.392
  539   2HE   LYS  84          2HE       LYS  84  10.747  -2.732  -3.087
  540   1HZ   LYS  84          1HZ       LYS  84  11.581  -5.463  -2.518
  541   2HZ   LYS  84          2HZ       LYS  84  11.384  -5.064  -4.150
  542   3HZ   LYS  84          3HZ       LYS  84  12.457  -4.180  -3.185
  543    HA   PRO  85           HA       PRO  85   5.707  -9.900  -0.186
  544   1HB   PRO  85          1HB       PRO  85   5.847  -9.162  -3.086
  545   2HB   PRO  85          2HB       PRO  85   4.481  -9.786  -2.151
  546   1HG   PRO  85          1HG       PRO  85   4.668  -7.190  -2.744
  547   2HG   PRO  85          2HG       PRO  85   4.037  -7.733  -1.179
  548   1HD   PRO  85          1HD       PRO  85   6.624  -6.457  -1.828
  549   2HD   PRO  85          2HD       PRO  85   5.717  -6.460  -0.306
  550    H    ALA  86           H        ALA  86   6.567 -11.875  -0.219
  551    HA   ALA  86           HA       ALA  86   8.547 -12.566  -2.259
  552   1HB   ALA  86          2HB       ALA  86   9.411 -11.828   0.203
  553   2HB   ALA  86          3HB       ALA  86  10.270 -12.938  -0.865
  554   3HB   ALA  86          1HB       ALA  86   9.232 -13.571   0.413

  No H/Q in entry =         554
  Start of MODEL   11
    1    H1   GLY  16           H1       GLY  16 -12.481 -10.348   9.126
    2    H2   GLY  16           H2       GLY  16 -12.318  -8.982  10.109
    3    H3   GLY  16           H3       GLY  16 -13.765  -9.859  10.112
    4   1HA   GLY  16          1HA       GLY  16 -13.461  -7.635   8.726
    5   2HA   GLY  16          2HA       GLY  16 -14.527  -8.937   8.220
    6    H    ARG  17           H        ARG  17 -13.360  -7.056   6.472
    7    HA   ARG  17           HA       ARG  17 -11.452  -8.745   4.998
    8   1HB   ARG  17          1HB       ARG  17 -13.994  -7.502   4.121
    9   2HB   ARG  17          2HB       ARG  17 -12.654  -7.432   2.983
   10   1HG   ARG  17          1HG       ARG  17 -12.837 -10.059   4.091
   11   2HG   ARG  17          2HG       ARG  17 -14.407  -9.566   3.451
   12   1HD   ARG  17          1HD       ARG  17 -13.310  -8.952   1.327
   13   2HD   ARG  17          2HD       ARG  17 -11.778  -9.538   1.974
   14    HE   ARG  17           HE       ARG  17 -14.087 -11.169   1.212
   15   1HH1  ARG  17          1HH1      ARG  17 -10.803 -10.954   2.365
   16   2HH1  ARG  17          2HH1      ARG  17 -10.455 -12.625   2.066
   17   1HH2  ARG  17          1HH2      ARG  17 -13.634 -13.367   0.817
   18   2HH2  ARG  17          2HH2      ARG  17 -12.062 -13.995   1.188
   19    H    VAL  18           H        VAL  18  -9.617  -7.683   5.479
   20    HA   VAL  18           HA       VAL  18  -9.489  -4.794   4.955
   21    HB   VAL  18           HB       VAL  18  -7.086  -5.238   6.001
   22   1HG1  VAL  18          1HG1      VAL  18  -9.693  -4.917   7.465
   23   2HG1  VAL  18          2HG1      VAL  18  -8.124  -4.774   8.259
   24   3HG1  VAL  18          3HG1      VAL  18  -8.559  -3.662   6.962
   25   1HG2  VAL  18          1HG2      VAL  18  -7.474  -7.687   6.149
   26   2HG2  VAL  18          2HG2      VAL  18  -7.099  -6.940   7.703
   27   3HG2  VAL  18          3HG2      VAL  18  -8.763  -7.375   7.312
   28    H    ARG  19           H        ARG  19  -9.315  -4.792   2.725
   29    HA   ARG  19           HA       ARG  19  -6.724  -5.702   1.701
   30   1HB   ARG  19          1HB       ARG  19  -7.945  -6.388  -0.433
   31   2HB   ARG  19          2HB       ARG  19  -8.108  -7.456   0.955
   32   1HG   ARG  19          1HG       ARG  19 -10.309  -6.756   1.373
   33   2HG   ARG  19          2HG       ARG  19 -10.148  -5.350   0.318
   34   1HD   ARG  19          1HD       ARG  19 -11.392  -6.842  -0.961
   35   2HD   ARG  19          2HD       ARG  19  -9.748  -7.067  -1.555
   36    HE   ARG  19           HE       ARG  19 -10.577  -8.873   0.553
   37   1HH1  ARG  19          1HH1      ARG  19 -10.276  -8.326  -2.877
   38   2HH1  ARG  19          2HH1      ARG  19 -10.288 -10.012  -3.277
   39   1HH2  ARG  19          1HH2      ARG  19 -10.595 -11.093   0.035
   40   2HH2  ARG  19          2HH2      ARG  19 -10.471 -11.584  -1.622
   41    H    TRP  20           H        TRP  20  -7.263  -3.114   2.425
   42    HA   TRP  20           HA       TRP  20  -7.163  -1.759  -0.159
   43   1HB   TRP  20          1HB       TRP  20  -8.936  -0.895   2.133
   44   2HB   TRP  20          2HB       TRP  20  -8.616   0.066   0.694
   45    HD1  TRP  20           HD1      TRP  20 -10.313  -3.223   1.754
   46    HE1  TRP  20           HE1      TRP  20 -12.072  -3.830  -0.040
   47    HE3  TRP  20           HE3      TRP  20  -9.339   0.482  -1.629
   48    HZ2  TRP  20           HZ2      TRP  20 -12.912  -2.855  -2.560
   49    HZ3  TRP  20           HZ3      TRP  20 -10.662   0.579  -3.698
   50    HH2  TRP  20           HH2      TRP  20 -12.416  -1.055  -4.151
   51    H    ALA  21           H        ALA  21  -6.148   0.376  -0.033
   52    HA   ALA  21           HA       ALA  21  -4.509   0.692   2.382
   53   1HB   ALA  21          2HB       ALA  21  -2.592   0.664   1.231
   54   2HB   ALA  21          3HB       ALA  21  -3.262   1.623  -0.089
   55   3HB   ALA  21          1HB       ALA  21  -3.529  -0.120  -0.040
   56    H    ARG  22           H        ARG  22  -5.400   2.450   3.313
   57    HA   ARG  22           HA       ARG  22  -5.977   4.757   1.592
   58   1HB   ARG  22          1HB       ARG  22  -7.910   4.368   2.828
   59   2HB   ARG  22          2HB       ARG  22  -7.020   3.899   4.272
   60   1HG   ARG  22          1HG       ARG  22  -6.250   6.394   4.260
   61   2HG   ARG  22          2HG       ARG  22  -7.668   6.621   3.234
   62   1HD   ARG  22          1HD       ARG  22  -8.920   5.309   5.074
   63   2HD   ARG  22          2HD       ARG  22  -7.526   5.698   6.081
   64    HE   ARG  22           HE       ARG  22  -8.179   8.106   5.145
   65   1HH1  ARG  22          1HH1      ARG  22 -10.156   5.572   6.496
   66   2HH1  ARG  22          2HH1      ARG  22 -11.333   6.663   7.147
   67   1HH2  ARG  22          1HH2      ARG  22  -9.730   9.548   5.993
   68   2HH2  ARG  22          2HH2      ARG  22 -11.093   8.921   6.860
   69    H    ALA  23           H        ALA  23  -4.304   6.004   1.389
   70    HA   ALA  23           HA       ALA  23  -2.221   6.143   3.353
   71   1HB   ALA  23          2HB       ALA  23  -1.181   6.445   1.397
   72   2HB   ALA  23          3HB       ALA  23  -1.644   8.135   1.595
   73   3HB   ALA  23          1HB       ALA  23  -2.632   7.059   0.606
   74    H    LEU  24           H        LEU  24  -2.213   7.387   5.075
   75    HA   LEU  24           HA       LEU  24  -3.967   9.720   5.201
   76   1HB   LEU  24          1HB       LEU  24  -2.181   8.778   7.426
   77   2HB   LEU  24          2HB       LEU  24  -3.685   9.673   7.533
   78    HG   LEU  24           HG       LEU  24  -3.456   6.773   6.721
   79   1HD1  LEU  24          1HD1      LEU  24  -2.923   7.449   9.148
   80   2HD1  LEU  24          2HD1      LEU  24  -4.649   7.789   9.272
   81   3HD1  LEU  24          3HD1      LEU  24  -4.097   6.164   8.868
   82   1HD2  LEU  24          1HD2      LEU  24  -5.841   8.545   7.240
   83   2HD2  LEU  24          2HD2      LEU  24  -5.378   7.808   5.706
   84   3HD2  LEU  24          3HD2      LEU  24  -5.913   6.792   7.045
   85    H    TYR  25           H        TYR  25  -0.801   8.834   4.541
   86    HA   TYR  25           HA       TYR  25   0.078  11.630   4.561
   87   1HB   TYR  25          1HB       TYR  25   2.038   9.469   5.257
   88   2HB   TYR  25          2HB       TYR  25   2.113  11.191   5.610
   89    HD1  TYR  25           HD1      TYR  25   1.517   8.007   6.966
   90    HD2  TYR  25           HD2      TYR  25   0.246  12.059   7.271
   91    HE1  TYR  25           HE1      TYR  25   0.688   7.572   9.240
   92    HE2  TYR  25           HE2      TYR  25  -0.591  11.630   9.543
   93    HH   TYR  25           HH       TYR  25   0.268   9.194  11.395
   94    H    ASP  26           H        ASP  26   2.325  11.656   3.300
   95    HA   ASP  26           HA       ASP  26   1.806  11.033   0.652
   96   1HB   ASP  26          1HB       ASP  26   3.834  12.336   2.045
   97   2HB   ASP  26          2HB       ASP  26   4.659  11.017   1.220
   98    H    PHE  27           H        PHE  27   3.640   9.703  -0.625
   99    HA   PHE  27           HA       PHE  27   3.379   6.957   0.374
  100   1HB   PHE  27          1HB       PHE  27   3.450   6.226  -1.857
  101   2HB   PHE  27          2HB       PHE  27   2.495   7.703  -1.918
  102    HD1  PHE  27           HD1      PHE  27   3.441   9.753  -2.870
  103    HD2  PHE  27           HD2      PHE  27   5.584   6.076  -2.895
  104    HE1  PHE  27           HE1      PHE  27   4.972  10.668  -4.567
  105    HE2  PHE  27           HE2      PHE  27   7.124   6.986  -4.592
  106    HZ   PHE  27           HZ       PHE  27   6.818   9.282  -5.429
  107    H    GLU  28           H        GLU  28   5.120   5.524   0.424
  108    HA   GLU  28           HA       GLU  28   7.763   6.819   0.436
  109   1HB   GLU  28          1HB       GLU  28   7.690   4.142   1.534
  110   2HB   GLU  28          2HB       GLU  28   8.289   5.629   2.253
  111   1HG   GLU  28          1HG       GLU  28   5.834   6.173   2.721
  112   2HG   GLU  28          2HG       GLU  28   5.529   4.474   2.361
  113    H    ALA  29           H        ALA  29   6.120   5.349  -1.811
  114    HA   ALA  29           HA       ALA  29   7.665   3.059  -2.449
  115   1HB   ALA  29          2HB       ALA  29   5.523   3.163  -3.415
  116   2HB   ALA  29          3HB       ALA  29   6.651   3.376  -4.754
  117   3HB   ALA  29          1HB       ALA  29   5.811   4.772  -4.078
  118    H    LEU  30           H        LEU  30   9.801   3.293  -2.634
  119    HA   LEU  30           HA       LEU  30  10.857   5.441  -4.335
  120   1HB   LEU  30          1HB       LEU  30  12.788   3.740  -2.930
  121   2HB   LEU  30          2HB       LEU  30  12.714   5.486  -3.058
  122    HG   LEU  30           HG       LEU  30  10.828   4.020  -1.240
  123   1HD1  LEU  30          1HD1      LEU  30  13.240   3.353  -0.816
  124   2HD1  LEU  30          2HD1      LEU  30  13.520   5.037  -0.373
  125   3HD1  LEU  30          3HD1      LEU  30  12.366   4.065   0.540
  126   1HD2  LEU  30          1HD2      LEU  30  11.376   6.737  -1.915
  127   2HD2  LEU  30          2HD2      LEU  30  10.163   6.093  -0.809
  128   3HD2  LEU  30          3HD2      LEU  30  11.781   6.476  -0.218
  129    H    GLU  31           H        GLU  31  10.022   2.212  -4.378
  130    HA   GLU  31           HA       GLU  31  12.054   1.524  -6.391
  131   1HB   GLU  31          1HB       GLU  31  10.040  -0.267  -5.021
  132   2HB   GLU  31          2HB       GLU  31  11.307  -0.790  -6.122
  133   1HG   GLU  31          1HG       GLU  31  12.668   0.637  -4.194
  134   2HG   GLU  31          2HG       GLU  31  11.424  -0.219  -3.286
  135    H    GLU  32           H        GLU  32  11.445   0.607  -8.404
  136    HA   GLU  32           HA       GLU  32   9.215   1.904  -9.597
  137   1HB   GLU  32          1HB       GLU  32  10.371   1.533 -11.471
  138   2HB   GLU  32          2HB       GLU  32  11.614   0.812 -10.471
  139   1HG   GLU  32          1HG       GLU  32  10.937  -1.345 -10.949
  140   2HG   GLU  32          2HG       GLU  32   9.334  -0.834 -11.476
  141    H    ASP  33           H        ASP  33   9.801  -1.287  -8.320
  142    HA   ASP  33           HA       ASP  33   7.507  -2.497  -9.550
  143   1HB   ASP  33          1HB       ASP  33   9.685  -3.334  -7.781
  144   2HB   ASP  33          2HB       ASP  33   8.145  -4.100  -7.400
  145    H    GLU  34           H        GLU  34   7.683  -0.177  -7.283
  146    HA   GLU  34           HA       GLU  34   5.417  -1.218  -5.726
  147   1HB   GLU  34          1HB       GLU  34   7.212   1.115  -5.055
  148   2HB   GLU  34          2HB       GLU  34   5.980   0.407  -4.020
  149   1HG   GLU  34          1HG       GLU  34   7.233  -1.568  -3.713
  150   2HG   GLU  34          2HG       GLU  34   8.348  -1.148  -5.011
  151    H    LEU  35           H        LEU  35   4.143   0.852  -4.812
  152    HA   LEU  35           HA       LEU  35   3.480   2.576  -7.093
  153   1HB   LEU  35          1HB       LEU  35   1.454   1.705  -7.261
  154   2HB   LEU  35          2HB       LEU  35   1.856   0.527  -6.030
  155    HG   LEU  35           HG       LEU  35   1.178   2.549  -4.421
  156   1HD1  LEU  35          1HD1      LEU  35   0.775   4.046  -6.377
  157   2HD1  LEU  35          2HD1      LEU  35  -0.573   3.002  -6.827
  158   3HD1  LEU  35          3HD1      LEU  35  -0.605   3.870  -5.293
  159   1HD2  LEU  35          1HD2      LEU  35   0.140   0.150  -4.996
  160   2HD2  LEU  35          2HD2      LEU  35  -0.647   1.308  -3.923
  161   3HD2  LEU  35          3HD2      LEU  35  -1.155   1.180  -5.607
  162    H    GLY  36           H        GLY  36   2.800   4.653  -6.595
  163   1HA   GLY  36          1HA       GLY  36   3.667   6.401  -5.090
  164   2HA   GLY  36          2HA       GLY  36   3.138   5.377  -3.766
  165    H    PHE  37           H        PHE  37   1.576   6.420  -2.761
  166    HA   PHE  37           HA       PHE  37  -0.654   7.481  -4.367
  167   1HB   PHE  37          1HB       PHE  37  -1.745   7.197  -1.914
  168   2HB   PHE  37          2HB       PHE  37  -1.816   5.951  -3.152
  169    HD1  PHE  37           HD1      PHE  37   0.652   7.099  -0.590
  170    HD2  PHE  37           HD2      PHE  37  -1.430   3.842  -2.371
  171    HE1  PHE  37           HE1      PHE  37   1.776   5.545   0.950
  172    HE2  PHE  37           HE2      PHE  37  -0.308   2.283  -0.836
  173    HZ   PHE  37           HZ       PHE  37   1.295   3.133   0.826
  174    H    ARG  38           H        ARG  38  -1.998   8.950  -2.606
  175    HA   ARG  38           HA       ARG  38  -0.071  10.881  -1.502
  176   1HB   ARG  38          1HB       ARG  38  -2.622  11.732  -2.854
  177   2HB   ARG  38          2HB       ARG  38  -1.242  12.725  -2.401
  178   1HG   ARG  38          1HG       ARG  38  -0.014  11.074  -4.090
  179   2HG   ARG  38          2HG       ARG  38  -1.642  10.996  -4.763
  180   1HD   ARG  38          1HD       ARG  38  -0.295  13.608  -4.147
  181   2HD   ARG  38          2HD       ARG  38  -0.065  12.781  -5.686
  182    HE   ARG  38           HE       ARG  38  -2.700  13.663  -4.700
  183   1HH1  ARG  38          1HH1      ARG  38  -0.375  13.216  -7.258
  184   2HH1  ARG  38          2HH1      ARG  38  -1.427  13.822  -8.492
  185   1HH2  ARG  38          1HH2      ARG  38  -4.088  14.463  -6.317
  186   2HH2  ARG  38          2HH2      ARG  38  -3.537  14.531  -7.958
  187    H    SER  39           H        SER  39  -1.086  12.389   0.087
  188    HA   SER  39           HA       SER  39  -2.267  11.046   2.184
  189   1HB   SER  39          1HB       SER  39  -1.303  13.074   2.783
  190   2HB   SER  39          2HB       SER  39  -2.079  13.950   1.463
  191    HG   SER  39           HG       SER  39  -2.902  14.184   3.751
  192    H    GLY  40           H        GLY  40  -4.329  10.790   2.968
  193   1HA   GLY  40          1HA       GLY  40  -6.664  11.986   2.040
  194   2HA   GLY  40          2HA       GLY  40  -6.591  10.440   2.865
  195    H    GLU  41           H        GLU  41  -5.434   8.739   1.175
  196    HA   GLU  41           HA       GLU  41  -7.163   8.854  -1.204
  197   1HB   GLU  41          1HB       GLU  41  -4.259   8.199  -0.972
  198   2HB   GLU  41          2HB       GLU  41  -5.215   7.368  -2.192
  199   1HG   GLU  41          1HG       GLU  41  -5.285  10.348  -1.993
  200   2HG   GLU  41          2HG       GLU  41  -3.951   9.533  -2.808
  201    H    VAL  42           H        VAL  42  -7.519   6.689  -2.202
  202    HA   VAL  42           HA       VAL  42  -7.583   4.542  -0.186
  203    HB   VAL  42           HB       VAL  42  -9.803   5.049  -2.170
  204   1HG1  VAL  42          1HG1      VAL  42  -9.135   2.891  -0.379
  205   2HG1  VAL  42          2HG1      VAL  42 -10.714   3.573   0.012
  206   3HG1  VAL  42          3HG1      VAL  42 -10.390   2.976  -1.616
  207   1HG2  VAL  42          1HG2      VAL  42  -9.615   5.826   0.735
  208   2HG2  VAL  42          2HG2      VAL  42  -9.820   6.898  -0.650
  209   3HG2  VAL  42          3HG2      VAL  42 -11.119   5.798  -0.186
  210    H    VAL  43           H        VAL  43  -6.875   2.607  -0.892
  211    HA   VAL  43           HA       VAL  43  -6.520   2.230  -3.795
  212    HB   VAL  43           HB       VAL  43  -4.572   1.424  -1.630
  213   1HG1  VAL  43          1HG1      VAL  43  -4.962   0.163  -4.008
  214   2HG1  VAL  43          2HG1      VAL  43  -3.718   1.338  -4.427
  215   3HG1  VAL  43          3HG1      VAL  43  -3.441   0.191  -3.117
  216   1HG2  VAL  43          1HG2      VAL  43  -4.703   3.740  -3.487
  217   2HG2  VAL  43          2HG2      VAL  43  -4.128   3.656  -1.822
  218   3HG2  VAL  43          3HG2      VAL  43  -3.124   3.039  -3.134
  219    H    GLU  44           H        GLU  44  -6.846   0.166  -4.599
  220    HA   GLU  44           HA       GLU  44  -8.223  -1.679  -2.793
  221   1HB   GLU  44          1HB       GLU  44  -9.331  -1.127  -4.915
  222   2HB   GLU  44          2HB       GLU  44  -7.940  -1.721  -5.807
  223   1HG   GLU  44          1HG       GLU  44  -8.346  -3.965  -4.784
  224   2HG   GLU  44          2HG       GLU  44  -9.846  -3.318  -4.121
  225    H    VAL  45           H        VAL  45  -6.920  -3.041  -1.753
  226    HA   VAL  45           HA       VAL  45  -4.367  -3.814  -2.826
  227    HB   VAL  45           HB       VAL  45  -5.786  -4.709  -0.318
  228   1HG1  VAL  45          1HG1      VAL  45  -4.067  -6.313  -1.318
  229   2HG1  VAL  45          2HG1      VAL  45  -2.868  -5.084  -0.916
  230   3HG1  VAL  45          3HG1      VAL  45  -3.836  -5.821   0.360
  231   1HG2  VAL  45          1HG2      VAL  45  -4.069  -2.431  -1.011
  232   2HG2  VAL  45          2HG2      VAL  45  -5.238  -2.618   0.295
  233   3HG2  VAL  45          3HG2      VAL  45  -3.614  -3.282   0.465
  234    H    LEU  46           H        LEU  46  -3.737  -5.732  -3.644
  235    HA   LEU  46           HA       LEU  46  -5.870  -7.642  -4.294
  236   1HB   LEU  46          1HB       LEU  46  -3.622  -6.538  -5.754
  237   2HB   LEU  46          2HB       LEU  46  -3.607  -8.289  -5.789
  238    HG   LEU  46           HG       LEU  46  -5.977  -6.607  -6.603
  239   1HD1  LEU  46          1HD1      LEU  46  -3.823  -6.422  -8.004
  240   2HD1  LEU  46          2HD1      LEU  46  -4.182  -8.077  -8.494
  241   3HD1  LEU  46          3HD1      LEU  46  -5.338  -6.788  -8.828
  242   1HD2  LEU  46          1HD2      LEU  46  -5.427  -9.511  -6.423
  243   2HD2  LEU  46          2HD2      LEU  46  -6.935  -8.625  -6.203
  244   3HD2  LEU  46          3HD2      LEU  46  -6.330  -8.947  -7.828
  245    H    ASP  47           H        ASP  47  -2.892  -7.271  -2.576
  246    HA   ASP  47           HA       ASP  47  -3.140  -9.996  -1.594
  247   1HB   ASP  47          1HB       ASP  47  -0.827  -8.994  -3.198
  248   2HB   ASP  47          2HB       ASP  47  -0.527 -10.140  -1.895
  249    H    SER  48           H        SER  48  -3.767  -8.880   0.323
  250    HA   SER  48           HA       SER  48  -1.885  -7.155   1.688
  251   1HB   SER  48          1HB       SER  48  -3.668  -7.766   3.607
  252   2HB   SER  48          2HB       SER  48  -3.978  -6.537   2.379
  253    HG   SER  48           HG       SER  48  -4.961  -8.296   1.141
  254    H    SER  49           H        SER  49  -1.880 -10.387   1.129
  255    HA   SER  49           HA       SER  49  -1.125 -11.216   3.778
  256   1HB   SER  49          1HB       SER  49  -2.002 -12.627   1.660
  257   2HB   SER  49          2HB       SER  49  -0.266 -12.808   1.411
  258    HG   SER  49           HG       SER  49  -1.525 -13.332   3.892
  259    H    ASN  50           H        ASN  50   0.629 -10.542   4.632
  260    HA   ASN  50           HA       ASN  50   3.224 -10.995   3.967
  261   1HB   ASN  50          1HB       ASN  50   2.096  -8.760   2.455
  262   2HB   ASN  50          2HB       ASN  50   3.538  -8.310   3.359
  263   1HD2  ASN  50          1HD2      ASN  50   2.741  -8.874   0.442
  264   2HD2  ASN  50          2HD2      ASN  50   4.040  -9.846  -0.140
  265    HA   PRO  51           HA       PRO  51   3.345  -8.917   7.862
  266   1HB   PRO  51          1HB       PRO  51   5.964  -8.823   8.377
  267   2HB   PRO  51          2HB       PRO  51   5.118 -10.362   8.183
  268   1HG   PRO  51          1HG       PRO  51   6.962  -8.972   6.321
  269   2HG   PRO  51          2HG       PRO  51   6.662 -10.703   6.523
  270   1HD   PRO  51          1HD       PRO  51   5.559  -8.969   4.548
  271   2HD   PRO  51          2HD       PRO  51   5.158 -10.675   4.831
  272    H    SER  52           H        SER  52   4.299  -7.094   5.189
  273    HA   SER  52           HA       SER  52   4.010  -4.665   6.639
  274   1HB   SER  52          1HB       SER  52   6.676  -5.739   6.431
  275   2HB   SER  52          2HB       SER  52   6.570  -4.186   5.600
  276    HG   SER  52           HG       SER  52   5.841  -4.743   8.285
  277    H    TRP  53           H        TRP  53   5.243  -6.143   3.650
  278    HA   TRP  53           HA       TRP  53   4.244  -3.783   2.200
  279   1HB   TRP  53          1HB       TRP  53   6.480  -5.686   1.683
  280   2HB   TRP  53          2HB       TRP  53   5.678  -4.945   0.305
  281    HD1  TRP  53           HD1      TRP  53   7.950  -4.105   3.256
  282    HE1  TRP  53           HE1      TRP  53   8.947  -1.759   2.889
  283    HE3  TRP  53           HE3      TRP  53   5.217  -2.690  -0.822
  284    HZ2  TRP  53           HZ2      TRP  53   8.618   0.405   1.102
  285    HZ3  TRP  53           HZ3      TRP  53   5.618  -0.469  -1.799
  286    HH2  TRP  53           HH2      TRP  53   7.282   1.045  -0.855
  287    H    TRP  54           H        TRP  54   2.305  -4.052   1.323
  288    HA   TRP  54           HA       TRP  54   1.569  -6.726   0.328
  289   1HB   TRP  54          1HB       TRP  54  -0.351  -4.479   0.962
  290   2HB   TRP  54          2HB       TRP  54  -0.734  -6.160   0.611
  291    HD1  TRP  54           HD1      TRP  54   1.665  -7.154   2.725
  292    HE1  TRP  54           HE1      TRP  54   0.992  -7.235   5.198
  293    HE3  TRP  54           HE3      TRP  54  -2.338  -3.991   2.568
  294    HZ2  TRP  54           HZ2      TRP  54  -0.965  -6.084   6.881
  295    HZ3  TRP  54           HZ3      TRP  54  -3.554  -3.524   4.656
  296    HH2  TRP  54           HH2      TRP  54  -2.881  -4.551   6.766
  297    H    THR  55           H        THR  55   0.776  -6.971  -1.736
  298    HA   THR  55           HA       THR  55   1.428  -4.834  -3.588
  299    HB   THR  55           HB       THR  55   0.236  -7.482  -4.376
  300    HG1  THR  55           HG1      THR  55   2.975  -7.360  -4.418
  301   1HG2  THR  55          1HG2      THR  55   1.480  -5.230  -5.722
  302   2HG2  THR  55          2HG2      THR  55   2.274  -6.756  -6.112
  303   3HG2  THR  55          3HG2      THR  55   0.543  -6.565  -6.392
  304    H    GLY  56           H        GLY  56  -0.015  -3.345  -4.115
  305   1HA   GLY  56          1HA       GLY  56  -2.502  -2.851  -3.459
  306   2HA   GLY  56          2HA       GLY  56  -2.790  -4.133  -4.628
  307    H    ARG  57           H        ARG  57  -4.040  -2.267  -5.648
  308    HA   ARG  57           HA       ARG  57  -2.207  -0.588  -7.225
  309   1HB   ARG  57          1HB       ARG  57  -3.853  -0.864  -9.136
  310   2HB   ARG  57          2HB       ARG  57  -2.866  -2.268  -8.740
  311   1HG   ARG  57          1HG       ARG  57  -4.651  -3.443  -7.879
  312   2HG   ARG  57          2HG       ARG  57  -5.580  -1.984  -7.532
  313   1HD   ARG  57          1HD       ARG  57  -5.816  -1.631  -9.986
  314   2HD   ARG  57          2HD       ARG  57  -5.035  -3.191 -10.240
  315    HE   ARG  57           HE       ARG  57  -7.326  -3.319  -8.511
  316   1HH1  ARG  57          1HH1      ARG  57  -6.230  -3.371 -11.819
  317   2HH1  ARG  57          2HH1      ARG  57  -7.621  -4.224 -12.400
  318   1HH2  ARG  57          1HH2      ARG  57  -9.158  -4.444  -9.267
  319   2HH2  ARG  57          2HH2      ARG  57  -9.284  -4.833 -10.950
  320    H    LEU  58           H        LEU  58  -2.664   1.494  -7.362
  321    HA   LEU  58           HA       LEU  58  -5.139   2.471  -6.128
  322   1HB   LEU  58          1HB       LEU  58  -3.202   3.418  -5.125
  323   2HB   LEU  58          2HB       LEU  58  -2.465   3.741  -6.683
  324    HG   LEU  58           HG       LEU  58  -5.022   5.133  -6.195
  325   1HD1  LEU  58          1HD1      LEU  58  -3.003   5.164  -4.189
  326   2HD1  LEU  58          2HD1      LEU  58  -3.058   6.742  -4.974
  327   3HD1  LEU  58          3HD1      LEU  58  -4.518   6.064  -4.254
  328   1HD2  LEU  58          1HD2      LEU  58  -2.612   5.414  -7.759
  329   2HD2  LEU  58          2HD2      LEU  58  -4.188   6.176  -7.974
  330   3HD2  LEU  58          3HD2      LEU  58  -2.996   6.906  -6.900
  331    H    HIS  59           H        HIS  59  -6.742   3.019  -7.450
  332    HA   HIS  59           HA       HIS  59  -7.907   3.817  -9.232
  333   1HB   HIS  59          1HB       HIS  59  -5.309   5.276  -9.553
  334   2HB   HIS  59          2HB       HIS  59  -6.517   5.370 -10.829
  335    HD1  HIS  59           HD1      HIS  59  -8.477   6.913 -10.458
  336    HD2  HIS  59           HD2      HIS  59  -6.153   6.407  -7.049
  337    HE1  HIS  59           HE1      HIS  59  -9.323   8.613  -8.809
  338    HE2  HIS  59           HE2      HIS  59  -7.855   8.336  -6.780
  339    H    ASN  60           H        ASN  60  -4.813   3.691 -10.950
  340    HA   ASN  60           HA       ASN  60  -5.649   1.224 -12.281
  341   1HB   ASN  60          1HB       ASN  60  -6.101   3.632 -13.498
  342   2HB   ASN  60          2HB       ASN  60  -4.510   3.214 -14.125
  343   1HD2  ASN  60          1HD2      ASN  60  -5.078   2.743 -16.177
  344   2HD2  ASN  60          2HD2      ASN  60  -6.117   1.436 -16.620
  345    H    LYS  61           H        LYS  61  -3.407   2.535 -10.493
  346    HA   LYS  61           HA       LYS  61  -1.116   1.504 -12.028
  347   1HB   LYS  61          1HB       LYS  61  -1.116   3.274  -9.573
  348   2HB   LYS  61          2HB       LYS  61   0.294   2.797 -10.507
  349   1HG   LYS  61          1HG       LYS  61  -0.555   4.029 -12.433
  350   2HG   LYS  61          2HG       LYS  61  -1.981   4.495 -11.507
  351   1HD   LYS  61          1HD       LYS  61  -0.514   6.343 -11.398
  352   2HD   LYS  61          2HD       LYS  61  -0.386   5.536  -9.835
  353   1HE   LYS  61          1HE       LYS  61   1.761   6.296 -11.155
  354   2HE   LYS  61          2HE       LYS  61   1.740   4.792 -10.236
  355   1HZ   LYS  61          1HZ       LYS  61   1.099   4.912 -13.127
  356   2HZ   LYS  61          2HZ       LYS  61   2.667   4.653 -12.548
  357   3HZ   LYS  61          3HZ       LYS  61   1.442   3.542 -12.195
  358    H    LEU  62           H        LEU  62  -0.246  -0.386 -11.418
  359    HA   LEU  62           HA       LEU  62  -1.073  -1.502  -8.831
  360   1HB   LEU  62          1HB       LEU  62   0.283  -3.417 -10.460
  361   2HB   LEU  62          2HB       LEU  62  -1.374  -3.432  -9.886
  362    HG   LEU  62           HG       LEU  62  -1.245  -1.619 -12.072
  363   1HD1  LEU  62          1HD1      LEU  62   0.807  -3.407 -12.355
  364   2HD1  LEU  62          2HD1      LEU  62  -0.507  -4.191 -13.231
  365   3HD1  LEU  62          3HD1      LEU  62  -0.004  -2.560 -13.671
  366   1HD2  LEU  62          1HD2      LEU  62  -3.015  -3.355 -11.089
  367   2HD2  LEU  62          2HD2      LEU  62  -3.084  -2.763 -12.749
  368   3HD2  LEU  62          3HD2      LEU  62  -2.370  -4.338 -12.405
  369    H    GLY  63           H        GLY  63   0.408  -2.452  -7.426
  370   1HA   GLY  63          1HA       GLY  63   2.996  -1.211  -7.399
  371   2HA   GLY  63          2HA       GLY  63   3.076  -2.928  -7.759
  372    H    LEU  64           H        LEU  64   4.362  -2.076  -5.548
  373    HA   LEU  64           HA       LEU  64   2.714  -3.220  -3.407
  374   1HB   LEU  64          1HB       LEU  64   5.558  -2.750  -2.856
  375   2HB   LEU  64          2HB       LEU  64   4.573  -4.172  -2.567
  376    HG   LEU  64           HG       LEU  64   5.592  -3.451  -5.307
  377   1HD1  LEU  64          1HD1      LEU  64   7.047  -4.503  -3.031
  378   2HD1  LEU  64          2HD1      LEU  64   7.072  -5.601  -4.412
  379   3HD1  LEU  64          3HD1      LEU  64   7.641  -3.941  -4.594
  380   1HD2  LEU  64          1HD2      LEU  64   4.087  -5.684  -4.097
  381   2HD2  LEU  64          2HD2      LEU  64   4.036  -5.033  -5.736
  382   3HD2  LEU  64          3HD2      LEU  64   5.341  -6.119  -5.260
  383    H    PHE  65           H        PHE  65   2.578  -2.239  -1.352
  384    HA   PHE  65           HA       PHE  65   3.539   0.533  -1.173
  385   1HB   PHE  65          1HB       PHE  65   1.454   1.430  -0.678
  386   2HB   PHE  65          2HB       PHE  65   1.043   0.236  -1.906
  387    HD1  PHE  65           HD1      PHE  65   0.903   1.068   1.651
  388    HD2  PHE  65           HD2      PHE  65  -0.226  -1.732  -1.345
  389    HE1  PHE  65           HE1      PHE  65  -0.657   0.028   3.227
  390    HE2  PHE  65           HE2      PHE  65  -1.800  -2.783   0.223
  391    HZ   PHE  65           HZ       PHE  65  -2.019  -1.906   2.520
  392    HA   PRO  66           HA       PRO  66   4.499  -0.514   3.031
  393   1HB   PRO  66          1HB       PRO  66   4.335   1.823   4.303
  394   2HB   PRO  66          2HB       PRO  66   5.533   1.578   3.025
  395   1HG   PRO  66          1HG       PRO  66   2.846   2.901   2.860
  396   2HG   PRO  66          2HG       PRO  66   4.402   3.482   2.254
  397   1HD   PRO  66          1HD       PRO  66   2.596   2.248   0.657
  398   2HD   PRO  66          2HD       PRO  66   4.344   2.114   0.408
  399    H    ALA  67           H        ALA  67   2.968  -1.852   3.934
  400    HA   ALA  67           HA       ALA  67   0.307  -1.090   4.521
  401   1HB   ALA  67          1HB       ALA  67   1.969  -3.359   5.607
  402   2HB   ALA  67          2HB       ALA  67   0.877  -3.415   4.223
  403   3HB   ALA  67          3HB       ALA  67   0.231  -3.175   5.847
  404    H    ASN  68           H        ASN  68   3.233  -0.354   6.032
  405    HA   ASN  68           HA       ASN  68   2.106  -0.053   8.691
  406   1HB   ASN  68          1HB       ASN  68   4.236  -0.446   9.251
  407   2HB   ASN  68          2HB       ASN  68   4.751  -0.290   7.577
  408   1HD2  ASN  68          1HD2      ASN  68   5.094   1.927   6.788
  409   2HD2  ASN  68          2HD2      ASN  68   5.751   3.090   7.884
  410    H    TYR  69           H        TYR  69   2.917   1.906   5.914
  411    HA   TYR  69           HA       TYR  69   2.700   4.408   7.305
  412   1HB   TYR  69          1HB       TYR  69   3.799   3.660   4.909
  413   2HB   TYR  69          2HB       TYR  69   2.326   4.473   4.392
  414    HD1  TYR  69           HD1      TYR  69   2.621   6.686   3.834
  415    HD2  TYR  69           HD2      TYR  69   4.972   5.049   6.976
  416    HE1  TYR  69           HE1      TYR  69   3.712   8.868   4.147
  417    HE2  TYR  69           HE2      TYR  69   6.067   7.226   7.302
  418    HH   TYR  69           HH       TYR  69   5.912   9.455   6.817
  419    H    VAL  70           H        VAL  70   0.590   2.485   5.206
  420    HA   VAL  70           HA       VAL  70  -1.633   4.241   6.038
  421    HB   VAL  70           HB       VAL  70  -2.515   4.350   3.952
  422   1HG1  VAL  70          1HG1      VAL  70   0.395   3.788   3.451
  423   2HG1  VAL  70          2HG1      VAL  70  -0.704   4.357   2.195
  424   3HG1  VAL  70          3HG1      VAL  70  -0.401   5.352   3.619
  425   1HG2  VAL  70          1HG2      VAL  70  -1.526   1.560   3.655
  426   2HG2  VAL  70          2HG2      VAL  70  -3.139   2.223   3.392
  427   3HG2  VAL  70          3HG2      VAL  70  -1.870   2.492   2.197
  428    H    ALA  71           H        ALA  71  -3.791   3.164   6.000
  429    HA   ALA  71           HA       ALA  71  -3.589   0.284   6.606
  430   1HB   ALA  71          1HB       ALA  71  -4.139   2.347   8.444
  431   2HB   ALA  71          2HB       ALA  71  -5.648   1.469   8.188
  432   3HB   ALA  71          3HB       ALA  71  -4.202   0.604   8.711
  433    HA   PRO  72           HA       PRO  72  -6.987  -0.411   3.905
  434   1HB   PRO  72          1HB       PRO  72  -8.111  -2.267   5.912
  435   2HB   PRO  72          2HB       PRO  72  -7.631  -2.567   4.239
  436   1HG   PRO  72          1HG       PRO  72  -6.155  -3.461   6.252
  437   2HG   PRO  72          2HG       PRO  72  -5.394  -2.814   4.787
  438   1HD   PRO  72          1HD       PRO  72  -5.771  -1.495   7.459
  439   2HD   PRO  72          2HD       PRO  72  -4.354  -1.477   6.387
  440    H    MET  73           H        MET  73  -9.427  -0.845   3.986
  441    HA   MET  73           HA       MET  73 -10.832   0.748   5.974
  442   1HB   MET  73          1HB       MET  73  -9.997   2.073   3.840
  443   2HB   MET  73          2HB       MET  73 -11.394   1.311   3.096
  444   1HG   MET  73          1HG       MET  73 -12.157   2.436   5.610
  445   2HG   MET  73          2HG       MET  73 -11.307   3.649   4.654
  446   1HE   MET  73          1HE       MET  73 -11.580   3.657   2.190
  447   2HE   MET  73          2HE       MET  73 -12.810   2.732   1.329
  448   3HE   MET  73          3HE       MET  73 -13.106   4.421   1.743
  449    H    MET  74           H        MET  74 -12.074  -0.952   6.642
  450    HA   MET  74           HA       MET  74 -13.168  -2.895   4.883
  451   1HB   MET  74          1HB       MET  74 -12.681  -3.280   7.292
  452   2HB   MET  74          2HB       MET  74 -14.031  -2.229   7.701
  453   1HG   MET  74          1HG       MET  74 -15.235  -3.979   6.028
  454   2HG   MET  74          2HG       MET  74 -14.008  -5.008   6.765
  455   1HE   MET  74          1HE       MET  74 -16.882  -2.749   7.039
  456   2HE   MET  74          2HE       MET  74 -17.773  -3.270   8.470
  457   3HE   MET  74          3HE       MET  74 -16.485  -2.075   8.620
  458    H    ARG  75           H        ARG  75 -14.626  -2.380   3.399
  459    HA   ARG  75           HA       ARG  75 -16.390  -0.200   3.505
  460   1HB   ARG  75          1HB       ARG  75 -16.310  -2.707   1.848
  461   2HB   ARG  75          2HB       ARG  75 -17.623  -1.552   1.678
  462   1HG   ARG  75          1HG       ARG  75 -15.742   0.187   1.344
  463   2HG   ARG  75          2HG       ARG  75 -14.725  -1.222   1.029
  464   1HD   ARG  75          1HD       ARG  75 -15.821  -0.105  -0.981
  465   2HD   ARG  75          2HD       ARG  75 -15.985  -1.855  -0.842
  466    HE   ARG  75           HE       ARG  75 -18.243  -1.580  -0.647
  467   1HH1  ARG  75          1HH1      ARG  75 -16.687   1.461   0.043
  468   2HH1  ARG  75          2HH1      ARG  75 -18.171   2.349   0.126
  469   1HH2  ARG  75          1HH2      ARG  75 -20.204  -0.417  -0.536
  470   2HH2  ARG  75          2HH2      ARG  75 -20.170   1.282  -0.203
  471    H1   ALA  76           H1       ALA  76   6.380   8.020  13.527
  472    H2   ALA  76           H2       ALA  76   6.665   9.660  13.223
  473    H3   ALA  76           H3       ALA  76   5.080   9.073  13.280
  474    HA   ALA  76           HA       ALA  76   5.153   8.851  11.101
  475   1HB   ALA  76          2HB       ALA  76   7.761   8.793  10.196
  476   2HB   ALA  76          3HB       ALA  76   6.733  10.221  10.321
  477   3HB   ALA  76          1HB       ALA  76   7.844   9.817  11.630
  478    HA   PRO  77           HA       PRO  77   5.504   4.353  11.370
  479   1HB   PRO  77          1HB       PRO  77   4.277   4.684   8.676
  480   2HB   PRO  77          2HB       PRO  77   3.794   3.631  10.009
  481   1HG   PRO  77          1HG       PRO  77   2.416   5.839   9.461
  482   2HG   PRO  77          2HG       PRO  77   2.705   5.338  11.138
  483   1HD   PRO  77          1HD       PRO  77   4.009   7.507   9.553
  484   2HD   PRO  77          2HD       PRO  77   3.585   7.465  11.277
  485    H    SER  78           H        SER  78   7.253   3.217  10.835
  486    HA   SER  78           HA       SER  78   8.793   4.031   8.468
  487   1HB   SER  78          1HB       SER  78   9.537   3.343  11.170
  488   2HB   SER  78          2HB       SER  78  10.362   2.298  10.014
  489    HG   SER  78           HG       SER  78  10.980   4.266   8.908
  490    H    ILE  79           H        ILE  79   8.905   2.758   6.785
  491    HA   ILE  79           HA       ILE  79   8.177  -0.071   7.118
  492    HB   ILE  79           HB       ILE  79   7.091   1.911   5.384
  493   1HG1  ILE  79          1HG1      ILE  79   6.046  -0.044   6.675
  494   2HG1  ILE  79          2HG1      ILE  79   5.391   0.329   5.088
  495   1HG2  ILE  79          1HG2      ILE  79   8.911   1.246   3.828
  496   2HG2  ILE  79          2HG2      ILE  79   8.263  -0.394   3.839
  497   3HG2  ILE  79          3HG2      ILE  79   7.289   0.935   3.208
  498   1HD1  ILE  79          1HD1      ILE  79   7.510  -1.604   4.882
  499   2HD1  ILE  79          2HD1      ILE  79   6.274  -2.137   6.022
  500   3HD1  ILE  79          3HD1      ILE  79   5.828  -1.720   4.367
  501    H    ASP  80           H        ASP  80   9.516  -1.604   6.354
  502    HA   ASP  80           HA       ASP  80  12.038  -0.693   5.145
  503   1HB   ASP  80          1HB       ASP  80  11.359  -2.954   6.990
  504   2HB   ASP  80          2HB       ASP  80  12.778  -3.071   5.954
  505    H    ARG  81           H        ARG  81  12.675  -1.428   3.206
  506    HA   ARG  81           HA       ARG  81  10.801  -2.904   1.601
  507   1HB   ARG  81          1HB       ARG  81  13.507  -2.471   0.517
  508   2HB   ARG  81          2HB       ARG  81  11.938  -2.109  -0.188
  509   1HG   ARG  81          1HG       ARG  81  12.020  -0.253   1.760
  510   2HG   ARG  81          2HG       ARG  81  13.740  -0.412   1.398
  511   1HD   ARG  81          1HD       ARG  81  13.286   1.095  -0.211
  512   2HD   ARG  81          2HD       ARG  81  12.709  -0.316  -1.099
  513    HE   ARG  81           HE       ARG  81  10.631   0.596  -1.013
  514   1HH1  ARG  81          1HH1      ARG  81  12.472   1.833   1.677
  515   2HH1  ARG  81          2HH1      ARG  81  11.191   2.845   2.254
  516   1HH2  ARG  81          1HH2      ARG  81   8.940   1.921  -0.255
  517   2HH2  ARG  81          2HH2      ARG  81   9.185   2.896   1.156
  518    H    SER  82           H        SER  82  13.150  -3.846   3.749
  519    HA   SER  82           HA       SER  82  14.250  -6.071   2.324
  520   1HB   SER  82          1HB       SER  82  15.213  -6.706   4.498
  521   2HB   SER  82          2HB       SER  82  15.480  -4.997   4.156
  522    HG   SER  82           HG       SER  82  13.367  -6.004   5.761
  523    H    THR  83           H        THR  83  11.195  -5.588   3.344
  524    HA   THR  83           HA       THR  83  10.770  -8.469   3.785
  525    HB   THR  83           HB       THR  83  10.495  -7.302   5.921
  526    HG1  THR  83           HG1      THR  83   7.846  -7.831   5.354
  527   1HG2  THR  83          1HG2      THR  83   9.785  -5.121   4.833
  528   2HG2  THR  83          2HG2      THR  83   8.176  -5.830   4.690
  529   3HG2  THR  83          3HG2      THR  83   8.898  -5.595   6.282
  530    H    LYS  84           H        LYS  84  10.571  -6.743   1.370
  531    HA   LYS  84           HA       LYS  84   7.888  -6.231   0.710
  532   1HB   LYS  84          1HB       LYS  84  10.474  -6.373  -0.665
  533   2HB   LYS  84          2HB       LYS  84   9.113  -6.807  -1.685
  534   1HG   LYS  84          1HG       LYS  84   8.465  -4.688  -1.878
  535   2HG   LYS  84          2HG       LYS  84   8.585  -4.418  -0.137
  536   1HD   LYS  84          1HD       LYS  84  10.161  -2.947  -1.001
  537   2HD   LYS  84          2HD       LYS  84  11.133  -4.352  -0.558
  538   1HE   LYS  84          1HE       LYS  84  11.766  -3.497  -2.753
  539   2HE   LYS  84          2HE       LYS  84  11.093  -5.121  -2.870
  540   1HZ   LYS  84          1HZ       LYS  84   9.045  -3.187  -3.138
  541   2HZ   LYS  84          2HZ       LYS  84  10.281  -2.871  -4.249
  542   3HZ   LYS  84          3HZ       LYS  84   9.528  -4.386  -4.232
  543    HA   PRO  85           HA       PRO  85   5.769  -9.986  -0.253
  544   1HB   PRO  85          1HB       PRO  85   5.970  -9.200  -3.135
  545   2HB   PRO  85          2HB       PRO  85   4.575  -9.808  -2.234
  546   1HG   PRO  85          1HG       PRO  85   4.818  -7.210  -2.769
  547   2HG   PRO  85          2HG       PRO  85   4.172  -7.767  -1.215
  548   1HD   PRO  85          1HD       PRO  85   6.799  -6.550  -1.842
  549   2HD   PRO  85          2HD       PRO  85   5.880  -6.531  -0.328
  550    H    ALA  86           H        ALA  86   6.617 -11.964  -0.281
  551    HA   ALA  86           HA       ALA  86   8.901 -12.487  -2.068
  552   1HB   ALA  86          2HB       ALA  86  10.022 -13.498  -0.407
  553   2HB   ALA  86          3HB       ALA  86   8.576 -14.284   0.225
  554   3HB   ALA  86          1HB       ALA  86   8.925 -12.609   0.650

  No H/Q in entry =         554
  Start of MODEL   12
    1    H1   GLY  16           H1       GLY  16 -10.718 -12.082   6.416
    2    H2   GLY  16           H2       GLY  16 -10.477 -11.653   8.034
    3    H3   GLY  16           H3       GLY  16 -11.857 -12.522   7.586
    4   1HA   GLY  16          1HA       GLY  16 -11.548  -9.757   7.748
    5   2HA   GLY  16          2HA       GLY  16 -12.972 -10.659   7.255
    6    H    ARG  17           H        ARG  17 -12.525  -8.215   6.162
    7    HA   ARG  17           HA       ARG  17 -11.515  -8.813   3.465
    8   1HB   ARG  17          1HB       ARG  17 -13.475  -6.863   3.132
    9   2HB   ARG  17          2HB       ARG  17 -13.600  -8.562   2.695
   10   1HG   ARG  17          1HG       ARG  17 -14.907  -9.069   4.478
   11   2HG   ARG  17          2HG       ARG  17 -14.178  -7.830   5.502
   12   1HD   ARG  17          1HD       ARG  17 -16.462  -7.221   5.001
   13   2HD   ARG  17          2HD       ARG  17 -15.364  -6.102   4.195
   14    HE   ARG  17           HE       ARG  17 -16.920  -8.228   2.886
   15   1HH1  ARG  17          1HH1      ARG  17 -15.002  -5.320   2.725
   16   2HH1  ARG  17          2HH1      ARG  17 -15.347  -5.032   1.052
   17   1HH2  ARG  17          1HH2      ARG  17 -17.381  -7.853   0.683
   18   2HH2  ARG  17          2HH2      ARG  17 -16.699  -6.471  -0.108
   19    H    VAL  18           H        VAL  18  -9.931  -7.688   5.371
   20    HA   VAL  18           HA       VAL  18  -9.922  -4.809   4.906
   21    HB   VAL  18           HB       VAL  18  -7.805  -5.032   6.430
   22   1HG1  VAL  18          1HG1      VAL  18 -10.662  -4.881   7.000
   23   2HG1  VAL  18          2HG1      VAL  18  -9.693  -5.406   8.377
   24   3HG1  VAL  18          3HG1      VAL  18  -9.335  -3.875   7.579
   25   1HG2  VAL  18          1HG2      VAL  18  -8.221  -7.663   6.177
   26   2HG2  VAL  18          2HG2      VAL  18  -7.475  -6.940   7.602
   27   3HG2  VAL  18          3HG2      VAL  18  -9.189  -7.356   7.618
   28    H    ARG  19           H        ARG  19  -9.473  -5.264   2.582
   29    HA   ARG  19           HA       ARG  19  -6.577  -5.556   2.142
   30   1HB   ARG  19          1HB       ARG  19  -7.264  -6.380  -0.185
   31   2HB   ARG  19          2HB       ARG  19  -7.479  -7.491   1.161
   32   1HG   ARG  19          1HG       ARG  19  -9.891  -6.512   1.225
   33   2HG   ARG  19          2HG       ARG  19  -9.530  -6.030  -0.434
   34   1HD   ARG  19          1HD       ARG  19  -8.671  -8.703  -0.135
   35   2HD   ARG  19          2HD       ARG  19 -10.283  -8.596   0.574
   36    HE   ARG  19           HE       ARG  19  -9.743  -7.612  -2.147
   37   1HH1  ARG  19          1HH1      ARG  19 -11.530  -9.619   0.074
   38   2HH1  ARG  19          2HH1      ARG  19 -12.697 -10.109  -1.109
   39   1HH2  ARG  19          1HH2      ARG  19 -11.277  -8.251  -3.707
   40   2HH2  ARG  19          2HH2      ARG  19 -12.553  -9.331  -3.258
   41    H    TRP  20           H        TRP  20  -7.170  -3.142   2.688
   42    HA   TRP  20           HA       TRP  20  -7.240  -1.729   0.131
   43   1HB   TRP  20          1HB       TRP  20  -8.881  -1.043   2.578
   44   2HB   TRP  20          2HB       TRP  20  -8.663   0.041   1.204
   45    HD1  TRP  20           HD1      TRP  20 -10.282  -3.314   2.126
   46    HE1  TRP  20           HE1      TRP  20 -12.064  -3.868   0.341
   47    HE3  TRP  20           HE3      TRP  20  -9.395   0.524  -1.129
   48    HZ2  TRP  20           HZ2      TRP  20 -12.952  -2.810  -2.125
   49    HZ3  TRP  20           HZ3      TRP  20 -10.753   0.684  -3.173
   50    HH2  TRP  20           HH2      TRP  20 -12.499  -0.949  -3.658
   51    H    ALA  21           H        ALA  21  -6.220   0.404   0.237
   52    HA   ALA  21           HA       ALA  21  -4.490   0.733   2.578
   53   1HB   ALA  21          1HB       ALA  21  -3.548  -0.233   0.226
   54   2HB   ALA  21          2HB       ALA  21  -2.583   0.685   1.382
   55   3HB   ALA  21          3HB       ALA  21  -3.311   1.499  -0.004
   56    H    ARG  22           H        ARG  22  -5.334   2.544   3.447
   57    HA   ARG  22           HA       ARG  22  -5.805   4.814   1.641
   58   1HB   ARG  22          1HB       ARG  22  -7.810   4.582   2.769
   59   2HB   ARG  22          2HB       ARG  22  -7.042   4.006   4.244
   60   1HG   ARG  22          1HG       ARG  22  -6.099   6.445   4.346
   61   2HG   ARG  22          2HG       ARG  22  -7.459   6.793   3.277
   62   1HD   ARG  22          1HD       ARG  22  -9.033   6.087   4.879
   63   2HD   ARG  22          2HD       ARG  22  -7.799   5.293   5.857
   64    HE   ARG  22           HE       ARG  22  -7.284   7.320   6.817
   65   1HH1  ARG  22          1HH1      ARG  22  -9.371   7.820   4.072
   66   2HH1  ARG  22          2HH1      ARG  22  -9.662   9.488   4.435
   67   1HH2  ARG  22          1HH2      ARG  22  -7.665   9.515   7.304
   68   2HH2  ARG  22          2HH2      ARG  22  -8.695  10.451   6.273
   69    H    ALA  23           H        ALA  23  -4.079   5.994   1.504
   70    HA   ALA  23           HA       ALA  23  -2.075   6.065   3.535
   71   1HB   ALA  23          2HB       ALA  23  -0.746   7.060   1.991
   72   2HB   ALA  23          3HB       ALA  23  -2.047   8.064   1.352
   73   3HB   ALA  23          1HB       ALA  23  -1.945   6.361   0.903
   74    H    LEU  24           H        LEU  24  -2.097   7.258   5.284
   75    HA   LEU  24           HA       LEU  24  -3.820   9.591   5.489
   76   1HB   LEU  24          1HB       LEU  24  -1.899   8.840   7.643
   77   2HB   LEU  24          2HB       LEU  24  -3.540   9.443   7.775
   78    HG   LEU  24           HG       LEU  24  -3.036   6.676   6.739
   79   1HD1  LEU  24          1HD1      LEU  24  -1.903   7.259   9.040
   80   2HD1  LEU  24          2HD1      LEU  24  -3.556   7.101   9.636
   81   3HD1  LEU  24          3HD1      LEU  24  -2.783   5.748   8.811
   82   1HD2  LEU  24          1HD2      LEU  24  -5.312   8.016   8.193
   83   2HD2  LEU  24          2HD2      LEU  24  -5.272   7.527   6.499
   84   3HD2  LEU  24          3HD2      LEU  24  -5.259   6.304   7.770
   85    H    TYR  25           H        TYR  25  -0.730   8.762   4.590
   86    HA   TYR  25           HA       TYR  25   0.147  11.548   4.517
   87   1HB   TYR  25          1HB       TYR  25   2.288   9.584   5.074
   88   2HB   TYR  25          2HB       TYR  25   2.096  11.232   5.658
   89    HD1  TYR  25           HD1      TYR  25   1.618   7.727   6.388
   90    HD2  TYR  25           HD2      TYR  25   0.586  11.670   7.609
   91    HE1  TYR  25           HE1      TYR  25   0.912   6.858   8.578
   92    HE2  TYR  25           HE2      TYR  25  -0.123  10.812   9.801
   93    HH   TYR  25           HH       TYR  25  -0.539   7.482  10.425
   94    H    ASP  26           H        ASP  26   2.354  11.497   3.132
   95    HA   ASP  26           HA       ASP  26   1.660  10.789   0.542
   96   1HB   ASP  26          1HB       ASP  26   3.682  12.220   1.636
   97   2HB   ASP  26          2HB       ASP  26   4.557  10.778   1.131
   98    H    PHE  27           H        PHE  27   3.536   9.403  -0.741
   99    HA   PHE  27           HA       PHE  27   3.120   6.674   0.255
  100   1HB   PHE  27          1HB       PHE  27   3.428   5.929  -1.979
  101   2HB   PHE  27          2HB       PHE  27   2.407   7.358  -2.066
  102    HD1  PHE  27           HD1      PHE  27   5.616   5.900  -2.898
  103    HD2  PHE  27           HD2      PHE  27   3.312   9.477  -2.916
  104    HE1  PHE  27           HE1      PHE  27   7.205   6.917  -4.488
  105    HE2  PHE  27           HE2      PHE  27   4.893  10.497  -4.503
  106    HZ   PHE  27           HZ       PHE  27   6.842   9.216  -5.291
  107    H    GLU  28           H        GLU  28   4.731   5.139   0.384
  108    HA   GLU  28           HA       GLU  28   7.456   6.201   0.666
  109   1HB   GLU  28          1HB       GLU  28   6.302   3.604   1.686
  110   2HB   GLU  28          2HB       GLU  28   7.900   4.245   2.044
  111   1HG   GLU  28          1HG       GLU  28   5.941   6.200   2.715
  112   2HG   GLU  28          2HG       GLU  28   5.495   4.659   3.441
  113    H    ALA  29           H        ALA  29   5.850   4.995  -1.778
  114    HA   ALA  29           HA       ALA  29   7.309   2.669  -2.510
  115   1HB   ALA  29          1HB       ALA  29   6.433   3.644  -4.889
  116   2HB   ALA  29          2HB       ALA  29   5.470   2.656  -3.791
  117   3HB   ALA  29          3HB       ALA  29   5.314   4.413  -3.762
  118    H    LEU  30           H        LEU  30   9.461   2.799  -2.627
  119    HA   LEU  30           HA       LEU  30  10.666   5.030  -4.105
  120   1HB   LEU  30          1HB       LEU  30  12.186   2.985  -2.517
  121   2HB   LEU  30          2HB       LEU  30  12.685   4.601  -2.978
  122    HG   LEU  30           HG       LEU  30  10.470   4.053  -1.009
  123   1HD1  LEU  30          1HD1      LEU  30  13.410   4.170  -0.664
  124   2HD1  LEU  30          2HD1      LEU  30  12.412   4.977   0.545
  125   3HD1  LEU  30          3HD1      LEU  30  12.196   3.255   0.231
  126   1HD2  LEU  30          1HD2      LEU  30  11.052   6.335  -2.386
  127   2HD2  LEU  30          2HD2      LEU  30  10.240   6.274  -0.822
  128   3HD2  LEU  30          3HD2      LEU  30  11.978   6.557  -0.901
  129    H    GLU  31           H        GLU  31   9.650   1.901  -4.538
  130    HA   GLU  31           HA       GLU  31  11.716   1.358  -6.571
  131   1HB   GLU  31          1HB       GLU  31  11.021  -0.299  -4.617
  132   2HB   GLU  31          2HB       GLU  31   9.752  -0.729  -5.756
  133   1HG   GLU  31          1HG       GLU  31  11.147  -1.970  -6.938
  134   2HG   GLU  31          2HG       GLU  31  12.287  -0.634  -7.095
  135    H    GLU  32           H        GLU  32  10.960   0.269  -8.562
  136    HA   GLU  32           HA       GLU  32   8.764   1.738  -9.694
  137   1HB   GLU  32          1HB       GLU  32   9.368   0.192 -11.721
  138   2HB   GLU  32          2HB       GLU  32  10.452   1.493 -11.249
  139   1HG   GLU  32          1HG       GLU  32  10.938  -1.116  -9.972
  140   2HG   GLU  32          2HG       GLU  32  11.244  -1.027 -11.707
  141    H    ASP  33           H        ASP  33   9.332  -1.531  -8.583
  142    HA   ASP  33           HA       ASP  33   6.953  -2.633  -9.729
  143   1HB   ASP  33          1HB       ASP  33   9.142  -3.569  -8.006
  144   2HB   ASP  33          2HB       ASP  33   7.583  -4.304  -7.642
  145    H    GLU  34           H        GLU  34   7.349  -0.393  -7.390
  146    HA   GLU  34           HA       GLU  34   5.079  -1.324  -5.776
  147   1HB   GLU  34          1HB       GLU  34   7.074   0.879  -5.216
  148   2HB   GLU  34          2HB       GLU  34   5.776   0.379  -4.141
  149   1HG   GLU  34          1HG       GLU  34   6.798  -1.669  -3.670
  150   2HG   GLU  34          2HG       GLU  34   7.883  -1.545  -5.054
  151    H    LEU  35           H        LEU  35   3.751   0.647  -4.921
  152    HA   LEU  35           HA       LEU  35   3.142   2.396  -7.205
  153   1HB   LEU  35          1HB       LEU  35   0.977   1.842  -7.139
  154   2HB   LEU  35          2HB       LEU  35   1.512   0.437  -6.242
  155    HG   LEU  35           HG       LEU  35   1.179   2.147  -4.195
  156   1HD1  LEU  35          1HD1      LEU  35  -0.038   3.457  -6.419
  157   2HD1  LEU  35          2HD1      LEU  35  -1.285   2.987  -5.264
  158   3HD1  LEU  35          3HD1      LEU  35   0.072   3.984  -4.740
  159   1HD2  LEU  35          1HD2      LEU  35  -0.871   0.421  -5.564
  160   2HD2  LEU  35          2HD2      LEU  35   0.183  -0.006  -4.216
  161   3HD2  LEU  35          3HD2      LEU  35  -1.124   1.155  -3.980
  162    H    GLY  36           H        GLY  36   2.806   4.535  -6.802
  163   1HA   GLY  36          1HA       GLY  36   3.760   6.310  -5.462
  164   2HA   GLY  36          2HA       GLY  36   3.305   5.395  -4.036
  165    H    PHE  37           H        PHE  37   1.583   6.080  -2.992
  166    HA   PHE  37           HA       PHE  37  -0.511   7.513  -4.480
  167   1HB   PHE  37          1HB       PHE  37  -1.790   7.005  -2.231
  168   2HB   PHE  37          2HB       PHE  37  -1.666   5.782  -3.487
  169    HD1  PHE  37           HD1      PHE  37   0.514   6.957  -0.687
  170    HD2  PHE  37           HD2      PHE  37  -1.352   3.680  -2.658
  171    HE1  PHE  37           HE1      PHE  37   1.526   5.410   0.936
  172    HE2  PHE  37           HE2      PHE  37  -0.344   2.128  -1.040
  173    HZ   PHE  37           HZ       PHE  37   1.097   2.991   0.763
  174    H    ARG  38           H        ARG  38  -1.795   8.898  -2.624
  175    HA   ARG  38           HA       ARG  38   0.247  10.527  -1.269
  176   1HB   ARG  38          1HB       ARG  38  -1.791  11.295  -3.243
  177   2HB   ARG  38          2HB       ARG  38  -1.598  12.389  -1.883
  178   1HG   ARG  38          1HG       ARG  38   0.929  12.211  -2.471
  179   2HG   ARG  38          2HG       ARG  38   0.322  11.648  -4.030
  180   1HD   ARG  38          1HD       ARG  38  -1.089  13.712  -4.130
  181   2HD   ARG  38          2HD       ARG  38  -0.268  14.277  -2.676
  182    HE   ARG  38           HE       ARG  38   1.692  13.652  -4.545
  183   1HH1  ARG  38          1HH1      ARG  38  -0.937  15.910  -4.181
  184   2HH1  ARG  38          2HH1      ARG  38  -0.182  17.142  -5.136
  185   1HH2  ARG  38          1HH2      ARG  38   2.694  15.271  -5.806
  186   2HH2  ARG  38          2HH2      ARG  38   1.880  16.779  -6.060
  187    H    SER  39           H        SER  39  -1.047  12.261   0.138
  188    HA   SER  39           HA       SER  39  -2.192  10.846   2.266
  189   1HB   SER  39          1HB       SER  39  -1.189  13.359   1.950
  190   2HB   SER  39          2HB       SER  39  -2.916  13.701   2.066
  191    HG   SER  39           HG       SER  39  -2.360  13.634   4.135
  192    H    GLY  40           H        GLY  40  -4.302  10.710   3.043
  193   1HA   GLY  40          1HA       GLY  40  -6.585  11.883   2.020
  194   2HA   GLY  40          2HA       GLY  40  -6.555  10.331   2.840
  195    H    GLU  41           H        GLU  41  -5.008   8.887   0.946
  196    HA   GLU  41           HA       GLU  41  -6.828   8.910  -1.372
  197   1HB   GLU  41          1HB       GLU  41  -3.925   8.097  -1.214
  198   2HB   GLU  41          2HB       GLU  41  -4.947   7.798  -2.612
  199   1HG   GLU  41          1HG       GLU  41  -4.022  10.433  -1.513
  200   2HG   GLU  41          2HG       GLU  41  -3.720   9.736  -3.102
  201    H    VAL  42           H        VAL  42  -8.001   7.164  -1.781
  202    HA   VAL  42           HA       VAL  42  -7.697   4.844  -0.041
  203    HB   VAL  42           HB       VAL  42  -9.853   5.185  -2.110
  204   1HG1  VAL  42          1HG1      VAL  42  -9.235   3.185  -0.267
  205   2HG1  VAL  42          2HG1      VAL  42 -10.608   4.047   0.430
  206   3HG1  VAL  42          3HG1      VAL  42 -10.728   3.360  -1.189
  207   1HG2  VAL  42          1HG2      VAL  42  -9.385   6.843   0.214
  208   2HG2  VAL  42          2HG2      VAL  42 -10.575   7.021  -1.076
  209   3HG2  VAL  42          3HG2      VAL  42 -10.931   6.001   0.319
  210    H    VAL  43           H        VAL  43  -7.025   2.878  -0.699
  211    HA   VAL  43           HA       VAL  43  -6.607   2.446  -3.584
  212    HB   VAL  43           HB       VAL  43  -4.673   1.764  -1.365
  213   1HG1  VAL  43          1HG1      VAL  43  -4.872   0.046  -3.195
  214   2HG1  VAL  43          2HG1      VAL  43  -4.288   1.282  -4.309
  215   3HG1  VAL  43          3HG1      VAL  43  -3.268   0.744  -2.975
  216   1HG2  VAL  43          1HG2      VAL  43  -4.943   4.033  -3.135
  217   2HG2  VAL  43          2HG2      VAL  43  -3.882   3.808  -1.745
  218   3HG2  VAL  43          3HG2      VAL  43  -3.383   3.235  -3.336
  219    H    GLU  44           H        GLU  44  -6.979   0.394  -4.346
  220    HA   GLU  44           HA       GLU  44  -8.306  -1.444  -2.491
  221   1HB   GLU  44          1HB       GLU  44  -9.435  -0.830  -4.631
  222   2HB   GLU  44          2HB       GLU  44  -8.112  -1.582  -5.509
  223   1HG   GLU  44          1HG       GLU  44  -8.731  -3.718  -4.886
  224   2HG   GLU  44          2HG       GLU  44  -9.645  -3.153  -3.488
  225    H    VAL  45           H        VAL  45  -6.948  -2.816  -1.504
  226    HA   VAL  45           HA       VAL  45  -4.445  -3.566  -2.703
  227    HB   VAL  45           HB       VAL  45  -5.721  -4.559  -0.154
  228   1HG1  VAL  45          1HG1      VAL  45  -3.116  -5.120  -1.479
  229   2HG1  VAL  45          2HG1      VAL  45  -3.163  -5.012   0.280
  230   3HG1  VAL  45          3HG1      VAL  45  -4.170  -6.195  -0.557
  231   1HG2  VAL  45          1HG2      VAL  45  -5.214  -2.120  -0.238
  232   2HG2  VAL  45          2HG2      VAL  45  -4.305  -2.999   0.990
  233   3HG2  VAL  45          3HG2      VAL  45  -3.522  -2.530  -0.518
  234    H    LEU  46           H        LEU  46  -3.905  -5.405  -3.691
  235    HA   LEU  46           HA       LEU  46  -6.054  -7.334  -4.199
  236   1HB   LEU  46          1HB       LEU  46  -3.789  -6.270  -5.749
  237   2HB   LEU  46          2HB       LEU  46  -4.066  -7.992  -5.937
  238    HG   LEU  46           HG       LEU  46  -6.373  -6.119  -6.239
  239   1HD1  LEU  46          1HD1      LEU  46  -4.045  -6.361  -8.065
  240   2HD1  LEU  46          2HD1      LEU  46  -5.658  -6.297  -8.779
  241   3HD1  LEU  46          3HD1      LEU  46  -5.098  -4.982  -7.745
  242   1HD2  LEU  46          1HD2      LEU  46  -5.994  -8.862  -6.475
  243   2HD2  LEU  46          2HD2      LEU  46  -7.398  -7.937  -7.007
  244   3HD2  LEU  46          3HD2      LEU  46  -6.085  -8.277  -8.136
  245    H    ASP  47           H        ASP  47  -3.253  -6.958  -2.377
  246    HA   ASP  47           HA       ASP  47  -3.296  -9.727  -1.588
  247   1HB   ASP  47          1HB       ASP  47  -1.723  -9.376  -3.683
  248   2HB   ASP  47          2HB       ASP  47  -0.600  -8.785  -2.463
  249    H    SER  48           H        SER  48  -3.779  -8.934   0.455
  250    HA   SER  48           HA       SER  48  -1.886  -7.141   1.789
  251   1HB   SER  48          1HB       SER  48  -3.670  -7.782   3.719
  252   2HB   SER  48          2HB       SER  48  -3.928  -6.478   2.560
  253    HG   SER  48           HG       SER  48  -4.995  -9.089   2.555
  254    H    SER  49           H        SER  49  -1.970 -10.365   1.170
  255    HA   SER  49           HA       SER  49  -1.222 -11.279   3.786
  256   1HB   SER  49          1HB       SER  49  -2.137 -12.643   1.715
  257   2HB   SER  49          2HB       SER  49  -0.429 -12.731   1.282
  258    HG   SER  49           HG       SER  49  -0.908 -14.496   2.549
  259    H    ASN  50           H        ASN  50   0.544 -10.640   4.680
  260    HA   ASN  50           HA       ASN  50   3.136 -11.109   4.026
  261   1HB   ASN  50          1HB       ASN  50   2.057  -8.816   2.561
  262   2HB   ASN  50          2HB       ASN  50   3.519  -8.433   3.465
  263   1HD2  ASN  50          1HD2      ASN  50   2.654  -8.954   0.540
  264   2HD2  ASN  50          2HD2      ASN  50   3.934  -9.938  -0.068
  265    HA   PRO  51           HA       PRO  51   3.295  -9.098   7.967
  266   1HB   PRO  51          1HB       PRO  51   5.906  -9.141   8.506
  267   2HB   PRO  51          2HB       PRO  51   4.996 -10.638   8.268
  268   1HG   PRO  51          1HG       PRO  51   6.901  -9.271   6.441
  269   2HG   PRO  51          2HG       PRO  51   6.565 -10.999   6.629
  270   1HD   PRO  51          1HD       PRO  51   5.517  -9.250   4.649
  271   2HD   PRO  51          2HD       PRO  51   5.043 -10.933   4.952
  272    H    SER  52           H        SER  52   4.275  -7.287   5.316
  273    HA   SER  52           HA       SER  52   4.181  -4.870   6.825
  274   1HB   SER  52          1HB       SER  52   6.789  -6.065   6.352
  275   2HB   SER  52          2HB       SER  52   6.674  -4.435   5.690
  276    HG   SER  52           HG       SER  52   7.037  -3.864   7.681
  277    H    TRP  53           H        TRP  53   5.349  -6.262   3.753
  278    HA   TRP  53           HA       TRP  53   4.277  -3.883   2.390
  279   1HB   TRP  53          1HB       TRP  53   6.513  -5.760   1.790
  280   2HB   TRP  53          2HB       TRP  53   5.669  -5.020   0.434
  281    HD1  TRP  53           HD1      TRP  53   7.932  -4.135   3.394
  282    HE1  TRP  53           HE1      TRP  53   8.925  -1.795   2.996
  283    HE3  TRP  53           HE3      TRP  53   5.246  -2.809  -0.747
  284    HZ2  TRP  53           HZ2      TRP  53   8.610   0.333   1.168
  285    HZ3  TRP  53           HZ3      TRP  53   5.652  -0.604  -1.758
  286    HH2  TRP  53           HH2      TRP  53   7.299   0.934  -0.819
  287    H    TRP  54           H        TRP  54   2.347  -4.109   1.476
  288    HA   TRP  54           HA       TRP  54   1.566  -6.774   0.487
  289   1HB   TRP  54          1HB       TRP  54  -0.302  -4.488   1.148
  290   2HB   TRP  54          2HB       TRP  54  -0.735  -6.147   0.756
  291    HD1  TRP  54           HD1      TRP  54   1.699  -7.181   2.862
  292    HE1  TRP  54           HE1      TRP  54   0.998  -7.335   5.324
  293    HE3  TRP  54           HE3      TRP  54  -2.368  -4.102   2.735
  294    HZ2  TRP  54           HZ2      TRP  54  -0.998  -6.263   7.014
  295    HZ3  TRP  54           HZ3      TRP  54  -3.616  -3.709   4.819
  296    HH2  TRP  54           HH2      TRP  54  -2.945  -4.769   6.913
  297    H    THR  55           H        THR  55   0.866  -7.026  -1.590
  298    HA   THR  55           HA       THR  55   1.502  -4.886  -3.435
  299    HB   THR  55           HB       THR  55   0.350  -7.593  -4.121
  300    HG1  THR  55           HG1      THR  55   2.445  -7.491  -2.846
  301   1HG2  THR  55          1HG2      THR  55   0.920  -5.343  -5.677
  302   2HG2  THR  55          2HG2      THR  55   2.256  -6.456  -5.967
  303   3HG2  THR  55          3HG2      THR  55   0.597  -6.978  -6.251
  304    H    GLY  56           H        GLY  56   0.061  -3.382  -3.956
  305   1HA   GLY  56          1HA       GLY  56  -2.400  -2.845  -3.302
  306   2HA   GLY  56          2HA       GLY  56  -2.733  -4.182  -4.396
  307    H    ARG  57           H        ARG  57  -3.947  -1.984  -5.153
  308    HA   ARG  57           HA       ARG  57  -2.188  -0.503  -6.957
  309   1HB   ARG  57          1HB       ARG  57  -3.757  -0.872  -8.862
  310   2HB   ARG  57          2HB       ARG  57  -2.894  -2.319  -8.346
  311   1HG   ARG  57          1HG       ARG  57  -4.791  -3.292  -7.463
  312   2HG   ARG  57          2HG       ARG  57  -5.618  -1.746  -7.263
  313   1HD   ARG  57          1HD       ARG  57  -5.861  -1.557  -9.684
  314   2HD   ARG  57          2HD       ARG  57  -5.004  -3.082  -9.897
  315    HE   ARG  57           HE       ARG  57  -7.227  -3.470  -8.210
  316   1HH1  ARG  57          1HH1      ARG  57  -6.434  -2.847 -11.545
  317   2HH1  ARG  57          2HH1      ARG  57  -7.853  -3.623 -12.162
  318   1HH2  ARG  57          1HH2      ARG  57  -9.097  -4.498  -9.014
  319   2HH2  ARG  57          2HH2      ARG  57  -9.367  -4.563 -10.724
  320    H    LEU  58           H        LEU  58  -2.702   1.571  -7.188
  321    HA   LEU  58           HA       LEU  58  -5.157   2.543  -5.909
  322   1HB   LEU  58          1HB       LEU  58  -3.250   3.612  -5.012
  323   2HB   LEU  58          2HB       LEU  58  -2.518   3.817  -6.588
  324    HG   LEU  58           HG       LEU  58  -5.070   5.240  -6.250
  325   1HD1  LEU  58          1HD1      LEU  58  -3.377   5.326  -4.074
  326   2HD1  LEU  58          2HD1      LEU  58  -2.961   6.769  -4.998
  327   3HD1  LEU  58          3HD1      LEU  58  -4.626   6.503  -4.483
  328   1HD2  LEU  58          1HD2      LEU  58  -2.779   5.345  -7.872
  329   2HD2  LEU  58          2HD2      LEU  58  -4.196   6.393  -7.932
  330   3HD2  LEU  58          3HD2      LEU  58  -2.807   6.845  -6.945
  331    H    HIS  59           H        HIS  59  -6.820   2.963  -7.203
  332    HA   HIS  59           HA       HIS  59  -8.069   3.635  -8.980
  333   1HB   HIS  59          1HB       HIS  59  -5.512   5.109  -9.576
  334   2HB   HIS  59          2HB       HIS  59  -6.879   5.173 -10.682
  335    HD1  HIS  59           HD1      HIS  59  -7.240   7.686 -10.258
  336    HD2  HIS  59           HD2      HIS  59  -7.560   5.340  -6.843
  337    HE1  HIS  59           HE1      HIS  59  -8.253   9.181  -8.507
  338    HE2  HIS  59           HE2      HIS  59  -8.511   7.717  -6.475
  339    H    ASN  60           H        ASN  60  -5.082   3.557 -10.858
  340    HA   ASN  60           HA       ASN  60  -5.880   0.981 -12.007
  341   1HB   ASN  60          1HB       ASN  60  -6.556   3.178 -13.343
  342   2HB   ASN  60          2HB       ASN  60  -4.882   3.074 -13.883
  343   1HD2  ASN  60          1HD2      ASN  60  -6.889   2.877 -15.687
  344   2HD2  ASN  60          2HD2      ASN  60  -6.997   1.261 -16.288
  345    H    LYS  61           H        LYS  61  -3.548   2.611 -10.474
  346    HA   LYS  61           HA       LYS  61  -1.315   1.501 -12.010
  347   1HB   LYS  61          1HB       LYS  61  -1.331   3.376  -9.635
  348   2HB   LYS  61          2HB       LYS  61   0.108   2.837 -10.489
  349   1HG   LYS  61          1HG       LYS  61  -0.909   3.864 -12.568
  350   2HG   LYS  61          2HG       LYS  61  -2.086   4.621 -11.493
  351   1HD   LYS  61          1HD       LYS  61  -0.543   6.283 -11.492
  352   2HD   LYS  61          2HD       LYS  61   0.161   5.296 -10.209
  353   1HE   LYS  61          1HE       LYS  61   1.941   5.825 -11.664
  354   2HE   LYS  61          2HE       LYS  61   1.513   4.152 -12.017
  355   1HZ   LYS  61          1HZ       LYS  61  -0.031   5.759 -13.676
  356   2HZ   LYS  61          2HZ       LYS  61   1.548   6.361 -13.761
  357   3HZ   LYS  61          3HZ       LYS  61   1.240   4.736 -14.119
  358    H    LEU  62           H        LEU  62  -0.300  -0.305 -11.379
  359    HA   LEU  62           HA       LEU  62  -1.073  -1.465  -8.797
  360   1HB   LEU  62          1HB       LEU  62   0.322  -2.897 -11.044
  361   2HB   LEU  62          2HB       LEU  62  -0.559  -3.596  -9.699
  362    HG   LEU  62           HG       LEU  62  -2.452  -2.028 -11.005
  363   1HD1  LEU  62          1HD1      LEU  62  -0.396  -2.497 -12.838
  364   2HD1  LEU  62          2HD1      LEU  62  -1.665  -3.655 -13.239
  365   3HD1  LEU  62          3HD1      LEU  62  -2.031  -1.931 -13.180
  366   1HD2  LEU  62          1HD2      LEU  62  -1.842  -4.962 -10.928
  367   2HD2  LEU  62          2HD2      LEU  62  -3.100  -4.065 -10.076
  368   3HD2  LEU  62          3HD2      LEU  62  -3.234  -4.337 -11.813
  369    H    GLY  63           H        GLY  63   0.406  -2.134  -7.300
  370   1HA   GLY  63          1HA       GLY  63   2.950  -0.822  -7.323
  371   2HA   GLY  63          2HA       GLY  63   3.098  -2.557  -7.556
  372    H    LEU  64           H        LEU  64   4.257  -2.684  -5.573
  373    HA   LEU  64           HA       LEU  64   2.631  -3.327  -3.344
  374   1HB   LEU  64          1HB       LEU  64   5.458  -2.823  -2.755
  375   2HB   LEU  64          2HB       LEU  64   4.491  -4.256  -2.476
  376    HG   LEU  64           HG       LEU  64   5.519  -3.561  -5.215
  377   1HD1  LEU  64          1HD1      LEU  64   7.300  -3.795  -3.332
  378   2HD1  LEU  64          2HD1      LEU  64   6.912  -5.512  -3.441
  379   3HD1  LEU  64          3HD1      LEU  64   7.512  -4.653  -4.859
  380   1HD2  LEU  64          1HD2      LEU  64   3.881  -5.625  -4.105
  381   2HD2  LEU  64          2HD2      LEU  64   4.352  -5.359  -5.784
  382   3HD2  LEU  64          3HD2      LEU  64   5.375  -6.329  -4.723
  383    H    PHE  65           H        PHE  65   2.611  -2.352  -1.242
  384    HA   PHE  65           HA       PHE  65   3.495   0.438  -1.112
  385   1HB   PHE  65          1HB       PHE  65   1.410   1.323  -0.609
  386   2HB   PHE  65          2HB       PHE  65   0.987   0.104  -1.809
  387    HD1  PHE  65           HD1      PHE  65  -0.319  -1.813  -1.210
  388    HD2  PHE  65           HD2      PHE  65   0.954   0.957   1.755
  389    HE1  PHE  65           HE1      PHE  65  -1.861  -2.839   0.404
  390    HE2  PHE  65           HE2      PHE  65  -0.576  -0.058   3.376
  391    HZ   PHE  65           HZ       PHE  65  -1.994  -1.965   2.706
  392    HA   PRO  66           HA       PRO  66   4.510  -0.598   3.083
  393   1HB   PRO  66          1HB       PRO  66   4.387   1.751   4.338
  394   2HB   PRO  66          2HB       PRO  66   5.557   1.487   3.038
  395   1HG   PRO  66          1HG       PRO  66   2.879   2.836   2.920
  396   2HG   PRO  66          2HG       PRO  66   4.430   3.395   2.273
  397   1HD   PRO  66          1HD       PRO  66   2.564   2.160   0.735
  398   2HD   PRO  66          2HD       PRO  66   4.304   2.024   0.436
  399    H    ALA  67           H        ALA  67   2.986  -1.924   4.022
  400    HA   ALA  67           HA       ALA  67   0.334  -1.135   4.624
  401   1HB   ALA  67          1HB       ALA  67   1.053  -3.484   4.317
  402   2HB   ALA  67          2HB       ALA  67   1.895  -3.395   5.864
  403   3HB   ALA  67          3HB       ALA  67   0.141  -3.222   5.803
  404    H    ASN  68           H        ASN  68   3.229  -0.294   6.068
  405    HA   ASN  68           HA       ASN  68   2.114  -0.007   8.747
  406   1HB   ASN  68          1HB       ASN  68   4.240  -0.403   9.322
  407   2HB   ASN  68          2HB       ASN  68   4.760  -0.277   7.646
  408   1HD2  ASN  68          1HD2      ASN  68   5.032   1.977   6.830
  409   2HD2  ASN  68          2HD2      ASN  68   5.728   3.135   7.906
  410    H    TYR  69           H        TYR  69   2.981   1.907   5.954
  411    HA   TYR  69           HA       TYR  69   2.786   4.437   7.282
  412   1HB   TYR  69          1HB       TYR  69   3.826   3.605   4.885
  413   2HB   TYR  69          2HB       TYR  69   2.351   4.421   4.377
  414    HD1  TYR  69           HD1      TYR  69   2.620   6.621   3.775
  415    HD2  TYR  69           HD2      TYR  69   5.107   5.035   6.841
  416    HE1  TYR  69           HE1      TYR  69   3.756   8.793   3.971
  417    HE2  TYR  69           HE2      TYR  69   6.247   7.204   7.047
  418    HH   TYR  69           HH       TYR  69   6.612   9.263   5.321
  419    H    VAL  70           H        VAL  70   0.625   2.462   5.287
  420    HA   VAL  70           HA       VAL  70  -1.568   4.279   6.069
  421    HB   VAL  70           HB       VAL  70  -2.432   4.347   3.986
  422   1HG1  VAL  70          1HG1      VAL  70   0.329   4.465   3.963
  423   2HG1  VAL  70          2HG1      VAL  70  -0.062   3.423   2.595
  424   3HG1  VAL  70          3HG1      VAL  70  -0.754   5.042   2.697
  425   1HG2  VAL  70          1HG2      VAL  70  -2.947   1.932   3.964
  426   2HG2  VAL  70          2HG2      VAL  70  -2.458   2.539   2.381
  427   3HG2  VAL  70          3HG2      VAL  70  -1.321   1.614   3.361
  428    H    ALA  71           H        ALA  71  -3.712   3.283   6.187
  429    HA   ALA  71           HA       ALA  71  -3.579   0.425   6.924
  430   1HB   ALA  71          1HB       ALA  71  -4.979   2.689   8.320
  431   2HB   ALA  71          2HB       ALA  71  -3.774   1.576   8.967
  432   3HB   ALA  71          3HB       ALA  71  -5.399   0.999   8.599
  433    HA   PRO  72           HA       PRO  72  -6.809  -0.484   4.086
  434   1HB   PRO  72          1HB       PRO  72  -8.114  -2.008   6.284
  435   2HB   PRO  72          2HB       PRO  72  -7.679  -2.527   4.650
  436   1HG   PRO  72          1HG       PRO  72  -6.222  -3.304   6.704
  437   2HG   PRO  72          2HG       PRO  72  -5.433  -2.802   5.199
  438   1HD   PRO  72          1HD       PRO  72  -5.750  -1.277   7.764
  439   2HD   PRO  72          2HD       PRO  72  -4.340  -1.387   6.687
  440    H    MET  73           H        MET  73  -9.262  -0.696   3.964
  441    HA   MET  73           HA       MET  73 -10.738   1.087   5.706
  442   1HB   MET  73          1HB       MET  73  -9.482   2.361   3.783
  443   2HB   MET  73          2HB       MET  73 -10.778   1.723   2.783
  444   1HG   MET  73          1HG       MET  73 -11.472   3.146   5.304
  445   2HG   MET  73          2HG       MET  73 -10.969   4.083   3.898
  446   1HE   MET  73          1HE       MET  73 -11.703   3.334   1.623
  447   2HE   MET  73          2HE       MET  73 -12.850   2.013   1.402
  448   3HE   MET  73          3HE       MET  73 -13.398   3.685   1.283
  449    H    MET  74           H        MET  74 -12.258  -0.460   6.147
  450    HA   MET  74           HA       MET  74 -13.309  -2.223   4.174
  451   1HB   MET  74          1HB       MET  74 -13.351  -2.103   6.938
  452   2HB   MET  74          2HB       MET  74 -15.023  -1.787   6.498
  453   1HG   MET  74          1HG       MET  74 -15.087  -3.848   5.206
  454   2HG   MET  74          2HG       MET  74 -13.401  -4.163   5.617
  455   1HE   MET  74          1HE       MET  74 -12.675  -5.447   7.081
  456   2HE   MET  74          2HE       MET  74 -12.858  -4.862   8.734
  457   3HE   MET  74          3HE       MET  74 -13.576  -6.402   8.260
  458    H    ARG  75           H        ARG  75 -14.394  -1.404   2.498
  459    HA   ARG  75           HA       ARG  75 -15.884   0.974   2.506
  460   1HB   ARG  75          1HB       ARG  75 -16.327  -1.348   0.634
  461   2HB   ARG  75          2HB       ARG  75 -16.625   0.356   0.321
  462   1HG   ARG  75          1HG       ARG  75 -13.971   0.367   0.921
  463   2HG   ARG  75          2HG       ARG  75 -14.155  -1.193   0.118
  464   1HD   ARG  75          1HD       ARG  75 -14.990   1.491  -0.972
  465   2HD   ARG  75          2HD       ARG  75 -13.603   0.538  -1.496
  466    HE   ARG  75           HE       ARG  75 -15.444  -1.190  -2.055
  467   1HH1  ARG  75          1HH1      ARG  75 -15.720   2.270  -2.366
  468   2HH1  ARG  75          2HH1      ARG  75 -16.861   2.191  -3.666
  469   1HH2  ARG  75          1HH2      ARG  75 -16.948  -1.303  -3.765
  470   2HH2  ARG  75          2HH2      ARG  75 -17.560   0.160  -4.460
  471    H1   ALA  76           H1       ALA  76   6.565   8.389  13.467
  472    H2   ALA  76           H2       ALA  76   5.824   9.876  13.146
  473    H3   ALA  76           H3       ALA  76   4.892   8.467  13.236
  474    HA   ALA  76           HA       ALA  76   5.085   8.920  10.968
  475   1HB   ALA  76          1HB       ALA  76   7.980   8.913  10.719
  476   2HB   ALA  76          2HB       ALA  76   6.788  10.036  10.063
  477   3HB   ALA  76          3HB       ALA  76   7.387  10.248  11.708
  478    HA   PRO  77           HA       PRO  77   5.482   4.398  11.208
  479   1HB   PRO  77          1HB       PRO  77   4.382   4.843   8.467
  480   2HB   PRO  77          2HB       PRO  77   3.887   3.677   9.700
  481   1HG   PRO  77          1HG       PRO  77   2.435   5.853   9.267
  482   2HG   PRO  77          2HG       PRO  77   2.713   5.275  10.921
  483   1HD   PRO  77          1HD       PRO  77   3.952   7.580   9.485
  484   2HD   PRO  77          2HD       PRO  77   3.506   7.422  11.196
  485    H    SER  78           H        SER  78   7.294   3.331  10.762
  486    HA   SER  78           HA       SER  78   8.893   4.175   8.443
  487   1HB   SER  78          1HB       SER  78   9.910   4.338  10.765
  488   2HB   SER  78          2HB       SER  78   9.880   2.575  10.806
  489    HG   SER  78           HG       SER  78  11.667   2.643   9.726
  490    H    ILE  79           H        ILE  79   8.935   2.899   6.762
  491    HA   ILE  79           HA       ILE  79   8.357   0.042   7.154
  492    HB   ILE  79           HB       ILE  79   7.163   1.967   5.402
  493   1HG1  ILE  79          1HG1      ILE  79   6.161   0.100   6.821
  494   2HG1  ILE  79          2HG1      ILE  79   5.474   0.343   5.222
  495   1HG2  ILE  79          1HG2      ILE  79   8.886   1.284   3.785
  496   2HG2  ILE  79          2HG2      ILE  79   8.353  -0.389   3.947
  497   3HG2  ILE  79          3HG2      ILE  79   7.262   0.822   3.275
  498   1HD1  ILE  79          1HD1      ILE  79   6.982  -1.529   4.438
  499   2HD1  ILE  79          2HD1      ILE  79   7.306  -1.848   6.141
  500   3HD1  ILE  79          3HD1      ILE  79   5.662  -1.983   5.516
  501    H    ASP  80           H        ASP  80   9.708  -1.444   6.335
  502    HA   ASP  80           HA       ASP  80  12.167  -0.460   5.064
  503   1HB   ASP  80          1HB       ASP  80  11.858  -3.191   6.285
  504   2HB   ASP  80          2HB       ASP  80  13.329  -2.257   6.028
  505    H    ARG  81           H        ARG  81  12.640  -1.012   3.039
  506    HA   ARG  81           HA       ARG  81  10.771  -2.488   1.465
  507   1HB   ARG  81          1HB       ARG  81  13.542  -1.531   0.725
  508   2HB   ARG  81          2HB       ARG  81  12.289  -2.049  -0.394
  509   1HG   ARG  81          1HG       ARG  81  11.005  -0.093   1.000
  510   2HG   ARG  81          2HG       ARG  81  12.662   0.514   0.957
  511   1HD   ARG  81          1HD       ARG  81  10.820  -0.114  -1.323
  512   2HD   ARG  81          2HD       ARG  81  11.692   1.381  -0.981
  513    HE   ARG  81           HE       ARG  81  12.648  -0.856  -2.463
  514   1HH1  ARG  81          1HH1      ARG  81  13.645   1.707  -0.322
  515   2HH1  ARG  81          2HH1      ARG  81  15.267   1.755  -0.928
  516   1HH2  ARG  81          1HH2      ARG  81  14.783  -0.797  -3.265
  517   2HH2  ARG  81          2HH2      ARG  81  15.912   0.334  -2.600
  518    H    SER  82           H        SER  82  13.135  -3.504   3.537
  519    HA   SER  82           HA       SER  82  14.111  -5.742   1.994
  520   1HB   SER  82          1HB       SER  82  15.127  -4.372   4.133
  521   2HB   SER  82          2HB       SER  82  14.478  -5.811   4.918
  522    HG   SER  82           HG       SER  82  16.157  -5.914   2.640
  523    H    THR  83           H        THR  83  11.221  -5.103   3.237
  524    HA   THR  83           HA       THR  83  10.710  -7.894   4.037
  525    HB   THR  83           HB       THR  83   9.056  -7.205   5.550
  526    HG1  THR  83           HG1      THR  83   9.255  -4.542   4.570
  527   1HG2  THR  83          1HG2      THR  83  11.557  -6.515   6.028
  528   2HG2  THR  83          2HG2      THR  83  10.874  -4.890   5.975
  529   3HG2  THR  83          3HG2      THR  83  10.258  -6.069   7.134
  530    H    LYS  84           H        LYS  84  10.594  -6.350   1.391
  531    HA   LYS  84           HA       LYS  84   7.965  -6.024   0.542
  532   1HB   LYS  84          1HB       LYS  84  10.611  -6.288  -0.672
  533   2HB   LYS  84          2HB       LYS  84   9.324  -6.903  -1.693
  534   1HG   LYS  84          1HG       LYS  84   8.550  -4.856  -2.153
  535   2HG   LYS  84          2HG       LYS  84   8.735  -4.309  -0.487
  536   1HD   LYS  84          1HD       LYS  84  10.179  -3.043  -2.000
  537   2HD   LYS  84          2HD       LYS  84  11.127  -3.984  -0.849
  538   1HE   LYS  84          1HE       LYS  84  11.889  -3.985  -3.289
  539   2HE   LYS  84          2HE       LYS  84  11.767  -5.543  -2.472
  540   1HZ   LYS  84          1HZ       LYS  84   9.698  -4.390  -4.268
  541   2HZ   LYS  84          2HZ       LYS  84  10.813  -5.585  -4.708
  542   3HZ   LYS  84          3HZ       LYS  84   9.644  -5.912  -3.530
  543    HA   PRO  85           HA       PRO  85   5.896  -9.890   0.053
  544   1HB   PRO  85          1HB       PRO  85   6.017  -9.385  -2.895
  545   2HB   PRO  85          2HB       PRO  85   4.650  -9.902  -1.900
  546   1HG   PRO  85          1HG       PRO  85   4.873  -7.370  -2.702
  547   2HG   PRO  85          2HG       PRO  85   4.262  -7.769  -1.086
  548   1HD   PRO  85          1HD       PRO  85   6.874  -6.622  -1.889
  549   2HD   PRO  85          2HD       PRO  85   5.982  -6.445  -0.367
  550    H    ALA  86           H        ALA  86   7.174 -11.589   0.511
  551    HA   ALA  86           HA       ALA  86   8.835 -12.671  -1.657
  552   1HB   ALA  86          2HB       ALA  86   9.942 -11.451   0.522
  553   2HB   ALA  86          3HB       ALA  86  10.738 -12.668  -0.475
  554   3HB   ALA  86          1HB       ALA  86   9.924 -13.144   1.015

  No H/Q in entry =         554
  Start of MODEL   13
    1    H1   GLY  16           H1       GLY  16 -11.824 -10.673   9.146
    2    H2   GLY  16           H2       GLY  16 -13.069 -10.143  10.163
    3    H3   GLY  16           H3       GLY  16 -13.433 -11.034   8.772
    4   1HA   GLY  16          1HA       GLY  16 -12.262  -8.307   8.844
    5   2HA   GLY  16          2HA       GLY  16 -13.921  -8.701   8.421
    6    H    ARG  17           H        ARG  17 -12.629  -7.261   6.621
    7    HA   ARG  17           HA       ARG  17 -11.482  -9.069   4.635
    8   1HB   ARG  17          1HB       ARG  17 -13.085  -7.553   3.038
    9   2HB   ARG  17          2HB       ARG  17 -13.468  -9.180   3.584
   10   1HG   ARG  17          1HG       ARG  17 -15.179  -8.470   4.804
   11   2HG   ARG  17          2HG       ARG  17 -14.222  -7.176   5.527
   12   1HD   ARG  17          1HD       ARG  17 -15.026  -5.633   4.111
   13   2HD   ARG  17          2HD       ARG  17 -14.898  -6.712   2.722
   14    HE   ARG  17           HE       ARG  17 -17.025  -7.731   3.933
   15   1HH1  ARG  17          1HH1      ARG  17 -16.183  -4.408   3.301
   16   2HH1  ARG  17          2HH1      ARG  17 -17.828  -3.880   3.184
   17   1HH2  ARG  17          1HH2      ARG  17 -19.193  -7.043   3.777
   18   2HH2  ARG  17          2HH2      ARG  17 -19.538  -5.376   3.454
   19    H    VAL  18           H        VAL  18 -10.040  -7.287   6.079
   20    HA   VAL  18           HA       VAL  18  -9.815  -4.724   4.871
   21    HB   VAL  18           HB       VAL  18  -7.469  -4.815   6.001
   22   1HG1  VAL  18          1HG1      VAL  18  -9.653  -3.697   6.764
   23   2HG1  VAL  18          2HG1      VAL  18  -9.792  -5.055   7.878
   24   3HG1  VAL  18          3HG1      VAL  18  -8.398  -3.980   7.968
   25   1HG2  VAL  18          1HG2      VAL  18  -7.835  -7.411   6.220
   26   2HG2  VAL  18          2HG2      VAL  18  -6.988  -6.506   7.475
   27   3HG2  VAL  18          3HG2      VAL  18  -8.683  -6.945   7.694
   28    H    ARG  19           H        ARG  19  -9.372  -4.600   2.757
   29    HA   ARG  19           HA       ARG  19  -6.812  -5.648   1.844
   30   1HB   ARG  19          1HB       ARG  19  -7.836  -6.530  -0.247
   31   2HB   ARG  19          2HB       ARG  19  -8.308  -7.421   1.193
   32   1HG   ARG  19          1HG       ARG  19 -10.476  -6.712   1.093
   33   2HG   ARG  19          2HG       ARG  19 -10.062  -5.208   0.269
   34   1HD   ARG  19          1HD       ARG  19  -9.681  -6.387  -1.795
   35   2HD   ARG  19          2HD       ARG  19  -9.914  -7.941  -0.995
   36    HE   ARG  19           HE       ARG  19 -12.082  -5.957  -1.209
   37   1HH1  ARG  19          1HH1      ARG  19 -10.852  -9.194  -1.594
   38   2HH1  ARG  19          2HH1      ARG  19 -12.389  -9.863  -2.031
   39   1HH2  ARG  19          1HH2      ARG  19 -14.106  -6.827  -1.781
   40   2HH2  ARG  19          2HH2      ARG  19 -14.239  -8.517  -2.137
   41    H    TRP  20           H        TRP  20  -7.456  -3.045   2.465
   42    HA   TRP  20           HA       TRP  20  -7.230  -1.758  -0.148
   43   1HB   TRP  20          1HB       TRP  20  -9.091  -0.852   2.060
   44   2HB   TRP  20          2HB       TRP  20  -8.724   0.078   0.611
   45    HD1  TRP  20           HD1      TRP  20 -10.375  -3.253   1.642
   46    HE1  TRP  20           HE1      TRP  20 -12.079  -3.896  -0.193
   47    HE3  TRP  20           HE3      TRP  20  -9.454   0.516  -1.687
   48    HZ2  TRP  20           HZ2      TRP  20 -12.899  -2.924  -2.718
   49    HZ3  TRP  20           HZ3      TRP  20 -10.743   0.592  -3.781
   50    HH2  TRP  20           HH2      TRP  20 -12.436  -1.094  -4.282
   51    H    ALA  21           H        ALA  21  -6.197   0.372  -0.022
   52    HA   ALA  21           HA       ALA  21  -4.686   0.726   2.471
   53   1HB   ALA  21          1HB       ALA  21  -2.738   1.393   1.090
   54   2HB   ALA  21          3HB       ALA  21  -3.202  -0.294   0.873
   55   3HB   ALA  21          2HB       ALA  21  -3.631   0.902  -0.348
   56    H    ARG  22           H        ARG  22  -5.603   2.530   3.298
   57    HA   ARG  22           HA       ARG  22  -6.014   4.793   1.475
   58   1HB   ARG  22          1HB       ARG  22  -8.033   4.530   2.587
   59   2HB   ARG  22          2HB       ARG  22  -7.268   4.027   4.090
   60   1HG   ARG  22          1HG       ARG  22  -6.394   6.457   4.187
   61   2HG   ARG  22          2HG       ARG  22  -7.645   6.784   2.988
   62   1HD   ARG  22          1HD       ARG  22  -8.405   7.217   5.291
   63   2HD   ARG  22          2HD       ARG  22  -9.352   5.966   4.488
   64    HE   ARG  22           HE       ARG  22  -7.156   5.032   6.137
   65   1HH1  ARG  22          1HH1      ARG  22 -10.562   5.735   5.909
   66   2HH1  ARG  22          2HH1      ARG  22 -10.991   4.727   7.251
   67   1HH2  ARG  22          1HH2      ARG  22  -7.712   3.703   7.905
   68   2HH2  ARG  22          2HH2      ARG  22  -9.371   3.573   8.385
   69    H    ALA  23           H        ALA  23  -4.304   6.000   1.344
   70    HA   ALA  23           HA       ALA  23  -2.328   6.117   3.408
   71   1HB   ALA  23          3HB       ALA  23  -0.980   7.156   1.882
   72   2HB   ALA  23          2HB       ALA  23  -2.317   8.024   1.125
   73   3HB   ALA  23          1HB       ALA  23  -2.088   6.304   0.805
   74    H    LEU  24           H        LEU  24  -2.374   7.356   5.118
   75    HA   LEU  24           HA       LEU  24  -4.089   9.710   5.212
   76   1HB   LEU  24          1HB       LEU  24  -2.303   8.916   7.469
   77   2HB   LEU  24          2HB       LEU  24  -3.914   9.606   7.517
   78    HG   LEU  24           HG       LEU  24  -3.572   6.823   6.490
   79   1HD1  LEU  24          1HD1      LEU  24  -2.801   7.686   9.123
   80   2HD1  LEU  24          2HD1      LEU  24  -4.181   6.591   9.202
   81   3HD1  LEU  24          3HD1      LEU  24  -2.700   6.085   8.390
   82   1HD2  LEU  24          1HD2      LEU  24  -5.724   8.460   6.821
   83   2HD2  LEU  24          2HD2      LEU  24  -5.793   6.699   6.761
   84   3HD2  LEU  24          3HD2      LEU  24  -5.747   7.527   8.317
   85    H    TYR  25           H        TYR  25  -0.893   8.766   4.685
   86    HA   TYR  25           HA       TYR  25   0.017  11.553   4.601
   87   1HB   TYR  25          1HB       TYR  25   2.026   9.465   5.283
   88   2HB   TYR  25          2HB       TYR  25   1.957  11.154   5.766
   89    HD1  TYR  25           HD1      TYR  25   1.678   7.871   6.901
   90    HD2  TYR  25           HD2      TYR  25  -0.087  11.710   7.405
   91    HE1  TYR  25           HE1      TYR  25   0.848   7.193   9.113
   92    HE2  TYR  25           HE2      TYR  25  -0.924  11.040   9.618
   93    HH   TYR  25           HH       TYR  25  -1.257   9.293  11.012
   94    H    ASP  26           H        ASP  26   2.292  11.470   3.355
   95    HA   ASP  26           HA       ASP  26   1.767  10.861   0.715
   96   1HB   ASP  26          1HB       ASP  26   3.863  12.025   2.119
   97   2HB   ASP  26          2HB       ASP  26   4.607  10.650   1.308
   98    H    PHE  27           H        PHE  27   3.600   9.434  -0.517
   99    HA   PHE  27           HA       PHE  27   3.055   6.694   0.357
  100   1HB   PHE  27          1HB       PHE  27   3.338   6.046  -1.913
  101   2HB   PHE  27          2HB       PHE  27   2.381   7.525  -1.931
  102    HD1  PHE  27           HD1      PHE  27   3.346   9.622  -2.706
  103    HD2  PHE  27           HD2      PHE  27   5.554   5.987  -2.804
  104    HE1  PHE  27           HE1      PHE  27   4.965  10.657  -4.245
  105    HE2  PHE  27           HE2      PHE  27   7.181   7.016  -4.345
  106    HZ   PHE  27           HZ       PHE  27   6.886   9.353  -5.067
  107    H    GLU  28           H        GLU  28   4.630   5.107   0.474
  108    HA   GLU  28           HA       GLU  28   7.370   6.092   0.859
  109   1HB   GLU  28          1HB       GLU  28   6.155   3.456   1.697
  110   2HB   GLU  28          2HB       GLU  28   7.739   4.069   2.153
  111   1HG   GLU  28          1HG       GLU  28   5.703   5.966   2.848
  112   2HG   GLU  28          2HG       GLU  28   5.320   4.381   3.511
  113    H    ALA  29           H        ALA  29   5.807   5.037  -1.677
  114    HA   ALA  29           HA       ALA  29   7.249   2.739  -2.517
  115   1HB   ALA  29          2HB       ALA  29   6.167   2.970  -4.589
  116   2HB   ALA  29          3HB       ALA  29   5.937   4.705  -4.368
  117   3HB   ALA  29          1HB       ALA  29   5.013   3.561  -3.393
  118    H    LEU  30           H        LEU  30   9.411   2.843  -2.624
  119    HA   LEU  30           HA       LEU  30  10.621   5.108  -4.062
  120   1HB   LEU  30          1HB       LEU  30  12.123   3.177  -2.319
  121   2HB   LEU  30          2HB       LEU  30  12.606   4.780  -2.839
  122    HG   LEU  30           HG       LEU  30  10.309   4.280  -0.952
  123   1HD1  LEU  30          1HD1      LEU  30  13.213   4.369  -0.480
  124   2HD1  LEU  30          2HD1      LEU  30  12.227   5.358   0.597
  125   3HD1  LEU  30          3HD1      LEU  30  11.927   3.624   0.470
  126   1HD2  LEU  30          1HD2      LEU  30  11.516   6.632  -2.209
  127   2HD2  LEU  30          2HD2      LEU  30   9.915   6.416  -1.503
  128   3HD2  LEU  30          3HD2      LEU  30  11.297   6.771  -0.465
  129    H    GLU  31           H        GLU  31   9.686   1.977  -4.526
  130    HA   GLU  31           HA       GLU  31  11.924   1.426  -6.367
  131   1HB   GLU  31          1HB       GLU  31  10.393  -0.253  -4.564
  132   2HB   GLU  31          2HB       GLU  31  10.388  -0.891  -6.202
  133   1HG   GLU  31          1HG       GLU  31  12.914  -0.073  -4.808
  134   2HG   GLU  31          2HG       GLU  31  12.227  -1.688  -4.652
  135    H    GLU  32           H        GLU  32  11.369   0.312  -8.397
  136    HA   GLU  32           HA       GLU  32   9.363   1.747  -9.810
  137   1HB   GLU  32          1HB       GLU  32  10.012   0.321 -11.726
  138   2HB   GLU  32          2HB       GLU  32  11.396   1.060 -10.934
  139   1HG   GLU  32          1HG       GLU  32  11.184  -1.328  -9.622
  140   2HG   GLU  32          2HG       GLU  32  10.699  -1.751 -11.263
  141    H    ASP  33           H        ASP  33   9.619  -1.573  -8.616
  142    HA   ASP  33           HA       ASP  33   7.121  -2.404  -9.741
  143   1HB   ASP  33          1HB       ASP  33   7.598  -4.218  -7.758
  144   2HB   ASP  33          2HB       ASP  33   8.270  -4.318  -9.383
  145    H    GLU  34           H        GLU  34   7.695  -0.211  -7.453
  146    HA   GLU  34           HA       GLU  34   5.453  -1.011  -5.737
  147   1HB   GLU  34          1HB       GLU  34   7.690   0.968  -5.328
  148   2HB   GLU  34          2HB       GLU  34   6.296   0.871  -4.261
  149   1HG   GLU  34          1HG       GLU  34   6.858  -1.353  -3.613
  150   2HG   GLU  34          2HG       GLU  34   8.125  -1.445  -4.835
  151    H    LEU  35           H        LEU  35   3.847   0.550  -5.184
  152    HA   LEU  35           HA       LEU  35   3.449   2.575  -7.284
  153   1HB   LEU  35          1HB       LEU  35   1.294   1.975  -7.475
  154   2HB   LEU  35          2HB       LEU  35   1.835   0.476  -6.752
  155    HG   LEU  35           HG       LEU  35   1.057   2.497  -4.776
  156   1HD1  LEU  35          1HD1      LEU  35  -0.995   1.408  -6.694
  157   2HD1  LEU  35          2HD1      LEU  35  -1.347   2.248  -5.183
  158   3HD1  LEU  35          3HD1      LEU  35  -0.536   3.100  -6.498
  159   1HD2  LEU  35          1HD2      LEU  35   0.613  -0.411  -5.314
  160   2HD2  LEU  35          2HD2      LEU  35   1.374   0.368  -3.927
  161   3HD2  LEU  35          3HD2      LEU  35  -0.378   0.434  -4.124
  162    H    GLY  36           H        GLY  36   2.934   4.651  -6.720
  163   1HA   GLY  36          1HA       GLY  36   3.699   6.301  -5.102
  164   2HA   GLY  36          2HA       GLY  36   3.120   5.234  -3.836
  165    H    PHE  37           H        PHE  37   1.536   6.213  -2.824
  166    HA   PHE  37           HA       PHE  37  -0.610   7.455  -4.415
  167   1HB   PHE  37          1HB       PHE  37  -1.822   7.074  -2.070
  168   2HB   PHE  37          2HB       PHE  37  -1.811   5.842  -3.324
  169    HD1  PHE  37           HD1      PHE  37  -1.548   3.738  -2.483
  170    HD2  PHE  37           HD2      PHE  37   0.556   6.951  -0.652
  171    HE1  PHE  37           HE1      PHE  37  -0.536   2.163  -0.889
  172    HE2  PHE  37           HE2      PHE  37   1.577   5.380   0.942
  173    HZ   PHE  37           HZ       PHE  37   1.030   2.983   0.824
  174    H    ARG  38           H        ARG  38  -1.944   8.897  -2.635
  175    HA   ARG  38           HA       ARG  38   0.039  10.614  -1.310
  176   1HB   ARG  38          1HB       ARG  38  -2.278  11.601  -2.977
  177   2HB   ARG  38          2HB       ARG  38  -1.144  12.608  -2.085
  178   1HG   ARG  38          1HG       ARG  38   0.006  12.717  -3.987
  179   2HG   ARG  38          2HG       ARG  38   0.520  11.075  -3.616
  180   1HD   ARG  38          1HD       ARG  38  -0.325  10.599  -5.640
  181   2HD   ARG  38          2HD       ARG  38  -1.870  10.603  -4.790
  182    HE   ARG  38           HE       ARG  38  -0.807  12.808  -6.421
  183   1HH1  ARG  38          1HH1      ARG  38  -3.452  11.214  -4.804
  184   2HH1  ARG  38          2HH1      ARG  38  -4.663  12.244  -5.493
  185   1HH2  ARG  38          1HH2      ARG  38  -2.394  14.169  -7.331
  186   2HH2  ARG  38          2HH2      ARG  38  -4.061  13.923  -6.929
  187    H    SER  39           H        SER  39  -1.116  12.257   0.161
  188    HA   SER  39           HA       SER  39  -2.418  10.892   2.192
  189   1HB   SER  39          1HB       SER  39  -3.129  13.265   2.932
  190   2HB   SER  39          2HB       SER  39  -1.406  12.917   2.811
  191    HG   SER  39           HG       SER  39  -1.251  14.174   1.081
  192    H    GLY  40           H        GLY  40  -4.537  10.765   2.901
  193   1HA   GLY  40          1HA       GLY  40  -6.781  11.992   1.861
  194   2HA   GLY  40          2HA       GLY  40  -6.787  10.419   2.639
  195    H    GLU  41           H        GLU  41  -5.533   8.768   0.936
  196    HA   GLU  41           HA       GLU  41  -7.207   8.950  -1.477
  197   1HB   GLU  41          1HB       GLU  41  -4.300   8.181  -1.298
  198   2HB   GLU  41          2HB       GLU  41  -5.301   7.778  -2.686
  199   1HG   GLU  41          1HG       GLU  41  -4.923  10.588  -1.691
  200   2HG   GLU  41          2HG       GLU  41  -3.888   9.840  -2.906
  201    H    VAL  42           H        VAL  42  -8.073   7.063  -2.262
  202    HA   VAL  42           HA       VAL  42  -7.990   4.792  -0.408
  203    HB   VAL  42           HB       VAL  42  -9.951   5.321  -2.645
  204   1HG1  VAL  42          1HG1      VAL  42  -9.490   3.077  -0.858
  205   2HG1  VAL  42          2HG1      VAL  42 -11.141   3.690  -0.766
  206   3HG1  VAL  42          3HG1      VAL  42 -10.475   3.179  -2.317
  207   1HG2  VAL  42          1HG2      VAL  42  -9.721   6.552  -0.086
  208   2HG2  VAL  42          2HG2      VAL  42 -10.955   6.793  -1.322
  209   3HG2  VAL  42          3HG2      VAL  42 -11.164   5.538  -0.100
  210    H    VAL  43           H        VAL  43  -7.207   2.848  -0.981
  211    HA   VAL  43           HA       VAL  43  -6.531   2.384  -3.810
  212    HB   VAL  43           HB       VAL  43  -4.773   1.685  -1.458
  213   1HG1  VAL  43          1HG1      VAL  43  -4.772   0.163  -3.503
  214   2HG1  VAL  43          2HG1      VAL  43  -4.042   1.518  -4.363
  215   3HG1  VAL  43          3HG1      VAL  43  -3.218   0.808  -2.975
  216   1HG2  VAL  43          1HG2      VAL  43  -5.021   4.104  -2.982
  217   2HG2  VAL  43          2HG2      VAL  43  -3.991   3.758  -1.594
  218   3HG2  VAL  43          3HG2      VAL  43  -3.427   3.390  -3.223
  219    H    GLU  44           H        GLU  44  -6.783   0.310  -4.560
  220    HA   GLU  44           HA       GLU  44  -8.219  -1.529  -2.784
  221   1HB   GLU  44          1HB       GLU  44  -9.158  -0.902  -5.038
  222   2HB   GLU  44          2HB       GLU  44  -7.809  -1.754  -5.770
  223   1HG   GLU  44          1HG       GLU  44  -8.540  -3.821  -4.650
  224   2HG   GLU  44          2HG       GLU  44  -9.932  -2.950  -4.007
  225    H    VAL  45           H        VAL  45  -6.956  -2.929  -1.719
  226    HA   VAL  45           HA       VAL  45  -4.351  -3.653  -2.705
  227    HB   VAL  45           HB       VAL  45  -5.862  -4.631  -0.282
  228   1HG1  VAL  45          1HG1      VAL  45  -4.190  -6.262  -1.151
  229   2HG1  VAL  45          2HG1      VAL  45  -2.946  -5.033  -0.929
  230   3HG1  VAL  45          3HG1      VAL  45  -3.829  -5.655   0.465
  231   1HG2  VAL  45          1HG2      VAL  45  -4.342  -2.253  -0.832
  232   2HG2  VAL  45          2HG2      VAL  45  -5.261  -2.686   0.609
  233   3HG2  VAL  45          3HG2      VAL  45  -3.579  -3.191   0.452
  234    H    LEU  46           H        LEU  46  -3.740  -5.464  -3.710
  235    HA   LEU  46           HA       LEU  46  -5.832  -7.316  -4.542
  236   1HB   LEU  46          1HB       LEU  46  -3.407  -6.282  -5.691
  237   2HB   LEU  46          2HB       LEU  46  -3.367  -8.036  -5.697
  238    HG   LEU  46           HG       LEU  46  -5.708  -6.492  -6.790
  239   1HD1  LEU  46          1HD1      LEU  46  -3.067  -6.577  -7.843
  240   2HD1  LEU  46          2HD1      LEU  46  -4.120  -7.537  -8.882
  241   3HD1  LEU  46          3HD1      LEU  46  -4.515  -5.852  -8.542
  242   1HD2  LEU  46          1HD2      LEU  46  -4.885  -9.310  -6.624
  243   2HD2  LEU  46          2HD2      LEU  46  -6.494  -8.600  -6.741
  244   3HD2  LEU  46          3HD2      LEU  46  -5.510  -8.797  -8.191
  245    H    ASP  47           H        ASP  47  -3.068  -7.170  -2.459
  246    HA   ASP  47           HA       ASP  47  -3.681  -9.769  -1.396
  247   1HB   ASP  47          1HB       ASP  47  -1.726  -9.592  -3.437
  248   2HB   ASP  47          2HB       ASP  47  -0.870  -9.879  -1.925
  249    H    SER  48           H        SER  48  -3.939  -8.835   0.589
  250    HA   SER  48           HA       SER  48  -1.890  -7.140   1.752
  251   1HB   SER  48          1HB       SER  48  -3.881  -8.191   3.604
  252   2HB   SER  48          2HB       SER  48  -3.510  -6.518   3.186
  253    HG   SER  48           HG       SER  48  -4.704  -7.194   1.119
  254    H    SER  49           H        SER  49  -1.862 -10.294   1.124
  255    HA   SER  49           HA       SER  49  -1.056 -11.252   3.713
  256   1HB   SER  49          1HB       SER  49  -1.983 -12.851   2.128
  257   2HB   SER  49          2HB       SER  49  -0.742 -12.446   0.943
  258    HG   SER  49           HG       SER  49   0.333 -14.007   1.842
  259    H    ASN  50           H        ASN  50   0.698 -10.580   4.583
  260    HA   ASN  50           HA       ASN  50   3.283 -10.975   3.939
  261   1HB   ASN  50          1HB       ASN  50   2.168  -8.737   2.418
  262   2HB   ASN  50          2HB       ASN  50   3.616  -8.305   3.321
  263   1HD2  ASN  50          1HD2      ASN  50   2.802  -8.887   0.403
  264   2HD2  ASN  50          2HD2      ASN  50   4.096  -9.869  -0.174
  265    HA   PRO  51           HA       PRO  51   3.363  -8.920   7.853
  266   1HB   PRO  51          1HB       PRO  51   5.965  -8.961   8.434
  267   2HB   PRO  51          2HB       PRO  51   5.055 -10.460   8.217
  268   1HG   PRO  51          1HG       PRO  51   6.968  -9.122   6.370
  269   2HG   PRO  51          2HG       PRO  51   6.674 -10.850   6.625
  270   1HD   PRO  51          1HD       PRO  51   5.624  -9.248   4.550
  271   2HD   PRO  51          2HD       PRO  51   5.123 -10.897   4.971
  272    H    SER  52           H        SER  52   4.186  -7.166   5.193
  273    HA   SER  52           HA       SER  52   4.161  -4.712   6.603
  274   1HB   SER  52          1HB       SER  52   6.749  -5.917   6.262
  275   2HB   SER  52          2HB       SER  52   6.668  -4.408   5.352
  276    HG   SER  52           HG       SER  52   5.548  -3.866   7.628
  277    H    TRP  53           H        TRP  53   5.613  -6.000   3.594
  278    HA   TRP  53           HA       TRP  53   4.409  -3.769   2.135
  279   1HB   TRP  53          1HB       TRP  53   6.594  -5.734   1.551
  280   2HB   TRP  53          2HB       TRP  53   5.788  -4.919   0.216
  281    HD1  TRP  53           HD1      TRP  53   8.294  -4.345   2.992
  282    HE1  TRP  53           HE1      TRP  53   9.334  -2.007   2.721
  283    HE3  TRP  53           HE3      TRP  53   5.212  -2.502  -0.648
  284    HZ2  TRP  53           HZ2      TRP  53   8.902   0.313   1.173
  285    HZ3  TRP  53           HZ3      TRP  53   5.592  -0.215  -1.468
  286    HH2  TRP  53           HH2      TRP  53   7.399   1.163  -0.576
  287    H    TRP  54           H        TRP  54   2.425  -4.071   1.322
  288    HA   TRP  54           HA       TRP  54   1.681  -6.769   0.404
  289   1HB   TRP  54          1HB       TRP  54  -0.203  -4.470   0.963
  290   2HB   TRP  54          2HB       TRP  54  -0.628  -6.140   0.612
  291    HD1  TRP  54           HD1      TRP  54   1.753  -7.122   2.809
  292    HE1  TRP  54           HE1      TRP  54   0.986  -7.194   5.256
  293    HE3  TRP  54           HE3      TRP  54  -2.284  -4.020   2.476
  294    HZ2  TRP  54           HZ2      TRP  54  -1.052  -6.056   6.855
  295    HZ3  TRP  54           HZ3      TRP  54  -3.589  -3.555   4.509
  296    HH2  TRP  54           HH2      TRP  54  -2.984  -4.554   6.653
  297    H    THR  55           H        THR  55   0.897  -7.090  -1.655
  298    HA   THR  55           HA       THR  55   1.578  -5.046  -3.595
  299    HB   THR  55           HB       THR  55   0.253  -7.629  -4.338
  300    HG1  THR  55           HG1      THR  55   2.664  -7.335  -3.023
  301   1HG2  THR  55          1HG2      THR  55   0.972  -5.733  -5.945
  302   2HG2  THR  55          2HG2      THR  55   2.611  -6.318  -5.652
  303   3HG2  THR  55          3HG2      THR  55   1.403  -7.394  -6.355
  304    H    GLY  56           H        GLY  56   0.166  -3.523  -4.161
  305   1HA   GLY  56          1HA       GLY  56  -2.300  -2.963  -3.444
  306   2HA   GLY  56          2HA       GLY  56  -2.637  -4.253  -4.595
  307    H    ARG  57           H        ARG  57  -3.817  -2.002  -5.256
  308    HA   ARG  57           HA       ARG  57  -2.044  -0.442  -6.965
  309   1HB   ARG  57          1HB       ARG  57  -3.480  -0.760  -8.945
  310   2HB   ARG  57          2HB       ARG  57  -2.706  -2.254  -8.419
  311   1HG   ARG  57          1HG       ARG  57  -4.662  -3.257  -8.023
  312   2HG   ARG  57          2HG       ARG  57  -5.342  -1.829  -7.240
  313   1HD   ARG  57          1HD       ARG  57  -5.085  -1.214  -9.981
  314   2HD   ARG  57          2HD       ARG  57  -5.787  -2.826  -9.883
  315    HE   ARG  57           HE       ARG  57  -6.941  -0.386  -8.718
  316   1HH1  ARG  57          1HH1      ARG  57  -7.242  -3.692  -9.776
  317   2HH1  ARG  57          2HH1      ARG  57  -8.967  -3.719  -9.623
  318   1HH2  ARG  57          1HH2      ARG  57  -9.212  -0.412  -8.513
  319   2HH2  ARG  57          2HH2      ARG  57 -10.086  -1.856  -8.906
  320    H    LEU  58           H        LEU  58  -2.644   1.615  -7.255
  321    HA   LEU  58           HA       LEU  58  -5.142   2.497  -5.977
  322   1HB   LEU  58          1HB       LEU  58  -3.342   3.579  -4.928
  323   2HB   LEU  58          2HB       LEU  58  -2.481   3.812  -6.436
  324    HG   LEU  58           HG       LEU  58  -5.035   5.233  -6.354
  325   1HD1  LEU  58          1HD1      LEU  58  -3.363   5.335  -4.020
  326   2HD1  LEU  58          2HD1      LEU  58  -3.416   6.905  -4.821
  327   3HD1  LEU  58          3HD1      LEU  58  -4.914   6.115  -4.326
  328   1HD2  LEU  58          1HD2      LEU  58  -2.876   5.389  -7.874
  329   2HD2  LEU  58          2HD2      LEU  58  -3.888   6.794  -7.547
  330   3HD2  LEU  58          3HD2      LEU  58  -2.396   6.553  -6.639
  331    H    HIS  59           H        HIS  59  -6.745   2.863  -7.356
  332    HA   HIS  59           HA       HIS  59  -7.932   3.607  -9.145
  333   1HB   HIS  59          1HB       HIS  59  -5.417   5.217  -9.580
  334   2HB   HIS  59          2HB       HIS  59  -6.816   5.343 -10.640
  335    HD1  HIS  59           HD1      HIS  59  -7.202   7.805  -9.957
  336    HD2  HIS  59           HD2      HIS  59  -7.430   5.113  -6.799
  337    HE1  HIS  59           HE1      HIS  59  -8.226   9.088  -8.052
  338    HE2  HIS  59           HE2      HIS  59  -8.292   7.458  -6.132
  339    H    ASN  60           H        ASN  60  -4.750   3.664 -10.728
  340    HA   ASN  60           HA       ASN  60  -5.424   1.200 -12.141
  341   1HB   ASN  60          1HB       ASN  60  -5.924   3.642 -13.318
  342   2HB   ASN  60          2HB       ASN  60  -4.334   3.229 -13.949
  343   1HD2  ASN  60          1HD2      ASN  60  -4.863   2.748 -15.989
  344   2HD2  ASN  60          2HD2      ASN  60  -5.908   1.454 -16.445
  345    H    LYS  61           H        LYS  61  -3.270   2.620 -10.289
  346    HA   LYS  61           HA       LYS  61  -0.902   1.787 -11.813
  347   1HB   LYS  61          1HB       LYS  61  -0.975   3.205  -9.145
  348   2HB   LYS  61          2HB       LYS  61   0.405   3.019 -10.215
  349   1HG   LYS  61          1HG       LYS  61  -0.807   4.403 -11.900
  350   2HG   LYS  61          2HG       LYS  61  -2.041   4.704 -10.674
  351   1HD   LYS  61          1HD       LYS  61   0.568   5.197  -9.584
  352   2HD   LYS  61          2HD       LYS  61   0.360   6.109 -11.080
  353   1HE   LYS  61          1HE       LYS  61  -1.976   6.190  -9.338
  354   2HE   LYS  61          2HE       LYS  61  -0.527   6.860  -8.589
  355   1HZ   LYS  61          1HZ       LYS  61  -1.397   7.658 -11.303
  356   2HZ   LYS  61          2HZ       LYS  61  -1.974   8.436  -9.917
  357   3HZ   LYS  61          3HZ       LYS  61  -0.319   8.454 -10.268
  358    H    LEU  62           H        LEU  62   0.021  -0.128 -11.383
  359    HA   LEU  62           HA       LEU  62  -0.829  -1.536  -8.950
  360   1HB   LEU  62          1HB       LEU  62   0.582  -2.791 -11.285
  361   2HB   LEU  62          2HB       LEU  62  -0.370  -3.575 -10.039
  362    HG   LEU  62           HG       LEU  62  -1.835  -1.623 -11.699
  363   1HD1  LEU  62          1HD1      LEU  62  -0.597  -4.107 -12.833
  364   2HD1  LEU  62          2HD1      LEU  62  -2.113  -3.462 -13.462
  365   3HD1  LEU  62          3HD1      LEU  62  -0.649  -2.481 -13.514
  366   1HD2  LEU  62          1HD2      LEU  62  -2.448  -3.632  -9.910
  367   2HD2  LEU  62          2HD2      LEU  62  -3.579  -2.819 -10.992
  368   3HD2  LEU  62          3HD2      LEU  62  -2.834  -4.341 -11.478
  369    H    GLY  63           H        GLY  63   0.618  -2.470  -7.553
  370   1HA   GLY  63          1HA       GLY  63   3.190  -1.200  -7.397
  371   2HA   GLY  63          2HA       GLY  63   3.292  -2.905  -7.806
  372    H    LEU  64           H        LEU  64   4.364  -1.736  -5.460
  373    HA   LEU  64           HA       LEU  64   2.725  -3.097  -3.426
  374   1HB   LEU  64          1HB       LEU  64   5.506  -2.584  -2.712
  375   2HB   LEU  64          2HB       LEU  64   4.571  -4.061  -2.593
  376    HG   LEU  64           HG       LEU  64   5.690  -3.112  -5.218
  377   1HD1  LEU  64          1HD1      LEU  64   7.260  -3.737  -3.045
  378   2HD1  LEU  64          2HD1      LEU  64   7.157  -5.261  -3.927
  379   3HD1  LEU  64          3HD1      LEU  64   7.749  -3.811  -4.738
  380   1HD2  LEU  64          1HD2      LEU  64   3.907  -5.091  -4.617
  381   2HD2  LEU  64          2HD2      LEU  64   4.930  -5.045  -6.053
  382   3HD2  LEU  64          3HD2      LEU  64   5.438  -5.965  -4.637
  383    H    PHE  65           H        PHE  65   2.668  -2.196  -1.288
  384    HA   PHE  65           HA       PHE  65   3.501   0.600  -1.054
  385   1HB   PHE  65          1HB       PHE  65   1.395   1.449  -0.599
  386   2HB   PHE  65          2HB       PHE  65   1.018   0.250  -1.836
  387    HD1  PHE  65           HD1      PHE  65  -0.235  -1.734  -1.286
  388    HD2  PHE  65           HD2      PHE  65   0.850   1.073   1.716
  389    HE1  PHE  65           HE1      PHE  65  -1.798  -2.810   0.277
  390    HE2  PHE  65           HE2      PHE  65  -0.695   0.013   3.288
  391    HZ   PHE  65           HZ       PHE  65  -2.032  -1.939   2.576
  392    HA   PRO  66           HA       PRO  66   4.385  -0.498   3.161
  393   1HB   PRO  66          1HB       PRO  66   4.158   1.807   4.447
  394   2HB   PRO  66          2HB       PRO  66   5.350   1.632   3.149
  395   1HG   PRO  66          1HG       PRO  66   2.582   2.809   3.008
  396   2HG   PRO  66          2HG       PRO  66   4.107   3.520   2.458
  397   1HD   PRO  66          1HD       PRO  66   2.450   2.240   0.765
  398   2HD   PRO  66          2HD       PRO  66   4.211   2.174   0.588
  399    H    ALA  67           H        ALA  67   3.006  -1.803   4.280
  400    HA   ALA  67           HA       ALA  67   0.266  -1.133   4.733
  401   1HB   ALA  67          3HB       ALA  67   1.189  -3.464   4.502
  402   2HB   ALA  67          1HB       ALA  67   1.825  -3.289   6.137
  403   3HB   ALA  67          2HB       ALA  67   0.086  -3.212   5.854
  404    H    ASN  68           H        ASN  68   3.135  -0.227   6.271
  405    HA   ASN  68           HA       ASN  68   1.915   0.094   8.891
  406   1HB   ASN  68          1HB       ASN  68   4.256   1.109   9.351
  407   2HB   ASN  68          2HB       ASN  68   4.116  -0.627   9.123
  408   1HD2  ASN  68          1HD2      ASN  68   5.115   2.388   7.684
  409   2HD2  ASN  68          2HD2      ASN  68   6.119   1.702   6.467
  410    H    TYR  69           H        TYR  69   2.619   1.930   6.050
  411    HA   TYR  69           HA       TYR  69   2.465   4.490   7.381
  412   1HB   TYR  69          1HB       TYR  69   3.540   3.629   4.980
  413   2HB   TYR  69          2HB       TYR  69   2.121   4.547   4.487
  414    HD1  TYR  69           HD1      TYR  69   2.509   6.757   3.991
  415    HD2  TYR  69           HD2      TYR  69   4.883   4.899   6.994
  416    HE1  TYR  69           HE1      TYR  69   3.757   8.853   4.294
  417    HE2  TYR  69           HE2      TYR  69   6.137   6.990   7.305
  418    HH   TYR  69           HH       TYR  69   5.114   9.929   6.210
  419    H    VAL  70           H        VAL  70   0.376   2.502   5.311
  420    HA   VAL  70           HA       VAL  70  -1.841   4.317   6.034
  421    HB   VAL  70           HB       VAL  70  -2.692   4.322   3.930
  422   1HG1  VAL  70          1HG1      VAL  70  -0.096   4.865   3.979
  423   2HG1  VAL  70          2HG1      VAL  70  -0.051   3.507   2.855
  424   3HG1  VAL  70          3HG1      VAL  70  -1.038   4.922   2.490
  425   1HG2  VAL  70          1HG2      VAL  70  -1.549   1.561   3.634
  426   2HG2  VAL  70          2HG2      VAL  70  -3.242   2.060   3.638
  427   3HG2  VAL  70          3HG2      VAL  70  -2.210   2.452   2.262
  428    H    ALA  71           H        ALA  71  -3.997   3.303   6.057
  429    HA   ALA  71           HA       ALA  71  -3.880   0.445   6.799
  430   1HB   ALA  71          3HB       ALA  71  -5.404   2.641   8.192
  431   2HB   ALA  71          1HB       ALA  71  -4.037   1.727   8.829
  432   3HB   ALA  71          2HB       ALA  71  -5.579   0.921   8.539
  433    HA   PRO  72           HA       PRO  72  -7.140  -0.296   3.930
  434   1HB   PRO  72          1HB       PRO  72  -8.328  -2.113   5.944
  435   2HB   PRO  72          2HB       PRO  72  -7.821  -2.441   4.283
  436   1HG   PRO  72          1HG       PRO  72  -6.377  -3.317   6.318
  437   2HG   PRO  72          2HG       PRO  72  -5.588  -2.669   4.870
  438   1HD   PRO  72          1HD       PRO  72  -6.034  -1.344   7.529
  439   2HD   PRO  72          2HD       PRO  72  -4.590  -1.325   6.493
  440    H    MET  73           H        MET  73  -9.598  -0.700   3.930
  441    HA   MET  73           HA       MET  73 -11.033   0.941   5.855
  442   1HB   MET  73          1HB       MET  73 -10.093   2.227   3.739
  443   2HB   MET  73          2HB       MET  73 -11.489   1.499   2.958
  444   1HG   MET  73          1HG       MET  73 -11.908   2.926   5.529
  445   2HG   MET  73          2HG       MET  73 -11.591   3.884   4.082
  446   1HE   MET  73          1HE       MET  73 -12.570   3.274   1.922
  447   2HE   MET  73          2HE       MET  73 -13.697   1.931   1.730
  448   3HE   MET  73          3HE       MET  73 -14.303   3.586   1.813
  449    H    MET  74           H        MET  74 -12.335  -0.735   6.489
  450    HA   MET  74           HA       MET  74 -13.459  -2.612   4.662
  451   1HB   MET  74          1HB       MET  74 -13.009  -3.117   7.048
  452   2HB   MET  74          2HB       MET  74 -14.293  -2.004   7.504
  453   1HG   MET  74          1HG       MET  74 -15.734  -3.520   5.923
  454   2HG   MET  74          2HG       MET  74 -14.467  -4.698   6.257
  455   1HE   MET  74          1HE       MET  74 -14.740  -6.330   7.817
  456   2HE   MET  74          2HE       MET  74 -15.887  -6.385   9.155
  457   3HE   MET  74          3HE       MET  74 -16.473  -6.366   7.492
  458    H    ARG  75           H        ARG  75 -14.892  -1.997   3.188
  459    HA   ARG  75           HA       ARG  75 -16.670   0.210   3.551
  460   1HB   ARG  75          1HB       ARG  75 -16.781  -1.929   1.419
  461   2HB   ARG  75          2HB       ARG  75 -17.504  -0.328   1.350
  462   1HG   ARG  75          1HG       ARG  75 -15.403   0.723   1.152
  463   2HG   ARG  75          2HG       ARG  75 -14.542  -0.748   1.606
  464   1HD   ARG  75          1HD       ARG  75 -14.263  -0.737  -0.680
  465   2HD   ARG  75          2HD       ARG  75 -15.700  -1.744  -0.506
  466    HE   ARG  75           HE       ARG  75 -16.000   1.125  -1.042
  467   1HH1  ARG  75          1HH1      ARG  75 -16.368  -2.191  -2.046
  468   2HH1  ARG  75          2HH1      ARG  75 -17.405  -1.807  -3.378
  469   1HH2  ARG  75          1HH2      ARG  75 -17.364   1.638  -2.795
  470   2HH2  ARG  75          2HH2      ARG  75 -17.971   0.369  -3.805
  471    H1   ALA  76           H1       ALA  76   6.377   8.012  13.284
  472    H2   ALA  76           H2       ALA  76   6.605   9.652  12.941
  473    H3   ALA  76           H3       ALA  76   5.049   8.990  12.904
  474    HA   ALA  76           HA       ALA  76   5.274   8.625  10.761
  475   1HB   ALA  76          1HB       ALA  76   8.204   9.271  11.075
  476   2HB   ALA  76          3HB       ALA  76   6.923  10.446  10.778
  477   3HB   ALA  76          2HB       ALA  76   7.297   9.224   9.562
  478    HA   PRO  77           HA       PRO  77   6.275   4.225  11.570
  479   1HB   PRO  77          1HB       PRO  77   4.830   3.528   9.262
  480   2HB   PRO  77          2HB       PRO  77   4.254   3.460  10.926
  481   1HG   PRO  77          1HG       PRO  77   3.806   5.532   8.849
  482   2HG   PRO  77          2HG       PRO  77   2.754   5.012  10.176
  483   1HD   PRO  77          1HD       PRO  77   4.088   7.344  10.252
  484   2HD   PRO  77          2HD       PRO  77   3.805   6.376  11.716
  485    H    SER  78           H        SER  78   8.150   3.398  10.922
  486    HA   SER  78           HA       SER  78   9.339   4.242   8.410
  487   1HB   SER  78          1HB       SER  78  10.502   3.885  10.770
  488   2HB   SER  78          2HB       SER  78  10.644   2.227  10.186
  489    HG   SER  78           HG       SER  78  12.420   3.116   9.375
  490    H    ILE  79           H        ILE  79   9.900   2.946   6.733
  491    HA   ILE  79           HA       ILE  79   8.513   0.361   6.681
  492    HB   ILE  79           HB       ILE  79   8.308   2.556   4.950
  493   1HG1  ILE  79          1HG1      ILE  79   6.578   0.916   5.586
  494   2HG1  ILE  79          2HG1      ILE  79   6.653   1.191   3.854
  495   1HG2  ILE  79          1HG2      ILE  79  10.325   1.821   3.788
  496   2HG2  ILE  79          2HG2      ILE  79   9.609   0.228   3.544
  497   3HG2  ILE  79          3HG2      ILE  79   8.897   1.642   2.767
  498   1HD1  ILE  79          1HD1      ILE  79   8.306  -0.946   4.135
  499   2HD1  ILE  79          2HD1      ILE  79   7.117  -1.241   5.404
  500   3HD1  ILE  79          3HD1      ILE  79   6.591  -1.039   3.733
  501    H    ASP  80           H        ASP  80   9.522  -1.425   6.092
  502    HA   ASP  80           HA       ASP  80  12.412  -1.251   5.551
  503   1HB   ASP  80          1HB       ASP  80  10.783  -3.014   7.252
  504   2HB   ASP  80          2HB       ASP  80  11.981  -3.858   6.275
  505    H    ARG  81           H        ARG  81  12.651  -1.327   3.396
  506    HA   ARG  81           HA       ARG  81  10.923  -2.726   1.637
  507   1HB   ARG  81          1HB       ARG  81  13.742  -1.872   1.001
  508   2HB   ARG  81          2HB       ARG  81  12.388  -2.048  -0.107
  509   1HG   ARG  81          1HG       ARG  81  11.354  -0.193   1.499
  510   2HG   ARG  81          2HG       ARG  81  13.065   0.169   1.726
  511   1HD   ARG  81          1HD       ARG  81  11.344   0.767  -0.503
  512   2HD   ARG  81          2HD       ARG  81  12.971   1.348  -0.157
  513    HE   ARG  81           HE       ARG  81  12.250  -0.939  -1.821
  514   1HH1  ARG  81          1HH1      ARG  81  14.730   1.036  -0.375
  515   2HH1  ARG  81          2HH1      ARG  81  15.976   0.479  -1.441
  516   1HH2  ARG  81          1HH2      ARG  81  13.883  -1.678  -3.229
  517   2HH2  ARG  81          2HH2      ARG  81  15.494  -1.063  -3.064
  518    H    SER  82           H        SER  82  13.199  -3.896   3.739
  519    HA   SER  82           HA       SER  82  14.228  -6.022   2.078
  520   1HB   SER  82          1HB       SER  82  14.856  -6.758   4.631
  521   2HB   SER  82          2HB       SER  82  15.842  -5.687   3.635
  522    HG   SER  82           HG       SER  82  13.857  -4.902   5.508
  523    H    THR  83           H        THR  83  11.283  -5.494   3.269
  524    HA   THR  83           HA       THR  83  10.792  -8.348   3.823
  525    HB   THR  83           HB       THR  83   9.324  -7.881   5.510
  526    HG1  THR  83           HG1      THR  83   7.789  -6.618   4.667
  527   1HG2  THR  83          1HG2      THR  83  11.397  -5.745   5.430
  528   2HG2  THR  83          2HG2      THR  83  10.131  -5.636   6.652
  529   3HG2  THR  83          3HG2      THR  83  11.173  -7.056   6.587
  530    H    LYS  84           H        LYS  84  10.638  -6.541   1.329
  531    HA   LYS  84           HA       LYS  84   8.011  -6.164   0.516
  532   1HB   LYS  84          1HB       LYS  84  10.627  -6.446  -0.802
  533   2HB   LYS  84          2HB       LYS  84   9.253  -6.866  -1.816
  534   1HG   LYS  84          1HG       LYS  84   8.613  -4.738  -2.033
  535   2HG   LYS  84          2HG       LYS  84   8.898  -4.377  -0.330
  536   1HD   LYS  84          1HD       LYS  84  10.429  -3.035  -1.510
  537   2HD   LYS  84          2HD       LYS  84  11.379  -4.394  -0.907
  538   1HE   LYS  84          1HE       LYS  84  12.077  -4.687  -3.003
  539   2HE   LYS  84          2HE       LYS  84  10.451  -5.262  -3.367
  540   1HZ   LYS  84          1HZ       LYS  84  11.368  -2.446  -3.592
  541   2HZ   LYS  84          2HZ       LYS  84  11.150  -3.514  -4.887
  542   3HZ   LYS  84          3HZ       LYS  84   9.821  -3.015  -3.968
  543    HA   PRO  85           HA       PRO  85   5.965 -10.001  -0.222
  544   1HB   PRO  85          1HB       PRO  85   5.869  -9.268  -3.117
  545   2HB   PRO  85          2HB       PRO  85   4.570  -9.820  -2.054
  546   1HG   PRO  85          1HG       PRO  85   4.776  -7.252  -2.711
  547   2HG   PRO  85          2HG       PRO  85   4.307  -7.735  -1.072
  548   1HD   PRO  85          1HD       PRO  85   6.895  -6.652  -2.061
  549   2HD   PRO  85          2HD       PRO  85   6.111  -6.441  -0.485
  550    H    ALA  86           H        ALA  86   7.544 -11.521   0.114
  551    HA   ALA  86           HA       ALA  86   8.867 -12.540  -2.305
  552   1HB   ALA  86          3HB       ALA  86  10.126 -11.885   0.331
  553   2HB   ALA  86          1HB       ALA  86  10.806 -13.145  -0.700
  554   3HB   ALA  86          2HB       ALA  86  10.675 -11.490  -1.299

  No H/Q in entry =         554
  Start of MODEL   14
    1    H1   GLY  16           H1       GLY  16 -12.454  -8.534   9.756
    2    H2   GLY  16           H2       GLY  16 -13.157  -7.513   8.605
    3    H3   GLY  16           H3       GLY  16 -14.127  -8.560   9.513
    4   1HA   GLY  16          1HA       GLY  16 -13.749  -9.336   7.212
    5   2HA   GLY  16          2HA       GLY  16 -13.240 -10.472   8.449
    6    H    ARG  17           H        ARG  17 -12.392  -9.475   5.559
    7    HA   ARG  17           HA       ARG  17  -9.524  -9.763   6.128
    8   1HB   ARG  17          1HB       ARG  17 -11.275 -10.682   3.907
    9   2HB   ARG  17          2HB       ARG  17  -9.612 -10.265   3.513
   10   1HG   ARG  17          1HG       ARG  17  -8.934 -12.233   4.250
   11   2HG   ARG  17          2HG       ARG  17  -9.581 -11.860   5.852
   12   1HD   ARG  17          1HD       ARG  17 -11.847 -12.499   4.495
   13   2HD   ARG  17          2HD       ARG  17 -10.672 -13.554   3.711
   14    HE   ARG  17           HE       ARG  17 -10.129 -14.139   6.195
   15   1HH1  ARG  17          1HH1      ARG  17 -13.267 -13.549   4.795
   16   2HH1  ARG  17          2HH1      ARG  17 -14.100 -14.581   5.909
   17   1HH2  ARG  17          1HH2      ARG  17 -11.218 -15.499   7.665
   18   2HH2  ARG  17          2HH2      ARG  17 -12.936 -15.689   7.541
   19    H    VAL  18           H        VAL  18  -8.920  -7.687   6.439
   20    HA   VAL  18           HA       VAL  18  -9.731  -5.486   4.866
   21    HB   VAL  18           HB       VAL  18  -7.565  -4.439   5.815
   22   1HG1  VAL  18          1HG1      VAL  18  -9.898  -4.134   6.668
   23   2HG1  VAL  18          2HG1      VAL  18  -9.593  -5.457   7.795
   24   3HG1  VAL  18          3HG1      VAL  18  -8.640  -3.977   7.894
   25   1HG2  VAL  18          1HG2      VAL  18  -7.011  -7.073   6.433
   26   2HG2  VAL  18          2HG2      VAL  18  -6.189  -5.655   7.085
   27   3HG2  VAL  18          3HG2      VAL  18  -7.527  -6.384   7.973
   28    H    ARG  19           H        ARG  19  -9.185  -4.951   2.863
   29    HA   ARG  19           HA       ARG  19  -6.527  -5.637   1.855
   30   1HB   ARG  19          1HB       ARG  19  -7.787  -6.215  -0.372
   31   2HB   ARG  19          2HB       ARG  19  -7.597  -7.433   0.881
   32   1HG   ARG  19          1HG       ARG  19  -9.903  -6.631   1.703
   33   2HG   ARG  19          2HG       ARG  19 -10.042  -5.894   0.107
   34   1HD   ARG  19          1HD       ARG  19  -9.882  -7.985  -0.980
   35   2HD   ARG  19          2HD       ARG  19  -9.332  -8.790   0.489
   36    HE   ARG  19           HE       ARG  19 -11.908  -7.681   0.873
   37   1HH1  ARG  19          1HH1      ARG  19 -10.274 -10.320  -0.715
   38   2HH1  ARG  19          2HH1      ARG  19 -11.645 -11.375  -0.653
   39   1HH2  ARG  19          1HH2      ARG  19 -13.717  -9.069   0.959
   40   2HH2  ARG  19          2HH2      ARG  19 -13.599 -10.665   0.297
   41    H    TRP  20           H        TRP  20  -7.064  -3.156   2.641
   42    HA   TRP  20           HA       TRP  20  -7.207  -1.676   0.127
   43   1HB   TRP  20          1HB       TRP  20  -8.853  -1.062   2.589
   44   2HB   TRP  20          2HB       TRP  20  -8.646   0.055   1.241
   45    HD1  TRP  20           HD1      TRP  20 -10.287  -3.281   2.131
   46    HE1  TRP  20           HE1      TRP  20 -12.044  -3.834   0.318
   47    HE3  TRP  20           HE3      TRP  20  -9.300   0.516  -1.142
   48    HZ2  TRP  20           HZ2      TRP  20 -12.880  -2.784  -2.175
   49    HZ3  TRP  20           HZ3      TRP  20 -10.622   0.677  -3.211
   50    HH2  TRP  20           HH2      TRP  20 -12.379  -0.941  -3.713
   51    H    ALA  21           H        ALA  21  -6.230   0.462   0.262
   52    HA   ALA  21           HA       ALA  21  -4.488   0.811   2.588
   53   1HB   ALA  21          2HB       ALA  21  -2.604   0.706   1.386
   54   2HB   ALA  21          3HB       ALA  21  -3.290   1.651   0.065
   55   3HB   ALA  21          1HB       ALA  21  -3.586  -0.086   0.154
   56    H    ARG  22           H        ARG  22  -5.359   2.603   3.468
   57    HA   ARG  22           HA       ARG  22  -5.891   4.867   1.673
   58   1HB   ARG  22          1HB       ARG  22  -7.892   4.381   2.833
   59   2HB   ARG  22          2HB       ARG  22  -7.050   4.138   4.359
   60   1HG   ARG  22          1HG       ARG  22  -6.642   6.485   4.578
   61   2HG   ARG  22          2HG       ARG  22  -7.244   6.790   2.947
   62   1HD   ARG  22          1HD       ARG  22  -9.241   5.378   4.407
   63   2HD   ARG  22          2HD       ARG  22  -8.693   6.740   5.383
   64    HE   ARG  22           HE       ARG  22 -10.235   6.851   2.971
   65   1HH1  ARG  22          1HH1      ARG  22  -7.955   8.580   4.959
   66   2HH1  ARG  22          2HH1      ARG  22  -8.446  10.140   4.389
   67   1HH2  ARG  22          1HH2      ARG  22 -10.888   8.898   2.215
   68   2HH2  ARG  22          2HH2      ARG  22 -10.116  10.322   2.830
   69    H    ALA  23           H        ALA  23  -4.218   6.113   1.561
   70    HA   ALA  23           HA       ALA  23  -2.235   6.266   3.613
   71   1HB   ALA  23          1HB       ALA  23  -0.924   7.268   2.065
   72   2HB   ALA  23          2HB       ALA  23  -2.237   8.260   1.430
   73   3HB   ALA  23          3HB       ALA  23  -2.113   6.562   0.970
   74    H    LEU  24           H        LEU  24  -2.004   7.658   5.203
   75    HA   LEU  24           HA       LEU  24  -3.887   9.900   5.421
   76   1HB   LEU  24          1HB       LEU  24  -1.994   9.198   7.615
   77   2HB   LEU  24          2HB       LEU  24  -3.641   9.789   7.711
   78    HG   LEU  24           HG       LEU  24  -2.925   6.980   6.878
   79   1HD1  LEU  24          1HD1      LEU  24  -2.602   8.040   9.401
   80   2HD1  LEU  24          2HD1      LEU  24  -4.203   7.303   9.466
   81   3HD1  LEU  24          3HD1      LEU  24  -2.804   6.333   9.006
   82   1HD2  LEU  24          1HD2      LEU  24  -5.102   7.824   6.095
   83   2HD2  LEU  24          2HD2      LEU  24  -5.270   6.519   7.269
   84   3HD2  LEU  24          3HD2      LEU  24  -5.542   8.190   7.763
   85    H    TYR  25           H        TYR  25  -0.732   9.048   4.689
   86    HA   TYR  25           HA       TYR  25   0.109  11.842   4.515
   87   1HB   TYR  25          1HB       TYR  25   2.304  10.015   5.187
   88   2HB   TYR  25          2HB       TYR  25   1.953  11.622   5.810
   89    HD1  TYR  25           HD1      TYR  25   0.620  11.913   7.820
   90    HD2  TYR  25           HD2      TYR  25   1.453   8.029   6.295
   91    HE1  TYR  25           HE1      TYR  25  -0.095  10.928   9.956
   92    HE2  TYR  25           HE2      TYR  25   0.740   7.032   8.426
   93    HH   TYR  25           HH       TYR  25  -0.995   7.981  10.415
   94    H    ASP  26           H        ASP  26   2.378  11.749   3.243
   95    HA   ASP  26           HA       ASP  26   1.846  11.027   0.646
   96   1HB   ASP  26          1HB       ASP  26   3.978  12.199   2.011
   97   2HB   ASP  26          2HB       ASP  26   4.685  10.808   1.193
   98    H    PHE  27           H        PHE  27   3.653   9.530  -0.545
   99    HA   PHE  27           HA       PHE  27   3.087   6.837   0.463
  100   1HB   PHE  27          1HB       PHE  27   3.395   6.077  -1.790
  101   2HB   PHE  27          2HB       PHE  27   2.368   7.506  -1.839
  102    HD1  PHE  27           HD1      PHE  27   3.231   9.629  -2.689
  103    HD2  PHE  27           HD2      PHE  27   5.582   6.083  -2.734
  104    HE1  PHE  27           HE1      PHE  27   4.775  10.685  -4.287
  105    HE2  PHE  27           HE2      PHE  27   7.135   7.134  -4.335
  106    HZ   PHE  27           HZ       PHE  27   6.732   9.438  -5.111
  107    H    GLU  28           H        GLU  28   4.646   5.242   0.633
  108    HA   GLU  28           HA       GLU  28   7.390   6.217   0.969
  109   1HB   GLU  28          1HB       GLU  28   6.152   3.598   1.826
  110   2HB   GLU  28          2HB       GLU  28   7.762   4.169   2.245
  111   1HG   GLU  28          1HG       GLU  28   5.830   6.135   2.983
  112   2HG   GLU  28          2HG       GLU  28   5.360   4.569   3.632
  113    H    ALA  29           H        ALA  29   5.817   5.165  -1.564
  114    HA   ALA  29           HA       ALA  29   7.265   2.867  -2.397
  115   1HB   ALA  29          1HB       ALA  29   6.153   3.057  -4.446
  116   2HB   ALA  29          2HB       ALA  29   5.955   4.801  -4.280
  117   3HB   ALA  29          3HB       ALA  29   5.015   3.707  -3.265
  118    H    LEU  30           H        LEU  30   9.425   2.964  -2.534
  119    HA   LEU  30           HA       LEU  30  10.617   5.217  -4.010
  120   1HB   LEU  30          1HB       LEU  30  12.408   3.470  -2.459
  121   2HB   LEU  30          2HB       LEU  30  12.405   5.215  -2.625
  122    HG   LEU  30           HG       LEU  30  10.354   3.817  -0.933
  123   1HD1  LEU  30          1HD1      LEU  30  13.106   3.700  -0.468
  124   2HD1  LEU  30          2HD1      LEU  30  12.498   4.965   0.601
  125   3HD1  LEU  30          3HD1      LEU  30  11.809   3.343   0.673
  126   1HD2  LEU  30          1HD2      LEU  30  10.738   6.460  -1.716
  127   2HD2  LEU  30          2HD2      LEU  30   9.685   5.876  -0.427
  128   3HD2  LEU  30          3HD2      LEU  30  11.331   6.387  -0.057
  129    H    GLU  31           H        GLU  31   9.789   2.003  -4.262
  130    HA   GLU  31           HA       GLU  31  12.013   1.368  -6.072
  131   1HB   GLU  31          1HB       GLU  31  10.548  -0.170  -4.205
  132   2HB   GLU  31          2HB       GLU  31  10.166  -0.803  -5.799
  133   1HG   GLU  31          1HG       GLU  31  12.974  -0.348  -5.636
  134   2HG   GLU  31          2HG       GLU  31  12.456  -1.276  -4.229
  135    H    GLU  32           H        GLU  32  11.472   0.176  -8.079
  136    HA   GLU  32           HA       GLU  32   9.570   1.669  -9.594
  137   1HB   GLU  32          1HB       GLU  32  10.844   1.040 -11.320
  138   2HB   GLU  32          2HB       GLU  32  11.921   0.340 -10.131
  139   1HG   GLU  32          1HG       GLU  32  11.102  -1.811 -10.472
  140   2HG   GLU  32          2HG       GLU  32   9.655  -1.231 -11.296
  141    H    ASP  33           H        ASP  33   9.677  -1.562  -8.214
  142    HA   ASP  33           HA       ASP  33   7.291  -2.402  -9.623
  143   1HB   ASP  33          1HB       ASP  33   9.410  -3.699  -8.201
  144   2HB   ASP  33          2HB       ASP  33   7.871  -4.181  -7.490
  145    H    GLU  34           H        GLU  34   7.440  -0.157  -7.500
  146    HA   GLU  34           HA       GLU  34   5.272  -1.177  -5.787
  147   1HB   GLU  34          1HB       GLU  34   7.213   1.081  -5.272
  148   2HB   GLU  34          2HB       GLU  34   5.898   0.615  -4.201
  149   1HG   GLU  34          1HG       GLU  34   6.911  -1.493  -3.752
  150   2HG   GLU  34          2HG       GLU  34   8.127  -1.236  -5.002
  151    H    LEU  35           H        LEU  35   4.011   0.885  -4.888
  152    HA   LEU  35           HA       LEU  35   3.313   2.628  -7.145
  153   1HB   LEU  35          1HB       LEU  35   1.574   1.093  -7.279
  154   2HB   LEU  35          2HB       LEU  35   1.537   0.829  -5.547
  155    HG   LEU  35           HG       LEU  35   0.806   3.500  -5.834
  156   1HD1  LEU  35          1HD1      LEU  35   0.521   2.557  -8.330
  157   2HD1  LEU  35          2HD1      LEU  35  -1.043   2.102  -7.656
  158   3HD1  LEU  35          3HD1      LEU  35  -0.528   3.788  -7.630
  159   1HD2  LEU  35          1HD2      LEU  35  -0.630   0.936  -5.285
  160   2HD2  LEU  35          2HD2      LEU  35  -0.254   2.268  -4.193
  161   3HD2  LEU  35          3HD2      LEU  35  -1.531   2.448  -5.395
  162    H    GLY  36           H        GLY  36   2.842   4.719  -6.596
  163   1HA   GLY  36          1HA       GLY  36   3.643   6.401  -5.028
  164   2HA   GLY  36          2HA       GLY  36   3.082   5.361  -3.731
  165    H    PHE  37           H        PHE  37   1.489   6.337  -2.723
  166    HA   PHE  37           HA       PHE  37  -0.683   7.522  -4.318
  167   1HB   PHE  37          1HB       PHE  37  -1.812   7.205  -1.892
  168   2HB   PHE  37          2HB       PHE  37  -1.885   5.983  -3.155
  169    HD1  PHE  37           HD1      PHE  37  -1.528   3.847  -2.424
  170    HD2  PHE  37           HD2      PHE  37   0.539   7.039  -0.514
  171    HE1  PHE  37           HE1      PHE  37  -0.462   2.239  -0.899
  172    HE2  PHE  37           HE2      PHE  37   1.611   5.437   1.013
  173    HZ   PHE  37           HZ       PHE  37   1.110   3.032   0.825
  174    H    ARG  38           H        ARG  38  -2.003   8.995  -2.515
  175    HA   ARG  38           HA       ARG  38  -0.011  10.835  -1.365
  176   1HB   ARG  38          1HB       ARG  38  -2.517  11.766  -2.758
  177   2HB   ARG  38          2HB       ARG  38  -1.169  12.745  -2.193
  178   1HG   ARG  38          1HG       ARG  38   0.175  11.210  -3.877
  179   2HG   ARG  38          2HG       ARG  38  -1.415  11.081  -4.631
  180   1HD   ARG  38          1HD       ARG  38  -0.759  13.809  -3.881
  181   2HD   ARG  38          2HD       ARG  38   0.419  13.117  -4.997
  182    HE   ARG  38           HE       ARG  38  -1.683  12.512  -6.345
  183   1HH1  ARG  38          1HH1      ARG  38  -1.309  15.380  -4.399
  184   2HH1  ARG  38          2HH1      ARG  38  -2.418  16.318  -5.341
  185   1HH2  ARG  38          1HH2      ARG  38  -3.144  13.735  -7.585
  186   2HH2  ARG  38          2HH2      ARG  38  -3.462  15.382  -7.154
  187    H    SER  39           H        SER  39  -1.118  12.474   0.129
  188    HA   SER  39           HA       SER  39  -2.275  11.160   2.275
  189   1HB   SER  39          1HB       SER  39  -3.119  13.639   2.788
  190   2HB   SER  39          2HB       SER  39  -1.418  13.192   2.921
  191    HG   SER  39           HG       SER  39  -2.211  15.137   1.562
  192    H    GLY  40           H        GLY  40  -4.325  10.797   2.983
  193   1HA   GLY  40          1HA       GLY  40  -6.680  11.961   2.072
  194   2HA   GLY  40          2HA       GLY  40  -6.574  10.383   2.832
  195    H    GLU  41           H        GLU  41  -5.431   8.742   1.144
  196    HA   GLU  41           HA       GLU  41  -7.182   8.836  -1.206
  197   1HB   GLU  41          1HB       GLU  41  -4.212   8.328  -1.207
  198   2HB   GLU  41          2HB       GLU  41  -5.256   7.825  -2.529
  199   1HG   GLU  41          1HG       GLU  41  -5.200  10.668  -1.594
  200   2HG   GLU  41          2HG       GLU  41  -4.008  10.049  -2.731
  201    H    VAL  42           H        VAL  42  -8.193   6.979  -1.639
  202    HA   VAL  42           HA       VAL  42  -7.569   4.665   0.040
  203    HB   VAL  42           HB       VAL  42  -9.947   4.963  -1.789
  204   1HG1  VAL  42          1HG1      VAL  42  -9.115   2.743  -0.628
  205   2HG1  VAL  42          2HG1      VAL  42  -9.956   3.432   0.760
  206   3HG1  VAL  42          3HG1      VAL  42 -10.831   3.134  -0.742
  207   1HG2  VAL  42          1HG2      VAL  42  -9.369   6.307   0.742
  208   2HG2  VAL  42          2HG2      VAL  42 -10.580   6.672  -0.488
  209   3HG2  VAL  42          3HG2      VAL  42 -10.902   5.436   0.728
  210    H    VAL  43           H        VAL  43  -6.871   2.754  -0.740
  211    HA   VAL  43           HA       VAL  43  -6.665   2.440  -3.661
  212    HB   VAL  43           HB       VAL  43  -4.528   1.881  -1.602
  213   1HG1  VAL  43          1HG1      VAL  43  -5.053   0.515  -4.089
  214   2HG1  VAL  43          2HG1      VAL  43  -3.488   1.325  -4.126
  215   3HG1  VAL  43          3HG1      VAL  43  -3.850   0.166  -2.848
  216   1HG2  VAL  43          1HG2      VAL  43  -4.988   3.935  -3.640
  217   2HG2  VAL  43          2HG2      VAL  43  -3.990   3.979  -2.186
  218   3HG2  VAL  43          3HG2      VAL  43  -3.369   3.234  -3.659
  219    H    GLU  44           H        GLU  44  -6.991   0.377  -4.457
  220    HA   GLU  44           HA       GLU  44  -8.224  -1.490  -2.586
  221   1HB   GLU  44          1HB       GLU  44  -9.326  -0.894  -4.751
  222   2HB   GLU  44          2HB       GLU  44  -8.005  -1.688  -5.593
  223   1HG   GLU  44          1HG       GLU  44  -8.606  -3.775  -4.312
  224   2HG   GLU  44          2HG       GLU  44 -10.068  -2.931  -3.807
  225    H    VAL  45           H        VAL  45  -6.886  -2.837  -1.574
  226    HA   VAL  45           HA       VAL  45  -4.353  -3.593  -2.713
  227    HB   VAL  45           HB       VAL  45  -5.681  -4.560  -0.179
  228   1HG1  VAL  45          1HG1      VAL  45  -3.025  -5.076  -1.417
  229   2HG1  VAL  45          2HG1      VAL  45  -3.129  -4.945   0.338
  230   3HG1  VAL  45          3HG1      VAL  45  -4.081  -6.162  -0.513
  231   1HG2  VAL  45          1HG2      VAL  45  -5.268  -2.133  -0.220
  232   2HG2  VAL  45          2HG2      VAL  45  -4.267  -2.965   0.970
  233   3HG2  VAL  45          3HG2      VAL  45  -3.566  -2.446  -0.562
  234    H    LEU  46           H        LEU  46  -3.769  -5.495  -3.591
  235    HA   LEU  46           HA       LEU  46  -5.895  -7.496  -3.965
  236   1HB   LEU  46          1HB       LEU  46  -4.067  -6.186  -5.816
  237   2HB   LEU  46          2HB       LEU  46  -4.022  -7.935  -5.955
  238    HG   LEU  46           HG       LEU  46  -6.590  -6.363  -6.059
  239   1HD1  LEU  46          1HD1      LEU  46  -4.768  -7.185  -8.312
  240   2HD1  LEU  46          2HD1      LEU  46  -6.446  -6.689  -8.526
  241   3HD1  LEU  46          3HD1      LEU  46  -5.267  -5.552  -7.875
  242   1HD2  LEU  46          1HD2      LEU  46  -6.019  -9.100  -5.862
  243   2HD2  LEU  46          2HD2      LEU  46  -7.576  -8.346  -6.207
  244   3HD2  LEU  46          3HD2      LEU  46  -6.514  -8.825  -7.532
  245    H    ASP  47           H        ASP  47  -3.219  -7.001  -2.214
  246    HA   ASP  47           HA       ASP  47  -2.783  -9.816  -1.806
  247   1HB   ASP  47          1HB       ASP  47  -1.077  -8.411  -3.600
  248   2HB   ASP  47          2HB       ASP  47  -0.151  -8.768  -2.145
  249    H    SER  48           H        SER  48  -3.788  -8.594   0.140
  250    HA   SER  48           HA       SER  48  -2.028  -7.033   1.786
  251   1HB   SER  48          1HB       SER  48  -4.364  -8.512   2.929
  252   2HB   SER  48          2HB       SER  48  -3.785  -6.885   3.285
  253    HG   SER  48           HG       SER  48  -4.968  -6.120   1.714
  254    H    SER  49           H        SER  49  -2.084 -10.307   1.053
  255    HA   SER  49           HA       SER  49  -1.335 -11.256   3.647
  256   1HB   SER  49          1HB       SER  49  -2.128 -12.965   2.235
  257   2HB   SER  49          2HB       SER  49  -1.180 -12.395   0.862
  258    HG   SER  49           HG       SER  49  -0.437 -14.346   2.092
  259    H    ASN  50           H        ASN  50   0.398 -10.590   4.587
  260    HA   ASN  50           HA       ASN  50   3.008 -11.009   3.979
  261   1HB   ASN  50          1HB       ASN  50   1.920  -8.707   2.527
  262   2HB   ASN  50          2HB       ASN  50   3.371  -8.330   3.448
  263   1HD2  ASN  50          1HD2      ASN  50   2.507  -8.853   0.509
  264   2HD2  ASN  50          2HD2      ASN  50   3.806  -9.806  -0.102
  265    HA   PRO  51           HA       PRO  51   3.088  -9.033   7.937
  266   1HB   PRO  51          1HB       PRO  51   5.693  -8.951   8.483
  267   2HB   PRO  51          2HB       PRO  51   4.867 -10.491   8.220
  268   1HG   PRO  51          1HG       PRO  51   6.686  -8.983   6.410
  269   2HG   PRO  51          2HG       PRO  51   6.472 -10.732   6.588
  270   1HD   PRO  51          1HD       PRO  51   5.315  -9.070   4.609
  271   2HD   PRO  51          2HD       PRO  51   4.925 -10.772   4.933
  272    H    SER  52           H        SER  52   4.132  -7.185   5.295
  273    HA   SER  52           HA       SER  52   3.791  -4.760   6.747
  274   1HB   SER  52          1HB       SER  52   6.497  -5.823   6.501
  275   2HB   SER  52          2HB       SER  52   6.342  -4.188   5.857
  276    HG   SER  52           HG       SER  52   5.189  -4.778   8.340
  277    H    TRP  53           H        TRP  53   5.068  -6.271   3.808
  278    HA   TRP  53           HA       TRP  53   4.248  -3.879   2.298
  279   1HB   TRP  53          1HB       TRP  53   6.313  -5.986   1.895
  280   2HB   TRP  53          2HB       TRP  53   5.576  -5.284   0.460
  281    HD1  TRP  53           HD1      TRP  53   8.103  -4.568   3.162
  282    HE1  TRP  53           HE1      TRP  53   9.215  -2.293   2.705
  283    HE3  TRP  53           HE3      TRP  53   5.024  -2.896  -0.554
  284    HZ2  TRP  53           HZ2      TRP  53   8.834  -0.081   0.992
  285    HZ3  TRP  53           HZ3      TRP  53   5.465  -0.691  -1.550
  286    HH2  TRP  53           HH2      TRP  53   7.332   0.686  -0.791
  287    H    TRP  54           H        TRP  54   2.247  -4.037   1.445
  288    HA   TRP  54           HA       TRP  54   1.392  -6.676   0.446
  289   1HB   TRP  54          1HB       TRP  54  -0.438  -4.364   1.119
  290   2HB   TRP  54          2HB       TRP  54  -0.890  -6.020   0.723
  291    HD1  TRP  54           HD1      TRP  54   1.525  -7.081   2.853
  292    HE1  TRP  54           HE1      TRP  54   0.790  -7.237   5.306
  293    HE3  TRP  54           HE3      TRP  54  -2.513  -3.967   2.683
  294    HZ2  TRP  54           HZ2      TRP  54  -1.217  -6.155   6.970
  295    HZ3  TRP  54           HZ3      TRP  54  -3.788  -3.572   4.750
  296    HH2  TRP  54           HH2      TRP  54  -3.151  -4.645   6.850
  297    H    THR  55           H        THR  55   0.707  -6.890  -1.638
  298    HA   THR  55           HA       THR  55   1.379  -4.713  -3.439
  299    HB   THR  55           HB       THR  55   0.295  -7.412  -4.234
  300    HG1  THR  55           HG1      THR  55   2.208  -7.537  -2.837
  301   1HG2  THR  55          1HG2      THR  55   2.052  -5.396  -5.640
  302   2HG2  THR  55          2HG2      THR  55   1.611  -6.980  -6.280
  303   3HG2  THR  55          3HG2      THR  55   0.367  -5.759  -6.012
  304    H    GLY  56           H        GLY  56  -0.081  -3.238  -3.980
  305   1HA   GLY  56          1HA       GLY  56  -2.559  -2.727  -3.435
  306   2HA   GLY  56          2HA       GLY  56  -2.848  -4.101  -4.496
  307    H    ARG  57           H        ARG  57  -4.050  -1.886  -5.334
  308    HA   ARG  57           HA       ARG  57  -2.225  -0.524  -7.168
  309   1HB   ARG  57          1HB       ARG  57  -3.986  -0.864  -9.008
  310   2HB   ARG  57          2HB       ARG  57  -2.916  -2.207  -8.616
  311   1HG   ARG  57          1HG       ARG  57  -4.606  -3.397  -7.540
  312   2HG   ARG  57          2HG       ARG  57  -5.619  -1.963  -7.348
  313   1HD   ARG  57          1HD       ARG  57  -6.031  -1.895  -9.732
  314   2HD   ARG  57          2HD       ARG  57  -4.933  -3.251  -9.987
  315    HE   ARG  57           HE       ARG  57  -6.895  -4.085  -8.196
  316   1HH1  ARG  57          1HH1      ARG  57  -6.650  -3.049 -11.512
  317   2HH1  ARG  57          2HH1      ARG  57  -7.997  -3.999 -12.045
  318   1HH2  ARG  57          1HH2      ARG  57  -8.672  -5.341  -8.888
  319   2HH2  ARG  57          2HH2      ARG  57  -9.146  -5.301 -10.554
  320    H    LEU  58           H        LEU  58  -2.647   1.546  -7.499
  321    HA   LEU  58           HA       LEU  58  -5.041   2.694  -6.250
  322   1HB   LEU  58          1HB       LEU  58  -2.942   3.610  -5.465
  323   2HB   LEU  58          2HB       LEU  58  -2.417   3.923  -7.109
  324    HG   LEU  58           HG       LEU  58  -4.923   5.265  -6.283
  325   1HD1  LEU  58          1HD1      LEU  58  -2.755   5.343  -4.529
  326   2HD1  LEU  58          2HD1      LEU  58  -2.689   6.854  -5.435
  327   3HD1  LEU  58          3HD1      LEU  58  -4.155   6.417  -4.557
  328   1HD2  LEU  58          1HD2      LEU  58  -2.505   5.870  -7.937
  329   2HD2  LEU  58          2HD2      LEU  58  -4.205   5.856  -8.407
  330   3HD2  LEU  58          3HD2      LEU  58  -3.576   7.168  -7.410
  331    H    HIS  59           H        HIS  59  -6.684   3.201  -7.539
  332    HA   HIS  59           HA       HIS  59  -7.906   3.883  -9.329
  333   1HB   HIS  59          1HB       HIS  59  -5.335   5.295  -9.698
  334   2HB   HIS  59          2HB       HIS  59  -6.329   5.145 -11.143
  335    HD1  HIS  59           HD1      HIS  59  -7.554   7.266 -11.445
  336    HD2  HIS  59           HD2      HIS  59  -7.370   6.152  -7.446
  337    HE1  HIS  59           HE1      HIS  59  -8.878   9.004 -10.202
  338    HE2  HIS  59           HE2      HIS  59  -8.811   8.272  -7.792
  339    H    ASN  60           H        ASN  60  -4.954   3.531 -11.235
  340    HA   ASN  60           HA       ASN  60  -5.905   0.961 -12.263
  341   1HB   ASN  60          1HB       ASN  60  -6.583   3.116 -13.668
  342   2HB   ASN  60          2HB       ASN  60  -4.939   2.944 -14.274
  343   1HD2  ASN  60          1HD2      ASN  60  -7.596   2.576 -15.548
  344   2HD2  ASN  60          2HD2      ASN  60  -7.548   0.992 -16.233
  345    H    LYS  61           H        LYS  61  -3.541   2.381 -10.767
  346    HA   LYS  61           HA       LYS  61  -1.374   1.199 -12.363
  347   1HB   LYS  61          1HB       LYS  61  -1.307   3.283 -10.173
  348   2HB   LYS  61          2HB       LYS  61   0.129   2.581 -10.909
  349   1HG   LYS  61          1HG       LYS  61  -0.440   3.509 -13.046
  350   2HG   LYS  61          2HG       LYS  61  -1.990   4.083 -12.428
  351   1HD   LYS  61          1HD       LYS  61  -0.684   5.996 -12.359
  352   2HD   LYS  61          2HD       LYS  61  -0.540   5.378 -10.711
  353   1HE   LYS  61          1HE       LYS  61   1.443   4.557 -12.790
  354   2HE   LYS  61          2HE       LYS  61   1.588   6.135 -12.018
  355   1HZ   LYS  61          1HZ       LYS  61   1.342   4.727  -9.860
  356   2HZ   LYS  61          2HZ       LYS  61   1.878   3.460 -10.844
  357   3HZ   LYS  61          3HZ       LYS  61   2.842   4.835 -10.635
  358    H    LEU  62           H        LEU  62  -0.286  -0.529 -11.596
  359    HA   LEU  62           HA       LEU  62  -1.099  -1.544  -8.965
  360   1HB   LEU  62          1HB       LEU  62   0.435  -3.149 -10.972
  361   2HB   LEU  62          2HB       LEU  62  -0.662  -3.701  -9.720
  362    HG   LEU  62           HG       LEU  62  -2.175  -2.103 -11.507
  363   1HD1  LEU  62          1HD1      LEU  62  -0.196  -2.642 -13.035
  364   2HD1  LEU  62          2HD1      LEU  62  -0.791  -4.301 -13.002
  365   3HD1  LEU  62          3HD1      LEU  62  -1.816  -3.010 -13.627
  366   1HD2  LEU  62          1HD2      LEU  62  -2.933  -4.004 -10.105
  367   2HD2  LEU  62          2HD2      LEU  62  -3.448  -4.120 -11.787
  368   3HD2  LEU  62          3HD2      LEU  62  -2.102  -5.101 -11.208
  369    H    GLY  63           H        GLY  63   0.351  -2.062  -7.389
  370   1HA   GLY  63          1HA       GLY  63   2.810  -0.660  -7.369
  371   2HA   GLY  63          2HA       GLY  63   3.099  -2.373  -7.627
  372    H    LEU  64           H        LEU  64   4.249  -2.345  -5.605
  373    HA   LEU  64           HA       LEU  64   2.604  -3.148  -3.415
  374   1HB   LEU  64          1HB       LEU  64   5.442  -2.528  -2.892
  375   2HB   LEU  64          2HB       LEU  64   4.510  -3.952  -2.480
  376    HG   LEU  64           HG       LEU  64   5.378  -3.430  -5.307
  377   1HD1  LEU  64          1HD1      LEU  64   7.051  -4.074  -3.039
  378   2HD1  LEU  64          2HD1      LEU  64   7.089  -5.344  -4.262
  379   3HD1  LEU  64          3HD1      LEU  64   7.500  -3.685  -4.700
  380   1HD2  LEU  64          1HD2      LEU  64   3.770  -5.362  -4.081
  381   2HD2  LEU  64          2HD2      LEU  64   4.405  -5.381  -5.725
  382   3HD2  LEU  64          3HD2      LEU  64   5.303  -6.164  -4.425
  383    H    PHE  65           H        PHE  65   2.806  -2.230  -1.207
  384    HA   PHE  65           HA       PHE  65   3.515   0.585  -1.048
  385   1HB   PHE  65          1HB       PHE  65   1.408   1.442  -0.595
  386   2HB   PHE  65          2HB       PHE  65   1.032   0.243  -1.830
  387    HD1  PHE  65           HD1      PHE  65   0.894   1.023   1.746
  388    HD2  PHE  65           HD2      PHE  65  -0.281  -1.696  -1.304
  389    HE1  PHE  65           HE1      PHE  65  -0.653  -0.042   3.311
  390    HE2  PHE  65           HE2      PHE  65  -1.846  -2.775   0.252
  391    HZ   PHE  65           HZ       PHE  65  -2.036  -1.952   2.572
  392    HA   PRO  66           HA       PRO  66   4.393  -0.548   3.154
  393   1HB   PRO  66          1HB       PRO  66   4.254   1.775   4.446
  394   2HB   PRO  66          2HB       PRO  66   5.470   1.515   3.189
  395   1HG   PRO  66          1HG       PRO  66   2.845   2.937   3.013
  396   2HG   PRO  66          2HG       PRO  66   4.420   3.443   2.398
  397   1HD   PRO  66          1HD       PRO  66   2.520   2.271   0.833
  398   2HD   PRO  66          2HD       PRO  66   4.257   2.132   0.530
  399    H    ALA  67           H        ALA  67   2.911  -1.830   4.156
  400    HA   ALA  67           HA       ALA  67   0.211  -1.124   4.594
  401   1HB   ALA  67          1HB       ALA  67   1.086  -3.451   4.447
  402   2HB   ALA  67          2HB       ALA  67   1.775  -3.239   6.057
  403   3HB   ALA  67          3HB       ALA  67   0.027  -3.161   5.829
  404    H    ASN  68           H        ASN  68   3.082  -0.395   6.352
  405    HA   ASN  68           HA       ASN  68   1.697   0.080   8.845
  406   1HB   ASN  68          1HB       ASN  68   4.057   1.077   9.394
  407   2HB   ASN  68          2HB       ASN  68   3.836  -0.664   9.288
  408   1HD2  ASN  68          1HD2      ASN  68   4.835   2.175   7.456
  409   2HD2  ASN  68          2HD2      ASN  68   5.956   1.352   6.445
  410    H    TYR  69           H        TYR  69   2.794   1.920   6.081
  411    HA   TYR  69           HA       TYR  69   2.608   4.470   7.366
  412   1HB   TYR  69          1HB       TYR  69   3.757   3.622   5.049
  413   2HB   TYR  69          2HB       TYR  69   2.301   4.399   4.435
  414    HD1  TYR  69           HD1      TYR  69   4.964   5.085   6.972
  415    HD2  TYR  69           HD2      TYR  69   2.499   6.625   3.868
  416    HE1  TYR  69           HE1      TYR  69   6.052   7.277   7.206
  417    HE2  TYR  69           HE2      TYR  69   3.581   8.823   4.092
  418    HH   TYR  69           HH       TYR  69   4.940  10.084   5.384
  419    H    VAL  70           H        VAL  70   0.469   2.543   5.301
  420    HA   VAL  70           HA       VAL  70  -1.690   4.435   5.995
  421    HB   VAL  70           HB       VAL  70  -2.587   4.377   3.884
  422   1HG1  VAL  70          1HG1      VAL  70   0.363   3.934   3.459
  423   2HG1  VAL  70          2HG1      VAL  70  -0.742   4.532   2.222
  424   3HG1  VAL  70          3HG1      VAL  70  -0.465   5.474   3.687
  425   1HG2  VAL  70          1HG2      VAL  70  -2.797   1.924   3.777
  426   2HG2  VAL  70          2HG2      VAL  70  -2.277   2.622   2.244
  427   3HG2  VAL  70          3HG2      VAL  70  -1.105   1.818   3.288
  428    H    ALA  71           H        ALA  71  -3.755   3.588   6.400
  429    HA   ALA  71           HA       ALA  71  -3.754   0.733   7.129
  430   1HB   ALA  71          1HB       ALA  71  -4.954   3.151   8.357
  431   2HB   ALA  71          2HB       ALA  71  -4.211   1.742   9.116
  432   3HB   ALA  71          3HB       ALA  71  -5.855   1.640   8.487
  433    HA   PRO  72           HA       PRO  72  -6.740  -0.248   4.051
  434   1HB   PRO  72          1HB       PRO  72  -8.109  -1.892   6.102
  435   2HB   PRO  72          2HB       PRO  72  -7.486  -2.356   4.514
  436   1HG   PRO  72          1HG       PRO  72  -6.209  -3.071   6.716
  437   2HG   PRO  72          2HG       PRO  72  -5.305  -2.548   5.284
  438   1HD   PRO  72          1HD       PRO  72  -5.912  -1.024   7.796
  439   2HD   PRO  72          2HD       PRO  72  -4.409  -1.076   6.847
  440    H    MET  73           H        MET  73  -9.170  -0.632   3.826
  441    HA   MET  73           HA       MET  73 -10.786   1.138   5.482
  442   1HB   MET  73          1HB       MET  73  -9.667   2.258   3.354
  443   2HB   MET  73          2HB       MET  73 -10.991   1.458   2.523
  444   1HG   MET  73          1HG       MET  73 -12.442   2.596   4.382
  445   2HG   MET  73          2HG       MET  73 -11.060   3.683   4.498
  446   1HE   MET  73          1HE       MET  73 -13.568   1.976   2.487
  447   2HE   MET  73          2HE       MET  73 -14.379   3.322   1.686
  448   3HE   MET  73          3HE       MET  73 -13.132   2.409   0.834
  449    H    MET  74           H        MET  74 -12.304  -0.305   6.095
  450    HA   MET  74           HA       MET  74 -13.127  -2.485   4.468
  451   1HB   MET  74          1HB       MET  74 -13.185  -2.278   7.035
  452   2HB   MET  74          2HB       MET  74 -14.698  -1.413   6.798
  453   1HG   MET  74          1HG       MET  74 -15.776  -3.290   5.936
  454   2HG   MET  74          2HG       MET  74 -14.257  -4.125   5.611
  455   1HE   MET  74          1HE       MET  74 -12.572  -4.443   7.378
  456   2HE   MET  74          2HE       MET  74 -12.882  -4.804   9.076
  457   3HE   MET  74          3HE       MET  74 -13.235  -6.011   7.837
  458    H    ARG  75           H        ARG  75 -14.152  -2.104   2.612
  459    HA   ARG  75           HA       ARG  75 -15.811   0.105   2.081
  460   1HB   ARG  75          1HB       ARG  75 -15.079  -2.401   0.718
  461   2HB   ARG  75          2HB       ARG  75 -16.649  -1.750   0.267
  462   1HG   ARG  75          1HG       ARG  75 -15.318   0.483   0.002
  463   2HG   ARG  75          2HG       ARG  75 -13.932  -0.601  -0.137
  464   1HD   ARG  75          1HD       ARG  75 -14.482  -1.145  -2.222
  465   2HD   ARG  75          2HD       ARG  75 -16.131  -1.546  -1.739
  466    HE   ARG  75           HE       ARG  75 -15.193   1.100  -2.617
  467   1HH1  ARG  75          1HH1      ARG  75 -17.774  -1.140  -1.925
  468   2HH1  ARG  75          2HH1      ARG  75 -19.002  -0.141  -2.628
  469   1HH2  ARG  75          1HH2      ARG  75 -16.804   2.420  -3.541
  470   2HH2  ARG  75          2HH2      ARG  75 -18.450   1.883  -3.549
  471    H1   ALA  76           H1       ALA  76   7.244   8.236  12.371
  472    H2   ALA  76           H2       ALA  76   6.970   9.816  11.832
  473    H3   ALA  76           H3       ALA  76   5.688   8.897  12.441
  474    HA   ALA  76           HA       ALA  76   5.232   8.468  10.321
  475   1HB   ALA  76          2HB       ALA  76   8.116   9.047   9.667
  476   2HB   ALA  76          3HB       ALA  76   6.779  10.192   9.561
  477   3HB   ALA  76          1HB       ALA  76   6.822   8.785   8.498
  478    HA   PRO  77           HA       PRO  77   6.177   4.124  11.095
  479   1HB   PRO  77          1HB       PRO  77   4.508   3.323   8.996
  480   2HB   PRO  77          2HB       PRO  77   4.067   3.434  10.696
  481   1HG   PRO  77          1HG       PRO  77   3.557   5.334   8.477
  482   2HG   PRO  77          2HG       PRO  77   2.585   4.984   9.912
  483   1HD   PRO  77          1HD       PRO  77   4.029   7.242   9.686
  484   2HD   PRO  77          2HD       PRO  77   3.796   6.427  11.247
  485    H    SER  78           H        SER  78   8.340   4.211  10.329
  486    HA   SER  78           HA       SER  78   8.980   4.345   7.563
  487   1HB   SER  78          1HB       SER  78  10.439   4.528   9.872
  488   2HB   SER  78          2HB       SER  78  10.896   2.927   9.290
  489    HG   SER  78           HG       SER  78  11.305   4.020   7.223
  490    H    ILE  79           H        ILE  79   9.191   2.879   6.075
  491    HA   ILE  79           HA       ILE  79   8.244   0.208   6.737
  492    HB   ILE  79           HB       ILE  79   7.568   1.965   4.719
  493   1HG1  ILE  79          1HG1      ILE  79   6.193   0.207   5.695
  494   2HG1  ILE  79          2HG1      ILE  79   6.166   0.154   3.944
  495   1HG2  ILE  79          1HG2      ILE  79   9.715   1.278   3.581
  496   2HG2  ILE  79          2HG2      ILE  79   9.000  -0.324   3.395
  497   3HG2  ILE  79          3HG2      ILE  79   8.238   1.075   2.639
  498   1HD1  ILE  79          1HD1      ILE  79   8.168  -1.585   4.487
  499   2HD1  ILE  79          2HD1      ILE  79   7.112  -1.814   5.882
  500   3HD1  ILE  79          3HD1      ILE  79   6.480  -2.038   4.251
  501    H    ASP  80           H        ASP  80   9.307  -1.620   6.277
  502    HA   ASP  80           HA       ASP  80  12.166  -1.370   5.691
  503   1HB   ASP  80          1HB       ASP  80  10.490  -3.337   7.174
  504   2HB   ASP  80          2HB       ASP  80  11.942  -3.943   6.381
  505    H    ARG  81           H        ARG  81  12.551  -1.455   3.570
  506    HA   ARG  81           HA       ARG  81  10.929  -2.752   1.667
  507   1HB   ARG  81          1HB       ARG  81  13.839  -2.034   1.333
  508   2HB   ARG  81          2HB       ARG  81  12.626  -2.193   0.070
  509   1HG   ARG  81          1HG       ARG  81  11.616  -0.276   1.833
  510   2HG   ARG  81          2HG       ARG  81  13.332   0.099   1.650
  511   1HD   ARG  81          1HD       ARG  81  11.367  -0.301  -0.602
  512   2HD   ARG  81          2HD       ARG  81  11.959   1.255  -0.020
  513    HE   ARG  81           HE       ARG  81  13.296  -0.533  -1.790
  514   1HH1  ARG  81          1HH1      ARG  81  13.820   1.827   0.720
  515   2HH1  ARG  81          2HH1      ARG  81  15.408   2.246   0.173
  516   1HH2  ARG  81          1HH2      ARG  81  15.387   0.008  -2.515
  517   2HH2  ARG  81          2HH2      ARG  81  16.299   1.211  -1.668
  518    H    SER  82           H        SER  82  12.943  -4.109   3.928
  519    HA   SER  82           HA       SER  82  13.911  -6.295   2.287
  520   1HB   SER  82          1HB       SER  82  14.146  -6.716   5.150
  521   2HB   SER  82          2HB       SER  82  15.414  -6.583   3.931
  522    HG   SER  82           HG       SER  82  15.108  -4.269   4.083
  523    H    THR  83           H        THR  83  10.982  -5.559   3.437
  524    HA   THR  83           HA       THR  83  10.300  -8.370   4.006
  525    HB   THR  83           HB       THR  83   8.702  -7.751   5.567
  526    HG1  THR  83           HG1      THR  83   8.780  -5.004   5.001
  527   1HG2  THR  83          1HG2      THR  83  11.261  -6.687   5.864
  528   2HG2  THR  83          2HG2      THR  83  10.172  -5.388   6.354
  529   3HG2  THR  83          3HG2      THR  83  10.076  -6.963   7.140
  530    H    LYS  84           H        LYS  84  10.350  -6.690   1.453
  531    HA   LYS  84           HA       LYS  84   7.715  -6.221   0.599
  532   1HB   LYS  84          1HB       LYS  84  10.361  -6.503  -0.692
  533   2HB   LYS  84          2HB       LYS  84   8.972  -6.806  -1.726
  534   1HG   LYS  84          1HG       LYS  84   8.452  -4.644  -1.847
  535   2HG   LYS  84          2HG       LYS  84   8.676  -4.402  -0.114
  536   1HD   LYS  84          1HD       LYS  84  10.447  -3.169  -0.740
  537   2HD   LYS  84          2HD       LYS  84  11.245  -4.730  -0.945
  538   1HE   LYS  84          1HE       LYS  84   9.640  -3.770  -3.231
  539   2HE   LYS  84          2HE       LYS  84  11.108  -2.858  -2.874
  540   1HZ   LYS  84          1HZ       LYS  84  11.364  -5.756  -2.913
  541   2HZ   LYS  84          2HZ       LYS  84  11.078  -5.016  -4.407
  542   3HZ   LYS  84          3HZ       LYS  84  12.423  -4.567  -3.485
  543    HA   PRO  85           HA       PRO  85   5.676 -10.023  -0.296
  544   1HB   PRO  85          1HB       PRO  85   5.833  -9.266  -3.186
  545   2HB   PRO  85          2HB       PRO  85   4.449  -9.850  -2.253
  546   1HG   PRO  85          1HG       PRO  85   4.688  -7.266  -2.840
  547   2HG   PRO  85          2HG       PRO  85   4.076  -7.788  -1.260
  548   1HD   PRO  85          1HD       PRO  85   6.712  -6.627  -1.977
  549   2HD   PRO  85          2HD       PRO  85   5.805  -6.516  -0.459
  550    H    ALA  86           H        ALA  86   7.210 -11.563   0.160
  551    HA   ALA  86           HA       ALA  86   8.476 -12.804  -2.138
  552   1HB   ALA  86          1HB       ALA  86   9.992 -11.443   0.028
  553   2HB   ALA  86          2HB       ALA  86  10.636 -12.951  -0.625
  554   3HB   ALA  86          3HB       ALA  86  10.351 -11.577  -1.693

  No H/Q in entry =         554
  Start of MODEL   15
    1    H1   GLY  16           H1       GLY  16 -16.345  -8.764   5.672
    2    H2   GLY  16           H2       GLY  16 -16.582  -8.331   7.290
    3    H3   GLY  16           H3       GLY  16 -15.900  -7.224   6.209
    4   1HA   GLY  16          1HA       GLY  16 -14.674  -9.762   7.142
    5   2HA   GLY  16          2HA       GLY  16 -14.181  -8.141   7.609
    6    H    ARG  17           H        ARG  17 -12.367  -9.884   6.598
    7    HA   ARG  17           HA       ARG  17 -10.691 -10.037   5.089
    8   1HB   ARG  17          1HB       ARG  17 -13.101  -9.799   3.335
    9   2HB   ARG  17          2HB       ARG  17 -11.495  -9.806   2.613
   10   1HG   ARG  17          1HG       ARG  17 -11.421 -12.008   2.761
   11   2HG   ARG  17          2HG       ARG  17 -11.617 -11.898   4.514
   12   1HD   ARG  17          1HD       ARG  17 -14.150 -11.423   3.352
   13   2HD   ARG  17          2HD       ARG  17 -13.470 -12.838   2.552
   14    HE   ARG  17           HE       ARG  17 -14.147 -12.586   5.381
   15   1HH1  ARG  17          1HH1      ARG  17 -12.843 -14.505   2.779
   16   2HH1  ARG  17          2HH1      ARG  17 -12.977 -15.999   3.644
   17   1HH2  ARG  17          1HH2      ARG  17 -14.329 -14.549   6.523
   18   2HH2  ARG  17          2HH2      ARG  17 -13.823 -16.025   5.772
   19    H    VAL  18           H        VAL  18  -9.460  -8.342   5.629
   20    HA   VAL  18           HA       VAL  18 -10.012  -5.689   4.582
   21    HB   VAL  18           HB       VAL  18  -7.713  -5.212   5.693
   22   1HG1  VAL  18          1HG1      VAL  18 -10.380  -5.607   6.849
   23   2HG1  VAL  18          2HG1      VAL  18  -9.064  -5.558   8.022
   24   3HG1  VAL  18          3HG1      VAL  18  -9.306  -4.209   6.914
   25   1HG2  VAL  18          1HG2      VAL  18  -7.593  -7.907   5.925
   26   2HG2  VAL  18          2HG2      VAL  18  -6.713  -6.782   6.958
   27   3HG2  VAL  18          3HG2      VAL  18  -8.243  -7.466   7.504
   28    H    ARG  19           H        ARG  19  -9.309  -4.997   2.675
   29    HA   ARG  19           HA       ARG  19  -6.721  -5.823   1.661
   30   1HB   ARG  19          1HB       ARG  19  -7.767  -6.423  -0.580
   31   2HB   ARG  19          2HB       ARG  19  -7.963  -7.594   0.716
   32   1HG   ARG  19          1HG       ARG  19 -10.225  -6.984   1.052
   33   2HG   ARG  19          2HG       ARG  19 -10.060  -5.552   0.033
   34   1HD   ARG  19          1HD       ARG  19  -9.776  -8.395  -0.935
   35   2HD   ARG  19          2HD       ARG  19 -11.248  -7.434  -1.070
   36    HE   ARG  19           HE       ARG  19  -9.637  -5.843  -2.354
   37   1HH1  ARG  19          1HH1      ARG  19  -9.665  -9.326  -2.448
   38   2HH1  ARG  19          2HH1      ARG  19  -9.042  -9.416  -4.061
   39   1HH2  ARG  19          1HH2      ARG  19  -8.818  -5.954  -4.481
   40   2HH2  ARG  19          2HH2      ARG  19  -8.561  -7.500  -5.216
   41    H    TRP  20           H        TRP  20  -7.243  -3.333   2.493
   42    HA   TRP  20           HA       TRP  20  -7.343  -1.819  -0.002
   43   1HB   TRP  20          1HB       TRP  20  -8.927  -1.257   2.502
   44   2HB   TRP  20          2HB       TRP  20  -8.704  -0.073   1.211
   45    HD1  TRP  20           HD1      TRP  20 -10.434  -3.380   1.999
   46    HE1  TRP  20           HE1      TRP  20 -12.211  -3.835   0.176
   47    HE3  TRP  20           HE3      TRP  20  -9.344   0.472  -1.170
   48    HZ2  TRP  20           HZ2      TRP  20 -13.017  -2.690  -2.289
   49    HZ3  TRP  20           HZ3      TRP  20 -10.663   0.730  -3.230
   50    HH2  TRP  20           HH2      TRP  20 -12.468  -0.819  -3.775
   51    H    ALA  21           H        ALA  21  -6.301   0.279   0.138
   52    HA   ALA  21           HA       ALA  21  -4.543   0.597   2.457
   53   1HB   ALA  21          2HB       ALA  21  -2.624   0.637   1.238
   54   2HB   ALA  21          1HB       ALA  21  -3.558  -0.448   0.207
   55   3HB   ALA  21          3HB       ALA  21  -3.424   1.261  -0.206
   56    H    ARG  22           H        ARG  22  -5.381   2.422   3.305
   57    HA   ARG  22           HA       ARG  22  -5.869   4.663   1.469
   58   1HB   ARG  22          1HB       ARG  22  -7.862   4.280   2.673
   59   2HB   ARG  22          2HB       ARG  22  -7.002   4.015   4.185
   60   1HG   ARG  22          1HG       ARG  22  -6.782   6.246   4.608
   61   2HG   ARG  22          2HG       ARG  22  -6.754   6.678   2.899
   62   1HD   ARG  22          1HD       ARG  22  -9.198   6.028   2.830
   63   2HD   ARG  22          2HD       ARG  22  -9.136   5.956   4.592
   64    HE   ARG  22           HE       ARG  22  -8.122   8.430   3.816
   65   1HH1  ARG  22          1HH1      ARG  22 -11.137   6.690   3.692
   66   2HH1  ARG  22          2HH1      ARG  22 -12.112   8.119   3.750
   67   1HH2  ARG  22          1HH2      ARG  22  -9.395  10.317   3.890
   68   2HH2  ARG  22          2HH2      ARG  22 -11.122  10.183   3.861
   69    H    ALA  23           H        ALA  23  -4.160   5.875   1.304
   70    HA   ALA  23           HA       ALA  23  -2.148   6.012   3.324
   71   1HB   ALA  23          3HB       ALA  23  -1.343   6.151   1.141
   72   2HB   ALA  23          2HB       ALA  23  -2.531   7.370   0.682
   73   3HB   ALA  23          1HB       ALA  23  -1.201   7.796   1.760
   74    H    LEU  24           H        LEU  24  -2.197   7.207   5.067
   75    HA   LEU  24           HA       LEU  24  -3.973   9.503   5.264
   76   1HB   LEU  24          1HB       LEU  24  -2.103   8.901   7.472
   77   2HB   LEU  24          2HB       LEU  24  -3.814   9.274   7.525
   78    HG   LEU  24           HG       LEU  24  -2.775   6.593   6.628
   79   1HD1  LEU  24          1HD1      LEU  24  -3.218   7.669   9.365
   80   2HD1  LEU  24          2HD1      LEU  24  -3.670   5.999   9.028
   81   3HD1  LEU  24          3HD1      LEU  24  -2.007   6.529   8.780
   82   1HD2  LEU  24          1HD2      LEU  24  -5.386   7.844   6.917
   83   2HD2  LEU  24          2HD2      LEU  24  -4.919   6.383   6.045
   84   3HD2  LEU  24          3HD2      LEU  24  -5.260   6.308   7.774
   85    H    TYR  25           H        TYR  25  -0.776   8.699   4.582
   86    HA   TYR  25           HA       TYR  25   0.021  11.519   4.499
   87   1HB   TYR  25          1HB       TYR  25   2.054   9.424   5.183
   88   2HB   TYR  25          2HB       TYR  25   2.084  11.151   5.516
   89    HD1  TYR  25           HD1      TYR  25   0.192  11.961   7.201
   90    HD2  TYR  25           HD2      TYR  25   1.671   7.978   6.940
   91    HE1  TYR  25           HE1      TYR  25  -0.561  11.536   9.503
   92    HE2  TYR  25           HE2      TYR  25   0.924   7.546   9.242
   93    HH   TYR  25           HH       TYR  25  -1.196   9.561  10.900
   94    H    ASP  26           H        ASP  26   2.251  11.536   3.175
   95    HA   ASP  26           HA       ASP  26   1.669  10.857   0.558
   96   1HB   ASP  26          1HB       ASP  26   3.530  12.395   1.578
   97   2HB   ASP  26          2HB       ASP  26   4.522  10.944   1.474
   98    H    PHE  27           H        PHE  27   3.472   9.473  -0.726
   99    HA   PHE  27           HA       PHE  27   3.157   6.749   0.306
  100   1HB   PHE  27          1HB       PHE  27   3.330   6.001  -1.943
  101   2HB   PHE  27          2HB       PHE  27   2.287   7.420  -1.976
  102    HD1  PHE  27           HD1      PHE  27   5.447   5.988  -3.021
  103    HD2  PHE  27           HD2      PHE  27   3.122   9.551  -2.863
  104    HE1  PHE  27           HE1      PHE  27   6.915   7.025  -4.710
  105    HE2  PHE  27           HE2      PHE  27   4.582  10.589  -4.550
  106    HZ   PHE  27           HZ       PHE  27   6.482   9.325  -5.475
  107    H    GLU  28           H        GLU  28   4.851   5.284   0.409
  108    HA   GLU  28           HA       GLU  28   7.515   6.500   0.561
  109   1HB   GLU  28          1HB       GLU  28   6.644   3.794   1.573
  110   2HB   GLU  28          2HB       GLU  28   8.140   4.637   1.947
  111   1HG   GLU  28          1HG       GLU  28   5.944   6.313   2.638
  112   2HG   GLU  28          2HG       GLU  28   5.692   4.714   3.336
  113    H    ALA  29           H        ALA  29   5.920   5.198  -1.856
  114    HA   ALA  29           HA       ALA  29   7.546   2.994  -2.628
  115   1HB   ALA  29          3HB       ALA  29   6.497   3.939  -4.974
  116   2HB   ALA  29          1HB       ALA  29   5.711   2.798  -3.883
  117   3HB   ALA  29          2HB       ALA  29   5.341   4.518  -3.775
  118    H    LEU  30           H        LEU  30   9.683   3.326  -2.801
  119    HA   LEU  30           HA       LEU  30  10.608   5.607  -4.413
  120   1HB   LEU  30          1HB       LEU  30  12.616   4.052  -2.930
  121   2HB   LEU  30          2HB       LEU  30  12.438   5.787  -3.101
  122    HG   LEU  30           HG       LEU  30  10.612   4.211  -1.310
  123   1HD1  LEU  30          1HD1      LEU  30  13.428   5.044  -0.843
  124   2HD1  LEU  30          2HD1      LEU  30  12.272   5.198   0.479
  125   3HD1  LEU  30          3HD1      LEU  30  12.556   3.625  -0.264
  126   1HD2  LEU  30          1HD2      LEU  30  10.170   6.617  -2.059
  127   2HD2  LEU  30          2HD2      LEU  30  10.120   6.278  -0.328
  128   3HD2  LEU  30          3HD2      LEU  30  11.538   7.053  -1.035
  129    H    GLU  31           H        GLU  31  10.077   2.313  -4.488
  130    HA   GLU  31           HA       GLU  31  12.237   1.767  -6.389
  131   1HB   GLU  31          1HB       GLU  31  10.229   0.000  -5.001
  132   2HB   GLU  31          2HB       GLU  31  11.265  -0.588  -6.294
  133   1HG   GLU  31          1HG       GLU  31  12.792   0.805  -4.283
  134   2HG   GLU  31          2HG       GLU  31  11.847  -0.507  -3.583
  135    H    GLU  32           H        GLU  32  11.416   0.155  -8.215
  136    HA   GLU  32           HA       GLU  32   9.527   1.712  -9.772
  137   1HB   GLU  32          1HB       GLU  32  10.178   0.095 -11.599
  138   2HB   GLU  32          2HB       GLU  32  11.489   1.070 -10.949
  139   1HG   GLU  32          1HG       GLU  32  11.419  -1.267  -9.405
  140   2HG   GLU  32          2HG       GLU  32  11.235  -1.776 -11.083
  141    H    ASP  33           H        ASP  33   9.819  -1.575  -8.488
  142    HA   ASP  33           HA       ASP  33   7.279  -2.411  -9.554
  143   1HB   ASP  33          1HB       ASP  33   9.529  -3.652  -8.228
  144   2HB   ASP  33          2HB       ASP  33   8.016  -4.166  -7.487
  145    H    GLU  34           H        GLU  34   7.556  -0.078  -7.624
  146    HA   GLU  34           HA       GLU  34   5.749  -1.033  -5.510
  147   1HB   GLU  34          1HB       GLU  34   8.014   0.748  -5.523
  148   2HB   GLU  34          2HB       GLU  34   6.588   1.585  -4.926
  149   1HG   GLU  34          1HG       GLU  34   6.737   0.566  -2.975
  150   2HG   GLU  34          2HG       GLU  34   6.753  -1.018  -3.750
  151    H    LEU  35           H        LEU  35   4.291   0.821  -4.693
  152    HA   LEU  35           HA       LEU  35   3.121   2.256  -6.981
  153   1HB   LEU  35          1HB       LEU  35   1.676   0.396  -6.518
  154   2HB   LEU  35          2HB       LEU  35   1.709   0.730  -4.797
  155    HG   LEU  35           HG       LEU  35   0.579   2.955  -5.375
  156   1HD1  LEU  35          1HD1      LEU  35   0.890   1.835  -7.997
  157   2HD1  LEU  35          2HD1      LEU  35  -0.818   2.082  -7.638
  158   3HD1  LEU  35          3HD1      LEU  35   0.310   3.432  -7.522
  159   1HD2  LEU  35          1HD2      LEU  35  -0.463   0.846  -4.381
  160   2HD2  LEU  35          2HD2      LEU  35  -1.550   2.007  -5.143
  161   3HD2  LEU  35          3HD2      LEU  35  -1.087   0.538  -6.002
  162    H    GLY  36           H        GLY  36   2.529   4.351  -6.602
  163   1HA   GLY  36          1HA       GLY  36   3.439   6.241  -5.313
  164   2HA   GLY  36          2HA       GLY  36   3.009   5.343  -3.870
  165    H    PHE  37           H        PHE  37   1.403   6.280  -2.864
  166    HA   PHE  37           HA       PHE  37  -0.831   7.368  -4.446
  167   1HB   PHE  37          1HB       PHE  37  -1.950   6.998  -2.020
  168   2HB   PHE  37          2HB       PHE  37  -2.013   5.797  -3.304
  169    HD1  PHE  37           HD1      PHE  37  -1.734   3.671  -2.520
  170    HD2  PHE  37           HD2      PHE  37   0.513   6.817  -0.744
  171    HE1  PHE  37           HE1      PHE  37  -0.659   2.049  -1.018
  172    HE2  PHE  37           HE2      PHE  37   1.596   5.199   0.759
  173    HZ   PHE  37           HZ       PHE  37   1.008   2.812   0.626
  174    H    ARG  38           H        ARG  38  -2.184   8.770  -2.623
  175    HA   ARG  38           HA       ARG  38  -0.238  10.638  -1.441
  176   1HB   ARG  38          1HB       ARG  38  -2.764  11.488  -2.857
  177   2HB   ARG  38          2HB       ARG  38  -1.513  12.532  -2.197
  178   1HG   ARG  38          1HG       ARG  38  -0.061  11.021  -3.904
  179   2HG   ARG  38          2HG       ARG  38  -1.610  11.084  -4.743
  180   1HD   ARG  38          1HD       ARG  38  -0.492  13.605  -3.623
  181   2HD   ARG  38          2HD       ARG  38   0.227  12.947  -5.092
  182    HE   ARG  38           HE       ARG  38  -2.672  13.366  -4.983
  183   1HH1  ARG  38          1HH1      ARG  38   0.450  14.206  -6.279
  184   2HH1  ARG  38          2HH1      ARG  38  -0.198  15.136  -7.587
  185   1HH2  ARG  38          1HH2      ARG  38  -3.536  14.591  -6.703
  186   2HH2  ARG  38          2HH2      ARG  38  -2.463  15.355  -7.828
  187    H    SER  39           H        SER  39  -1.340  12.184   0.125
  188    HA   SER  39           HA       SER  39  -2.484  10.775   2.221
  189   1HB   SER  39          1HB       SER  39  -3.289  13.580   2.195
  190   2HB   SER  39          2HB       SER  39  -2.245  12.721   3.327
  191    HG   SER  39           HG       SER  39  -0.553  13.423   2.289
  192    H    GLY  40           H        GLY  40  -4.561  10.580   3.041
  193   1HA   GLY  40          1HA       GLY  40  -6.898  11.746   2.161
  194   2HA   GLY  40          2HA       GLY  40  -6.808  10.151   2.887
  195    H    GLU  41           H        GLU  41  -5.523   8.652   1.023
  196    HA   GLU  41           HA       GLU  41  -7.359   8.818  -1.276
  197   1HB   GLU  41          1HB       GLU  41  -4.415   8.168  -1.267
  198   2HB   GLU  41          2HB       GLU  41  -5.469   7.761  -2.614
  199   1HG   GLU  41          1HG       GLU  41  -5.205  10.560  -1.566
  200   2HG   GLU  41          2HG       GLU  41  -4.137   9.901  -2.804
  201    H    VAL  42           H        VAL  42  -8.404   7.000  -1.837
  202    HA   VAL  42           HA       VAL  42  -8.006   4.645  -0.157
  203    HB   VAL  42           HB       VAL  42 -10.188   5.162  -2.182
  204   1HG1  VAL  42          1HG1      VAL  42  -9.966   3.145   0.050
  205   2HG1  VAL  42          2HG1      VAL  42 -11.380   3.387  -0.974
  206   3HG1  VAL  42          3HG1      VAL  42  -9.871   2.805  -1.678
  207   1HG2  VAL  42          1HG2      VAL  42  -9.913   6.716  -0.075
  208   2HG2  VAL  42          2HG2      VAL  42 -11.500   6.127  -0.567
  209   3HG2  VAL  42          3HG2      VAL  42 -10.640   5.341   0.757
  210    H    VAL  43           H        VAL  43  -7.189   2.766  -0.865
  211    HA   VAL  43           HA       VAL  43  -6.787   2.408  -3.760
  212    HB   VAL  43           HB       VAL  43  -4.771   1.952  -1.561
  213   1HG1  VAL  43          1HG1      VAL  43  -4.902   0.086  -3.286
  214   2HG1  VAL  43          2HG1      VAL  43  -4.335   1.280  -4.454
  215   3HG1  VAL  43          3HG1      VAL  43  -3.333   0.862  -3.064
  216   1HG2  VAL  43          1HG2      VAL  43  -4.944   3.794  -3.919
  217   2HG2  VAL  43          2HG2      VAL  43  -4.659   4.186  -2.223
  218   3HG2  VAL  43          3HG2      VAL  43  -3.398   3.398  -3.170
  219    H    GLU  44           H        GLU  44  -7.075   0.343  -4.546
  220    HA   GLU  44           HA       GLU  44  -8.291  -1.565  -2.694
  221   1HB   GLU  44          1HB       GLU  44  -9.180  -0.876  -5.064
  222   2HB   GLU  44          2HB       GLU  44  -8.012  -2.056  -5.637
  223   1HG   GLU  44          1HG       GLU  44  -9.106  -3.828  -4.594
  224   2HG   GLU  44          2HG       GLU  44 -10.016  -2.757  -3.529
  225    H    VAL  45           H        VAL  45  -7.009  -2.989  -1.728
  226    HA   VAL  45           HA       VAL  45  -4.396  -3.625  -2.772
  227    HB   VAL  45           HB       VAL  45  -5.856  -4.586  -0.313
  228   1HG1  VAL  45          1HG1      VAL  45  -3.033  -5.177  -1.188
  229   2HG1  VAL  45          2HG1      VAL  45  -3.704  -5.544   0.401
  230   3HG1  VAL  45          3HG1      VAL  45  -4.353  -6.337  -1.033
  231   1HG2  VAL  45          1HG2      VAL  45  -3.701  -2.555  -0.811
  232   2HG2  VAL  45          2HG2      VAL  45  -5.261  -2.336  -0.018
  233   3HG2  VAL  45          3HG2      VAL  45  -3.984  -3.250   0.784
  234    H    LEU  46           H        LEU  46  -3.697  -5.502  -3.653
  235    HA   LEU  46           HA       LEU  46  -5.767  -7.433  -4.430
  236   1HB   LEU  46          1HB       LEU  46  -3.361  -6.350  -5.702
  237   2HB   LEU  46          2HB       LEU  46  -3.506  -8.091  -5.851
  238    HG   LEU  46           HG       LEU  46  -5.883  -6.428  -6.530
  239   1HD1  LEU  46          1HD1      LEU  46  -3.518  -5.678  -7.607
  240   2HD1  LEU  46          2HD1      LEU  46  -4.024  -6.922  -8.750
  241   3HD1  LEU  46          3HD1      LEU  46  -5.073  -5.540  -8.428
  242   1HD2  LEU  46          1HD2      LEU  46  -5.087  -9.134  -6.749
  243   2HD2  LEU  46          2HD2      LEU  46  -6.598  -8.392  -7.273
  244   3HD2  LEU  46          3HD2      LEU  46  -5.233  -8.488  -8.384
  245    H    ASP  47           H        ASP  47  -3.057  -7.059  -2.397
  246    HA   ASP  47           HA       ASP  47  -3.299  -9.763  -1.445
  247   1HB   ASP  47          1HB       ASP  47  -1.307  -9.161  -3.404
  248   2HB   ASP  47          2HB       ASP  47  -0.501  -9.483  -1.872
  249    H    SER  48           H        SER  48  -3.570  -9.206   0.630
  250    HA   SER  48           HA       SER  48  -1.784  -7.229   1.878
  251   1HB   SER  48          1HB       SER  48  -4.051  -8.562   3.317
  252   2HB   SER  48          2HB       SER  48  -3.399  -6.936   3.521
  253    HG   SER  48           HG       SER  48  -4.480  -7.467   1.038
  254    H    SER  49           H        SER  49  -1.634 -10.424   1.281
  255    HA   SER  49           HA       SER  49  -0.851 -11.271   3.920
  256   1HB   SER  49          1HB       SER  49  -0.345 -12.596   1.239
  257   2HB   SER  49          2HB       SER  49  -0.134 -13.347   2.821
  258    HG   SER  49           HG       SER  49  -2.148 -13.875   1.833
  259    H    ASN  50           H        ASN  50   0.883 -10.528   4.782
  260    HA   ASN  50           HA       ASN  50   3.485 -10.904   4.134
  261   1HB   ASN  50          1HB       ASN  50   2.317  -8.656   2.645
  262   2HB   ASN  50          2HB       ASN  50   3.802  -8.255   3.499
  263   1HD2  ASN  50          1HD2      ASN  50   2.833  -8.832   0.612
  264   2HD2  ASN  50          2HD2      ASN  50   4.105  -9.804  -0.026
  265    HA   PRO  51           HA       PRO  51   3.531  -8.801   8.027
  266   1HB   PRO  51          1HB       PRO  51   6.145  -8.792   8.596
  267   2HB   PRO  51          2HB       PRO  51   5.239 -10.301   8.441
  268   1HG   PRO  51          1HG       PRO  51   7.176  -9.058   6.569
  269   2HG   PRO  51          2HG       PRO  51   6.800 -10.769   6.830
  270   1HD   PRO  51          1HD       PRO  51   5.816  -9.079   4.762
  271   2HD   PRO  51          2HD       PRO  51   5.323 -10.746   5.113
  272    H    SER  52           H        SER  52   4.319  -7.067   5.348
  273    HA   SER  52           HA       SER  52   4.280  -4.603   6.745
  274   1HB   SER  52          1HB       SER  52   6.873  -5.782   6.359
  275   2HB   SER  52          2HB       SER  52   6.761  -4.274   5.453
  276    HG   SER  52           HG       SER  52   5.959  -4.487   8.158
  277    H    TRP  53           H        TRP  53   5.653  -5.922   3.712
  278    HA   TRP  53           HA       TRP  53   4.404  -3.702   2.267
  279   1HB   TRP  53          1HB       TRP  53   6.612  -5.624   1.659
  280   2HB   TRP  53          2HB       TRP  53   5.765  -4.848   0.331
  281    HD1  TRP  53           HD1      TRP  53   8.305  -4.167   3.064
  282    HE1  TRP  53           HE1      TRP  53   9.305  -1.821   2.711
  283    HE3  TRP  53           HE3      TRP  53   5.142  -2.477  -0.574
  284    HZ2  TRP  53           HZ2      TRP  53   8.819   0.447   1.095
  285    HZ3  TRP  53           HZ3      TRP  53   5.475  -0.211  -1.468
  286    HH2  TRP  53           HH2      TRP  53   7.274   1.220  -0.649
  287    H    TRP  54           H        TRP  54   2.416  -4.031   1.484
  288    HA   TRP  54           HA       TRP  54   1.686  -6.744   0.599
  289   1HB   TRP  54          1HB       TRP  54  -0.190  -4.446   1.206
  290   2HB   TRP  54          2HB       TRP  54  -0.635  -6.103   0.813
  291    HD1  TRP  54           HD1      TRP  54   1.857  -7.050   2.958
  292    HE1  TRP  54           HE1      TRP  54   1.110  -7.243   5.402
  293    HE3  TRP  54           HE3      TRP  54  -2.367  -4.196   2.738
  294    HZ2  TRP  54           HZ2      TRP  54  -0.976  -6.288   7.045
  295    HZ3  TRP  54           HZ3      TRP  54  -3.683  -3.877   4.794
  296    HH2  TRP  54           HH2      TRP  54  -3.001  -4.903   6.902
  297    H    THR  55           H        THR  55   0.670  -7.036  -1.414
  298    HA   THR  55           HA       THR  55   1.435  -5.062  -3.405
  299    HB   THR  55           HB       THR  55   0.174  -7.787  -3.788
  300    HG1  THR  55           HG1      THR  55   2.193  -8.135  -2.975
  301   1HG2  THR  55          1HG2      THR  55   0.637  -5.631  -5.604
  302   2HG2  THR  55          2HG2      THR  55   1.713  -6.965  -6.018
  303   3HG2  THR  55          3HG2      THR  55  -0.029  -7.229  -5.935
  304    H    GLY  56           H        GLY  56   0.075  -3.526  -4.058
  305   1HA   GLY  56          1HA       GLY  56  -2.368  -2.847  -3.302
  306   2HA   GLY  56          2HA       GLY  56  -2.760  -4.153  -4.415
  307    H    ARG  57           H        ARG  57  -3.925  -2.096  -5.332
  308    HA   ARG  57           HA       ARG  57  -2.066  -0.590  -7.027
  309   1HB   ARG  57          1HB       ARG  57  -3.586  -0.873  -8.970
  310   2HB   ARG  57          2HB       ARG  57  -2.815  -2.367  -8.447
  311   1HG   ARG  57          1HG       ARG  57  -4.784  -3.283  -7.716
  312   2HG   ARG  57          2HG       ARG  57  -5.522  -1.711  -7.395
  313   1HD   ARG  57          1HD       ARG  57  -6.240  -1.459  -9.530
  314   2HD   ARG  57          2HD       ARG  57  -4.840  -2.285 -10.210
  315    HE   ARG  57           HE       ARG  57  -6.400  -4.178  -8.875
  316   1HH1  ARG  57          1HH1      ARG  57  -6.580  -2.091 -11.662
  317   2HH1  ARG  57          2HH1      ARG  57  -7.644  -3.139 -12.539
  318   1HH2  ARG  57          1HH2      ARG  57  -7.798  -5.564 -10.024
  319   2HH2  ARG  57          2HH2      ARG  57  -8.337  -5.115 -11.607
  320    H    LEU  58           H        LEU  58  -2.512   1.487  -7.316
  321    HA   LEU  58           HA       LEU  58  -4.868   2.582  -5.964
  322   1HB   LEU  58          1HB       LEU  58  -3.130   3.773  -5.111
  323   2HB   LEU  58          2HB       LEU  58  -2.113   3.489  -6.510
  324    HG   LEU  58           HG       LEU  58  -4.283   5.300  -7.168
  325   1HD1  LEU  58          1HD1      LEU  58  -2.567   5.940  -4.793
  326   2HD1  LEU  58          2HD1      LEU  58  -3.282   7.192  -5.806
  327   3HD1  LEU  58          3HD1      LEU  58  -4.320   6.055  -4.946
  328   1HD2  LEU  58          1HD2      LEU  58  -1.507   4.871  -7.705
  329   2HD2  LEU  58          2HD2      LEU  58  -2.677   5.844  -8.597
  330   3HD2  LEU  58          3HD2      LEU  58  -1.770   6.558  -7.264
  331    H    HIS  59           H        HIS  59  -6.571   3.082  -7.177
  332    HA   HIS  59           HA       HIS  59  -7.868   3.817  -8.892
  333   1HB   HIS  59          1HB       HIS  59  -6.815   5.905  -8.841
  334   2HB   HIS  59          2HB       HIS  59  -5.290   5.260  -9.427
  335    HD1  HIS  59           HD1      HIS  59  -8.552   4.646 -11.209
  336    HD2  HIS  59           HD2      HIS  59  -5.116   6.950 -11.577
  337    HE1  HIS  59           HE1      HIS  59  -8.673   5.667 -13.506
  338    HE2  HIS  59           HE2      HIS  59  -6.641   7.150 -13.661
  339    H    ASN  60           H        ASN  60  -4.840   3.574 -10.752
  340    HA   ASN  60           HA       ASN  60  -5.779   1.114 -12.001
  341   1HB   ASN  60          1HB       ASN  60  -6.463   3.402 -13.237
  342   2HB   ASN  60          2HB       ASN  60  -4.852   3.186 -13.914
  343   1HD2  ASN  60          1HD2      ASN  60  -7.487   3.030 -15.181
  344   2HD2  ASN  60          2HD2      ASN  60  -7.568   1.464 -15.905
  345    H    LYS  61           H        LYS  61  -3.479   2.336 -10.359
  346    HA   LYS  61           HA       LYS  61  -1.272   1.347 -12.042
  347   1HB   LYS  61          1HB       LYS  61  -1.168   3.268  -9.703
  348   2HB   LYS  61          2HB       LYS  61   0.218   2.717 -10.636
  349   1HG   LYS  61          1HG       LYS  61  -0.469   3.896 -12.552
  350   2HG   LYS  61          2HG       LYS  61  -2.086   4.168 -11.899
  351   1HD   LYS  61          1HD       LYS  61  -1.325   6.166 -11.248
  352   2HD   LYS  61          2HD       LYS  61  -0.436   5.293  -9.998
  353   1HE   LYS  61          1HE       LYS  61   1.540   5.675 -10.981
  354   2HE   LYS  61          2HE       LYS  61   0.910   5.309 -12.587
  355   1HZ   LYS  61          1HZ       LYS  61  -0.045   7.534 -12.668
  356   2HZ   LYS  61          2HZ       LYS  61   0.589   7.882 -11.139
  357   3HZ   LYS  61          3HZ       LYS  61   1.630   7.599 -12.441
  358    H    LEU  62           H        LEU  62  -0.268  -0.468 -11.376
  359    HA   LEU  62           HA       LEU  62  -0.999  -1.514  -8.734
  360   1HB   LEU  62          1HB       LEU  62   0.453  -3.241 -10.641
  361   2HB   LEU  62          2HB       LEU  62  -0.889  -3.618  -9.578
  362    HG   LEU  62           HG       LEU  62  -1.871  -1.858 -11.575
  363   1HD1  LEU  62          1HD1      LEU  62   0.085  -3.864 -12.552
  364   2HD1  LEU  62          2HD1      LEU  62  -1.413  -3.665 -13.460
  365   3HD1  LEU  62          3HD1      LEU  62  -0.345  -2.285 -13.209
  366   1HD2  LEU  62          1HD2      LEU  62  -3.125  -3.575 -10.334
  367   2HD2  LEU  62          2HD2      LEU  62  -3.329  -3.726 -12.079
  368   3HD2  LEU  62          3HD2      LEU  62  -2.254  -4.828 -11.218
  369    H    GLY  63           H        GLY  63   0.507  -2.242  -7.271
  370   1HA   GLY  63          1HA       GLY  63   3.059  -0.936  -7.353
  371   2HA   GLY  63          2HA       GLY  63   3.184  -2.674  -7.568
  372    H    LEU  64           H        LEU  64   4.426  -2.676  -5.597
  373    HA   LEU  64           HA       LEU  64   2.879  -3.382  -3.334
  374   1HB   LEU  64          1HB       LEU  64   5.763  -2.674  -3.070
  375   2HB   LEU  64          2HB       LEU  64   4.870  -3.994  -2.342
  376    HG   LEU  64           HG       LEU  64   5.609  -3.868  -5.263
  377   1HD1  LEU  64          1HD1      LEU  64   7.285  -4.347  -3.072
  378   2HD1  LEU  64          2HD1      LEU  64   6.937  -5.926  -3.776
  379   3HD1  LEU  64          3HD1      LEU  64   7.625  -4.646  -4.776
  380   1HD2  LEU  64          1HD2      LEU  64   3.870  -5.561  -3.710
  381   2HD2  LEU  64          2HD2      LEU  64   4.129  -5.514  -5.453
  382   3HD2  LEU  64          3HD2      LEU  64   5.181  -6.493  -4.431
  383    H    PHE  65           H        PHE  65   2.560  -2.343  -1.370
  384    HA   PHE  65           HA       PHE  65   3.409   0.466  -1.200
  385   1HB   PHE  65          1HB       PHE  65   1.292   1.282  -0.761
  386   2HB   PHE  65          2HB       PHE  65   0.909   0.010  -1.921
  387    HD1  PHE  65           HD1      PHE  65  -0.350  -1.919  -1.248
  388    HD2  PHE  65           HD2      PHE  65   0.868   0.985   1.608
  389    HE1  PHE  65           HE1      PHE  65  -1.848  -2.933   0.416
  390    HE2  PHE  65           HE2      PHE  65  -0.612  -0.013   3.278
  391    HZ   PHE  65           HZ       PHE  65  -1.983  -1.982   2.689
  392    HA   PRO  66           HA       PRO  66   4.429  -0.506   3.004
  393   1HB   PRO  66          1HB       PRO  66   4.236   1.847   4.223
  394   2HB   PRO  66          2HB       PRO  66   5.399   1.619   2.906
  395   1HG   PRO  66          1HG       PRO  66   2.636   2.807   2.782
  396   2HG   PRO  66          2HG       PRO  66   4.153   3.488   2.173
  397   1HD   PRO  66          1HD       PRO  66   2.453   2.160   0.563
  398   2HD   PRO  66          2HD       PRO  66   4.210   2.074   0.349
  399    H    ALA  67           H        ALA  67   2.980  -1.840   4.043
  400    HA   ALA  67           HA       ALA  67   0.293  -1.061   4.624
  401   1HB   ALA  67          1HB       ALA  67   1.880  -3.348   5.786
  402   2HB   ALA  67          2HB       ALA  67   0.944  -3.411   4.293
  403   3HB   ALA  67          3HB       ALA  67   0.128  -3.154   5.835
  404    H    ASN  68           H        ASN  68   3.205  -0.222   5.999
  405    HA   ASN  68           HA       ASN  68   2.165   0.047   8.710
  406   1HB   ASN  68          1HB       ASN  68   4.310  -0.348   9.220
  407   2HB   ASN  68          2HB       ASN  68   4.783  -0.205   7.531
  408   1HD2  ASN  68          1HD2      ASN  68   4.956   2.094   6.734
  409   2HD2  ASN  68          2HD2      ASN  68   5.700   3.230   7.801
  410    H    TYR  69           H        TYR  69   2.815   1.936   5.869
  411    HA   TYR  69           HA       TYR  69   2.637   4.467   7.244
  412   1HB   TYR  69          1HB       TYR  69   3.727   3.668   4.840
  413   2HB   TYR  69          2HB       TYR  69   2.277   4.536   4.342
  414    HD1  TYR  69           HD1      TYR  69   2.584   6.762   3.856
  415    HD2  TYR  69           HD2      TYR  69   5.025   4.980   6.848
  416    HE1  TYR  69           HE1      TYR  69   3.757   8.901   4.167
  417    HE2  TYR  69           HE2      TYR  69   6.202   7.114   7.170
  418    HH   TYR  69           HH       TYR  69   6.649   9.168   5.976
  419    H    VAL  70           H        VAL  70   0.541   2.473   5.190
  420    HA   VAL  70           HA       VAL  70  -1.680   4.277   5.927
  421    HB   VAL  70           HB       VAL  70  -2.492   4.333   3.825
  422   1HG1  VAL  70          1HG1      VAL  70   0.102   4.749   3.818
  423   2HG1  VAL  70          2HG1      VAL  70   0.104   3.321   2.782
  424   3HG1  VAL  70          3HG1      VAL  70  -0.822   4.748   2.315
  425   1HG2  VAL  70          1HG2      VAL  70  -1.548   1.495   3.549
  426   2HG2  VAL  70          2HG2      VAL  70  -3.201   2.110   3.572
  427   3HG2  VAL  70          3HG2      VAL  70  -2.168   2.414   2.176
  428    H    ALA  71           H        ALA  71  -3.797   3.305   6.107
  429    HA   ALA  71           HA       ALA  71  -3.688   0.449   6.856
  430   1HB   ALA  71          1HB       ALA  71  -4.792   2.798   8.261
  431   2HB   ALA  71          2HB       ALA  71  -4.112   1.304   8.905
  432   3HB   ALA  71          3HB       ALA  71  -5.771   1.331   8.307
  433    HA   PRO  72           HA       PRO  72  -6.840  -0.395   3.906
  434   1HB   PRO  72          1HB       PRO  72  -8.100  -2.208   5.866
  435   2HB   PRO  72          2HB       PRO  72  -7.457  -2.554   4.258
  436   1HG   PRO  72          1HG       PRO  72  -6.170  -3.345   6.435
  437   2HG   PRO  72          2HG       PRO  72  -5.282  -2.742   5.024
  438   1HD   PRO  72          1HD       PRO  72  -5.936  -1.323   7.591
  439   2HD   PRO  72          2HD       PRO  72  -4.419  -1.326   6.664
  440    H    MET  73           H        MET  73  -8.645   0.443   3.289
  441    HA   MET  73           HA       MET  73 -10.281   1.989   5.074
  442   1HB   MET  73          1HB       MET  73  -9.548   2.311   2.525
  443   2HB   MET  73          2HB       MET  73 -11.059   1.458   2.255
  444   1HG   MET  73          1HG       MET  73 -11.812   3.345   4.071
  445   2HG   MET  73          2HG       MET  73 -10.575   4.202   3.155
  446   1HE   MET  73          1HE       MET  73 -13.898   2.427   3.239
  447   2HE   MET  73          2HE       MET  73 -14.619   2.674   1.649
  448   3HE   MET  73          3HE       MET  73 -13.344   1.474   1.862
  449    H    MET  74           H        MET  74 -11.548   0.721   6.382
  450    HA   MET  74           HA       MET  74 -12.898  -1.607   5.324
  451   1HB   MET  74          1HB       MET  74 -12.041  -1.733   7.572
  452   2HB   MET  74          2HB       MET  74 -12.944  -0.300   8.046
  453   1HG   MET  74          1HG       MET  74 -14.976  -1.824   7.233
  454   2HG   MET  74          2HG       MET  74 -13.846  -3.093   7.703
  455   1HE   MET  74          1HE       MET  74 -13.132  -3.710   9.658
  456   2HE   MET  74          2HE       MET  74 -12.631  -2.459  10.796
  457   3HE   MET  74          3HE       MET  74 -14.011  -3.492  11.172
  458    H    ARG  75           H        ARG  75 -14.644  -1.353   4.110
  459    HA   ARG  75           HA       ARG  75 -16.252   0.959   4.054
  460   1HB   ARG  75          1HB       ARG  75 -16.244  -1.682   2.778
  461   2HB   ARG  75          2HB       ARG  75 -17.851  -1.005   2.993
  462   1HG   ARG  75          1HG       ARG  75 -17.466   0.734   1.557
  463   2HG   ARG  75          2HG       ARG  75 -15.722   0.719   1.832
  464   1HD   ARG  75          1HD       ARG  75 -15.586  -0.329  -0.137
  465   2HD   ARG  75          2HD       ARG  75 -16.175  -1.749   0.725
  466    HE   ARG  75           HE       ARG  75 -18.154   0.065  -0.421
  467   1HH1  ARG  75          1HH1      ARG  75 -16.432  -2.962  -0.586
  468   2HH1  ARG  75          2HH1      ARG  75 -17.550  -3.685  -1.694
  469   1HH2  ARG  75          1HH2      ARG  75 -19.628  -0.882  -1.883
  470   2HH2  ARG  75          2HH2      ARG  75 -19.364  -2.503  -2.430
  471    H1   ALA  76           H1       ALA  76   5.643   8.201  13.140
  472    H2   ALA  76           H2       ALA  76   6.637   9.569  13.103
  473    H3   ALA  76           H3       ALA  76   5.023   9.684  12.611
  474    HA   ALA  76           HA       ALA  76   5.464   9.035  10.561
  475   1HB   ALA  76          2HB       ALA  76   8.391   8.973  11.133
  476   2HB   ALA  76          1HB       ALA  76   7.525   9.672   9.765
  477   3HB   ALA  76          3HB       ALA  76   7.503  10.485  11.330
  478    HA   PRO  77           HA       PRO  77   5.675   4.523  11.325
  479   1HB   PRO  77          1HB       PRO  77   4.468   4.659   8.607
  480   2HB   PRO  77          2HB       PRO  77   3.970   3.714  10.014
  481   1HG   PRO  77          1HG       PRO  77   2.605   5.876   9.289
  482   2HG   PRO  77          2HG       PRO  77   2.886   5.512  11.003
  483   1HD   PRO  77          1HD       PRO  77   4.222   7.529   9.247
  484   2HD   PRO  77          2HD       PRO  77   3.767   7.647  10.959
  485    H    SER  78           H        SER  78   7.456   3.389  10.911
  486    HA   SER  78           HA       SER  78   9.047   4.046   8.537
  487   1HB   SER  78          1HB       SER  78   9.879   3.896  11.081
  488   2HB   SER  78          2HB       SER  78  10.113   2.210  10.616
  489    HG   SER  78           HG       SER  78  11.109   3.505   8.640
  490    H    ILE  79           H        ILE  79   9.225   2.719   6.890
  491    HA   ILE  79           HA       ILE  79   8.248  -0.035   7.223
  492    HB   ILE  79           HB       ILE  79   7.528   2.003   5.328
  493   1HG1  ILE  79          1HG1      ILE  79   6.061   0.451   6.649
  494   2HG1  ILE  79          2HG1      ILE  79   5.659   0.567   4.941
  495   1HG2  ILE  79          1HG2      ILE  79   9.330   0.889   3.975
  496   2HG2  ILE  79          2HG2      ILE  79   8.347  -0.576   4.012
  497   3HG2  ILE  79          3HG2      ILE  79   7.724   0.885   3.247
  498   1HD1  ILE  79          1HD1      ILE  79   7.422  -1.626   5.943
  499   2HD1  ILE  79          2HD1      ILE  79   5.667  -1.740   6.077
  500   3HD1  ILE  79          3HD1      ILE  79   6.422  -1.574   4.492
  501    H    ASP  80           H        ASP  80   9.474  -1.688   6.575
  502    HA   ASP  80           HA       ASP  80  12.149  -1.060   5.527
  503   1HB   ASP  80          1HB       ASP  80  11.386  -2.601   7.713
  504   2HB   ASP  80          2HB       ASP  80  11.771  -3.791   6.473
  505    H    ARG  81           H        ARG  81  12.433  -1.424   3.439
  506    HA   ARG  81           HA       ARG  81  10.589  -2.958   1.886
  507   1HB   ARG  81          1HB       ARG  81  13.272  -2.032   0.902
  508   2HB   ARG  81          2HB       ARG  81  11.773  -2.213   0.002
  509   1HG   ARG  81          1HG       ARG  81  10.950  -0.347   1.680
  510   2HG   ARG  81          2HG       ARG  81  12.678  -0.001   1.762
  511   1HD   ARG  81          1HD       ARG  81  10.995  -0.100  -0.739
  512   2HD   ARG  81          2HD       ARG  81  11.602   1.355   0.050
  513    HE   ARG  81           HE       ARG  81  13.021  -0.315  -1.751
  514   1HH1  ARG  81          1HH1      ARG  81  13.429   1.642   1.106
  515   2HH1  ARG  81          2HH1      ARG  81  15.100   1.977   0.792
  516   1HH2  ARG  81          1HH2      ARG  81  15.217   0.123  -2.169
  517   2HH2  ARG  81          2HH2      ARG  81  16.115   1.115  -1.069
  518    H    SER  82           H        SER  82  13.106  -3.889   3.828
  519    HA   SER  82           HA       SER  82  14.285  -5.921   2.211
  520   1HB   SER  82          1HB       SER  82  15.184  -6.750   4.427
  521   2HB   SER  82          2HB       SER  82  15.582  -5.078   4.033
  522    HG   SER  82           HG       SER  82  14.315  -4.387   5.605
  523    H    THR  83           H        THR  83  11.219  -5.720   3.307
  524    HA   THR  83           HA       THR  83  10.972  -8.649   3.476
  525    HB   THR  83           HB       THR  83  10.661  -7.750   5.718
  526    HG1  THR  83           HG1      THR  83   9.007  -9.313   4.466
  527   1HG2  THR  83          1HG2      THR  83   9.484  -5.591   4.435
  528   2HG2  THR  83          2HG2      THR  83   8.142  -6.390   5.253
  529   3HG2  THR  83          3HG2      THR  83   9.551  -5.868   6.175
  530    H    LYS  84           H        LYS  84  10.622  -6.712   1.239
  531    HA   LYS  84           HA       LYS  84   7.953  -6.215   0.627
  532   1HB   LYS  84          1HB       LYS  84  10.458  -6.544  -0.931
  533   2HB   LYS  84          2HB       LYS  84   8.951  -6.674  -1.829
  534   1HG   LYS  84          1HG       LYS  84   8.569  -4.478  -1.725
  535   2HG   LYS  84          2HG       LYS  84   9.029  -4.384  -0.025
  536   1HD   LYS  84          1HD       LYS  84  10.712  -3.146  -0.947
  537   2HD   LYS  84          2HD       LYS  84  11.447  -4.748  -1.032
  538   1HE   LYS  84          1HE       LYS  84   9.830  -4.283  -3.356
  539   2HE   LYS  84          2HE       LYS  84  10.970  -2.955  -3.142
  540   1HZ   LYS  84          1HZ       LYS  84  12.623  -4.930  -2.751
  541   2HZ   LYS  84          2HZ       LYS  84  11.494  -5.788  -3.675
  542   3HZ   LYS  84          3HZ       LYS  84  12.244  -4.413  -4.316
  543    HA   PRO  85           HA       PRO  85   5.780  -9.948  -0.264
  544   1HB   PRO  85          1HB       PRO  85   5.548  -8.990  -3.089
  545   2HB   PRO  85          2HB       PRO  85   4.296  -9.620  -2.010
  546   1HG   PRO  85          1HG       PRO  85   4.484  -7.012  -2.447
  547   2HG   PRO  85          2HG       PRO  85   4.133  -7.628  -0.821
  548   1HD   PRO  85          1HD       PRO  85   6.663  -6.498  -1.915
  549   2HD   PRO  85          2HD       PRO  85   5.991  -6.384  -0.279
  550    H    ALA  86           H        ALA  86   7.253 -11.574  -0.153
  551    HA   ALA  86           HA       ALA  86   8.467 -12.406  -2.695
  552   1HB   ALA  86          1HB       ALA  86   9.844 -12.074  -0.052
  553   2HB   ALA  86          2HB       ALA  86  10.452 -13.198  -1.268
  554   3HB   ALA  86          3HB       ALA  86  10.328 -11.478  -1.640

  No H/Q in entry =         554
  Start of MODEL   16
    1    H1   GLY  16           H1       GLY  16 -15.405  -7.255   6.993
    2    H2   GLY  16           H2       GLY  16 -16.027  -7.086   8.556
    3    H3   GLY  16           H3       GLY  16 -14.899  -5.971   7.970
    4   1HA   GLY  16          1HA       GLY  16 -14.485  -8.724   8.903
    5   2HA   GLY  16          2HA       GLY  16 -13.571  -7.274   9.290
    6    H    ARG  17           H        ARG  17 -13.545  -6.558   6.366
    7    HA   ARG  17           HA       ARG  17 -11.402  -8.424   5.605
    8   1HB   ARG  17          1HB       ARG  17 -13.690  -7.387   4.000
    9   2HB   ARG  17          2HB       ARG  17 -12.158  -7.680   3.188
   10   1HG   ARG  17          1HG       ARG  17 -12.632  -9.832   3.056
   11   2HG   ARG  17          2HG       ARG  17 -12.713  -9.922   4.819
   12   1HD   ARG  17          1HD       ARG  17 -14.943 -10.030   4.810
   13   2HD   ARG  17          2HD       ARG  17 -15.081  -8.711   3.648
   14    HE   ARG  17           HE       ARG  17 -14.649 -11.538   2.930
   15   1HH1  ARG  17          1HH1      ARG  17 -15.857  -8.348   2.219
   16   2HH1  ARG  17          2HH1      ARG  17 -16.584  -8.819   0.719
   17   1HH2  ARG  17          1HH2      ARG  17 -15.602 -12.166   0.960
   18   2HH2  ARG  17          2HH2      ARG  17 -16.440 -10.990   0.003
   19    H    VAL  18           H        VAL  18  -9.656  -7.269   6.098
   20    HA   VAL  18           HA       VAL  18  -9.491  -4.458   5.314
   21    HB   VAL  18           HB       VAL  18  -7.191  -4.676   6.489
   22   1HG1  VAL  18          1HG1      VAL  18  -9.206  -3.496   7.354
   23   2HG1  VAL  18          2HG1      VAL  18  -9.680  -4.990   8.161
   24   3HG1  VAL  18          3HG1      VAL  18  -8.181  -4.179   8.615
   25   1HG2  VAL  18          1HG2      VAL  18  -7.430  -7.235   6.480
   26   2HG2  VAL  18          2HG2      VAL  18  -6.832  -6.463   7.949
   27   3HG2  VAL  18          3HG2      VAL  18  -8.510  -6.999   7.855
   28    H    ARG  19           H        ARG  19  -9.411  -4.906   3.024
   29    HA   ARG  19           HA       ARG  19  -6.720  -5.725   2.150
   30   1HB   ARG  19          1HB       ARG  19  -7.869  -6.551   0.033
   31   2HB   ARG  19          2HB       ARG  19  -8.093  -7.524   1.480
   32   1HG   ARG  19          1HG       ARG  19 -10.302  -6.755   1.776
   33   2HG   ARG  19          2HG       ARG  19 -10.086  -5.459   0.599
   34   1HD   ARG  19          1HD       ARG  19 -10.875  -6.808  -0.977
   35   2HD   ARG  19          2HD       ARG  19  -9.483  -7.861  -0.736
   36    HE   ARG  19           HE       ARG  19 -11.137  -8.666   1.215
   37   1HH1  ARG  19          1HH1      ARG  19 -11.654  -8.107  -2.185
   38   2HH1  ARG  19          2HH1      ARG  19 -12.890  -9.311  -2.326
   39   1HH2  ARG  19          1HH2      ARG  19 -12.765 -10.251   1.039
   40   2HH2  ARG  19          2HH2      ARG  19 -13.522 -10.531  -0.493
   41    H    TRP  20           H        TRP  20  -7.294  -3.087   2.698
   42    HA   TRP  20           HA       TRP  20  -7.161  -1.911   0.026
   43   1HB   TRP  20          1HB       TRP  20  -8.933  -0.921   2.269
   44   2HB   TRP  20          2HB       TRP  20  -8.592  -0.014   0.799
   45    HD1  TRP  20           HD1      TRP  20 -10.284  -3.292   1.927
   46    HE1  TRP  20           HE1      TRP  20 -12.034  -3.940   0.141
   47    HE3  TRP  20           HE3      TRP  20  -9.348   0.379  -1.507
   48    HZ2  TRP  20           HZ2      TRP  20 -12.884  -3.007  -2.391
   49    HZ3  TRP  20           HZ3      TRP  20 -10.676   0.435  -3.576
   50    HH2  TRP  20           HH2      TRP  20 -12.412  -1.224  -4.005
   51    H    ALA  21           H        ALA  21  -6.117   0.216   0.012
   52    HA   ALA  21           HA       ALA  21  -4.406   0.602   2.368
   53   1HB   ALA  21          2HB       ALA  21  -2.577   0.557   1.089
   54   2HB   ALA  21          1HB       ALA  21  -3.295   1.647  -0.097
   55   3HB   ALA  21          3HB       ALA  21  -3.596  -0.088  -0.197
   56    H    ARG  22           H        ARG  22  -5.341   2.308   3.365
   57    HA   ARG  22           HA       ARG  22  -6.052   4.614   1.692
   58   1HB   ARG  22          1HB       ARG  22  -7.977   4.203   2.879
   59   2HB   ARG  22          2HB       ARG  22  -7.117   3.574   4.278
   60   1HG   ARG  22          1HG       ARG  22  -6.347   6.185   4.294
   61   2HG   ARG  22          2HG       ARG  22  -7.986   6.298   3.652
   62   1HD   ARG  22          1HD       ARG  22  -8.061   4.462   5.793
   63   2HD   ARG  22          2HD       ARG  22  -7.133   5.856   6.343
   64    HE   ARG  22           HE       ARG  22  -9.796   6.176   5.129
   65   1HH1  ARG  22          1HH1      ARG  22  -7.555   6.679   7.748
   66   2HH1  ARG  22          2HH1      ARG  22  -8.601   7.761   8.606
   67   1HH2  ARG  22          1HH2      ARG  22 -11.182   7.597   6.254
   68   2HH2  ARG  22          2HH2      ARG  22 -10.662   8.282   7.757
   69    H    ALA  23           H        ALA  23  -4.453   5.933   1.521
   70    HA   ALA  23           HA       ALA  23  -2.360   6.123   3.458
   71   1HB   ALA  23          2HB       ALA  23  -1.990   8.237   1.747
   72   2HB   ALA  23          3HB       ALA  23  -1.344   6.610   1.537
   73   3HB   ALA  23          1HB       ALA  23  -2.856   7.066   0.753
   74    H    LEU  24           H        LEU  24  -2.081   7.501   5.049
   75    HA   LEU  24           HA       LEU  24  -4.017   9.692   5.392
   76   1HB   LEU  24          1HB       LEU  24  -2.167   8.841   7.574
   77   2HB   LEU  24          2HB       LEU  24  -3.795   9.480   7.684
   78    HG   LEU  24           HG       LEU  24  -3.244   6.713   6.641
   79   1HD1  LEU  24          1HD1      LEU  24  -3.548   7.653   9.475
   80   2HD1  LEU  24          2HD1      LEU  24  -3.955   6.009   8.983
   81   3HD1  LEU  24          3HD1      LEU  24  -2.307   6.607   8.786
   82   1HD2  LEU  24          1HD2      LEU  24  -5.505   8.209   6.567
   83   2HD2  LEU  24          2HD2      LEU  24  -5.473   6.446   6.608
   84   3HD2  LEU  24          3HD2      LEU  24  -5.708   7.358   8.099
   85    H    TYR  25           H        TYR  25  -0.883   8.844   4.634
   86    HA   TYR  25           HA       TYR  25   0.027  11.625   4.661
   87   1HB   TYR  25          1HB       TYR  25   1.952   9.423   5.356
   88   2HB   TYR  25          2HB       TYR  25   2.089  11.149   5.667
   89    HD1  TYR  25           HD1      TYR  25   0.518   8.011   6.791
   90    HD2  TYR  25           HD2      TYR  25   1.181  12.125   7.655
   91    HE1  TYR  25           HE1      TYR  25  -0.299   7.656   9.084
   92    HE2  TYR  25           HE2      TYR  25   0.365  11.781   9.948
   93    HH   TYR  25           HH       TYR  25  -0.165  10.218  11.501
   94    H    ASP  26           H        ASP  26   2.292  11.566   3.366
   95    HA   ASP  26           HA       ASP  26   1.712  10.961   0.729
   96   1HB   ASP  26          1HB       ASP  26   3.712  12.298   1.926
   97   2HB   ASP  26          2HB       ASP  26   4.570  10.815   1.523
   98    H    PHE  27           H        PHE  27   3.652   9.512  -0.464
   99    HA   PHE  27           HA       PHE  27   3.030   6.801   0.459
  100   1HB   PHE  27          1HB       PHE  27   3.421   6.064  -1.776
  101   2HB   PHE  27          2HB       PHE  27   2.425   7.513  -1.867
  102    HD1  PHE  27           HD1      PHE  27   3.449   9.666  -2.553
  103    HD2  PHE  27           HD2      PHE  27   5.560   5.975  -2.741
  104    HE1  PHE  27           HE1      PHE  27   5.078  10.687  -4.091
  105    HE2  PHE  27           HE2      PHE  27   7.196   6.992  -4.283
  106    HZ   PHE  27           HZ       PHE  27   6.955   9.347  -4.957
  107    H    GLU  28           H        GLU  28   4.569   5.215   0.706
  108    HA   GLU  28           HA       GLU  28   7.254   6.147   1.275
  109   1HB   GLU  28          1HB       GLU  28   5.929   4.922   2.979
  110   2HB   GLU  28          2HB       GLU  28   5.880   3.530   1.900
  111   1HG   GLU  28          1HG       GLU  28   7.674   2.856   3.005
  112   2HG   GLU  28          2HG       GLU  28   8.513   4.040   2.012
  113    H    ALA  29           H        ALA  29   5.785   4.988  -1.393
  114    HA   ALA  29           HA       ALA  29   7.439   2.798  -2.113
  115   1HB   ALA  29          3HB       ALA  29   6.591   3.929  -4.494
  116   2HB   ALA  29          2HB       ALA  29   5.768   2.667  -3.578
  117   3HB   ALA  29          1HB       ALA  29   5.329   4.358  -3.341
  118    H    LEU  30           H        LEU  30   9.581   3.092  -2.080
  119    HA   LEU  30           HA       LEU  30  10.728   5.459  -3.378
  120   1HB   LEU  30          1HB       LEU  30  12.187   3.357  -1.783
  121   2HB   LEU  30          2HB       LEU  30  12.774   4.943  -2.244
  122    HG   LEU  30           HG       LEU  30  10.446   4.535  -0.372
  123   1HD1  LEU  30          1HD1      LEU  30  13.385   4.603   0.146
  124   2HD1  LEU  30          2HD1      LEU  30  12.269   5.285   1.329
  125   3HD1  LEU  30          3HD1      LEU  30  12.138   3.586   0.869
  126   1HD2  LEU  30          1HD2      LEU  30  11.814   6.835  -1.546
  127   2HD2  LEU  30          2HD2      LEU  30  10.218   6.718  -0.805
  128   3HD2  LEU  30          3HD2      LEU  30  11.647   6.922   0.207
  129    H    GLU  31           H        GLU  31   9.955   2.275  -3.994
  130    HA   GLU  31           HA       GLU  31  12.108   1.965  -5.979
  131   1HB   GLU  31          1HB       GLU  31  10.752   0.130  -4.229
  132   2HB   GLU  31          2HB       GLU  31  10.541  -0.378  -5.899
  133   1HG   GLU  31          1HG       GLU  31  13.231   0.303  -5.696
  134   2HG   GLU  31          2HG       GLU  31  12.860  -0.548  -4.198
  135    H    GLU  32           H        GLU  32  11.439   0.864  -8.049
  136    HA   GLU  32           HA       GLU  32   9.224   2.347  -9.182
  137   1HB   GLU  32          1HB       GLU  32  10.020   1.318 -11.335
  138   2HB   GLU  32          2HB       GLU  32  11.208   2.310 -10.501
  139   1HG   GLU  32          1HG       GLU  32  11.823  -0.089  -9.473
  140   2HG   GLU  32          2HG       GLU  32  11.195  -0.584 -11.045
  141    H    ASP  33           H        ASP  33   9.982  -0.935  -8.274
  142    HA   ASP  33           HA       ASP  33   7.778  -2.129  -9.672
  143   1HB   ASP  33          1HB       ASP  33   9.982  -3.028  -7.988
  144   2HB   ASP  33          2HB       ASP  33   8.478  -3.874  -7.622
  145    H    GLU  34           H        GLU  34   7.765  -0.013  -7.249
  146    HA   GLU  34           HA       GLU  34   5.581  -1.300  -5.767
  147   1HB   GLU  34          1HB       GLU  34   7.309   1.070  -5.035
  148   2HB   GLU  34          2HB       GLU  34   6.008   0.425  -4.042
  149   1HG   GLU  34          1HG       GLU  34   7.178  -1.545  -3.586
  150   2HG   GLU  34          2HG       GLU  34   8.311  -1.282  -4.909
  151    H    LEU  35           H        LEU  35   4.266   0.795  -4.726
  152    HA   LEU  35           HA       LEU  35   3.424   2.473  -6.979
  153   1HB   LEU  35          1HB       LEU  35   1.809   0.759  -7.028
  154   2HB   LEU  35          2HB       LEU  35   1.705   0.689  -5.280
  155    HG   LEU  35           HG       LEU  35   0.738   3.073  -5.437
  156   1HD1  LEU  35          1HD1      LEU  35   1.286   2.628  -8.152
  157   2HD1  LEU  35          2HD1      LEU  35  -0.470   2.581  -7.986
  158   3HD1  LEU  35          3HD1      LEU  35   0.431   3.991  -7.430
  159   1HD2  LEU  35          1HD2      LEU  35  -0.394   0.599  -5.286
  160   2HD2  LEU  35          2HD2      LEU  35  -1.265   2.123  -5.121
  161   3HD2  LEU  35          3HD2      LEU  35  -1.227   1.294  -6.677
  162    H    GLY  36           H        GLY  36   2.835   4.534  -6.435
  163   1HA   GLY  36          1HA       GLY  36   3.608   6.252  -4.866
  164   2HA   GLY  36          2HA       GLY  36   3.052   5.206  -3.572
  165    H    PHE  37           H        PHE  37   1.499   6.286  -2.595
  166    HA   PHE  37           HA       PHE  37  -0.719   7.349  -4.220
  167   1HB   PHE  37          1HB       PHE  37  -1.753   7.048  -1.695
  168   2HB   PHE  37          2HB       PHE  37  -1.967   5.904  -3.016
  169    HD1  PHE  37           HD1      PHE  37  -1.576   3.708  -2.513
  170    HD2  PHE  37           HD2      PHE  37   0.599   6.710  -0.424
  171    HE1  PHE  37           HE1      PHE  37  -0.473   1.969  -1.169
  172    HE2  PHE  37           HE2      PHE  37   1.708   4.977   0.921
  173    HZ   PHE  37           HZ       PHE  37   1.172   2.603   0.550
  174    H    ARG  38           H        ARG  38  -2.068   8.859  -2.512
  175    HA   ARG  38           HA       ARG  38  -0.124  10.728  -1.338
  176   1HB   ARG  38          1HB       ARG  38  -2.595  11.664  -2.779
  177   2HB   ARG  38          2HB       ARG  38  -1.212  12.615  -2.251
  178   1HG   ARG  38          1HG       ARG  38   0.038  10.944  -3.915
  179   2HG   ARG  38          2HG       ARG  38  -1.560  10.948  -4.660
  180   1HD   ARG  38          1HD       ARG  38  -1.308  13.561  -4.319
  181   2HD   ARG  38          2HD       ARG  38   0.407  13.155  -4.359
  182    HE   ARG  38           HE       ARG  38  -0.344  11.944  -6.549
  183   1HH1  ARG  38          1HH1      ARG  38  -1.428  15.028  -5.345
  184   2HH1  ARG  38          2HH1      ARG  38  -1.746  15.678  -6.919
  185   1HH2  ARG  38          1HH2      ARG  38  -0.760  12.790  -8.627
  186   2HH2  ARG  38          2HH2      ARG  38  -1.366  14.404  -8.785
  187    H    SER  39           H        SER  39  -1.155  12.276   0.199
  188    HA   SER  39           HA       SER  39  -2.391  11.008   2.290
  189   1HB   SER  39          1HB       SER  39  -1.353  13.125   2.665
  190   2HB   SER  39          2HB       SER  39  -2.418  13.925   1.510
  191    HG   SER  39           HG       SER  39  -2.783  13.681   4.088
  192    H    GLY  40           H        GLY  40  -4.419  10.556   2.926
  193   1HA   GLY  40          1HA       GLY  40  -6.782  11.760   2.051
  194   2HA   GLY  40          2HA       GLY  40  -6.673  10.171   2.790
  195    H    GLU  41           H        GLU  41  -5.718   8.460   1.173
  196    HA   GLU  41           HA       GLU  41  -7.386   8.655  -1.221
  197   1HB   GLU  41          1HB       GLU  41  -4.432   8.089  -1.194
  198   2HB   GLU  41          2HB       GLU  41  -5.464   7.572  -2.521
  199   1HG   GLU  41          1HG       GLU  41  -6.144  10.200  -2.268
  200   2HG   GLU  41          2HG       GLU  41  -4.430  10.221  -1.859
  201    H    VAL  42           H        VAL  42  -8.341   6.803  -1.845
  202    HA   VAL  42           HA       VAL  42  -7.964   4.479  -0.108
  203    HB   VAL  42           HB       VAL  42 -10.115   4.757  -2.195
  204   1HG1  VAL  42          1HG1      VAL  42  -9.880   3.213   0.384
  205   2HG1  VAL  42          2HG1      VAL  42 -11.347   3.308  -0.591
  206   3HG1  VAL  42          3HG1      VAL  42  -9.894   2.561  -1.255
  207   1HG2  VAL  42          1HG2      VAL  42  -9.844   6.189   0.375
  208   2HG2  VAL  42          2HG2      VAL  42 -10.720   6.637  -1.088
  209   3HG2  VAL  42          3HG2      VAL  42 -11.419   5.470   0.037
  210    H    VAL  43           H        VAL  43  -7.140   2.592  -0.791
  211    HA   VAL  43           HA       VAL  43  -6.702   2.206  -3.678
  212    HB   VAL  43           HB       VAL  43  -4.711   1.534  -1.507
  213   1HG1  VAL  43          1HG1      VAL  43  -4.835   0.996  -4.429
  214   2HG1  VAL  43          2HG1      VAL  43  -3.266   1.336  -3.698
  215   3HG1  VAL  43          3HG1      VAL  43  -4.235  -0.018  -3.117
  216   1HG2  VAL  43          1HG2      VAL  43  -5.095   3.920  -3.184
  217   2HG2  VAL  43          2HG2      VAL  43  -4.292   3.743  -1.624
  218   3HG2  VAL  43          3HG2      VAL  43  -3.444   3.303  -3.106
  219    H    GLU  44           H        GLU  44  -6.871   0.094  -4.434
  220    HA   GLU  44           HA       GLU  44  -8.164  -1.772  -2.583
  221   1HB   GLU  44          1HB       GLU  44  -9.247  -1.292  -4.757
  222   2HB   GLU  44          2HB       GLU  44  -7.843  -1.943  -5.586
  223   1HG   GLU  44          1HG       GLU  44  -8.259  -4.130  -4.715
  224   2HG   GLU  44          2HG       GLU  44  -9.547  -3.520  -3.678
  225    H    VAL  45           H        VAL  45  -6.967  -3.282  -1.611
  226    HA   VAL  45           HA       VAL  45  -4.288  -3.842  -2.499
  227    HB   VAL  45           HB       VAL  45  -5.913  -4.937  -0.208
  228   1HG1  VAL  45          1HG1      VAL  45  -3.247  -5.760  -1.255
  229   2HG1  VAL  45          2HG1      VAL  45  -3.519  -5.756   0.488
  230   3HG1  VAL  45          3HG1      VAL  45  -4.537  -6.742  -0.562
  231   1HG2  VAL  45          1HG2      VAL  45  -4.146  -2.671  -0.589
  232   2HG2  VAL  45          2HG2      VAL  45  -5.248  -3.031   0.739
  233   3HG2  VAL  45          3HG2      VAL  45  -3.620  -3.707   0.737
  234    H    LEU  46           H        LEU  46  -3.562  -5.554  -3.592
  235    HA   LEU  46           HA       LEU  46  -5.539  -7.410  -4.660
  236   1HB   LEU  46          1HB       LEU  46  -2.941  -6.343  -5.525
  237   2HB   LEU  46          2HB       LEU  46  -3.199  -8.038  -5.904
  238    HG   LEU  46           HG       LEU  46  -5.283  -7.439  -7.080
  239   1HD1  LEU  46          1HD1      LEU  46  -4.457  -4.642  -6.354
  240   2HD1  LEU  46          2HD1      LEU  46  -5.615  -5.016  -7.631
  241   3HD1  LEU  46          3HD1      LEU  46  -5.968  -5.463  -5.962
  242   1HD2  LEU  46          1HD2      LEU  46  -3.080  -7.593  -8.239
  243   2HD2  LEU  46          2HD2      LEU  46  -4.245  -6.535  -9.035
  244   3HD2  LEU  46          3HD2      LEU  46  -2.935  -5.841  -8.081
  245    H    ASP  47           H        ASP  47  -2.920  -7.324  -2.414
  246    HA   ASP  47           HA       ASP  47  -3.463 -10.004  -1.577
  247   1HB   ASP  47          1HB       ASP  47  -1.522  -9.718  -3.585
  248   2HB   ASP  47          2HB       ASP  47  -0.620  -9.964  -2.093
  249    H    SER  48           H        SER  48  -3.820  -9.106   0.428
  250    HA   SER  48           HA       SER  48  -1.854  -7.455   1.745
  251   1HB   SER  48          1HB       SER  48  -3.621  -8.492   3.671
  252   2HB   SER  48          2HB       SER  48  -3.692  -6.904   2.909
  253    HG   SER  48           HG       SER  48  -4.807  -9.206   1.702
  254    H    SER  49           H        SER  49  -1.752 -10.612   0.971
  255    HA   SER  49           HA       SER  49  -0.883 -11.645   3.505
  256   1HB   SER  49          1HB       SER  49  -0.155 -12.839   0.833
  257   2HB   SER  49          2HB       SER  49  -0.426 -13.663   2.369
  258    HG   SER  49           HG       SER  49  -2.546 -13.559   2.076
  259    H    ASN  50           H        ASN  50   0.852 -10.958   4.394
  260    HA   ASN  50           HA       ASN  50   3.445 -11.239   3.752
  261   1HB   ASN  50          1HB       ASN  50   2.265  -9.008   2.273
  262   2HB   ASN  50          2HB       ASN  50   3.690  -8.543   3.196
  263   1HD2  ASN  50          1HD2      ASN  50   2.914  -9.091   0.262
  264   2HD2  ASN  50          2HD2      ASN  50   4.247 -10.012  -0.327
  265    HA   PRO  51           HA       PRO  51   3.429  -9.272   7.712
  266   1HB   PRO  51          1HB       PRO  51   6.031  -9.214   8.305
  267   2HB   PRO  51          2HB       PRO  51   5.180 -10.743   8.061
  268   1HG   PRO  51          1HG       PRO  51   7.056  -9.309   6.251
  269   2HG   PRO  51          2HG       PRO  51   6.810 -11.049   6.465
  270   1HD   PRO  51          1HD       PRO  51   5.723  -9.423   4.423
  271   2HD   PRO  51          2HD       PRO  51   5.282 -11.102   4.791
  272    H    SER  52           H        SER  52   4.194  -7.415   5.106
  273    HA   SER  52           HA       SER  52   4.052  -5.005   6.585
  274   1HB   SER  52          1HB       SER  52   6.684  -6.087   6.262
  275   2HB   SER  52          2HB       SER  52   6.559  -4.588   5.342
  276    HG   SER  52           HG       SER  52   5.976  -3.512   7.193
  277    H    TRP  53           H        TRP  53   5.594  -6.132   3.559
  278    HA   TRP  53           HA       TRP  53   4.290  -3.924   2.155
  279   1HB   TRP  53          1HB       TRP  53   6.590  -5.736   1.544
  280   2HB   TRP  53          2HB       TRP  53   5.755  -4.931   0.223
  281    HD1  TRP  53           HD1      TRP  53   7.936  -4.168   3.285
  282    HE1  TRP  53           HE1      TRP  53   8.922  -1.805   3.012
  283    HE3  TRP  53           HE3      TRP  53   5.380  -2.698  -0.890
  284    HZ2  TRP  53           HZ2      TRP  53   8.649   0.392   1.259
  285    HZ3  TRP  53           HZ3      TRP  53   5.799  -0.452  -1.800
  286    HH2  TRP  53           HH2      TRP  53   7.400   1.060  -0.748
  287    H    TRP  54           H        TRP  54   2.351  -4.283   1.297
  288    HA   TRP  54           HA       TRP  54   1.728  -6.984   0.308
  289   1HB   TRP  54          1HB       TRP  54  -0.258  -4.775   0.868
  290   2HB   TRP  54          2HB       TRP  54  -0.596  -6.469   0.539
  291    HD1  TRP  54           HD1      TRP  54   1.733  -7.458   2.691
  292    HE1  TRP  54           HE1      TRP  54   1.053  -7.473   5.165
  293    HE3  TRP  54           HE3      TRP  54  -2.190  -4.201   2.462
  294    HZ2  TRP  54           HZ2      TRP  54  -0.880  -6.242   6.818
  295    HZ3  TRP  54           HZ3      TRP  54  -3.401  -3.665   4.536
  296    HH2  TRP  54           HH2      TRP  54  -2.758  -4.665   6.668
  297    H    THR  55           H        THR  55   0.787  -7.248  -1.744
  298    HA   THR  55           HA       THR  55   1.524  -5.167  -3.645
  299    HB   THR  55           HB       THR  55   0.295  -7.715  -4.566
  300    HG1  THR  55           HG1      THR  55   1.817  -8.215  -2.799
  301   1HG2  THR  55          1HG2      THR  55   1.636  -5.611  -5.757
  302   2HG2  THR  55          2HG2      THR  55   2.856  -6.882  -5.672
  303   3HG2  THR  55          3HG2      THR  55   1.320  -7.186  -6.485
  304    H    GLY  56           H        GLY  56   0.096  -3.739  -4.374
  305   1HA   GLY  56          1HA       GLY  56  -2.442  -3.275  -3.722
  306   2HA   GLY  56          2HA       GLY  56  -2.652  -4.557  -4.906
  307    H    ARG  57           H        ARG  57  -3.801  -2.106  -5.392
  308    HA   ARG  57           HA       ARG  57  -2.012  -0.586  -7.104
  309   1HB   ARG  57          1HB       ARG  57  -3.552  -0.820  -9.075
  310   2HB   ARG  57          2HB       ARG  57  -2.643  -2.272  -8.663
  311   1HG   ARG  57          1HG       ARG  57  -4.512  -3.385  -7.902
  312   2HG   ARG  57          2HG       ARG  57  -5.394  -1.893  -7.570
  313   1HD   ARG  57          1HD       ARG  57  -6.155  -1.716  -9.687
  314   2HD   ARG  57          2HD       ARG  57  -4.661  -2.337 -10.386
  315    HE   ARG  57           HE       ARG  57  -5.744  -4.529  -9.251
  316   1HH1  ARG  57          1HH1      ARG  57  -7.016  -2.114 -11.419
  317   2HH1  ARG  57          2HH1      ARG  57  -8.126  -3.201 -12.185
  318   1HH2  ARG  57          1HH2      ARG  57  -7.203  -5.966 -10.255
  319   2HH2  ARG  57          2HH2      ARG  57  -8.232  -5.391 -11.523
  320    H    LEU  58           H        LEU  58  -2.590   1.490  -7.362
  321    HA   LEU  58           HA       LEU  58  -5.042   2.379  -6.019
  322   1HB   LEU  58          1HB       LEU  58  -3.078   3.439  -5.160
  323   2HB   LEU  58          2HB       LEU  58  -2.484   3.790  -6.772
  324    HG   LEU  58           HG       LEU  58  -5.084   5.015  -6.069
  325   1HD1  LEU  58          1HD1      LEU  58  -3.601   5.154  -3.996
  326   2HD1  LEU  58          2HD1      LEU  58  -2.578   6.223  -4.955
  327   3HD1  LEU  58          3HD1      LEU  58  -4.256   6.661  -4.636
  328   1HD2  LEU  58          1HD2      LEU  58  -2.783   5.488  -7.806
  329   2HD2  LEU  58          2HD2      LEU  58  -4.472   5.953  -8.007
  330   3HD2  LEU  58          3HD2      LEU  58  -3.396   6.945  -7.022
  331    H    HIS  59           H        HIS  59  -6.731   2.705  -7.306
  332    HA   HIS  59           HA       HIS  59  -8.025   3.354  -9.056
  333   1HB   HIS  59          1HB       HIS  59  -5.597   5.058  -9.471
  334   2HB   HIS  59          2HB       HIS  59  -6.837   5.008 -10.720
  335    HD1  HIS  59           HD1      HIS  59  -9.123   6.086 -10.165
  336    HD2  HIS  59           HD2      HIS  59  -6.312   6.391  -7.119
  337    HE1  HIS  59           HE1      HIS  59 -10.063   7.769  -8.549
  338    HE2  HIS  59           HE2      HIS  59  -8.354   7.923  -6.704
  339    H    ASN  60           H        ASN  60  -5.046   3.555 -10.945
  340    HA   ASN  60           HA       ASN  60  -5.736   1.005 -12.232
  341   1HB   ASN  60          1HB       ASN  60  -5.476   3.692 -13.490
  342   2HB   ASN  60          2HB       ASN  60  -4.846   2.312 -14.385
  343   1HD2  ASN  60          1HD2      ASN  60  -6.371   2.422 -15.989
  344   2HD2  ASN  60          2HD2      ASN  60  -8.033   2.027 -15.737
  345    H    LYS  61           H        LYS  61  -3.424   2.739 -10.646
  346    HA   LYS  61           HA       LYS  61  -1.170   1.630 -12.140
  347   1HB   LYS  61          1HB       LYS  61  -1.190   3.467  -9.735
  348   2HB   LYS  61          2HB       LYS  61   0.230   2.995 -10.657
  349   1HG   LYS  61          1HG       LYS  61  -0.757   4.093 -12.649
  350   2HG   LYS  61          2HG       LYS  61  -2.084   4.656 -11.630
  351   1HD   LYS  61          1HD       LYS  61  -0.635   6.472 -11.646
  352   2HD   LYS  61          2HD       LYS  61  -0.215   5.647 -10.144
  353   1HE   LYS  61          1HE       LYS  61   1.422   4.423 -11.967
  354   2HE   LYS  61          2HE       LYS  61   1.372   6.083 -12.561
  355   1HZ   LYS  61          1HZ       LYS  61   1.809   6.629 -10.068
  356   2HZ   LYS  61          2HZ       LYS  61   2.415   5.052 -10.019
  357   3HZ   LYS  61          3HZ       LYS  61   3.090   6.186 -11.078
  358    H    LEU  62           H        LEU  62  -0.092  -0.138 -11.483
  359    HA   LEU  62           HA       LEU  62  -0.905  -1.341  -8.930
  360   1HB   LEU  62          1HB       LEU  62   0.736  -2.914 -10.809
  361   2HB   LEU  62          2HB       LEU  62  -0.663  -3.390  -9.865
  362    HG   LEU  62           HG       LEU  62  -1.212  -1.543 -12.103
  363   1HD1  LEU  62          1HD1      LEU  62   0.469  -3.733 -12.583
  364   2HD1  LEU  62          2HD1      LEU  62  -1.133  -4.219 -13.135
  365   3HD1  LEU  62          3HD1      LEU  62  -0.389  -2.752 -13.771
  366   1HD2  LEU  62          1HD2      LEU  62  -2.716  -3.027 -10.412
  367   2HD2  LEU  62          2HD2      LEU  62  -3.257  -2.468 -11.994
  368   3HD2  LEU  62          3HD2      LEU  62  -2.623  -4.102 -11.806
  369    H    GLY  63           H        GLY  63   0.706  -2.428  -7.627
  370   1HA   GLY  63          1HA       GLY  63   3.111  -0.827  -7.435
  371   2HA   GLY  63          2HA       GLY  63   3.383  -2.523  -7.804
  372    H    LEU  64           H        LEU  64   4.597  -2.422  -5.762
  373    HA   LEU  64           HA       LEU  64   2.980  -3.410  -3.596
  374   1HB   LEU  64          1HB       LEU  64   5.820  -2.839  -3.071
  375   2HB   LEU  64          2HB       LEU  64   4.895  -4.297  -2.780
  376    HG   LEU  64           HG       LEU  64   5.680  -3.573  -5.574
  377   1HD1  LEU  64          1HD1      LEU  64   7.450  -4.504  -3.388
  378   2HD1  LEU  64          2HD1      LEU  64   7.632  -5.262  -4.971
  379   3HD1  LEU  64          3HD1      LEU  64   7.815  -3.516  -4.803
  380   1HD2  LEU  64          1HD2      LEU  64   4.419  -5.774  -4.233
  381   2HD2  LEU  64          2HD2      LEU  64   4.630  -5.489  -5.961
  382   3HD2  LEU  64          3HD2      LEU  64   5.889  -6.315  -5.043
  383    H    PHE  65           H        PHE  65   2.636  -2.452  -1.593
  384    HA   PHE  65           HA       PHE  65   3.630   0.293  -1.264
  385   1HB   PHE  65          1HB       PHE  65   1.549   1.211  -0.878
  386   2HB   PHE  65          2HB       PHE  65   1.145   0.004  -2.098
  387    HD1  PHE  65           HD1      PHE  65   1.011   0.845   1.465
  388    HD2  PHE  65           HD2      PHE  65  -0.243  -1.864  -1.561
  389    HE1  PHE  65           HE1      PHE  65  -0.599  -0.127   3.026
  390    HE2  PHE  65           HE2      PHE  65  -1.874  -2.852  -0.012
  391    HZ   PHE  65           HZ       PHE  65  -2.056  -1.989   2.297
  392    HA   PRO  66           HA       PRO  66   4.393  -0.934   2.927
  393   1HB   PRO  66          1HB       PRO  66   4.474   1.386   4.201
  394   2HB   PRO  66          2HB       PRO  66   5.603   1.068   2.874
  395   1HG   PRO  66          1HG       PRO  66   3.016   2.596   2.821
  396   2HG   PRO  66          2HG       PRO  66   4.594   3.075   2.179
  397   1HD   PRO  66          1HD       PRO  66   2.635   1.980   0.637
  398   2HD   PRO  66          2HD       PRO  66   4.363   1.789   0.294
  399    H    ALA  67           H        ALA  67   2.910  -2.051   4.104
  400    HA   ALA  67           HA       ALA  67   0.256  -1.097   4.556
  401   1HB   ALA  67          2HB       ALA  67   1.710  -3.545   4.992
  402   2HB   ALA  67          1HB       ALA  67   0.738  -3.131   6.404
  403   3HB   ALA  67          3HB       ALA  67  -0.026  -3.284   4.821
  404    H    ASN  68           H        ASN  68   3.206  -0.401   5.994
  405    HA   ASN  68           HA       ASN  68   2.154   0.087   8.651
  406   1HB   ASN  68          1HB       ASN  68   4.298  -0.197   9.217
  407   2HB   ASN  68          2HB       ASN  68   4.746  -0.300   7.519
  408   1HD2  ASN  68          1HD2      ASN  68   5.068   1.798   6.402
  409   2HD2  ASN  68          2HD2      ASN  68   5.810   3.077   7.295
  410    H    TYR  69           H        TYR  69   2.931   1.868   5.744
  411    HA   TYR  69           HA       TYR  69   2.751   4.456   6.957
  412   1HB   TYR  69          1HB       TYR  69   3.652   3.472   4.516
  413   2HB   TYR  69          2HB       TYR  69   2.227   4.417   4.096
  414    HD1  TYR  69           HD1      TYR  69   2.234   6.802   4.257
  415    HD2  TYR  69           HD2      TYR  69   5.574   4.557   5.635
  416    HE1  TYR  69           HE1      TYR  69   3.554   8.871   4.407
  417    HE2  TYR  69           HE2      TYR  69   6.904   6.619   5.789
  418    HH   TYR  69           HH       TYR  69   6.923   8.877   4.816
  419    H    VAL  70           H        VAL  70   0.573   2.450   4.990
  420    HA   VAL  70           HA       VAL  70  -1.635   4.201   5.870
  421    HB   VAL  70           HB       VAL  70  -2.625   4.208   3.807
  422   1HG1  VAL  70          1HG1      VAL  70  -0.466   5.327   3.613
  423   2HG1  VAL  70          2HG1      VAL  70   0.278   3.816   3.093
  424   3HG1  VAL  70          3HG1      VAL  70  -0.941   4.591   2.082
  425   1HG2  VAL  70          1HG2      VAL  70  -1.194   1.620   3.236
  426   2HG2  VAL  70          2HG2      VAL  70  -2.925   1.874   3.461
  427   3HG2  VAL  70          3HG2      VAL  70  -2.120   2.506   2.024
  428    H    ALA  71           H        ALA  71  -3.694   3.186   6.191
  429    HA   ALA  71           HA       ALA  71  -3.505   0.283   6.703
  430   1HB   ALA  71          1HB       ALA  71  -4.632   2.485   8.368
  431   2HB   ALA  71          3HB       ALA  71  -3.617   1.122   8.841
  432   3HB   ALA  71          2HB       ALA  71  -5.326   0.868   8.484
  433    HA   PRO  72           HA       PRO  72  -6.937  -0.469   4.060
  434   1HB   PRO  72          1HB       PRO  72  -8.045  -2.185   6.216
  435   2HB   PRO  72          2HB       PRO  72  -7.708  -2.571   4.524
  436   1HG   PRO  72          1HG       PRO  72  -6.107  -3.461   6.417
  437   2HG   PRO  72          2HG       PRO  72  -5.429  -2.835   4.904
  438   1HD   PRO  72          1HD       PRO  72  -5.606  -1.499   7.587
  439   2HD   PRO  72          2HD       PRO  72  -4.264  -1.508   6.423
  440    H    MET  73           H        MET  73  -9.398  -0.784   4.161
  441    HA   MET  73           HA       MET  73 -10.759   0.842   6.128
  442   1HB   MET  73          1HB       MET  73  -9.715   2.286   4.213
  443   2HB   MET  73          2HB       MET  73 -11.050   1.655   3.261
  444   1HG   MET  73          1HG       MET  73 -12.223   2.525   5.627
  445   2HG   MET  73          2HG       MET  73 -11.028   3.759   5.232
  446   1HE   MET  73          1HE       MET  73 -13.807   1.567   4.072
  447   2HE   MET  73          2HE       MET  73 -14.731   2.516   2.907
  448   3HE   MET  73          3HE       MET  73 -13.277   1.661   2.393
  449    H    MET  74           H        MET  74 -12.604  -0.207   6.541
  450    HA   MET  74           HA       MET  74 -13.627  -2.142   4.642
  451   1HB   MET  74          1HB       MET  74 -13.542  -2.789   6.970
  452   2HB   MET  74          2HB       MET  74 -14.508  -1.395   7.434
  453   1HG   MET  74          1HG       MET  74 -15.970  -2.837   5.490
  454   2HG   MET  74          2HG       MET  74 -15.368  -3.993   6.677
  455   1HE   MET  74          1HE       MET  74 -17.530  -4.751   7.669
  456   2HE   MET  74          2HE       MET  74 -18.854  -3.709   8.195
  457   3HE   MET  74          3HE       MET  74 -18.456  -3.836   6.480
  458    H    ARG  75           H        ARG  75 -14.861  -1.431   3.038
  459    HA   ARG  75           HA       ARG  75 -16.338   0.997   3.142
  460   1HB   ARG  75          1HB       ARG  75 -17.307   0.141   0.958
  461   2HB   ARG  75          2HB       ARG  75 -15.560   0.336   1.010
  462   1HG   ARG  75          1HG       ARG  75 -16.018  -2.279   1.843
  463   2HG   ARG  75          2HG       ARG  75 -17.130  -2.018   0.498
  464   1HD   ARG  75          1HD       ARG  75 -14.228  -1.256   0.342
  465   2HD   ARG  75          2HD       ARG  75 -14.788  -2.879  -0.055
  466    HE   ARG  75           HE       ARG  75 -15.615  -0.431  -1.475
  467   1HH1  ARG  75          1HH1      ARG  75 -15.008  -3.862  -1.383
  468   2HH1  ARG  75          2HH1      ARG  75 -15.314  -4.091  -3.072
  469   1HH2  ARG  75          1HH2      ARG  75 -16.016  -0.723  -3.699
  470   2HH2  ARG  75          2HH2      ARG  75 -15.886  -2.306  -4.388
  471    H1   ALA  76           H1       ALA  76   7.011   9.038  11.974
  472    H2   ALA  76           H2       ALA  76   7.135  10.504  11.138
  473    H3   ALA  76           H3       ALA  76   5.696  10.104  11.933
  474    HA   ALA  76           HA       ALA  76   4.933   9.226  10.083
  475   1HB   ALA  76          2HB       ALA  76   7.129   8.898   8.344
  476   2HB   ALA  76          3HB       ALA  76   5.898  10.161   8.320
  477   3HB   ALA  76          1HB       ALA  76   7.389  10.400   9.232
  478    HA   PRO  77           HA       PRO  77   5.376   4.879  10.646
  479   1HB   PRO  77          1HB       PRO  77   4.517   4.694   7.803
  480   2HB   PRO  77          2HB       PRO  77   3.841   3.915   9.238
  481   1HG   PRO  77          1HG       PRO  77   2.594   5.971   8.100
  482   2HG   PRO  77          2HG       PRO  77   2.652   5.807   9.866
  483   1HD   PRO  77          1HD       PRO  77   4.215   7.618   8.076
  484   2HD   PRO  77          2HD       PRO  77   3.547   7.928   9.692
  485    H    SER  78           H        SER  78   7.108   3.618  10.527
  486    HA   SER  78           HA       SER  78   9.029   4.057   8.354
  487   1HB   SER  78          1HB       SER  78   9.388   3.945  11.100
  488   2HB   SER  78          2HB       SER  78   9.940   2.365  10.542
  489    HG   SER  78           HG       SER  78  11.444   4.320  10.564
  490    H    ILE  79           H        ILE  79   9.045   2.697   6.765
  491    HA   ILE  79           HA       ILE  79   8.272  -0.091   7.284
  492    HB   ILE  79           HB       ILE  79   7.243   1.764   5.409
  493   1HG1  ILE  79          1HG1      ILE  79   6.211  -0.179   6.764
  494   2HG1  ILE  79          2HG1      ILE  79   5.559   0.183   5.174
  495   1HG2  ILE  79          1HG2      ILE  79   9.114   1.071   3.943
  496   2HG2  ILE  79          2HG2      ILE  79   8.515  -0.586   4.019
  497   3HG2  ILE  79          3HG2      ILE  79   7.525   0.677   3.288
  498   1HD1  ILE  79          1HD1      ILE  79   7.500  -2.023   5.826
  499   2HD1  ILE  79          2HD1      ILE  79   5.772  -2.211   5.529
  500   3HD1  ILE  79          3HD1      ILE  79   6.837  -1.672   4.230
  501    H    ASP  80           H        ASP  80   9.513  -1.721   6.506
  502    HA   ASP  80           HA       ASP  80  12.160  -0.963   5.481
  503   1HB   ASP  80          1HB       ASP  80  11.234  -2.926   7.410
  504   2HB   ASP  80          2HB       ASP  80  12.230  -3.671   6.165
  505    H    ARG  81           H        ARG  81  12.663  -1.400   3.438
  506    HA   ARG  81           HA       ARG  81  10.808  -2.782   1.742
  507   1HB   ARG  81          1HB       ARG  81  13.581  -1.853   1.005
  508   2HB   ARG  81          2HB       ARG  81  12.216  -2.124  -0.069
  509   1HG   ARG  81          1HG       ARG  81  11.208  -0.256   1.637
  510   2HG   ARG  81          2HG       ARG  81  12.907   0.213   1.545
  511   1HD   ARG  81          1HD       ARG  81  11.112  -0.262  -0.830
  512   2HD   ARG  81          2HD       ARG  81  11.495   1.321  -0.158
  513    HE   ARG  81           HE       ARG  81  13.109  -0.209  -1.917
  514   1HH1  ARG  81          1HH1      ARG  81  13.296   1.952   0.812
  515   2HH1  ARG  81          2HH1      ARG  81  14.882   2.524   0.414
  516   1HH2  ARG  81          1HH2      ARG  81  15.196   0.538  -2.447
  517   2HH2  ARG  81          2HH2      ARG  81  15.961   1.720  -1.438
  518    H    SER  82           H        SER  82  13.189  -3.868   3.778
  519    HA   SER  82           HA       SER  82  14.310  -5.938   2.142
  520   1HB   SER  82          1HB       SER  82  14.555  -6.541   4.932
  521   2HB   SER  82          2HB       SER  82  15.803  -6.011   3.805
  522    HG   SER  82           HG       SER  82  15.785  -4.198   4.844
  523    H    THR  83           H        THR  83  11.259  -5.608   3.184
  524    HA   THR  83           HA       THR  83  10.909  -8.519   3.449
  525    HB   THR  83           HB       THR  83  10.580  -7.524   5.648
  526    HG1  THR  83           HG1      THR  83   9.076  -9.209   4.647
  527   1HG2  THR  83          1HG2      THR  83   8.465  -5.848   4.295
  528   2HG2  THR  83          2HG2      THR  83   8.714  -5.955   6.037
  529   3HG2  THR  83          3HG2      THR  83   9.970  -5.266   5.007
  530    H    LYS  84           H        LYS  84  10.670  -6.658   1.133
  531    HA   LYS  84           HA       LYS  84   7.993  -6.160   0.471
  532   1HB   LYS  84          1HB       LYS  84  10.544  -6.424  -1.023
  533   2HB   LYS  84          2HB       LYS  84   9.067  -6.595  -1.961
  534   1HG   LYS  84          1HG       LYS  84   8.617  -4.410  -1.867
  535   2HG   LYS  84          2HG       LYS  84   9.051  -4.297  -0.160
  536   1HD   LYS  84          1HD       LYS  84  10.572  -2.934  -1.421
  537   2HD   LYS  84          2HD       LYS  84  11.448  -4.347  -0.832
  538   1HE   LYS  84          1HE       LYS  84  11.229  -5.413  -3.007
  539   2HE   LYS  84          2HE       LYS  84  10.292  -4.043  -3.602
  540   1HZ   LYS  84          1HZ       LYS  84  12.404  -2.727  -2.874
  541   2HZ   LYS  84          2HZ       LYS  84  13.167  -4.227  -3.043
  542   3HZ   LYS  84          3HZ       LYS  84  12.371  -3.530  -4.363
  543    HA   PRO  85           HA       PRO  85   5.968  -9.962  -0.480
  544   1HB   PRO  85          1HB       PRO  85   5.706  -9.007  -3.297
  545   2HB   PRO  85          2HB       PRO  85   4.471  -9.656  -2.212
  546   1HG   PRO  85          1HG       PRO  85   4.607  -7.045  -2.676
  547   2HG   PRO  85          2HG       PRO  85   4.251  -7.657  -1.050
  548   1HD   PRO  85          1HD       PRO  85   6.769  -6.484  -2.126
  549   2HD   PRO  85          2HD       PRO  85   6.074  -6.366  -0.499
  550    H    ALA  86           H        ALA  86   7.574 -11.479  -0.357
  551    HA   ALA  86           HA       ALA  86   8.573 -12.483  -2.890
  552   1HB   ALA  86          2HB       ALA  86  10.675 -12.228  -0.820
  553   2HB   ALA  86          3HB       ALA  86  10.211 -10.761  -1.683
  554   3HB   ALA  86          1HB       ALA  86  10.798 -12.164  -2.578

  No H/Q in entry =         554
  Start of MODEL   17
    1    H1   GLY  16           H1       GLY  16 -15.745  -6.676   5.586
    2    H2   GLY  16           H2       GLY  16 -17.275  -7.250   6.022
    3    H3   GLY  16           H3       GLY  16 -16.160  -6.820   7.220
    4   1HA   GLY  16          1HA       GLY  16 -16.550  -9.325   6.084
    5   2HA   GLY  16          2HA       GLY  16 -15.341  -8.856   7.270
    6    H    ARG  17           H        ARG  17 -14.526  -6.894   4.918
    7    HA   ARG  17           HA       ARG  17 -12.602  -8.796   3.808
    8   1HB   ARG  17          1HB       ARG  17 -14.633  -7.253   2.294
    9   2HB   ARG  17          2HB       ARG  17 -13.021  -7.344   1.596
   10   1HG   ARG  17          1HG       ARG  17 -13.462  -9.364   0.822
   11   2HG   ARG  17          2HG       ARG  17 -13.738  -9.938   2.469
   12   1HD   ARG  17          1HD       ARG  17 -16.050  -8.573   1.912
   13   2HD   ARG  17          2HD       ARG  17 -15.650  -9.294   0.354
   14    HE   ARG  17           HE       ARG  17 -15.575 -11.463   1.568
   15   1HH1  ARG  17          1HH1      ARG  17 -17.391  -8.790   2.871
   16   2HH1  ARG  17          2HH1      ARG  17 -18.477  -9.797   3.766
   17   1HH2  ARG  17          1HH2      ARG  17 -17.003 -12.797   2.742
   18   2HH2  ARG  17          2HH2      ARG  17 -18.257 -12.075   3.693
   19    H    VAL  18           H        VAL  18 -10.975  -7.900   4.990
   20    HA   VAL  18           HA       VAL  18 -10.432  -5.039   4.744
   21    HB   VAL  18           HB       VAL  18  -9.060  -7.169   6.391
   22   1HG1  VAL  18          1HG1      VAL  18  -8.456  -4.287   5.936
   23   2HG1  VAL  18          2HG1      VAL  18  -8.189  -4.971   7.540
   24   3HG1  VAL  18          3HG1      VAL  18  -7.358  -5.653   6.142
   25   1HG2  VAL  18          1HG2      VAL  18 -11.457  -5.717   6.795
   26   2HG2  VAL  18          2HG2      VAL  18 -10.643  -6.818   7.906
   27   3HG2  VAL  18          3HG2      VAL  18 -10.258  -5.097   7.931
   28    H    ARG  19           H        ARG  19  -9.558  -4.617   2.776
   29    HA   ARG  19           HA       ARG  19  -6.868  -5.496   2.296
   30   1HB   ARG  19          1HB       ARG  19  -7.443  -6.326  -0.047
   31   2HB   ARG  19          2HB       ARG  19  -7.825  -7.398   1.293
   32   1HG   ARG  19          1HG       ARG  19 -10.167  -6.235   1.154
   33   2HG   ARG  19          2HG       ARG  19  -9.648  -5.865  -0.491
   34   1HD   ARG  19          1HD       ARG  19 -10.870  -7.920  -0.541
   35   2HD   ARG  19          2HD       ARG  19  -9.167  -8.286  -0.813
   36    HE   ARG  19           HE       ARG  19 -10.009  -8.502   1.936
   37   1HH1  ARG  19          1HH1      ARG  19  -9.672 -10.150  -1.115
   38   2HH1  ARG  19          2HH1      ARG  19  -9.602 -11.728  -0.402
   39   1HH2  ARG  19          1HH2      ARG  19  -9.919 -10.576   2.884
   40   2HH2  ARG  19          2HH2      ARG  19  -9.743 -11.969   1.870
   41    H    TRP  20           H        TRP  20  -7.296  -3.023   2.750
   42    HA   TRP  20           HA       TRP  20  -7.167  -1.703   0.148
   43   1HB   TRP  20          1HB       TRP  20  -8.886  -0.788   2.462
   44   2HB   TRP  20          2HB       TRP  20  -8.543   0.183   1.032
   45    HD1  TRP  20           HD1      TRP  20 -10.360  -3.039   2.081
   46    HE1  TRP  20           HE1      TRP  20 -12.117  -3.593   0.268
   47    HE3  TRP  20           HE3      TRP  20  -9.214   0.607  -1.314
   48    HZ2  TRP  20           HZ2      TRP  20 -12.888  -2.608  -2.267
   49    HZ3  TRP  20           HZ3      TRP  20 -10.508   0.737  -3.401
   50    HH2  TRP  20           HH2      TRP  20 -12.314  -0.838  -3.864
   51    H    ALA  21           H        ALA  21  -6.058   0.370   0.217
   52    HA   ALA  21           HA       ALA  21  -4.393   0.686   2.611
   53   1HB   ALA  21          1HB       ALA  21  -3.419  -0.299   0.303
   54   2HB   ALA  21          3HB       ALA  21  -2.467   0.677   1.422
   55   3HB   ALA  21          2HB       ALA  21  -3.210   1.428   0.011
   56    H    ARG  22           H        ARG  22  -5.249   2.497   3.487
   57    HA   ARG  22           HA       ARG  22  -5.649   4.783   1.686
   58   1HB   ARG  22          1HB       ARG  22  -7.699   4.441   2.772
   59   2HB   ARG  22          2HB       ARG  22  -6.935   4.061   4.312
   60   1HG   ARG  22          1HG       ARG  22  -6.427   6.332   4.722
   61   2HG   ARG  22          2HG       ARG  22  -6.788   6.787   3.057
   62   1HD   ARG  22          1HD       ARG  22  -9.144   6.225   3.421
   63   2HD   ARG  22          2HD       ARG  22  -8.781   5.783   5.088
   64    HE   ARG  22           HE       ARG  22  -8.104   8.165   5.380
   65   1HH1  ARG  22          1HH1      ARG  22 -10.336   7.250   2.864
   66   2HH1  ARG  22          2HH1      ARG  22 -11.085   8.810   2.786
   67   1HH2  ARG  22          1HH2      ARG  22  -9.083  10.219   5.280
   68   2HH2  ARG  22          2HH2      ARG  22 -10.372  10.497   4.157
   69    H    ALA  23           H        ALA  23  -3.927   5.959   1.611
   70    HA   ALA  23           HA       ALA  23  -1.999   6.031   3.728
   71   1HB   ALA  23          3HB       ALA  23  -0.593   6.808   2.175
   72   2HB   ALA  23          2HB       ALA  23  -1.726   8.042   1.624
   73   3HB   ALA  23          1HB       ALA  23  -1.871   6.387   1.034
   74    H    LEU  24           H        LEU  24  -2.081   7.266   5.451
   75    HA   LEU  24           HA       LEU  24  -3.790   9.611   5.539
   76   1HB   LEU  24          1HB       LEU  24  -1.903   8.681   7.700
   77   2HB   LEU  24          2HB       LEU  24  -3.338   9.671   7.875
   78    HG   LEU  24           HG       LEU  24  -3.287   6.730   7.195
   79   1HD1  LEU  24          1HD1      LEU  24  -2.803   7.683   9.601
   80   2HD1  LEU  24          2HD1      LEU  24  -4.557   7.866   9.631
   81   3HD1  LEU  24          3HD1      LEU  24  -3.842   6.277   9.365
   82   1HD2  LEU  24          1HD2      LEU  24  -5.429   8.776   7.133
   83   2HD2  LEU  24          2HD2      LEU  24  -5.226   7.313   6.168
   84   3HD2  LEU  24          3HD2      LEU  24  -5.835   7.204   7.820
   85    H    TYR  25           H        TYR  25  -0.680   8.752   4.744
   86    HA   TYR  25           HA       TYR  25   0.214  11.541   4.665
   87   1HB   TYR  25          1HB       TYR  25   2.215   9.384   5.224
   88   2HB   TYR  25          2HB       TYR  25   2.298  11.101   5.597
   89    HD1  TYR  25           HD1      TYR  25   1.467   7.830   6.823
   90    HD2  TYR  25           HD2      TYR  25   0.896  11.989   7.507
   91    HE1  TYR  25           HE1      TYR  25   0.790   7.350   9.138
   92    HE2  TYR  25           HE2      TYR  25   0.215  11.522   9.823
   93    HH   TYR  25           HH       TYR  25   0.563   9.716  11.515
   94    H    ASP  26           H        ASP  26   2.390  11.487   3.243
   95    HA   ASP  26           HA       ASP  26   1.638  10.830   0.649
   96   1HB   ASP  26          1HB       ASP  26   3.692  12.235   1.751
   97   2HB   ASP  26          2HB       ASP  26   4.545  10.812   1.158
   98    H    PHE  27           H        PHE  27   3.511   9.458  -0.675
   99    HA   PHE  27           HA       PHE  27   3.115   6.721   0.310
  100   1HB   PHE  27          1HB       PHE  27   3.383   5.991  -1.937
  101   2HB   PHE  27          2HB       PHE  27   2.344   7.410  -1.986
  102    HD1  PHE  27           HD1      PHE  27   3.219   9.557  -2.810
  103    HD2  PHE  27           HD2      PHE  27   5.527   5.986  -2.938
  104    HE1  PHE  27           HE1      PHE  27   4.743  10.613  -4.427
  105    HE2  PHE  27           HE2      PHE  27   7.062   7.037  -4.559
  106    HZ   PHE  27           HZ       PHE  27   6.669   9.352  -5.304
  107    H    GLU  28           H        GLU  28   4.746   5.193   0.411
  108    HA   GLU  28           HA       GLU  28   7.458   6.290   0.656
  109   1HB   GLU  28          1HB       GLU  28   6.386   3.643   1.637
  110   2HB   GLU  28          2HB       GLU  28   7.960   4.336   2.003
  111   1HG   GLU  28          1HG       GLU  28   5.952   6.213   2.724
  112   2HG   GLU  28          2HG       GLU  28   5.530   4.643   3.403
  113    H    ALA  29           H        ALA  29   5.832   5.093  -1.787
  114    HA   ALA  29           HA       ALA  29   7.341   2.821  -2.587
  115   1HB   ALA  29          1HB       ALA  29   5.113   3.253  -3.473
  116   2HB   ALA  29          2HB       ALA  29   6.295   3.137  -4.776
  117   3HB   ALA  29          3HB       ALA  29   5.698   4.716  -4.265
  118    H    LEU  30           H        LEU  30   9.492   3.024  -2.750
  119    HA   LEU  30           HA       LEU  30  10.578   5.311  -4.242
  120   1HB   LEU  30          1HB       LEU  30  12.227   3.365  -2.660
  121   2HB   LEU  30          2HB       LEU  30  12.619   5.010  -3.124
  122    HG   LEU  30           HG       LEU  30  10.421   4.381  -1.166
  123   1HD1  LEU  30          1HD1      LEU  30  13.334   4.348  -0.795
  124   2HD1  LEU  30          2HD1      LEU  30  12.437   5.325   0.368
  125   3HD1  LEU  30          3HD1      LEU  30  12.054   3.614   0.171
  126   1HD2  LEU  30          1HD2      LEU  30  11.323   6.737  -2.448
  127   2HD2  LEU  30          2HD2      LEU  30  10.088   6.573  -1.199
  128   3HD2  LEU  30          3HD2      LEU  30  11.769   6.851  -0.745
  129    H    GLU  31           H        GLU  31   9.810   2.065  -4.546
  130    HA   GLU  31           HA       GLU  31  11.852   1.615  -6.616
  131   1HB   GLU  31          1HB       GLU  31  10.893  -0.045  -4.599
  132   2HB   GLU  31          2HB       GLU  31  10.118  -0.651  -6.057
  133   1HG   GLU  31          1HG       GLU  31  12.702  -0.300  -6.876
  134   2HG   GLU  31          2HG       GLU  31  12.900  -0.811  -5.201
  135    H    GLU  32           H        GLU  32  11.251   0.809  -8.677
  136    HA   GLU  32           HA       GLU  32   8.907   2.028  -9.740
  137   1HB   GLU  32          1HB       GLU  32   9.639   1.217 -11.868
  138   2HB   GLU  32          2HB       GLU  32  11.065   1.738 -10.981
  139   1HG   GLU  32          1HG       GLU  32  10.359  -1.100 -10.682
  140   2HG   GLU  32          2HG       GLU  32  10.859  -0.603 -12.299
  141    H    ASP  33           H        ASP  33   9.606  -1.058  -8.412
  142    HA   ASP  33           HA       ASP  33   7.398  -2.409  -9.711
  143   1HB   ASP  33          1HB       ASP  33   9.697  -3.176  -8.118
  144   2HB   ASP  33          2HB       ASP  33   8.229  -3.958  -7.532
  145    H    GLU  34           H        GLU  34   7.368  -0.063  -7.569
  146    HA   GLU  34           HA       GLU  34   5.238  -1.261  -5.930
  147   1HB   GLU  34          1HB       GLU  34   7.072   1.047  -5.262
  148   2HB   GLU  34          2HB       GLU  34   5.757   0.476  -4.244
  149   1HG   GLU  34          1HG       GLU  34   6.855  -1.486  -3.699
  150   2HG   GLU  34          2HG       GLU  34   7.924  -1.394  -5.095
  151    H    LEU  35           H        LEU  35   3.937   0.783  -4.941
  152    HA   LEU  35           HA       LEU  35   3.141   2.481  -7.206
  153   1HB   LEU  35          1HB       LEU  35   1.427   0.902  -7.172
  154   2HB   LEU  35          2HB       LEU  35   1.446   0.772  -5.424
  155    HG   LEU  35           HG       LEU  35   0.654   3.324  -5.634
  156   1HD1  LEU  35          1HD1      LEU  35   0.748   3.031  -8.177
  157   2HD1  LEU  35          2HD1      LEU  35  -0.719   2.072  -7.986
  158   3HD1  LEU  35          3HD1      LEU  35  -0.699   3.761  -7.481
  159   1HD2  LEU  35          1HD2      LEU  35  -0.422   1.291  -4.526
  160   2HD2  LEU  35          2HD2      LEU  35  -1.494   2.580  -5.073
  161   3HD2  LEU  35          3HD2      LEU  35  -1.330   1.106  -6.027
  162    H    GLY  36           H        GLY  36   2.684   4.587  -6.713
  163   1HA   GLY  36          1HA       GLY  36   3.567   6.330  -5.267
  164   2HA   GLY  36          2HA       GLY  36   3.103   5.337  -3.898
  165    H    PHE  37           H        PHE  37   1.510   6.188  -2.820
  166    HA   PHE  37           HA       PHE  37  -0.688   7.496  -4.279
  167   1HB   PHE  37          1HB       PHE  37  -1.855   7.001  -1.942
  168   2HB   PHE  37          2HB       PHE  37  -1.816   5.793  -3.222
  169    HD1  PHE  37           HD1      PHE  37   0.553   6.918  -0.558
  170    HD2  PHE  37           HD2      PHE  37  -1.473   3.679  -2.429
  171    HE1  PHE  37           HE1      PHE  37   1.665   5.346   0.971
  172    HE2  PHE  37           HE2      PHE  37  -0.367   2.100  -0.901
  173    HZ   PHE  37           HZ       PHE  37   1.204   2.933   0.804
  174    H    ARG  38           H        ARG  38  -1.922   8.891  -2.375
  175    HA   ARG  38           HA       ARG  38   0.151  10.542  -1.110
  176   1HB   ARG  38          1HB       ARG  38  -1.892  11.294  -3.077
  177   2HB   ARG  38          2HB       ARG  38  -1.711  12.402  -1.725
  178   1HG   ARG  38          1HG       ARG  38   0.612  12.713  -2.237
  179   2HG   ARG  38          2HG       ARG  38   0.542  11.447  -3.466
  180   1HD   ARG  38          1HD       ARG  38   0.481  13.842  -4.301
  181   2HD   ARG  38          2HD       ARG  38  -0.781  12.768  -4.899
  182    HE   ARG  38           HE       ARG  38  -2.318  14.125  -3.909
  183   1HH1  ARG  38          1HH1      ARG  38   0.766  14.659  -2.377
  184   2HH1  ARG  38          2HH1      ARG  38   0.192  15.955  -1.383
  185   1HH2  ARG  38          1HH2      ARG  38  -3.081  15.829  -2.605
  186   2HH2  ARG  38          2HH2      ARG  38  -1.996  16.621  -1.511
  187    H    SER  39           H        SER  39  -1.119  12.301   0.308
  188    HA   SER  39           HA       SER  39  -2.207  10.892   2.470
  189   1HB   SER  39          1HB       SER  39  -3.087  13.490   2.826
  190   2HB   SER  39          2HB       SER  39  -1.530  12.850   3.348
  191    HG   SER  39           HG       SER  39  -1.294  14.731   2.074
  192    H    GLY  40           H        GLY  40  -4.289  10.696   3.275
  193   1HA   GLY  40          1HA       GLY  40  -6.615  11.855   2.334
  194   2HA   GLY  40          2HA       GLY  40  -6.540  10.289   3.120
  195    H    GLU  41           H        GLU  41  -5.018   8.915   1.162
  196    HA   GLU  41           HA       GLU  41  -6.841   8.980  -1.150
  197   1HB   GLU  41          1HB       GLU  41  -3.960   8.129  -0.914
  198   2HB   GLU  41          2HB       GLU  41  -4.955   7.693  -2.296
  199   1HG   GLU  41          1HG       GLU  41  -4.157  10.453  -1.410
  200   2HG   GLU  41          2HG       GLU  41  -3.681   9.608  -2.881
  201    H    VAL  42           H        VAL  42  -7.516   6.975  -2.072
  202    HA   VAL  42           HA       VAL  42  -7.493   4.754  -0.133
  203    HB   VAL  42           HB       VAL  42  -9.639   4.705  -2.132
  204   1HG1  VAL  42          1HG1      VAL  42  -9.447   3.151  -0.235
  205   2HG1  VAL  42          2HG1      VAL  42  -9.653   4.504   0.878
  206   3HG1  VAL  42          3HG1      VAL  42 -10.964   4.050  -0.211
  207   1HG2  VAL  42          1HG2      VAL  42  -9.434   7.155  -1.658
  208   2HG2  VAL  42          2HG2      VAL  42 -10.986   6.448  -1.208
  209   3HG2  VAL  42          3HG2      VAL  42  -9.784   6.797   0.034
  210    H    VAL  43           H        VAL  43  -6.786   2.822  -0.790
  211    HA   VAL  43           HA       VAL  43  -6.429   2.354  -3.673
  212    HB   VAL  43           HB       VAL  43  -4.434   1.598  -1.532
  213   1HG1  VAL  43          1HG1      VAL  43  -4.345   1.307  -4.532
  214   2HG1  VAL  43          2HG1      VAL  43  -2.999   0.985  -3.439
  215   3HG1  VAL  43          3HG1      VAL  43  -4.460   0.002  -3.350
  216   1HG2  VAL  43          1HG2      VAL  43  -4.748   4.004  -3.158
  217   2HG2  VAL  43          2HG2      VAL  43  -3.795   3.737  -1.698
  218   3HG2  VAL  43          3HG2      VAL  43  -3.147   3.272  -3.271
  219    H    GLU  44           H        GLU  44  -6.736   0.253  -4.380
  220    HA   GLU  44           HA       GLU  44  -8.126  -1.499  -2.492
  221   1HB   GLU  44          1HB       GLU  44  -9.218  -0.968  -4.637
  222   2HB   GLU  44          2HB       GLU  44  -7.865  -1.683  -5.500
  223   1HG   GLU  44          1HG       GLU  44  -8.672  -3.667  -3.748
  224   2HG   GLU  44          2HG       GLU  44 -10.176  -2.940  -4.311
  225    H    VAL  45           H        VAL  45  -6.940  -2.990  -1.472
  226    HA   VAL  45           HA       VAL  45  -4.388  -3.845  -2.505
  227    HB   VAL  45           HB       VAL  45  -5.900  -4.803  -0.071
  228   1HG1  VAL  45          1HG1      VAL  45  -3.231  -5.496  -1.207
  229   2HG1  VAL  45          2HG1      VAL  45  -3.443  -5.466   0.544
  230   3HG1  VAL  45          3HG1      VAL  45  -4.437  -6.534  -0.445
  231   1HG2  VAL  45          1HG2      VAL  45  -4.649  -2.361  -0.524
  232   2HG2  VAL  45          2HG2      VAL  45  -5.110  -3.041   1.037
  233   3HG2  VAL  45          3HG2      VAL  45  -3.481  -3.298   0.409
  234    H    LEU  46           H        LEU  46  -3.892  -5.759  -3.458
  235    HA   LEU  46           HA       LEU  46  -6.165  -7.505  -4.105
  236   1HB   LEU  46          1HB       LEU  46  -3.961  -6.407  -5.645
  237   2HB   LEU  46          2HB       LEU  46  -4.090  -8.147  -5.832
  238    HG   LEU  46           HG       LEU  46  -6.355  -6.207  -6.306
  239   1HD1  LEU  46          1HD1      LEU  46  -4.343  -7.438  -8.155
  240   2HD1  LEU  46          2HD1      LEU  46  -5.937  -6.940  -8.723
  241   3HD1  LEU  46          3HD1      LEU  46  -4.840  -5.751  -8.020
  242   1HD2  LEU  46          1HD2      LEU  46  -6.172  -9.107  -6.139
  243   2HD2  LEU  46          2HD2      LEU  46  -7.590  -8.059  -6.139
  244   3HD2  LEU  46          3HD2      LEU  46  -6.856  -8.549  -7.665
  245    H    ASP  47           H        ASP  47  -3.588  -7.465  -2.040
  246    HA   ASP  47           HA       ASP  47  -3.580 -10.375  -1.921
  247   1HB   ASP  47          1HB       ASP  47  -1.315  -8.740  -2.741
  248   2HB   ASP  47          2HB       ASP  47  -0.938  -9.817  -1.399
  249    H    SER  48           H        SER  48  -1.967  -7.631  -0.423
  250    HA   SER  48           HA       SER  48  -1.597  -7.022   1.740
  251   1HB   SER  48          1HB       SER  48  -3.542  -7.953   3.354
  252   2HB   SER  48          2HB       SER  48  -3.727  -6.528   2.337
  253    HG   SER  48           HG       SER  48  -5.420  -7.646   1.703
  254    H    SER  49           H        SER  49  -1.352 -10.156   0.782
  255    HA   SER  49           HA       SER  49  -0.806 -11.224   3.417
  256   1HB   SER  49          1HB       SER  49   0.318 -13.024   1.699
  257   2HB   SER  49          2HB       SER  49  -1.382 -13.048   2.170
  258    HG   SER  49           HG       SER  49  -1.095 -13.116  -0.109
  259    H    ASN  50           H        ASN  50   0.921 -10.602   4.420
  260    HA   ASN  50           HA       ASN  50   3.543 -10.981   3.863
  261   1HB   ASN  50          1HB       ASN  50   2.473  -8.640   2.443
  262   2HB   ASN  50          2HB       ASN  50   3.929  -8.310   3.375
  263   1HD2  ASN  50          1HD2      ASN  50   3.028  -8.753   0.426
  264   2HD2  ASN  50          2HD2      ASN  50   4.315  -9.697  -0.222
  265    HA   PRO  51           HA       PRO  51   3.498  -9.028   7.847
  266   1HB   PRO  51          1HB       PRO  51   6.084  -9.032   8.485
  267   2HB   PRO  51          2HB       PRO  51   5.221 -10.547   8.190
  268   1HG   PRO  51          1HG       PRO  51   7.148  -9.095   6.448
  269   2HG   PRO  51          2HG       PRO  51   6.878 -10.837   6.619
  270   1HD   PRO  51          1HD       PRO  51   5.841  -9.143   4.600
  271   2HD   PRO  51          2HD       PRO  51   5.390 -10.831   4.908
  272    H    SER  52           H        SER  52   4.357  -7.199   5.245
  273    HA   SER  52           HA       SER  52   4.256  -4.773   6.709
  274   1HB   SER  52          1HB       SER  52   6.882  -5.922   6.267
  275   2HB   SER  52          2HB       SER  52   6.742  -4.319   5.547
  276    HG   SER  52           HG       SER  52   5.846  -3.690   7.667
  277    H    TRP  53           H        TRP  53   5.760  -5.973   3.683
  278    HA   TRP  53           HA       TRP  53   4.516  -3.736   2.266
  279   1HB   TRP  53          1HB       TRP  53   6.774  -5.600   1.683
  280   2HB   TRP  53          2HB       TRP  53   5.930  -4.856   0.331
  281    HD1  TRP  53           HD1      TRP  53   8.226  -4.007   3.263
  282    HE1  TRP  53           HE1      TRP  53   9.198  -1.653   2.895
  283    HE3  TRP  53           HE3      TRP  53   5.452  -2.609  -0.796
  284    HZ2  TRP  53           HZ2      TRP  53   8.835   0.512   1.121
  285    HZ3  TRP  53           HZ3      TRP  53   5.826  -0.379  -1.768
  286    HH2  TRP  53           HH2      TRP  53   7.483   1.147  -0.827
  287    H    TRP  54           H        TRP  54   2.547  -4.057   1.461
  288    HA   TRP  54           HA       TRP  54   1.815  -6.756   0.552
  289   1HB   TRP  54          1HB       TRP  54  -0.009  -4.409   1.111
  290   2HB   TRP  54          2HB       TRP  54  -0.495  -6.046   0.693
  291    HD1  TRP  54           HD1      TRP  54   1.886  -7.128   2.887
  292    HE1  TRP  54           HE1      TRP  54   1.085  -7.293   5.318
  293    HE3  TRP  54           HE3      TRP  54  -2.165  -4.038   2.611
  294    HZ2  TRP  54           HZ2      TRP  54  -0.977  -6.228   6.929
  295    HZ3  TRP  54           HZ3      TRP  54  -3.498  -3.655   4.642
  296    HH2  TRP  54           HH2      TRP  54  -2.916  -4.728   6.757
  297    H    THR  55           H        THR  55   0.956  -7.107  -1.478
  298    HA   THR  55           HA       THR  55   1.661  -5.121  -3.482
  299    HB   THR  55           HB       THR  55   0.444  -7.847  -3.952
  300    HG1  THR  55           HG1      THR  55   2.503  -7.832  -2.736
  301   1HG2  THR  55          1HG2      THR  55   1.646  -5.733  -5.653
  302   2HG2  THR  55          2HG2      THR  55   2.007  -7.409  -6.070
  303   3HG2  THR  55          3HG2      THR  55   0.333  -6.857  -6.003
  304    H    GLY  56           H        GLY  56   0.226  -3.619  -4.054
  305   1HA   GLY  56          1HA       GLY  56  -2.203  -2.995  -3.382
  306   2HA   GLY  56          2HA       GLY  56  -2.592  -4.403  -4.363
  307    H    ARG  57           H        ARG  57  -3.738  -2.105  -5.141
  308    HA   ARG  57           HA       ARG  57  -2.049  -0.811  -7.120
  309   1HB   ARG  57          1HB       ARG  57  -3.642  -1.339  -8.974
  310   2HB   ARG  57          2HB       ARG  57  -2.733  -2.727  -8.378
  311   1HG   ARG  57          1HG       ARG  57  -4.584  -3.710  -7.444
  312   2HG   ARG  57          2HG       ARG  57  -5.420  -2.172  -7.224
  313   1HD   ARG  57          1HD       ARG  57  -5.864  -2.022  -9.588
  314   2HD   ARG  57          2HD       ARG  57  -4.911  -3.474  -9.894
  315    HE   ARG  57           HE       ARG  57  -6.819  -4.306  -8.150
  316   1HH1  ARG  57          1HH1      ARG  57  -6.896  -2.647 -11.214
  317   2HH1  ARG  57          2HH1      ARG  57  -8.427  -3.310 -11.680
  318   1HH2  ARG  57          1HH2      ARG  57  -8.834  -5.182  -8.755
  319   2HH2  ARG  57          2HH2      ARG  57  -9.527  -4.751 -10.282
  320    H    LEU  58           H        LEU  58  -2.657   1.216  -7.586
  321    HA   LEU  58           HA       LEU  58  -5.085   2.242  -6.295
  322   1HB   LEU  58          1HB       LEU  58  -2.671   3.205  -5.995
  323   2HB   LEU  58          2HB       LEU  58  -2.960   3.945  -7.556
  324    HG   LEU  58           HG       LEU  58  -4.781   4.365  -5.187
  325   1HD1  LEU  58          1HD1      LEU  58  -2.309   5.098  -4.935
  326   2HD1  LEU  58          2HD1      LEU  58  -2.751   6.362  -6.083
  327   3HD1  LEU  58          3HD1      LEU  58  -3.598   6.236  -4.541
  328   1HD2  LEU  58          1HD2      LEU  58  -5.621   4.805  -7.522
  329   2HD2  LEU  58          2HD2      LEU  58  -5.657   6.189  -6.429
  330   3HD2  LEU  58          3HD2      LEU  58  -4.386   6.060  -7.644
  331    H    HIS  59           H        HIS  59  -6.815   2.350  -7.582
  332    HA   HIS  59           HA       HIS  59  -8.158   2.751  -9.372
  333   1HB   HIS  59          1HB       HIS  59  -5.837   4.531  -9.885
  334   2HB   HIS  59          2HB       HIS  59  -6.895   4.204 -11.253
  335    HD1  HIS  59           HD1      HIS  59  -8.170   6.341 -11.456
  336    HD2  HIS  59           HD2      HIS  59  -8.080   4.924  -7.551
  337    HE1  HIS  59           HE1      HIS  59  -9.703   7.852 -10.156
  338    HE2  HIS  59           HE2      HIS  59  -9.706   6.916  -7.817
  339    H    ASN  60           H        ASN  60  -5.198   2.822 -11.303
  340    HA   ASN  60           HA       ASN  60  -5.814   0.128 -12.294
  341   1HB   ASN  60          1HB       ASN  60  -5.295   0.932 -14.616
  342   2HB   ASN  60          2HB       ASN  60  -6.784   1.583 -13.937
  343   1HD2  ASN  60          1HD2      ASN  60  -6.914   3.459 -15.015
  344   2HD2  ASN  60          2HD2      ASN  60  -5.736   4.719 -14.934
  345    H    LYS  61           H        LYS  61  -3.577   2.045 -10.888
  346    HA   LYS  61           HA       LYS  61  -1.276   0.933 -12.306
  347   1HB   LYS  61          1HB       LYS  61  -1.320   2.884  -9.995
  348   2HB   LYS  61          2HB       LYS  61   0.066   2.470 -10.994
  349   1HG   LYS  61          1HG       LYS  61  -0.576   3.817 -12.688
  350   2HG   LYS  61          2HG       LYS  61  -2.295   3.520 -12.415
  351   1HD   LYS  61          1HD       LYS  61  -2.155   5.700 -11.732
  352   2HD   LYS  61          2HD       LYS  61  -1.827   4.879 -10.204
  353   1HE   LYS  61          1HE       LYS  61  -0.254   6.716 -10.621
  354   2HE   LYS  61          2HE       LYS  61   0.558   5.154 -10.534
  355   1HZ   LYS  61          1HZ       LYS  61  -0.179   5.690 -13.202
  356   2HZ   LYS  61          2HZ       LYS  61   0.677   7.015 -12.590
  357   3HZ   LYS  61          3HZ       LYS  61   1.369   5.471 -12.555
  358    H    LEU  62           H        LEU  62  -0.191  -0.788 -11.555
  359    HA   LEU  62           HA       LEU  62  -0.931  -1.806  -8.904
  360   1HB   LEU  62          1HB       LEU  62   0.443  -3.240 -11.174
  361   2HB   LEU  62          2HB       LEU  62  -0.125  -3.967  -9.683
  362    HG   LEU  62           HG       LEU  62  -2.424  -2.852 -10.614
  363   1HD1  LEU  62          1HD1      LEU  62  -0.647  -2.785 -12.807
  364   2HD1  LEU  62          2HD1      LEU  62  -1.819  -4.065 -13.118
  365   3HD1  LEU  62          3HD1      LEU  62  -2.373  -2.425 -12.786
  366   1HD2  LEU  62          1HD2      LEU  62  -1.584  -5.308  -9.953
  367   2HD2  LEU  62          2HD2      LEU  62  -3.145  -4.994 -10.711
  368   3HD2  LEU  62          3HD2      LEU  62  -1.779  -5.526 -11.692
  369    H    GLY  63           H        GLY  63   0.530  -2.211  -7.331
  370   1HA   GLY  63          1HA       GLY  63   2.975  -0.793  -7.342
  371   2HA   GLY  63          2HA       GLY  63   3.279  -2.503  -7.610
  372    H    LEU  64           H        LEU  64   4.472  -2.396  -5.595
  373    HA   LEU  64           HA       LEU  64   2.868  -3.252  -3.382
  374   1HB   LEU  64          1HB       LEU  64   5.669  -2.643  -2.793
  375   2HB   LEU  64          2HB       LEU  64   4.773  -4.132  -2.574
  376    HG   LEU  64           HG       LEU  64   5.776  -3.270  -5.276
  377   1HD1  LEU  64          1HD1      LEU  64   7.198  -4.819  -3.129
  378   2HD1  LEU  64          2HD1      LEU  64   7.625  -4.932  -4.836
  379   3HD1  LEU  64          3HD1      LEU  64   7.755  -3.386  -3.996
  380   1HD2  LEU  64          1HD2      LEU  64   4.711  -5.806  -4.081
  381   2HD2  LEU  64          2HD2      LEU  64   4.167  -4.943  -5.520
  382   3HD2  LEU  64          3HD2      LEU  64   5.699  -5.818  -5.543
  383    H    PHE  65           H        PHE  65   2.848  -2.309  -1.254
  384    HA   PHE  65           HA       PHE  65   3.630   0.505  -1.079
  385   1HB   PHE  65          1HB       PHE  65   1.523   1.342  -0.606
  386   2HB   PHE  65          2HB       PHE  65   1.140   0.129  -1.826
  387    HD1  PHE  65           HD1      PHE  65  -0.135  -1.830  -1.255
  388    HD2  PHE  65           HD2      PHE  65   1.032   0.959   1.737
  389    HE1  PHE  65           HE1      PHE  65  -1.681  -2.892   0.334
  390    HE2  PHE  65           HE2      PHE  65  -0.499  -0.091   3.332
  391    HZ   PHE  65           HZ       PHE  65  -1.865  -2.026   2.637
  392    HA   PRO  66           HA       PRO  66   4.574  -0.564   3.129
  393   1HB   PRO  66          1HB       PRO  66   4.435   1.780   4.381
  394   2HB   PRO  66          2HB       PRO  66   5.618   1.525   3.091
  395   1HG   PRO  66          1HG       PRO  66   2.932   2.863   2.948
  396   2HG   PRO  66          2HG       PRO  66   4.487   3.433   2.321
  397   1HD   PRO  66          1HD       PRO  66   2.642   2.189   0.765
  398   2HD   PRO  66          2HD       PRO  66   4.385   2.074   0.474
  399    H    ALA  67           H        ALA  67   3.123  -1.842   4.211
  400    HA   ALA  67           HA       ALA  67   0.429  -1.048   4.718
  401   1HB   ALA  67          3HB       ALA  67   1.542  -3.441   4.565
  402   2HB   ALA  67          1HB       ALA  67   1.671  -3.226   6.311
  403   3HB   ALA  67          2HB       ALA  67   0.092  -3.153   5.527
  404    H    ASN  68           H        ASN  68   3.356  -0.312   6.216
  405    HA   ASN  68           HA       ASN  68   2.222   0.063   8.865
  406   1HB   ASN  68          1HB       ASN  68   4.344  -0.279   9.480
  407   2HB   ASN  68          2HB       ASN  68   4.855  -0.278   7.796
  408   1HD2  ASN  68          1HD2      ASN  68   5.249   1.864   6.822
  409   2HD2  ASN  68          2HD2      ASN  68   5.943   3.093   7.819
  410    H    TYR  69           H        TYR  69   3.020   1.914   6.026
  411    HA   TYR  69           HA       TYR  69   2.830   4.473   7.320
  412   1HB   TYR  69          1HB       TYR  69   3.898   3.620   4.946
  413   2HB   TYR  69          2HB       TYR  69   2.414   4.402   4.412
  414    HD1  TYR  69           HD1      TYR  69   2.699   6.576   3.731
  415    HD2  TYR  69           HD2      TYR  69   5.092   5.120   6.932
  416    HE1  TYR  69           HE1      TYR  69   3.796   8.771   3.901
  417    HE2  TYR  69           HE2      TYR  69   6.193   7.311   7.114
  418    HH   TYR  69           HH       TYR  69   6.554   9.290   5.994
  419    H    VAL  70           H        VAL  70   0.718   2.444   5.329
  420    HA   VAL  70           HA       VAL  70  -1.518   4.217   6.097
  421    HB   VAL  70           HB       VAL  70  -2.364   4.270   4.007
  422   1HG1  VAL  70          1HG1      VAL  70   0.103   4.881   3.882
  423   2HG1  VAL  70          2HG1      VAL  70   0.335   3.317   3.100
  424   3HG1  VAL  70          3HG1      VAL  70  -0.713   4.527   2.359
  425   1HG2  VAL  70          1HG2      VAL  70  -1.495   1.422   3.844
  426   2HG2  VAL  70          2HG2      VAL  70  -3.094   2.128   3.618
  427   3HG2  VAL  70          3HG2      VAL  70  -1.872   2.294   2.358
  428    H    ALA  71           H        ALA  71  -3.646   3.143   6.175
  429    HA   ALA  71           HA       ALA  71  -3.463   0.273   6.820
  430   1HB   ALA  71          3HB       ALA  71  -4.832   2.407   8.452
  431   2HB   ALA  71          1HB       ALA  71  -3.456   1.412   8.928
  432   3HB   ALA  71          2HB       ALA  71  -5.043   0.674   8.705
  433    HA   PRO  72           HA       PRO  72  -6.931  -0.394   4.206
  434   1HB   PRO  72          1HB       PRO  72  -8.085  -2.073   6.365
  435   2HB   PRO  72          2HB       PRO  72  -7.759  -2.471   4.673
  436   1HG   PRO  72          1HG       PRO  72  -6.186  -3.402   6.575
  437   2HG   PRO  72          2HG       PRO  72  -5.490  -2.810   5.058
  438   1HD   PRO  72          1HD       PRO  72  -5.617  -1.452   7.731
  439   2HD   PRO  72          2HD       PRO  72  -4.281  -1.508   6.560
  440    H    MET  73           H        MET  73  -9.398  -0.637   4.324
  441    HA   MET  73           HA       MET  73 -10.651   1.122   6.271
  442   1HB   MET  73          1HB       MET  73  -9.708   2.355   4.151
  443   2HB   MET  73          2HB       MET  73 -11.124   1.670   3.368
  444   1HG   MET  73          1HG       MET  73 -12.271   2.736   5.554
  445   2HG   MET  73          2HG       MET  73 -10.912   3.838   5.351
  446   1HE   MET  73          1HE       MET  73 -13.108   1.735   3.230
  447   2HE   MET  73          2HE       MET  73 -14.504   2.807   3.327
  448   3HE   MET  73          3HE       MET  73 -13.545   2.741   1.848
  449    H    MET  74           H        MET  74 -12.027  -0.465   6.967
  450    HA   MET  74           HA       MET  74 -13.334  -2.274   5.195
  451   1HB   MET  74          1HB       MET  74 -12.820  -2.792   7.567
  452   2HB   MET  74          2HB       MET  74 -14.022  -1.607   8.061
  453   1HG   MET  74          1HG       MET  74 -15.008  -3.625   6.184
  454   2HG   MET  74          2HG       MET  74 -14.480  -4.261   7.741
  455   1HE   MET  74          1HE       MET  74 -15.622  -4.405   9.594
  456   2HE   MET  74          2HE       MET  74 -15.668  -2.762  10.233
  457   3HE   MET  74          3HE       MET  74 -17.163  -3.680  10.053
  458    H    ARG  75           H        ARG  75 -14.730  -1.523   3.753
  459    HA   ARG  75           HA       ARG  75 -16.275   0.800   3.977
  460   1HB   ARG  75          1HB       ARG  75 -16.797  -1.651   2.284
  461   2HB   ARG  75          2HB       ARG  75 -17.523  -0.067   2.042
  462   1HG   ARG  75          1HG       ARG  75 -15.436   0.892   1.440
  463   2HG   ARG  75          2HG       ARG  75 -14.557  -0.551   1.947
  464   1HD   ARG  75          1HD       ARG  75 -14.623  -0.847  -0.331
  465   2HD   ARG  75          2HD       ARG  75 -16.061  -1.734   0.169
  466    HE   ARG  75           HE       ARG  75 -16.365   1.062  -0.629
  467   1HH1  ARG  75          1HH1      ARG  75 -16.812  -2.320  -1.341
  468   2HH1  ARG  75          2HH1      ARG  75 -17.980  -2.035  -2.587
  469   1HH2  ARG  75          1HH2      ARG  75 -17.904   1.444  -2.272
  470   2HH2  ARG  75          2HH2      ARG  75 -18.600   0.101  -3.115
  471    H1   ALA  76           H1       ALA  76   5.620   8.082  13.514
  472    H2   ALA  76           H2       ALA  76   6.873   9.219  13.523
  473    H3   ALA  76           H3       ALA  76   5.279   9.718  13.257
  474    HA   ALA  76           HA       ALA  76   5.246   9.072  11.119
  475   1HB   ALA  76          1HB       ALA  76   8.212   9.350  11.584
  476   2HB   ALA  76          2HB       ALA  76   7.078  10.679  11.345
  477   3HB   ALA  76          3HB       ALA  76   7.379   9.532  10.040
  478    HA   PRO  77           HA       PRO  77   5.640   4.536  11.398
  479   1HB   PRO  77          1HB       PRO  77   4.372   4.331   8.888
  480   2HB   PRO  77          2HB       PRO  77   3.625   4.122  10.473
  481   1HG   PRO  77          1HG       PRO  77   3.625   6.483   8.676
  482   2HG   PRO  77          2HG       PRO  77   2.401   5.944   9.837
  483   1HD   PRO  77          1HD       PRO  77   3.994   8.053  10.328
  484   2HD   PRO  77          2HD       PRO  77   3.459   6.960  11.622
  485    H    SER  78           H        SER  78   7.380   3.448  10.745
  486    HA   SER  78           HA       SER  78   8.699   4.288   8.248
  487   1HB   SER  78          1HB       SER  78  10.310   4.771   9.828
  488   2HB   SER  78          2HB       SER  78   9.784   3.483  10.911
  489    HG   SER  78           HG       SER  78  11.693   2.821  10.019
  490    H    ILE  79           H        ILE  79   8.855   2.881   6.675
  491    HA   ILE  79           HA       ILE  79   8.359   0.047   7.289
  492    HB   ILE  79           HB       ILE  79   7.009   1.781   5.511
  493   1HG1  ILE  79          1HG1      ILE  79   6.274  -0.243   6.935
  494   2HG1  ILE  79          2HG1      ILE  79   5.462   0.046   5.403
  495   1HG2  ILE  79          1HG2      ILE  79   8.717  -0.229   4.093
  496   2HG2  ILE  79          2HG2      ILE  79   7.165   0.285   3.432
  497   3HG2  ILE  79          3HG2      ILE  79   8.442   1.471   3.706
  498   1HD1  ILE  79          1HD1      ILE  79   7.798  -1.793   5.462
  499   2HD1  ILE  79          2HD1      ILE  79   6.248  -2.351   6.091
  500   3HD1  ILE  79          3HD1      ILE  79   6.377  -1.806   4.418
  501    H    ASP  80           H        ASP  80   9.769  -1.446   6.611
  502    HA   ASP  80           HA       ASP  80  12.222  -0.504   5.324
  503   1HB   ASP  80          1HB       ASP  80  11.634  -3.135   6.699
  504   2HB   ASP  80          2HB       ASP  80  13.206  -2.621   6.092
  505    H    ARG  81           H        ARG  81  12.742  -1.007   3.291
  506    HA   ARG  81           HA       ARG  81  10.885  -2.467   1.660
  507   1HB   ARG  81          1HB       ARG  81  13.553  -1.192   1.055
  508   2HB   ARG  81          2HB       ARG  81  12.551  -1.976  -0.159
  509   1HG   ARG  81          1HG       ARG  81  10.834  -0.205   1.108
  510   2HG   ARG  81          2HG       ARG  81  12.356   0.676   0.966
  511   1HD   ARG  81          1HD       ARG  81  11.166  -0.817  -1.350
  512   2HD   ARG  81          2HD       ARG  81  10.698   0.842  -0.976
  513    HE   ARG  81           HE       ARG  81  13.030   1.466  -1.328
  514   1HH1  ARG  81          1HH1      ARG  81  11.996  -1.632  -2.535
  515   2HH1  ARG  81          2HH1      ARG  81  13.252  -1.732  -3.724
  516   1HH2  ARG  81          1HH2      ARG  81  14.685   1.346  -2.889
  517   2HH2  ARG  81          2HH2      ARG  81  14.780  -0.037  -3.927
  518    H    SER  82           H        SER  82  13.341  -3.445   3.656
  519    HA   SER  82           HA       SER  82  14.475  -5.518   2.031
  520   1HB   SER  82          1HB       SER  82  15.737  -4.486   3.883
  521   2HB   SER  82          2HB       SER  82  14.575  -5.144   5.034
  522    HG   SER  82           HG       SER  82  16.728  -6.316   4.081
  523    H    THR  83           H        THR  83  11.454  -5.234   3.141
  524    HA   THR  83           HA       THR  83  11.177  -8.140   3.523
  525    HB   THR  83           HB       THR  83  10.863  -7.025   5.678
  526    HG1  THR  83           HG1      THR  83   9.445  -8.561   5.937
  527   1HG2  THR  83          1HG2      THR  83   9.766  -4.970   4.277
  528   2HG2  THR  83          2HG2      THR  83   8.325  -5.748   4.931
  529   3HG2  THR  83          3HG2      THR  83   9.599  -5.193   6.018
  530    H    LYS  84           H        LYS  84  10.853  -6.392   1.127
  531    HA   LYS  84           HA       LYS  84   8.145  -6.003   0.507
  532   1HB   LYS  84          1HB       LYS  84  10.670  -6.222  -1.038
  533   2HB   LYS  84          2HB       LYS  84   9.178  -6.471  -1.933
  534   1HG   LYS  84          1HG       LYS  84   8.700  -4.299  -1.932
  535   2HG   LYS  84          2HG       LYS  84   9.064  -4.135  -0.213
  536   1HD   LYS  84          1HD       LYS  84  10.693  -2.799  -1.129
  537   2HD   LYS  84          2HD       LYS  84  11.545  -4.341  -1.038
  538   1HE   LYS  84          1HE       LYS  84  10.095  -3.334  -3.479
  539   2HE   LYS  84          2HE       LYS  84  11.826  -3.151  -3.206
  540   1HZ   LYS  84          1HZ       LYS  84  12.005  -5.575  -3.104
  541   2HZ   LYS  84          2HZ       LYS  84  10.352  -5.721  -3.432
  542   3HZ   LYS  84          3HZ       LYS  84  11.389  -5.058  -4.593
  543    HA   PRO  85           HA       PRO  85   6.177  -9.870  -0.302
  544   1HB   PRO  85          1HB       PRO  85   6.002  -9.045  -3.169
  545   2HB   PRO  85          2HB       PRO  85   4.746  -9.692  -2.107
  546   1HG   PRO  85          1HG       PRO  85   4.837  -7.092  -2.665
  547   2HG   PRO  85          2HG       PRO  85   4.412  -7.661  -1.040
  548   1HD   PRO  85          1HD       PRO  85   6.926  -6.410  -2.012
  549   2HD   PRO  85          2HD       PRO  85   6.172  -6.334  -0.408
  550    H    ALA  86           H        ALA  86   7.774 -11.386  -0.068
  551    HA   ALA  86           HA       ALA  86   8.835 -12.517  -2.510
  552   1HB   ALA  86          2HB       ALA  86  11.057 -12.369  -0.715
  553   2HB   ALA  86          3HB       ALA  86  10.436 -10.747  -1.017
  554   3HB   ALA  86          1HB       ALA  86  10.919 -11.771  -2.369

  No H/Q in entry =         554
  Start of MODEL   18
    1    H1   GLY  16           H1       GLY  16 -12.531  -6.434   9.735
    2    H2   GLY  16           H2       GLY  16 -13.564  -5.481   8.795
    3    H3   GLY  16           H3       GLY  16 -14.140  -6.206  10.210
    4   1HA   GLY  16          1HA       GLY  16 -14.848  -7.334   8.122
    5   2HA   GLY  16          2HA       GLY  16 -14.037  -8.363   9.291
    6    H    ARG  17           H        ARG  17 -13.917  -6.942   6.155
    7    HA   ARG  17           HA       ARG  17 -11.546  -8.569   5.572
    8   1HB   ARG  17          1HB       ARG  17 -13.989  -7.886   4.062
    9   2HB   ARG  17          2HB       ARG  17 -12.499  -7.931   3.125
   10   1HG   ARG  17          1HG       ARG  17 -12.456 -10.148   3.147
   11   2HG   ARG  17          2HG       ARG  17 -12.697 -10.195   4.896
   12   1HD   ARG  17          1HD       ARG  17 -14.689 -11.095   4.421
   13   2HD   ARG  17          2HD       ARG  17 -15.170  -9.457   3.982
   14    HE   ARG  17           HE       ARG  17 -14.062 -11.295   1.969
   15   1HH1  ARG  17          1HH1      ARG  17 -16.619  -9.228   3.124
   16   2HH1  ARG  17          2HH1      ARG  17 -17.518  -9.298   1.647
   17   1HH2  ARG  17          1HH2      ARG  17 -15.241 -11.394   0.020
   18   2HH2  ARG  17          2HH2      ARG  17 -16.735 -10.528  -0.118
   19    H    VAL  18           H        VAL  18  -9.939  -7.184   6.119
   20    HA   VAL  18           HA       VAL  18  -9.861  -4.506   4.989
   21    HB   VAL  18           HB       VAL  18  -7.552  -4.514   6.171
   22   1HG1  VAL  18          1HG1      VAL  18 -10.144  -4.671   7.704
   23   2HG1  VAL  18          2HG1      VAL  18  -8.634  -4.021   8.343
   24   3HG1  VAL  18          3HG1      VAL  18  -9.426  -3.232   6.979
   25   1HG2  VAL  18          1HG2      VAL  18  -7.496  -6.984   6.450
   26   2HG2  VAL  18          2HG2      VAL  18  -7.277  -6.098   7.958
   27   3HG2  VAL  18          3HG2      VAL  18  -8.832  -6.845   7.593
   28    H    ARG  19           H        ARG  19  -9.442  -4.552   2.839
   29    HA   ARG  19           HA       ARG  19  -6.848  -5.631   2.026
   30   1HB   ARG  19          1HB       ARG  19  -8.119  -6.347  -0.167
   31   2HB   ARG  19          2HB       ARG  19  -8.046  -7.421   1.223
   32   1HG   ARG  19          1HG       ARG  19 -10.289  -6.225   1.869
   33   2HG   ARG  19          2HG       ARG  19 -10.342  -5.871   0.141
   34   1HD   ARG  19          1HD       ARG  19  -9.755  -8.654   1.032
   35   2HD   ARG  19          2HD       ARG  19 -11.415  -8.066   1.110
   36    HE   ARG  19           HE       ARG  19  -9.914  -7.883  -1.406
   37   1HH1  ARG  19          1HH1      ARG  19 -12.578  -9.154   0.448
   38   2HH1  ARG  19          2HH1      ARG  19 -13.405  -9.788  -0.935
   39   1HH2  ARG  19          1HH2      ARG  19 -10.997  -8.714  -3.231
   40   2HH2  ARG  19          2HH2      ARG  19 -12.506  -9.539  -3.026
   41    H    TRP  20           H        TRP  20  -7.367  -2.994   2.508
   42    HA   TRP  20           HA       TRP  20  -7.115  -1.839  -0.161
   43   1HB   TRP  20          1HB       TRP  20  -8.950  -0.781   2.002
   44   2HB   TRP  20          2HB       TRP  20  -8.537   0.092   0.530
   45    HD1  TRP  20           HD1      TRP  20 -10.330  -3.151   1.628
   46    HE1  TRP  20           HE1      TRP  20 -12.061  -3.755  -0.190
   47    HE3  TRP  20           HE3      TRP  20  -9.260   0.514  -1.773
   48    HZ2  TRP  20           HZ2      TRP  20 -12.852  -2.797  -2.730
   49    HZ3  TRP  20           HZ3      TRP  20 -10.551   0.604  -3.865
   50    HH2  TRP  20           HH2      TRP  20 -12.315  -1.018  -4.330
   51    H    ALA  21           H        ALA  21  -5.994   0.255  -0.135
   52    HA   ALA  21           HA       ALA  21  -4.389   0.588   2.303
   53   1HB   ALA  21          1HB       ALA  21  -2.498   0.593   1.104
   54   2HB   ALA  21          2HB       ALA  21  -3.192   1.627  -0.144
   55   3HB   ALA  21          3HB       ALA  21  -3.461  -0.114  -0.192
   56    H    ARG  22           H        ARG  22  -5.312   2.303   3.298
   57    HA   ARG  22           HA       ARG  22  -5.953   4.639   1.640
   58   1HB   ARG  22          1HB       ARG  22  -7.875   4.164   2.871
   59   2HB   ARG  22          2HB       ARG  22  -6.967   3.693   4.303
   60   1HG   ARG  22          1HG       ARG  22  -6.258   6.202   4.331
   61   2HG   ARG  22          2HG       ARG  22  -7.687   6.414   3.316
   62   1HD   ARG  22          1HD       ARG  22  -9.015   5.231   5.063
   63   2HD   ARG  22          2HD       ARG  22  -7.579   5.231   6.087
   64    HE   ARG  22           HE       ARG  22  -7.743   7.787   5.703
   65   1HH1  ARG  22          1HH1      ARG  22 -10.423   5.588   6.067
   66   2HH1  ARG  22          2HH1      ARG  22 -11.472   6.782   6.756
   67   1HH2  ARG  22          1HH2      ARG  22  -9.118   9.361   6.606
   68   2HH2  ARG  22          2HH2      ARG  22 -10.731   8.925   7.064
   69    H    ALA  23           H        ALA  23  -4.313   5.926   1.473
   70    HA   ALA  23           HA       ALA  23  -2.255   6.070   3.470
   71   1HB   ALA  23          1HB       ALA  23  -1.163   6.430   1.561
   72   2HB   ALA  23          2HB       ALA  23  -2.620   6.959   0.720
   73   3HB   ALA  23          3HB       ALA  23  -1.716   8.097   1.717
   74    H    LEU  24           H        LEU  24  -2.298   7.287   5.197
   75    HA   LEU  24           HA       LEU  24  -4.117   9.551   5.391
   76   1HB   LEU  24          1HB       LEU  24  -2.198   8.878   7.564
   77   2HB   LEU  24          2HB       LEU  24  -3.865   9.408   7.675
   78    HG   LEU  24           HG       LEU  24  -3.218   6.665   6.652
   79   1HD1  LEU  24          1HD1      LEU  24  -3.210   7.614   9.493
   80   2HD1  LEU  24          2HD1      LEU  24  -3.666   5.961   9.079
   81   3HD1  LEU  24          3HD1      LEU  24  -2.060   6.562   8.666
   82   1HD2  LEU  24          1HD2      LEU  24  -5.586   8.111   7.727
   83   2HD2  LEU  24          2HD2      LEU  24  -5.457   7.020   6.347
   84   3HD2  LEU  24          3HD2      LEU  24  -5.466   6.370   7.985
   85    H    TYR  25           H        TYR  25  -0.861   8.769   4.820
   86    HA   TYR  25           HA       TYR  25  -0.133  11.604   4.644
   87   1HB   TYR  25          1HB       TYR  25   2.135   9.876   5.273
   88   2HB   TYR  25          2HB       TYR  25   1.672  11.415   5.983
   89    HD1  TYR  25           HD1      TYR  25   1.955   7.913   6.512
   90    HD2  TYR  25           HD2      TYR  25  -0.232  11.353   7.739
   91    HE1  TYR  25           HE1      TYR  25   1.317   6.762   8.588
   92    HE2  TYR  25           HE2      TYR  25  -0.881  10.205   9.815
   93    HH   TYR  25           HH       TYR  25  -1.049   8.069  10.766
   94    H    ASP  26           H        ASP  26   2.145  11.621   3.392
   95    HA   ASP  26           HA       ASP  26   1.663  10.943   0.773
   96   1HB   ASP  26          1HB       ASP  26   3.796  12.080   2.234
   97   2HB   ASP  26          2HB       ASP  26   4.492  10.801   1.245
   98    H    PHE  27           H        PHE  27   3.432   9.514  -0.480
   99    HA   PHE  27           HA       PHE  27   3.015   6.792   0.518
  100   1HB   PHE  27          1HB       PHE  27   3.238   6.068  -1.748
  101   2HB   PHE  27          2HB       PHE  27   2.183   7.480  -1.749
  102    HD1  PHE  27           HD1      PHE  27   2.964   9.615  -2.628
  103    HD2  PHE  27           HD2      PHE  27   5.395   6.124  -2.772
  104    HE1  PHE  27           HE1      PHE  27   4.422  10.708  -4.283
  105    HE2  PHE  27           HE2      PHE  27   6.859   7.213  -4.430
  106    HZ   PHE  27           HZ       PHE  27   6.373   9.506  -5.186
  107    H    GLU  28           H        GLU  28   4.639   5.266   0.623
  108    HA   GLU  28           HA       GLU  28   7.354   6.348   0.833
  109   1HB   GLU  28          1HB       GLU  28   6.305   3.670   1.751
  110   2HB   GLU  28          2HB       GLU  28   7.875   4.366   2.125
  111   1HG   GLU  28          1HG       GLU  28   5.829   6.191   2.903
  112   2HG   GLU  28          2HG       GLU  28   5.478   4.598   3.567
  113    H    ALA  29           H        ALA  29   5.712   5.207  -1.631
  114    HA   ALA  29           HA       ALA  29   7.228   2.964  -2.497
  115   1HB   ALA  29          2HB       ALA  29   5.634   2.872  -4.035
  116   2HB   ALA  29          3HB       ALA  29   4.984   4.391  -3.420
  117   3HB   ALA  29          1HB       ALA  29   6.171   4.404  -4.725
  118    H    LEU  30           H        LEU  30   9.377   3.184  -2.632
  119    HA   LEU  30           HA       LEU  30  10.447   5.484  -4.125
  120   1HB   LEU  30          1HB       LEU  30  12.226   3.727  -2.512
  121   2HB   LEU  30          2HB       LEU  30  12.346   5.445  -2.835
  122    HG   LEU  30           HG       LEU  30  10.322   4.224  -0.957
  123   1HD1  LEU  30          1HD1      LEU  30  12.979   4.231  -0.490
  124   2HD1  LEU  30          2HD1      LEU  30  12.541   5.829   0.116
  125   3HD1  LEU  30          3HD1      LEU  30  11.753   4.391   0.768
  126   1HD2  LEU  30          1HD2      LEU  30   9.874   6.479  -2.063
  127   2HD2  LEU  30          2HD2      LEU  30   9.805   6.417  -0.303
  128   3HD2  LEU  30          3HD2      LEU  30  11.226   7.085  -1.107
  129    H    GLU  31           H        GLU  31   9.754   2.234  -4.384
  130    HA   GLU  31           HA       GLU  31  11.986   1.679  -6.202
  131   1HB   GLU  31          1HB       GLU  31   9.828  -0.143  -5.129
  132   2HB   GLU  31          2HB       GLU  31  11.136  -0.646  -6.191
  133   1HG   GLU  31          1HG       GLU  31  12.159   0.743  -3.889
  134   2HG   GLU  31          2HG       GLU  31  11.135  -0.609  -3.412
  135    H    GLU  32           H        GLU  32  11.486   0.548  -8.255
  136    HA   GLU  32           HA       GLU  32   9.645   2.087  -9.782
  137   1HB   GLU  32          1HB       GLU  32  10.288   0.403 -11.611
  138   2HB   GLU  32          2HB       GLU  32  11.559   1.425 -10.957
  139   1HG   GLU  32          1HG       GLU  32  11.393  -0.979  -9.423
  140   2HG   GLU  32          2HG       GLU  32  11.503  -1.375 -11.138
  141    H    ASP  33           H        ASP  33   9.702  -1.303  -8.726
  142    HA   ASP  33           HA       ASP  33   7.121  -1.855  -9.891
  143   1HB   ASP  33          1HB       ASP  33   9.286  -3.392  -8.843
  144   2HB   ASP  33          2HB       ASP  33   7.824  -3.832  -7.962
  145    H    GLU  34           H        GLU  34   7.374   0.293  -7.874
  146    HA   GLU  34           HA       GLU  34   5.546  -0.775  -5.830
  147   1HB   GLU  34          1HB       GLU  34   7.917   0.879  -5.632
  148   2HB   GLU  34          2HB       GLU  34   6.525   1.679  -4.916
  149   1HG   GLU  34          1HG       GLU  34   7.424   0.514  -3.141
  150   2HG   GLU  34          2HG       GLU  34   6.137  -0.553  -3.700
  151    H    LEU  35           H        LEU  35   3.937   0.745  -5.014
  152    HA   LEU  35           HA       LEU  35   3.037   2.620  -7.100
  153   1HB   LEU  35          1HB       LEU  35   1.445   0.905  -7.072
  154   2HB   LEU  35          2HB       LEU  35   1.522   0.734  -5.329
  155    HG   LEU  35           HG       LEU  35   0.457   3.054  -5.207
  156   1HD1  LEU  35          1HD1      LEU  35   0.731   2.788  -8.037
  157   2HD1  LEU  35          2HD1      LEU  35  -0.979   2.906  -7.621
  158   3HD1  LEU  35          3HD1      LEU  35   0.144   4.161  -7.098
  159   1HD2  LEU  35          1HD2      LEU  35  -0.709   0.931  -4.724
  160   2HD2  LEU  35          2HD2      LEU  35  -1.769   2.151  -5.430
  161   3HD2  LEU  35          3HD2      LEU  35  -1.165   0.823  -6.424
  162    H    GLY  36           H        GLY  36   2.455   4.664  -6.493
  163   1HA   GLY  36          1HA       GLY  36   3.302   6.373  -4.952
  164   2HA   GLY  36          2HA       GLY  36   2.844   5.301  -3.642
  165    H    PHE  37           H        PHE  37   1.314   6.280  -2.551
  166    HA   PHE  37           HA       PHE  37  -0.978   7.415  -4.014
  167   1HB   PHE  37          1HB       PHE  37  -1.988   6.924  -1.551
  168   2HB   PHE  37          2HB       PHE  37  -2.111   5.795  -2.895
  169    HD1  PHE  37           HD1      PHE  37   0.500   6.700  -0.376
  170    HD2  PHE  37           HD2      PHE  37  -1.739   3.627  -2.285
  171    HE1  PHE  37           HE1      PHE  37   1.686   5.012   0.963
  172    HE2  PHE  37           HE2      PHE  37  -0.557   1.933  -0.950
  173    HZ   PHE  37           HZ       PHE  37   1.157   2.625   0.677
  174    H    ARG  38           H        ARG  38  -2.280   8.829  -2.243
  175    HA   ARG  38           HA       ARG  38  -0.324  10.565  -0.897
  176   1HB   ARG  38          1HB       ARG  38  -2.662  11.521  -2.555
  177   2HB   ARG  38          2HB       ARG  38  -1.564  12.543  -1.638
  178   1HG   ARG  38          1HG       ARG  38  -0.320  12.704  -3.453
  179   2HG   ARG  38          2HG       ARG  38   0.089  11.005  -3.243
  180   1HD   ARG  38          1HD       ARG  38  -0.740  11.463  -5.500
  181   2HD   ARG  38          2HD       ARG  38  -1.797  10.354  -4.627
  182    HE   ARG  38           HE       ARG  38  -3.290  12.271  -4.256
  183   1HH1  ARG  38          1HH1      ARG  38  -0.921  12.468  -6.804
  184   2HH1  ARG  38          2HH1      ARG  38  -1.801  13.656  -7.705
  185   1HH2  ARG  38          1HH2      ARG  38  -4.455  13.836  -5.439
  186   2HH2  ARG  38          2HH2      ARG  38  -3.807  14.434  -6.930
  187    H    SER  39           H        SER  39  -1.578  12.228   0.530
  188    HA   SER  39           HA       SER  39  -2.835  10.833   2.583
  189   1HB   SER  39          1HB       SER  39  -1.752  13.027   2.883
  190   2HB   SER  39          2HB       SER  39  -3.044  13.788   1.955
  191    HG   SER  39           HG       SER  39  -3.838  12.221   4.098
  192    H    GLY  40           H        GLY  40  -4.939  10.520   3.200
  193   1HA   GLY  40          1HA       GLY  40  -7.214  11.729   2.146
  194   2HA   GLY  40          2HA       GLY  40  -7.186  10.159   2.932
  195    H    GLU  41           H        GLU  41  -5.709   8.643   1.179
  196    HA   GLU  41           HA       GLU  41  -7.462   8.653  -1.186
  197   1HB   GLU  41          1HB       GLU  41  -4.494   8.087  -1.168
  198   2HB   GLU  41          2HB       GLU  41  -5.551   7.878  -2.556
  199   1HG   GLU  41          1HG       GLU  41  -5.179  10.510  -1.159
  200   2HG   GLU  41          2HG       GLU  41  -4.185   9.984  -2.517
  201    H    VAL  42           H        VAL  42  -8.297   6.737  -1.794
  202    HA   VAL  42           HA       VAL  42  -7.685   4.434  -0.086
  203    HB   VAL  42           HB       VAL  42  -9.998   4.636  -2.005
  204   1HG1  VAL  42          1HG1      VAL  42  -9.366   2.415  -1.085
  205   2HG1  VAL  42          2HG1      VAL  42  -9.674   3.044   0.534
  206   3HG1  VAL  42          3HG1      VAL  42 -10.990   2.934  -0.635
  207   1HG2  VAL  42          1HG2      VAL  42  -9.705   5.784   0.740
  208   2HG2  VAL  42          2HG2      VAL  42 -10.458   6.483  -0.693
  209   3HG2  VAL  42          3HG2      VAL  42 -11.274   5.194   0.191
  210    H    VAL  43           H        VAL  43  -6.970   2.517  -0.869
  211    HA   VAL  43           HA       VAL  43  -6.575   2.266  -3.779
  212    HB   VAL  43           HB       VAL  43  -4.564   1.367  -1.712
  213   1HG1  VAL  43          1HG1      VAL  43  -4.643   1.360  -4.707
  214   2HG1  VAL  43          2HG1      VAL  43  -3.109   1.360  -3.837
  215   3HG1  VAL  43          3HG1      VAL  43  -4.257   0.043  -3.599
  216   1HG2  VAL  43          1HG2      VAL  43  -5.060   3.996  -2.621
  217   2HG2  VAL  43          2HG2      VAL  43  -3.726   3.418  -1.622
  218   3HG2  VAL  43          3HG2      VAL  43  -3.563   3.451  -3.378
  219    H    GLU  44           H        GLU  44  -6.796   0.180  -4.623
  220    HA   GLU  44           HA       GLU  44  -8.153  -1.695  -2.849
  221   1HB   GLU  44          1HB       GLU  44  -9.208  -1.227  -4.993
  222   2HB   GLU  44          2HB       GLU  44  -7.759  -1.735  -5.845
  223   1HG   GLU  44          1HG       GLU  44  -8.275  -3.942  -4.375
  224   2HG   GLU  44          2HG       GLU  44  -9.907  -3.331  -4.648
  225    H    VAL  45           H        VAL  45  -6.918  -3.068  -1.746
  226    HA   VAL  45           HA       VAL  45  -4.306  -3.834  -2.686
  227    HB   VAL  45           HB       VAL  45  -5.860  -4.665  -0.239
  228   1HG1  VAL  45          1HG1      VAL  45  -3.301  -5.665  -1.360
  229   2HG1  VAL  45          2HG1      VAL  45  -3.388  -5.413   0.384
  230   3HG1  VAL  45          3HG1      VAL  45  -4.526  -6.503  -0.408
  231   1HG2  VAL  45          1HG2      VAL  45  -3.727  -2.658  -0.811
  232   2HG2  VAL  45          2HG2      VAL  45  -5.193  -2.496   0.155
  233   3HG2  VAL  45          3HG2      VAL  45  -3.817  -3.402   0.786
  234    H    LEU  46           H        LEU  46  -3.707  -5.703  -3.622
  235    HA   LEU  46           HA       LEU  46  -5.831  -7.670  -4.154
  236   1HB   LEU  46          1HB       LEU  46  -3.626  -6.556  -5.790
  237   2HB   LEU  46          2HB       LEU  46  -3.988  -8.259  -6.017
  238    HG   LEU  46           HG       LEU  46  -6.416  -6.692  -6.056
  239   1HD1  LEU  46          1HD1      LEU  46  -4.760  -4.963  -6.845
  240   2HD1  LEU  46          2HD1      LEU  46  -4.446  -6.014  -8.225
  241   3HD1  LEU  46          3HD1      LEU  46  -6.061  -5.350  -7.972
  242   1HD2  LEU  46          1HD2      LEU  46  -6.183  -8.964  -6.917
  243   2HD2  LEU  46          2HD2      LEU  46  -6.715  -7.855  -8.181
  244   3HD2  LEU  46          3HD2      LEU  46  -5.037  -8.394  -8.130
  245    H    ASP  47           H        ASP  47  -2.915  -7.187  -2.513
  246    HA   ASP  47           HA       ASP  47  -2.787 -10.014  -1.856
  247   1HB   ASP  47          1HB       ASP  47  -0.877  -8.722  -3.621
  248   2HB   ASP  47          2HB       ASP  47  -0.091  -9.389  -2.194
  249    H    SER  48           H        SER  48  -3.672  -8.747   0.044
  250    HA   SER  48           HA       SER  48  -1.852  -7.165   1.608
  251   1HB   SER  48          1HB       SER  48  -3.723  -7.835   3.405
  252   2HB   SER  48          2HB       SER  48  -4.000  -6.592   2.184
  253    HG   SER  48           HG       SER  48  -4.975  -8.236   0.888
  254    H    SER  49           H        SER  49  -1.855 -10.396   0.931
  255    HA   SER  49           HA       SER  49  -1.220 -11.329   3.572
  256   1HB   SER  49          1HB       SER  49  -2.095 -12.802   1.703
  257   2HB   SER  49          2HB       SER  49  -0.513 -12.651   0.939
  258    HG   SER  49           HG       SER  49  -1.232 -13.971   3.309
  259    H    ASN  50           H        ASN  50   0.495 -10.691   4.549
  260    HA   ASN  50           HA       ASN  50   3.108 -11.153   4.062
  261   1HB   ASN  50          1HB       ASN  50   2.135  -8.900   2.469
  262   2HB   ASN  50          2HB       ASN  50   3.540  -8.499   3.450
  263   1HD2  ASN  50          1HD2      ASN  50   2.858  -9.102   0.491
  264   2HD2  ASN  50          2HD2      ASN  50   4.167 -10.108  -0.005
  265    HA   PRO  51           HA       PRO  51   3.013  -9.037   7.952
  266   1HB   PRO  51          1HB       PRO  51   5.571  -9.199   8.694
  267   2HB   PRO  51          2HB       PRO  51   4.594 -10.651   8.452
  268   1HG   PRO  51          1HG       PRO  51   6.714  -9.491   6.725
  269   2HG   PRO  51          2HG       PRO  51   6.250 -11.183   6.953
  270   1HD   PRO  51          1HD       PRO  51   5.475  -9.457   4.831
  271   2HD   PRO  51          2HD       PRO  51   4.874 -11.095   5.156
  272    H    SER  52           H        SER  52   4.005  -7.349   5.340
  273    HA   SER  52           HA       SER  52   4.101  -4.888   6.745
  274   1HB   SER  52          1HB       SER  52   6.641  -6.234   6.297
  275   2HB   SER  52          2HB       SER  52   6.601  -4.629   5.567
  276    HG   SER  52           HG       SER  52   5.967  -5.247   8.265
  277    H    TRP  53           H        TRP  53   5.575  -6.206   3.762
  278    HA   TRP  53           HA       TRP  53   4.433  -3.958   2.279
  279   1HB   TRP  53          1HB       TRP  53   6.643  -5.905   1.790
  280   2HB   TRP  53          2HB       TRP  53   5.861  -5.158   0.404
  281    HD1  TRP  53           HD1      TRP  53   8.185  -4.370   3.316
  282    HE1  TRP  53           HE1      TRP  53   9.230  -2.049   2.933
  283    HE3  TRP  53           HE3      TRP  53   5.394  -2.873  -0.694
  284    HZ2  TRP  53           HZ2      TRP  53   8.913   0.128   1.163
  285    HZ3  TRP  53           HZ3      TRP  53   5.826  -0.659  -1.671
  286    HH2  TRP  53           HH2      TRP  53   7.549   0.809  -0.763
  287    H    TRP  54           H        TRP  54   2.554  -4.195   1.245
  288    HA   TRP  54           HA       TRP  54   1.801  -6.895   0.322
  289   1HB   TRP  54          1HB       TRP  54  -0.102  -4.597   0.813
  290   2HB   TRP  54          2HB       TRP  54  -0.508  -6.271   0.456
  291    HD1  TRP  54           HD1      TRP  54   1.781  -7.238   2.751
  292    HE1  TRP  54           HE1      TRP  54   0.921  -7.287   5.169
  293    HE3  TRP  54           HE3      TRP  54  -2.240  -4.137   2.243
  294    HZ2  TRP  54           HZ2      TRP  54  -1.170  -6.140   6.680
  295    HZ3  TRP  54           HZ3      TRP  54  -3.619  -3.656   4.223
  296    HH2  TRP  54           HH2      TRP  54  -3.094  -4.639   6.396
  297    H    THR  55           H        THR  55   0.983  -7.143  -1.771
  298    HA   THR  55           HA       THR  55   1.774  -5.031  -3.624
  299    HB   THR  55           HB       THR  55   0.746  -7.794  -4.294
  300    HG1  THR  55           HG1      THR  55   2.675  -7.953  -3.092
  301   1HG2  THR  55          1HG2      THR  55   1.314  -5.518  -5.882
  302   2HG2  THR  55          2HG2      THR  55   2.586  -6.703  -6.184
  303   3HG2  THR  55          3HG2      THR  55   0.895  -7.145  -6.419
  304    H    GLY  56           H        GLY  56   0.323  -3.563  -4.243
  305   1HA   GLY  56          1HA       GLY  56  -2.207  -3.139  -3.680
  306   2HA   GLY  56          2HA       GLY  56  -2.411  -4.442  -4.842
  307    H    ARG  57           H        ARG  57  -3.673  -2.250  -5.552
  308    HA   ARG  57           HA       ARG  57  -1.916  -0.574  -7.153
  309   1HB   ARG  57          1HB       ARG  57  -3.075  -1.003  -9.244
  310   2HB   ARG  57          2HB       ARG  57  -2.392  -2.495  -8.606
  311   1HG   ARG  57          1HG       ARG  57  -4.468  -3.379  -8.104
  312   2HG   ARG  57          2HG       ARG  57  -5.236  -1.791  -8.025
  313   1HD   ARG  57          1HD       ARG  57  -5.811  -1.900 -10.167
  314   2HD   ARG  57          2HD       ARG  57  -4.143  -2.215 -10.642
  315    HE   ARG  57           HE       ARG  57  -5.103  -4.609  -9.689
  316   1HH1  ARG  57          1HH1      ARG  57  -5.979  -2.373 -12.214
  317   2HH1  ARG  57          2HH1      ARG  57  -6.630  -3.598 -13.251
  318   1HH2  ARG  57          1HH2      ARG  57  -5.962  -6.230 -11.049
  319   2HH2  ARG  57          2HH2      ARG  57  -6.622  -5.788 -12.588
  320    H    LEU  58           H        LEU  58  -2.684   1.425  -7.572
  321    HA   LEU  58           HA       LEU  58  -5.233   2.145  -6.313
  322   1HB   LEU  58          1HB       LEU  58  -2.884   3.269  -5.887
  323   2HB   LEU  58          2HB       LEU  58  -3.264   4.143  -7.357
  324    HG   LEU  58           HG       LEU  58  -5.008   4.132  -4.890
  325   1HD1  LEU  58          1HD1      LEU  58  -2.631   5.669  -5.584
  326   2HD1  LEU  58          2HD1      LEU  58  -4.030   6.668  -5.193
  327   3HD1  LEU  58          3HD1      LEU  58  -3.447   5.474  -4.033
  328   1HD2  LEU  58          1HD2      LEU  58  -6.115   4.558  -7.102
  329   2HD2  LEU  58          2HD2      LEU  58  -6.235   5.880  -5.940
  330   3HD2  LEU  58          3HD2      LEU  58  -5.081   5.977  -7.269
  331    H    HIS  59           H        HIS  59  -6.904   2.215  -7.626
  332    HA   HIS  59           HA       HIS  59  -8.237   2.440  -9.404
  333   1HB   HIS  59          1HB       HIS  59  -8.285   4.508 -10.472
  334   2HB   HIS  59          2HB       HIS  59  -7.527   4.843  -8.927
  335    HD1  HIS  59           HD1      HIS  59  -6.598   4.380 -12.572
  336    HD2  HIS  59           HD2      HIS  59  -5.133   6.128  -9.099
  337    HE1  HIS  59           HE1      HIS  59  -4.594   5.720 -13.286
  338    HE2  HIS  59           HE2      HIS  59  -3.794   6.859 -11.187
  339    H    ASN  60           H        ASN  60  -5.039   3.122 -10.948
  340    HA   ASN  60           HA       ASN  60  -5.419   0.710 -12.528
  341   1HB   ASN  60          1HB       ASN  60  -6.357   2.950 -13.637
  342   2HB   ASN  60          2HB       ASN  60  -4.668   3.121 -14.102
  343   1HD2  ASN  60          1HD2      ASN  60  -4.748   2.705 -16.208
  344   2HD2  ASN  60          2HD2      ASN  60  -5.325   1.236 -16.902
  345    H    LYS  61           H        LYS  61  -3.451   2.244 -10.583
  346    HA   LYS  61           HA       LYS  61  -1.012   1.656 -12.125
  347   1HB   LYS  61          1HB       LYS  61  -1.286   3.330  -9.619
  348   2HB   LYS  61          2HB       LYS  61   0.176   3.107 -10.566
  349   1HG   LYS  61          1HG       LYS  61  -0.618   4.418 -12.324
  350   2HG   LYS  61          2HG       LYS  61  -2.290   4.302 -11.774
  351   1HD   LYS  61          1HD       LYS  61  -1.790   6.412 -11.047
  352   2HD   LYS  61          2HD       LYS  61  -1.291   5.487  -9.630
  353   1HE   LYS  61          1HE       LYS  61   0.887   5.958  -9.934
  354   2HE   LYS  61          2HE       LYS  61   0.779   5.798 -11.687
  355   1HZ   LYS  61          1HZ       LYS  61  -0.169   8.147 -10.138
  356   2HZ   LYS  61          2HZ       LYS  61   1.301   8.068 -10.973
  357   3HZ   LYS  61          3HZ       LYS  61  -0.160   7.995 -11.823
  358    H    LEU  62           H        LEU  62   0.119  -0.103 -11.547
  359    HA   LEU  62           HA       LEU  62  -0.611  -1.418  -9.027
  360   1HB   LEU  62          1HB       LEU  62   0.720  -2.481 -11.514
  361   2HB   LEU  62          2HB       LEU  62   0.490  -3.420 -10.051
  362    HG   LEU  62           HG       LEU  62  -2.042  -2.367 -10.733
  363   1HD1  LEU  62          1HD1      LEU  62  -0.516  -2.445 -13.036
  364   2HD1  LEU  62          2HD1      LEU  62  -1.404  -3.969 -13.064
  365   3HD1  LEU  62          3HD1      LEU  62  -2.278  -2.441 -12.944
  366   1HD2  LEU  62          1HD2      LEU  62  -0.891  -4.761  -9.931
  367   2HD2  LEU  62          2HD2      LEU  62  -2.608  -4.450 -10.193
  368   3HD2  LEU  62          3HD2      LEU  62  -1.626  -5.129 -11.491
  369    H    GLY  63           H        GLY  63   0.886  -2.076  -7.538
  370   1HA   GLY  63          1HA       GLY  63   3.302  -0.535  -7.416
  371   2HA   GLY  63          2HA       GLY  63   3.601  -2.238  -7.722
  372    H    LEU  64           H        LEU  64   4.735  -2.289  -5.710
  373    HA   LEU  64           HA       LEU  64   3.108  -3.182  -3.552
  374   1HB   LEU  64          1HB       LEU  64   5.958  -2.495  -3.080
  375   2HB   LEU  64          2HB       LEU  64   5.050  -3.907  -2.583
  376    HG   LEU  64           HG       LEU  64   5.974  -3.420  -5.411
  377   1HD1  LEU  64          1HD1      LEU  64   7.725  -3.785  -3.492
  378   2HD1  LEU  64          2HD1      LEU  64   7.196  -5.462  -3.624
  379   3HD1  LEU  64          3HD1      LEU  64   7.874  -4.639  -5.028
  380   1HD2  LEU  64          1HD2      LEU  64   3.995  -5.064  -4.540
  381   2HD2  LEU  64          2HD2      LEU  64   4.979  -5.352  -5.976
  382   3HD2  LEU  64          3HD2      LEU  64   5.396  -6.131  -4.449
  383    H    PHE  65           H        PHE  65   3.026  -2.300  -1.396
  384    HA   PHE  65           HA       PHE  65   3.783   0.506  -1.116
  385   1HB   PHE  65          1HB       PHE  65   1.666   1.346  -0.728
  386   2HB   PHE  65          2HB       PHE  65   1.325   0.155  -1.982
  387    HD1  PHE  65           HD1      PHE  65  -0.018  -1.776  -1.504
  388    HD2  PHE  65           HD2      PHE  65   1.096   0.915   1.593
  389    HE1  PHE  65           HE1      PHE  65  -1.653  -2.835  -0.002
  390    HE2  PHE  65           HE2      PHE  65  -0.522  -0.130   3.101
  391    HZ   PHE  65           HZ       PHE  65  -1.909  -2.014   2.309
  392    HA   PRO  66           HA       PRO  66   4.532  -0.711   3.082
  393   1HB   PRO  66          1HB       PRO  66   4.461   1.601   4.387
  394   2HB   PRO  66          2HB       PRO  66   5.652   1.340   3.104
  395   1HG   PRO  66          1HG       PRO  66   3.033   2.793   2.980
  396   2HG   PRO  66          2HG       PRO  66   4.609   3.296   2.356
  397   1HD   PRO  66          1HD       PRO  66   2.671   2.144   0.810
  398   2HD   PRO  66          2HD       PRO  66   4.404   2.031   0.463
  399    H    ALA  67           H        ALA  67   2.925  -1.994   3.943
  400    HA   ALA  67           HA       ALA  67   0.286  -1.091   4.471
  401   1HB   ALA  67          2HB       ALA  67   1.725  -3.467   5.646
  402   2HB   ALA  67          1HB       ALA  67   0.839  -3.459   4.121
  403   3HB   ALA  67          3HB       ALA  67  -0.018  -3.197   5.640
  404    H    ASN  68           H        ASN  68   3.214  -0.576   6.050
  405    HA   ASN  68           HA       ASN  68   2.077  -0.269   8.700
  406   1HB   ASN  68          1HB       ASN  68   4.183  -0.714   9.302
  407   2HB   ASN  68          2HB       ASN  68   4.693  -0.667   7.620
  408   1HD2  ASN  68          1HD2      ASN  68   4.972   1.632   6.754
  409   2HD2  ASN  68          2HD2      ASN  68   5.807   2.727   7.797
  410    H    TYR  69           H        TYR  69   2.757   1.656   5.923
  411    HA   TYR  69           HA       TYR  69   2.698   4.167   7.358
  412   1HB   TYR  69          1HB       TYR  69   3.833   3.433   4.999
  413   2HB   TYR  69          2HB       TYR  69   2.358   4.210   4.429
  414    HD1  TYR  69           HD1      TYR  69   5.064   4.827   6.933
  415    HD2  TYR  69           HD2      TYR  69   2.488   6.466   3.972
  416    HE1  TYR  69           HE1      TYR  69   6.118   7.027   7.245
  417    HE2  TYR  69           HE2      TYR  69   3.538   8.671   4.272
  418    HH   TYR  69           HH       TYR  69   4.976   9.724   6.588
  419    H    VAL  70           H        VAL  70   0.570   2.342   5.181
  420    HA   VAL  70           HA       VAL  70  -1.620   4.143   6.010
  421    HB   VAL  70           HB       VAL  70  -2.509   4.226   3.902
  422   1HG1  VAL  70          1HG1      VAL  70   0.422   3.788   3.360
  423   2HG1  VAL  70          2HG1      VAL  70  -0.713   4.583   2.271
  424   3HG1  VAL  70          3HG1      VAL  70  -0.339   5.306   3.835
  425   1HG2  VAL  70          1HG2      VAL  70  -1.202   1.568   3.434
  426   2HG2  VAL  70          2HG2      VAL  70  -2.913   1.989   3.371
  427   3HG2  VAL  70          3HG2      VAL  70  -1.824   2.533   2.095
  428    H    ALA  71           H        ALA  71  -3.721   3.212   6.225
  429    HA   ALA  71           HA       ALA  71  -3.671   0.296   6.689
  430   1HB   ALA  71          1HB       ALA  71  -5.661   1.844   8.188
  431   2HB   ALA  71          2HB       ALA  71  -4.599   0.540   8.718
  432   3HB   ALA  71          3HB       ALA  71  -3.982   2.188   8.608
  433    HA   PRO  72           HA       PRO  72  -7.002  -0.337   3.892
  434   1HB   PRO  72          1HB       PRO  72  -8.293  -1.978   6.004
  435   2HB   PRO  72          2HB       PRO  72  -7.883  -2.401   4.336
  436   1HG   PRO  72          1HG       PRO  72  -6.425  -3.332   6.327
  437   2HG   PRO  72          2HG       PRO  72  -5.641  -2.761   4.842
  438   1HD   PRO  72          1HD       PRO  72  -5.898  -1.378   7.494
  439   2HD   PRO  72          2HD       PRO  72  -4.500  -1.462   6.400
  440    H    MET  73           H        MET  73  -9.482  -0.538   3.873
  441    HA   MET  73           HA       MET  73 -10.796   1.263   5.740
  442   1HB   MET  73          1HB       MET  73  -9.719   2.467   3.680
  443   2HB   MET  73          2HB       MET  73 -11.094   1.800   2.812
  444   1HG   MET  73          1HG       MET  73 -12.432   2.881   4.818
  445   2HG   MET  73          2HG       MET  73 -11.002   3.907   4.899
  446   1HE   MET  73          1HE       MET  73 -14.060   2.744   2.927
  447   2HE   MET  73          2HE       MET  73 -13.995   3.654   1.418
  448   3HE   MET  73          3HE       MET  73 -12.873   2.322   1.693
  449    H    MET  74           H        MET  74 -12.268  -0.250   6.383
  450    HA   MET  74           HA       MET  74 -13.545  -2.054   4.583
  451   1HB   MET  74          1HB       MET  74 -13.339  -2.782   6.826
  452   2HB   MET  74          2HB       MET  74 -14.039  -1.296   7.457
  453   1HG   MET  74          1HG       MET  74 -15.992  -2.408   5.791
  454   2HG   MET  74          2HG       MET  74 -15.322  -3.751   6.714
  455   1HE   MET  74          1HE       MET  74 -16.701  -4.496   8.605
  456   2HE   MET  74          2HE       MET  74 -18.012  -3.530   9.280
  457   3HE   MET  74          3HE       MET  74 -17.984  -3.895   7.555
  458    H    ARG  75           H        ARG  75 -14.841  -1.297   3.041
  459    HA   ARG  75           HA       ARG  75 -16.301   1.106   3.170
  460   1HB   ARG  75          1HB       ARG  75 -16.643  -1.311   1.389
  461   2HB   ARG  75          2HB       ARG  75 -17.483   0.216   1.153
  462   1HG   ARG  75          1HG       ARG  75 -15.412   1.358   0.750
  463   2HG   ARG  75          2HG       ARG  75 -14.489  -0.089   1.158
  464   1HD   ARG  75          1HD       ARG  75 -14.501  -0.104  -1.166
  465   2HD   ARG  75          2HD       ARG  75 -15.812  -1.206  -0.747
  466    HE   ARG  75           HE       ARG  75 -17.371   0.538  -1.314
  467   1HH1  ARG  75          1HH1      ARG  75 -14.060   1.112  -2.228
  468   2HH1  ARG  75          2HH1      ARG  75 -14.460   2.281  -3.442
  469   1HH2  ARG  75          1HH2      ARG  75 -17.911   2.076  -2.911
  470   2HH2  ARG  75          2HH2      ARG  75 -16.650   2.830  -3.830
  471    H1   ALA  76           H1       ALA  76   6.041   8.068  13.059
  472    H2   ALA  76           H2       ALA  76   7.599   8.649  12.748
  473    H3   ALA  76           H3       ALA  76   6.267   9.685  12.620
  474    HA   ALA  76           HA       ALA  76   5.435   8.550  10.732
  475   1HB   ALA  76          1HB       ALA  76   8.396   9.064  10.507
  476   2HB   ALA  76          3HB       ALA  76   7.097  10.231  10.257
  477   3HB   ALA  76          2HB       ALA  76   7.296   8.880   9.141
  478    HA   PRO  77           HA       PRO  77   6.022   4.087  11.265
  479   1HB   PRO  77          1HB       PRO  77   4.443   4.269   8.733
  480   2HB   PRO  77          2HB       PRO  77   4.212   3.208  10.127
  481   1HG   PRO  77          1HG       PRO  77   2.641   5.319   9.772
  482   2HG   PRO  77          2HG       PRO  77   3.203   4.871  11.392
  483   1HD   PRO  77          1HD       PRO  77   4.095   7.097   9.626
  484   2HD   PRO  77          2HD       PRO  77   3.987   7.032  11.396
  485    H    SER  78           H        SER  78   8.137   3.701  10.774
  486    HA   SER  78           HA       SER  78   9.115   4.151   8.078
  487   1HB   SER  78          1HB       SER  78  10.490   4.695  10.097
  488   2HB   SER  78          2HB       SER  78  10.580   2.967  10.443
  489    HG   SER  78           HG       SER  78  11.969   2.713   8.861
  490    H    ILE  79           H        ILE  79   8.958   2.716   6.551
  491    HA   ILE  79           HA       ILE  79   8.619  -0.106   7.275
  492    HB   ILE  79           HB       ILE  79   7.276   1.587   5.410
  493   1HG1  ILE  79          1HG1      ILE  79   6.469  -0.250   7.029
  494   2HG1  ILE  79          2HG1      ILE  79   5.647  -0.079   5.486
  495   1HG2  ILE  79          1HG2      ILE  79   8.956   0.860   3.774
  496   2HG2  ILE  79          2HG2      ILE  79   8.531  -0.820   4.100
  497   3HG2  ILE  79          3HG2      ILE  79   7.342   0.267   3.383
  498   1HD1  ILE  79          1HD1      ILE  79   7.794  -2.106   6.075
  499   2HD1  ILE  79          2HD1      ILE  79   6.058  -2.421   6.123
  500   3HD1  ILE  79          3HD1      ILE  79   6.834  -1.982   4.601
  501    H    ASP  80           H        ASP  80   9.979  -1.644   6.554
  502    HA   ASP  80           HA       ASP  80  12.409  -0.742   5.188
  503   1HB   ASP  80          1HB       ASP  80  12.217  -2.202   7.419
  504   2HB   ASP  80          2HB       ASP  80  12.167  -3.514   6.248
  505    H    ARG  81           H        ARG  81  12.917  -1.361   3.169
  506    HA   ARG  81           HA       ARG  81  10.964  -2.789   1.620
  507   1HB   ARG  81          1HB       ARG  81  13.660  -2.189   0.506
  508   2HB   ARG  81          2HB       ARG  81  12.078  -2.038  -0.243
  509   1HG   ARG  81          1HG       ARG  81  12.070  -0.176   1.826
  510   2HG   ARG  81          2HG       ARG  81  13.674  -0.054   1.101
  511   1HD   ARG  81          1HD       ARG  81  12.744   1.221  -0.475
  512   2HD   ARG  81          2HD       ARG  81  11.950  -0.237  -1.067
  513    HE   ARG  81           HE       ARG  81   9.992   0.695  -0.406
  514   1HH1  ARG  81          1HH1      ARG  81  12.519   1.989   1.624
  515   2HH1  ARG  81          2HH1      ARG  81  11.444   2.993   2.536
  516   1HH2  ARG  81          1HH2      ARG  81   8.577   2.014   0.796
  517   2HH2  ARG  81          2HH2      ARG  81   9.207   3.007   2.068
  518    H    SER  82           H        SER  82  13.409  -3.795   3.611
  519    HA   SER  82           HA       SER  82  14.413  -5.981   2.044
  520   1HB   SER  82          1HB       SER  82  15.599  -4.753   3.979
  521   2HB   SER  82          2HB       SER  82  14.631  -5.776   5.039
  522    HG   SER  82           HG       SER  82  16.852  -6.389   3.628
  523    H    THR  83           H        THR  83  11.443  -5.528   3.233
  524    HA   THR  83           HA       THR  83  11.068  -8.403   3.755
  525    HB   THR  83           HB       THR  83  10.836  -7.159   5.861
  526    HG1  THR  83           HG1      THR  83   9.527  -8.946   5.737
  527   1HG2  THR  83          1HG2      THR  83   9.722  -5.172   4.353
  528   2HG2  THR  83          2HG2      THR  83   8.304  -5.879   5.126
  529   3HG2  THR  83          3HG2      THR  83   9.637  -5.275   6.111
  530    H    LYS  84           H        LYS  84  10.787  -6.752   1.303
  531    HA   LYS  84           HA       LYS  84   8.100  -6.268   0.672
  532   1HB   LYS  84          1HB       LYS  84  10.626  -6.612  -0.824
  533   2HB   LYS  84          2HB       LYS  84   9.157  -6.923  -1.741
  534   1HG   LYS  84          1HG       LYS  84   8.605  -4.758  -1.826
  535   2HG   LYS  84          2HG       LYS  84   9.070  -4.471  -0.148
  536   1HD   LYS  84          1HD       LYS  84  10.668  -3.225  -1.200
  537   2HD   LYS  84          2HD       LYS  84  11.501  -4.780  -1.152
  538   1HE   LYS  84          1HE       LYS  84   9.771  -4.411  -3.485
  539   2HE   LYS  84          2HE       LYS  84  11.107  -3.265  -3.392
  540   1HZ   LYS  84          1HZ       LYS  84  12.281  -5.633  -2.801
  541   2HZ   LYS  84          2HZ       LYS  84  11.146  -6.078  -3.975
  542   3HZ   LYS  84          3HZ       LYS  84  12.297  -4.887  -4.320
  543    HA   PRO  85           HA       PRO  85   5.967 -10.054  -0.063
  544   1HB   PRO  85          1HB       PRO  85   5.892  -9.393  -2.974
  545   2HB   PRO  85          2HB       PRO  85   4.577  -9.878  -1.897
  546   1HG   PRO  85          1HG       PRO  85   4.860  -7.335  -2.629
  547   2HG   PRO  85          2HG       PRO  85   4.363  -7.761  -0.981
  548   1HD   PRO  85          1HD       PRO  85   6.987  -6.771  -1.973
  549   2HD   PRO  85          2HD       PRO  85   6.196  -6.503  -0.409
  550    H    ALA  86           H        ALA  86   7.494 -11.617   0.302
  551    HA   ALA  86           HA       ALA  86   8.573 -12.923  -2.051
  552   1HB   ALA  86          1HB       ALA  86  10.616 -12.580   0.042
  553   2HB   ALA  86          2HB       ALA  86  10.213 -11.130  -0.877
  554   3HB   ALA  86          3HB       ALA  86  10.775 -12.577  -1.714

  No H/Q in entry =         554
  Start of MODEL   19
    1    H1   GLY  16           H1       GLY  16 -13.180 -11.155   6.998
    2    H2   GLY  16           H2       GLY  16 -12.255 -12.385   7.697
    3    H3   GLY  16           H3       GLY  16 -12.621 -10.994   8.586
    4   1HA   GLY  16          1HA       GLY  16 -10.360 -11.446   7.090
    5   2HA   GLY  16          2HA       GLY  16 -10.853  -9.929   7.826
    6    H    ARG  17           H        ARG  17 -11.793  -8.327   6.565
    7    HA   ARG  17           HA       ARG  17 -11.480  -8.733   3.676
    8   1HB   ARG  17          1HB       ARG  17 -13.515  -6.860   3.891
    9   2HB   ARG  17          2HB       ARG  17 -13.694  -8.544   3.417
   10   1HG   ARG  17          1HG       ARG  17 -13.633  -8.633   6.174
   11   2HG   ARG  17          2HG       ARG  17 -14.579  -7.187   5.811
   12   1HD   ARG  17          1HD       ARG  17 -16.328  -8.412   5.187
   13   2HD   ARG  17          2HD       ARG  17 -15.336  -9.351   4.072
   14    HE   ARG  17           HE       ARG  17 -14.710 -10.660   6.168
   15   1HH1  ARG  17          1HH1      ARG  17 -17.803  -9.123   5.693
   16   2HH1  ARG  17          2HH1      ARG  17 -18.657 -10.236   6.710
   17   1HH2  ARG  17          1HH2      ARG  17 -15.826 -12.128   7.507
   18   2HH2  ARG  17          2HH2      ARG  17 -17.532 -11.944   7.740
   19    H    VAL  18           H        VAL  18  -9.577  -7.642   5.352
   20    HA   VAL  18           HA       VAL  18  -9.740  -4.743   4.937
   21    HB   VAL  18           HB       VAL  18  -7.287  -5.394   6.185
   22   1HG1  VAL  18          1HG1      VAL  18  -9.351  -3.592   6.463
   23   2HG1  VAL  18          2HG1      VAL  18  -9.391  -4.497   7.976
   24   3HG1  VAL  18          3HG1      VAL  18  -7.908  -3.685   7.473
   25   1HG2  VAL  18          1HG2      VAL  18  -9.586  -7.041   7.150
   26   2HG2  VAL  18          2HG2      VAL  18  -7.893  -7.493   6.941
   27   3HG2  VAL  18          3HG2      VAL  18  -8.371  -6.459   8.288
   28    H    ARG  19           H        ARG  19  -9.522  -5.224   2.582
   29    HA   ARG  19           HA       ARG  19  -6.687  -5.521   1.841
   30   1HB   ARG  19          1HB       ARG  19  -7.677  -6.209  -0.439
   31   2HB   ARG  19          2HB       ARG  19  -7.723  -7.378   0.873
   32   1HG   ARG  19          1HG       ARG  19 -10.085  -6.501   1.322
   33   2HG   ARG  19          2HG       ARG  19  -9.968  -5.767  -0.279
   34   1HD   ARG  19          1HD       ARG  19  -9.320  -8.078  -1.118
   35   2HD   ARG  19          2HD       ARG  19  -9.850  -8.680   0.452
   36    HE   ARG  19           HE       ARG  19 -11.625  -7.243  -1.415
   37   1HH1  ARG  19          1HH1      ARG  19 -11.010  -9.760   0.914
   38   2HH1  ARG  19          2HH1      ARG  19 -12.623 -10.388   0.855
   39   1HH2  ARG  19          1HH2      ARG  19 -13.751  -8.062  -1.499
   40   2HH2  ARG  19          2HH2      ARG  19 -14.182  -9.422  -0.519
   41    H    TRP  20           H        TRP  20  -7.242  -3.083   2.553
   42    HA   TRP  20           HA       TRP  20  -7.375  -1.599   0.043
   43   1HB   TRP  20          1HB       TRP  20  -9.017  -0.977   2.508
   44   2HB   TRP  20          2HB       TRP  20  -8.832   0.120   1.140
   45    HD1  TRP  20           HD1      TRP  20 -10.455  -3.196   2.120
   46    HE1  TRP  20           HE1      TRP  20 -12.199  -3.818   0.315
   47    HE3  TRP  20           HE3      TRP  20  -9.470   0.495  -1.275
   48    HZ2  TRP  20           HZ2      TRP  20 -13.020  -2.860  -2.220
   49    HZ3  TRP  20           HZ3      TRP  20 -10.776   0.576  -3.356
   50    HH2  TRP  20           HH2      TRP  20 -12.521  -1.067  -3.815
   51    H    ALA  21           H        ALA  21  -6.392   0.555   0.205
   52    HA   ALA  21           HA       ALA  21  -4.647   0.848   2.543
   53   1HB   ALA  21          1HB       ALA  21  -2.816   0.531   1.332
   54   2HB   ALA  21          2HB       ALA  21  -3.300   1.817   0.228
   55   3HB   ALA  21          3HB       ALA  21  -3.818   0.158  -0.070
   56    H    ARG  22           H        ARG  22  -5.480   2.629   3.467
   57    HA   ARG  22           HA       ARG  22  -6.052   4.922   1.728
   58   1HB   ARG  22          1HB       ARG  22  -7.992   4.606   2.951
   59   2HB   ARG  22          2HB       ARG  22  -7.130   4.070   4.388
   60   1HG   ARG  22          1HG       ARG  22  -6.290   6.495   4.533
   61   2HG   ARG  22          2HG       ARG  22  -7.583   6.858   3.389
   62   1HD   ARG  22          1HD       ARG  22  -8.426   7.245   5.588
   63   2HD   ARG  22          2HD       ARG  22  -9.183   5.777   4.969
   64    HE   ARG  22           HE       ARG  22  -7.162   4.735   6.320
   65   1HH1  ARG  22          1HH1      ARG  22  -9.340   7.307   7.214
   66   2HH1  ARG  22          2HH1      ARG  22  -9.240   6.974   8.910
   67   1HH2  ARG  22          1HH2      ARG  22  -7.027   4.292   8.553
   68   2HH2  ARG  22          2HH2      ARG  22  -7.925   5.262   9.672
   69    H    ALA  23           H        ALA  23  -4.381   6.169   1.525
   70    HA   ALA  23           HA       ALA  23  -2.298   6.292   3.493
   71   1HB   ALA  23          1HB       ALA  23  -1.427   6.423   1.374
   72   2HB   ALA  23          3HB       ALA  23  -1.470   8.127   1.829
   73   3HB   ALA  23          2HB       ALA  23  -2.725   7.461   0.786
   74    H    LEU  24           H        LEU  24  -2.020   7.697   5.056
   75    HA   LEU  24           HA       LEU  24  -3.859   9.972   5.276
   76   1HB   LEU  24          1HB       LEU  24  -1.960   9.065   7.421
   77   2HB   LEU  24          2HB       LEU  24  -3.458   9.955   7.593
   78    HG   LEU  24           HG       LEU  24  -3.198   7.031   6.893
   79   1HD1  LEU  24          1HD1      LEU  24  -2.836   7.993   9.312
   80   2HD1  LEU  24          2HD1      LEU  24  -4.598   8.072   9.303
   81   3HD1  LEU  24          3HD1      LEU  24  -3.783   6.529   9.046
   82   1HD2  LEU  24          1HD2      LEU  24  -5.235   8.741   6.149
   83   2HD2  LEU  24          2HD2      LEU  24  -5.341   6.986   6.279
   84   3HD2  LEU  24          3HD2      LEU  24  -5.834   8.001   7.634
   85    H    TYR  25           H        TYR  25  -0.719   9.094   4.498
   86    HA   TYR  25           HA       TYR  25   0.133  11.880   4.327
   87   1HB   TYR  25          1HB       TYR  25   2.341  10.108   5.057
   88   2HB   TYR  25          2HB       TYR  25   1.928  11.698   5.684
   89    HD1  TYR  25           HD1      TYR  25   0.783  11.940   7.753
   90    HD2  TYR  25           HD2      TYR  25   1.291   8.077   6.048
   91    HE1  TYR  25           HE1      TYR  25   0.059  10.918   9.869
   92    HE2  TYR  25           HE2      TYR  25   0.564   7.043   8.158
   93    HH   TYR  25           HH       TYR  25   0.528   8.491  10.998
   94    H    ASP  26           H        ASP  26   2.414  11.799   3.098
   95    HA   ASP  26           HA       ASP  26   1.938  10.999   0.506
   96   1HB   ASP  26          1HB       ASP  26   4.011  12.279   1.859
   97   2HB   ASP  26          2HB       ASP  26   4.774  10.876   1.116
   98    H    PHE  27           H        PHE  27   3.687   9.504  -0.663
   99    HA   PHE  27           HA       PHE  27   3.276   6.837   0.476
  100   1HB   PHE  27          1HB       PHE  27   3.480   6.001  -1.752
  101   2HB   PHE  27          2HB       PHE  27   2.436   7.417  -1.823
  102    HD1  PHE  27           HD1      PHE  27   3.275   9.528  -2.761
  103    HD2  PHE  27           HD2      PHE  27   5.591   5.962  -2.832
  104    HE1  PHE  27           HE1      PHE  27   4.742  10.523  -4.468
  105    HE2  PHE  27           HE2      PHE  27   7.064   6.950  -4.542
  106    HZ   PHE  27           HZ       PHE  27   6.640   9.233  -5.360
  107    H    GLU  28           H        GLU  28   4.920   5.322   0.657
  108    HA   GLU  28           HA       GLU  28   7.620   6.444   0.822
  109   1HB   GLU  28          1HB       GLU  28   6.613   3.785   1.834
  110   2HB   GLU  28          2HB       GLU  28   8.161   4.534   2.201
  111   1HG   GLU  28          1HG       GLU  28   6.015   6.313   2.875
  112   2HG   GLU  28          2HG       GLU  28   5.775   4.742   3.634
  113    H    ALA  29           H        ALA  29   6.005   5.155  -1.595
  114    HA   ALA  29           HA       ALA  29   7.577   2.908  -2.341
  115   1HB   ALA  29          3HB       ALA  29   6.538   4.028  -4.687
  116   2HB   ALA  29          1HB       ALA  29   5.860   2.708  -3.733
  117   3HB   ALA  29          2HB       ALA  29   5.354   4.369  -3.424
  118    H    LEU  30           H        LEU  30   9.716   3.177  -2.482
  119    HA   LEU  30           HA       LEU  30  10.775   5.472  -3.971
  120   1HB   LEU  30          1HB       LEU  30  12.513   3.495  -2.554
  121   2HB   LEU  30          2HB       LEU  30  12.784   5.203  -2.846
  122    HG   LEU  30           HG       LEU  30  10.674   4.227  -0.933
  123   1HD1  LEU  30          1HD1      LEU  30  13.111   3.470  -0.453
  124   2HD1  LEU  30          2HD1      LEU  30  13.365   5.165  -0.034
  125   3HD1  LEU  30          3HD1      LEU  30  12.160   4.213   0.833
  126   1HD2  LEU  30          1HD2      LEU  30  11.590   6.792  -1.888
  127   2HD2  LEU  30          2HD2      LEU  30  10.184   6.396  -0.901
  128   3HD2  LEU  30          3HD2      LEU  30  11.750   6.668  -0.137
  129    H    GLU  31           H        GLU  31  10.096   2.171  -4.234
  130    HA   GLU  31           HA       GLU  31  12.039   1.765  -6.396
  131   1HB   GLU  31          1HB       GLU  31  10.546  -0.009  -4.570
  132   2HB   GLU  31          2HB       GLU  31  10.716  -0.600  -6.216
  133   1HG   GLU  31          1HG       GLU  31  13.100   0.412  -4.731
  134   2HG   GLU  31          2HG       GLU  31  12.491  -1.217  -4.440
  135    H    GLU  32           H        GLU  32  11.204   0.536  -8.335
  136    HA   GLU  32           HA       GLU  32   8.925   1.976  -9.393
  137   1HB   GLU  32          1HB       GLU  32   9.563   1.070 -11.537
  138   2HB   GLU  32          2HB       GLU  32  10.999   1.672 -10.720
  139   1HG   GLU  32          1HG       GLU  32  10.809  -1.006  -9.975
  140   2HG   GLU  32          2HG       GLU  32  10.406  -0.971 -11.690
  141    H    ASP  33           H        ASP  33   9.689  -1.232  -8.283
  142    HA   ASP  33           HA       ASP  33   7.382  -2.483  -9.452
  143   1HB   ASP  33          1HB       ASP  33   8.236  -4.082  -7.320
  144   2HB   ASP  33          2HB       ASP  33   8.655  -4.274  -9.019
  145    H    GLU  34           H        GLU  34   7.702  -0.305  -7.022
  146    HA   GLU  34           HA       GLU  34   5.597  -1.440  -5.344
  147   1HB   GLU  34          1HB       GLU  34   7.384   0.969  -4.984
  148   2HB   GLU  34          2HB       GLU  34   6.109   0.516  -3.861
  149   1HG   GLU  34          1HG       GLU  34   7.222  -1.421  -3.192
  150   2HG   GLU  34          2HG       GLU  34   8.294  -1.396  -4.591
  151    H    LEU  35           H        LEU  35   4.303   0.702  -4.400
  152    HA   LEU  35           HA       LEU  35   3.269   2.157  -6.727
  153   1HB   LEU  35          1HB       LEU  35   1.714   0.399  -6.489
  154   2HB   LEU  35          2HB       LEU  35   1.718   0.519  -4.740
  155    HG   LEU  35           HG       LEU  35   0.681   2.856  -5.100
  156   1HD1  LEU  35          1HD1      LEU  35   0.870   1.886  -7.818
  157   2HD1  LEU  35          2HD1      LEU  35  -0.790   2.293  -7.379
  158   3HD1  LEU  35          3HD1      LEU  35   0.487   3.500  -7.218
  159   1HD2  LEU  35          1HD2      LEU  35  -0.516   0.180  -5.195
  160   2HD2  LEU  35          2HD2      LEU  35  -0.866   1.546  -4.136
  161   3HD2  LEU  35          3HD2      LEU  35  -1.566   1.482  -5.753
  162    H    GLY  36           H        GLY  36   2.684   4.252  -6.330
  163   1HA   GLY  36          1HA       GLY  36   3.590   6.075  -4.929
  164   2HA   GLY  36          2HA       GLY  36   3.016   5.162  -3.545
  165    H    PHE  37           H        PHE  37   1.477   6.309  -2.642
  166    HA   PHE  37           HA       PHE  37  -0.673   7.382  -4.346
  167   1HB   PHE  37          1HB       PHE  37  -1.830   7.211  -1.900
  168   2HB   PHE  37          2HB       PHE  37  -1.956   5.959  -3.132
  169    HD1  PHE  37           HD1      PHE  37  -1.704   3.838  -2.330
  170    HD2  PHE  37           HD2      PHE  37   0.543   6.978  -0.543
  171    HE1  PHE  37           HE1      PHE  37  -0.694   2.225  -0.775
  172    HE2  PHE  37           HE2      PHE  37   1.561   5.370   1.013
  173    HZ   PHE  37           HZ       PHE  37   0.942   2.990   0.899
  174    H    ARG  38           H        ARG  38  -2.005   8.977  -2.704
  175    HA   ARG  38           HA       ARG  38  -0.021  10.820  -1.551
  176   1HB   ARG  38          1HB       ARG  38  -2.436  11.769  -3.082
  177   2HB   ARG  38          2HB       ARG  38  -1.053  12.712  -2.544
  178   1HG   ARG  38          1HG       ARG  38   0.227  10.976  -4.105
  179   2HG   ARG  38          2HG       ARG  38  -1.348  10.949  -4.898
  180   1HD   ARG  38          1HD       ARG  38   0.387  13.357  -4.375
  181   2HD   ARG  38          2HD       ARG  38   0.034  12.623  -5.938
  182    HE   ARG  38           HE       ARG  38  -2.414  13.265  -5.095
  183   1HH1  ARG  38          1HH1      ARG  38   0.550  15.095  -5.126
  184   2HH1  ARG  38          2HH1      ARG  38  -0.242  16.624  -5.310
  185   1HH2  ARG  38          1HH2      ARG  38  -3.468  15.275  -5.339
  186   2HH2  ARG  38          2HH2      ARG  38  -2.526  16.726  -5.430
  187    H    SER  39           H        SER  39  -1.035  12.452  -0.083
  188    HA   SER  39           HA       SER  39  -2.264  11.349   2.068
  189   1HB   SER  39          1HB       SER  39  -1.776  13.419   2.777
  190   2HB   SER  39          2HB       SER  39  -1.755  14.037   1.125
  191    HG   SER  39           HG       SER  39  -3.722  14.766   1.372
  192    H    GLY  40           H        GLY  40  -4.274  10.886   2.768
  193   1HA   GLY  40          1HA       GLY  40  -6.695  11.888   1.890
  194   2HA   GLY  40          2HA       GLY  40  -6.489  10.312   2.635
  195    H    GLU  41           H        GLU  41  -5.544   8.612   1.044
  196    HA   GLU  41           HA       GLU  41  -7.180   8.784  -1.386
  197   1HB   GLU  41          1HB       GLU  41  -4.242   8.336  -1.219
  198   2HB   GLU  41          2HB       GLU  41  -5.143   7.426  -2.424
  199   1HG   GLU  41          1HG       GLU  41  -6.111   9.916  -2.841
  200   2HG   GLU  41          2HG       GLU  41  -4.464  10.276  -2.324
  201    H    VAL  42           H        VAL  42  -8.098   6.907  -2.083
  202    HA   VAL  42           HA       VAL  42  -7.931   4.646  -0.224
  203    HB   VAL  42           HB       VAL  42  -9.969   5.084  -2.409
  204   1HG1  VAL  42          1HG1      VAL  42  -9.695   2.772  -1.560
  205   2HG1  VAL  42          2HG1      VAL  42 -10.084   3.354   0.058
  206   3HG1  VAL  42          3HG1      VAL  42 -11.288   3.451  -1.228
  207   1HG2  VAL  42          1HG2      VAL  42  -9.723   6.813  -0.412
  208   2HG2  VAL  42          2HG2      VAL  42 -11.298   6.305  -1.021
  209   3HG2  VAL  42          3HG2      VAL  42 -10.639   5.570   0.441
  210    H    VAL  43           H        VAL  43  -7.183   2.685  -0.823
  211    HA   VAL  43           HA       VAL  43  -6.588   2.231  -3.673
  212    HB   VAL  43           HB       VAL  43  -4.776   1.513  -1.363
  213   1HG1  VAL  43          1HG1      VAL  43  -4.692   0.922  -4.291
  214   2HG1  VAL  43          2HG1      VAL  43  -3.194   1.075  -3.372
  215   3HG1  VAL  43          3HG1      VAL  43  -4.384  -0.148  -2.923
  216   1HG2  VAL  43          1HG2      VAL  43  -4.963   3.874  -3.065
  217   2HG2  VAL  43          2HG2      VAL  43  -4.113   3.640  -1.538
  218   3HG2  VAL  43          3HG2      VAL  43  -3.359   3.142  -3.051
  219    H    GLU  44           H        GLU  44  -6.978   0.193  -4.438
  220    HA   GLU  44           HA       GLU  44  -8.352  -1.628  -2.605
  221   1HB   GLU  44          1HB       GLU  44  -9.563  -1.125  -4.626
  222   2HB   GLU  44          2HB       GLU  44  -8.179  -1.547  -5.621
  223   1HG   GLU  44          1HG       GLU  44  -8.380  -3.863  -5.009
  224   2HG   GLU  44          2HG       GLU  44  -9.672  -3.484  -3.871
  225    H    VAL  45           H        VAL  45  -7.004  -2.959  -1.573
  226    HA   VAL  45           HA       VAL  45  -4.551  -3.890  -2.769
  227    HB   VAL  45           HB       VAL  45  -5.799  -4.820  -0.181
  228   1HG1  VAL  45          1HG1      VAL  45  -3.291  -5.381  -1.584
  229   2HG1  VAL  45          2HG1      VAL  45  -3.088  -4.934   0.110
  230   3HG1  VAL  45          3HG1      VAL  45  -4.118  -6.298  -0.324
  231   1HG2  VAL  45          1HG2      VAL  45  -3.909  -2.530  -0.698
  232   2HG2  VAL  45          2HG2      VAL  45  -5.552  -2.431  -0.068
  233   3HG2  VAL  45          3HG2      VAL  45  -4.282  -3.180   0.899
  234    H    LEU  46           H        LEU  46  -4.103  -5.903  -3.554
  235    HA   LEU  46           HA       LEU  46  -6.405  -7.721  -3.817
  236   1HB   LEU  46          1HB       LEU  46  -4.442  -6.698  -5.741
  237   2HB   LEU  46          2HB       LEU  46  -4.723  -8.425  -5.847
  238    HG   LEU  46           HG       LEU  46  -7.086  -6.612  -5.770
  239   1HD1  LEU  46          1HD1      LEU  46  -5.377  -5.699  -7.416
  240   2HD1  LEU  46          2HD1      LEU  46  -5.640  -7.180  -8.338
  241   3HD1  LEU  46          3HD1      LEU  46  -6.980  -6.070  -8.049
  242   1HD2  LEU  46          1HD2      LEU  46  -6.451  -9.366  -6.475
  243   2HD2  LEU  46          2HD2      LEU  46  -7.991  -8.639  -6.017
  244   3HD2  LEU  46          3HD2      LEU  46  -7.435  -8.547  -7.688
  245    H    ASP  47           H        ASP  47  -3.924  -7.554  -1.891
  246    HA   ASP  47           HA       ASP  47  -3.513 -10.427  -1.901
  247   1HB   ASP  47          1HB       ASP  47  -1.656  -9.204  -3.231
  248   2HB   ASP  47          2HB       ASP  47  -1.089  -8.685  -1.647
  249    H    SER  48           H        SER  48  -2.121  -7.620  -0.326
  250    HA   SER  48           HA       SER  48  -1.784  -7.046   1.838
  251   1HB   SER  48          1HB       SER  48  -3.705  -7.834   3.441
  252   2HB   SER  48          2HB       SER  48  -3.995  -6.590   2.231
  253    HG   SER  48           HG       SER  48  -4.830  -9.267   2.273
  254    H    SER  49           H        SER  49  -1.468 -10.195   0.918
  255    HA   SER  49           HA       SER  49  -0.966 -11.178   3.606
  256   1HB   SER  49          1HB       SER  49  -1.719 -12.934   2.251
  257   2HB   SER  49          2HB       SER  49  -0.803 -12.375   0.851
  258    HG   SER  49           HG       SER  49   1.058 -13.154   1.767
  259    H    ASN  50           H        ASN  50   0.768 -10.535   4.581
  260    HA   ASN  50           HA       ASN  50   3.386 -10.963   4.021
  261   1HB   ASN  50          1HB       ASN  50   2.326  -8.634   2.562
  262   2HB   ASN  50          2HB       ASN  50   3.808  -8.324   3.456
  263   1HD2  ASN  50          1HD2      ASN  50   2.826  -8.810   0.539
  264   2HD2  ASN  50          2HD2      ASN  50   4.076  -9.798  -0.117
  265    HA   PRO  51           HA       PRO  51   3.386  -8.837   7.919
  266   1HB   PRO  51          1HB       PRO  51   5.981  -8.902   8.547
  267   2HB   PRO  51          2HB       PRO  51   5.056 -10.393   8.331
  268   1HG   PRO  51          1HG       PRO  51   7.063  -9.139   6.543
  269   2HG   PRO  51          2HG       PRO  51   6.646 -10.848   6.742
  270   1HD   PRO  51          1HD       PRO  51   5.733  -9.050   4.717
  271   2HD   PRO  51          2HD       PRO  51   5.241 -10.736   4.969
  272    H    SER  52           H        SER  52   4.174  -7.119   5.271
  273    HA   SER  52           HA       SER  52   4.270  -4.652   6.672
  274   1HB   SER  52          1HB       SER  52   6.812  -5.908   5.998
  275   2HB   SER  52          2HB       SER  52   6.655  -4.285   5.325
  276    HG   SER  52           HG       SER  52   7.213  -3.695   7.266
  277    H    TRP  53           H        TRP  53   5.603  -5.887   3.588
  278    HA   TRP  53           HA       TRP  53   4.212  -3.719   2.199
  279   1HB   TRP  53          1HB       TRP  53   6.422  -5.595   1.436
  280   2HB   TRP  53          2HB       TRP  53   5.560  -4.675   0.213
  281    HD1  TRP  53           HD1      TRP  53   7.991  -4.223   3.137
  282    HE1  TRP  53           HE1      TRP  53   9.088  -1.903   2.937
  283    HE3  TRP  53           HE3      TRP  53   5.205  -2.338  -0.712
  284    HZ2  TRP  53           HZ2      TRP  53   8.809   0.421   1.353
  285    HZ3  TRP  53           HZ3      TRP  53   5.684  -0.060  -1.509
  286    HH2  TRP  53           HH2      TRP  53   7.447   1.289  -0.496
  287    H    TRP  54           H        TRP  54   2.337  -4.061   1.243
  288    HA   TRP  54           HA       TRP  54   1.587  -6.818   0.519
  289   1HB   TRP  54          1HB       TRP  54  -0.249  -4.473   1.037
  290   2HB   TRP  54          2HB       TRP  54  -0.729  -6.125   0.672
  291    HD1  TRP  54           HD1      TRP  54   1.734  -7.078   2.870
  292    HE1  TRP  54           HE1      TRP  54   0.954  -7.206   5.315
  293    HE3  TRP  54           HE3      TRP  54  -2.437  -4.159   2.535
  294    HZ2  TRP  54           HZ2      TRP  54  -1.141  -6.178   6.906
  295    HZ3  TRP  54           HZ3      TRP  54  -3.775  -3.771   4.563
  296    HH2  TRP  54           HH2      TRP  54  -3.139  -4.761   6.704
  297    H    THR  55           H        THR  55   0.573  -7.216  -1.455
  298    HA   THR  55           HA       THR  55   1.292  -5.340  -3.560
  299    HB   THR  55           HB       THR  55  -0.059  -7.979  -4.037
  300    HG1  THR  55           HG1      THR  55   1.801  -8.197  -2.565
  301   1HG2  THR  55          1HG2      THR  55   1.255  -5.955  -5.618
  302   2HG2  THR  55          2HG2      THR  55   2.041  -7.521  -5.827
  303   3HG2  THR  55          3HG2      THR  55   0.314  -7.352  -6.144
  304    H    GLY  56           H        GLY  56  -0.111  -3.846  -4.175
  305   1HA   GLY  56          1HA       GLY  56  -2.622  -3.313  -3.437
  306   2HA   GLY  56          2HA       GLY  56  -2.891  -4.550  -4.660
  307    H    ARG  57           H        ARG  57  -4.083  -2.395  -5.425
  308    HA   ARG  57           HA       ARG  57  -2.177  -0.810  -7.002
  309   1HB   ARG  57          1HB       ARG  57  -3.798  -0.918  -8.926
  310   2HB   ARG  57          2HB       ARG  57  -2.941  -2.414  -8.564
  311   1HG   ARG  57          1HG       ARG  57  -4.855  -3.410  -7.640
  312   2HG   ARG  57          2HG       ARG  57  -5.690  -1.863  -7.490
  313   1HD   ARG  57          1HD       ARG  57  -6.095  -1.727  -9.788
  314   2HD   ARG  57          2HD       ARG  57  -4.872  -2.937 -10.167
  315    HE   ARG  57           HE       ARG  57  -6.373  -4.627  -9.511
  316   1HH1  ARG  57          1HH1      ARG  57  -7.761  -1.438  -9.273
  317   2HH1  ARG  57          2HH1      ARG  57  -9.394  -2.014  -9.204
  318   1HH2  ARG  57          1HH2      ARG  57  -8.518  -5.392  -9.428
  319   2HH2  ARG  57          2HH2      ARG  57  -9.822  -4.262  -9.292
  320    H    LEU  58           H        LEU  58  -2.570   1.303  -7.159
  321    HA   LEU  58           HA       LEU  58  -4.927   2.364  -5.774
  322   1HB   LEU  58          1HB       LEU  58  -3.090   3.381  -4.823
  323   2HB   LEU  58          2HB       LEU  58  -2.169   3.354  -6.315
  324    HG   LEU  58           HG       LEU  58  -4.308   5.122  -6.786
  325   1HD1  LEU  58          1HD1      LEU  58  -3.494   5.113  -3.978
  326   2HD1  LEU  58          2HD1      LEU  58  -3.387   6.691  -4.761
  327   3HD1  LEU  58          3HD1      LEU  58  -4.917   5.812  -4.751
  328   1HD2  LEU  58          1HD2      LEU  58  -1.389   5.154  -6.613
  329   2HD2  LEU  58          2HD2      LEU  58  -2.465   5.867  -7.815
  330   3HD2  LEU  58          3HD2      LEU  58  -2.150   6.713  -6.299
  331    H    HIS  59           H        HIS  59  -6.592   2.919  -7.008
  332    HA   HIS  59           HA       HIS  59  -7.841   3.786  -8.690
  333   1HB   HIS  59          1HB       HIS  59  -6.841   5.871  -8.567
  334   2HB   HIS  59          2HB       HIS  59  -5.258   5.255  -9.019
  335    HD1  HIS  59           HD1      HIS  59  -8.462   4.882 -11.016
  336    HD2  HIS  59           HD2      HIS  59  -4.759   6.754 -11.220
  337    HE1  HIS  59           HE1      HIS  59  -8.336   5.870 -13.327
  338    HE2  HIS  59           HE2      HIS  59  -6.116   7.058 -13.403
  339    H    ASN  60           H        ASN  60  -4.779   3.609 -10.503
  340    HA   ASN  60           HA       ASN  60  -5.754   1.262 -11.933
  341   1HB   ASN  60          1HB       ASN  60  -6.211   3.749 -13.001
  342   2HB   ASN  60          2HB       ASN  60  -4.687   3.299 -13.758
  343   1HD2  ASN  60          1HD2      ASN  60  -7.512   3.557 -14.745
  344   2HD2  ASN  60          2HD2      ASN  60  -7.817   2.066 -15.562
  345    H    LYS  61           H        LYS  61  -3.434   2.335 -10.171
  346    HA   LYS  61           HA       LYS  61  -1.238   1.359 -11.875
  347   1HB   LYS  61          1HB       LYS  61  -1.232   3.247  -9.517
  348   2HB   LYS  61          2HB       LYS  61   0.236   2.534 -10.172
  349   1HG   LYS  61          1HG       LYS  61  -0.494   3.533 -12.411
  350   2HG   LYS  61          2HG       LYS  61  -1.626   4.497 -11.460
  351   1HD   LYS  61          1HD       LYS  61   0.250   5.871 -11.644
  352   2HD   LYS  61          2HD       LYS  61   0.429   5.136 -10.050
  353   1HE   LYS  61          1HE       LYS  61   1.648   3.665 -12.294
  354   2HE   LYS  61          2HE       LYS  61   2.389   5.215 -11.900
  355   1HZ   LYS  61          1HZ       LYS  61   1.814   3.477  -9.647
  356   2HZ   LYS  61          2HZ       LYS  61   3.023   2.934 -10.695
  357   3HZ   LYS  61          3HZ       LYS  61   3.168   4.445  -9.951
  358    H    LEU  62           H        LEU  62  -0.340  -0.543 -11.331
  359    HA   LEU  62           HA       LEU  62  -1.119  -1.728  -8.762
  360   1HB   LEU  62          1HB       LEU  62   0.261  -3.450 -10.687
  361   2HB   LEU  62          2HB       LEU  62  -1.214  -3.731  -9.782
  362    HG   LEU  62           HG       LEU  62  -1.998  -1.853 -11.641
  363   1HD1  LEU  62          1HD1      LEU  62   0.309  -2.329 -12.687
  364   2HD1  LEU  62          2HD1      LEU  62  -0.407  -3.862 -13.186
  365   3HD1  LEU  62          3HD1      LEU  62  -1.113  -2.341 -13.730
  366   1HD2  LEU  62          1HD2      LEU  62  -2.166  -4.855 -11.616
  367   2HD2  LEU  62          2HD2      LEU  62  -3.369  -3.690 -11.066
  368   3HD2  LEU  62          3HD2      LEU  62  -3.025  -3.856 -12.788
  369    H    GLY  63           H        GLY  63   0.368  -2.663  -7.371
  370   1HA   GLY  63          1HA       GLY  63   2.929  -1.406  -7.321
  371   2HA   GLY  63          2HA       GLY  63   3.057  -3.108  -7.735
  372    H    LEU  64           H        LEU  64   4.265  -2.099  -5.462
  373    HA   LEU  64           HA       LEU  64   2.652  -3.363  -3.343
  374   1HB   LEU  64          1HB       LEU  64   5.478  -3.006  -2.741
  375   2HB   LEU  64          2HB       LEU  64   4.481  -4.443  -2.632
  376    HG   LEU  64           HG       LEU  64   5.291  -3.606  -5.355
  377   1HD1  LEU  64          1HD1      LEU  64   7.231  -3.703  -3.364
  378   2HD1  LEU  64          2HD1      LEU  64   7.334  -5.264  -4.178
  379   3HD1  LEU  64          3HD1      LEU  64   7.490  -3.773  -5.107
  380   1HD2  LEU  64          1HD2      LEU  64   3.979  -5.730  -4.383
  381   2HD2  LEU  64          2HD2      LEU  64   4.957  -5.787  -5.849
  382   3HD2  LEU  64          3HD2      LEU  64   5.628  -6.350  -4.319
  383    H    PHE  65           H        PHE  65   2.081  -2.205  -1.584
  384    HA   PHE  65           HA       PHE  65   3.306   0.458  -1.254
  385   1HB   PHE  65          1HB       PHE  65   1.249   1.396  -0.726
  386   2HB   PHE  65          2HB       PHE  65   0.787   0.213  -1.951
  387    HD1  PHE  65           HD1      PHE  65  -0.528  -1.721  -1.356
  388    HD2  PHE  65           HD2      PHE  65   0.759   1.044   1.606
  389    HE1  PHE  65           HE1      PHE  65  -2.079  -2.736   0.255
  390    HE2  PHE  65           HE2      PHE  65  -0.775   0.045   3.227
  391    HZ   PHE  65           HZ       PHE  65  -2.207  -1.856   2.560
  392    HA   PRO  66           HA       PRO  66   4.288  -0.585   2.952
  393   1HB   PRO  66          1HB       PRO  66   4.136   1.752   4.210
  394   2HB   PRO  66          2HB       PRO  66   5.299   1.522   2.895
  395   1HG   PRO  66          1HG       PRO  66   2.563   2.769   2.784
  396   2HG   PRO  66          2HG       PRO  66   4.094   3.424   2.186
  397   1HD   PRO  66          1HD       PRO  66   2.364   2.158   0.557
  398   2HD   PRO  66          2HD       PRO  66   4.119   2.037   0.342
  399    H    ALA  67           H        ALA  67   2.793  -1.910   3.949
  400    HA   ALA  67           HA       ALA  67   0.138  -1.077   4.570
  401   1HB   ALA  67          1HB       ALA  67   0.946  -3.459   4.221
  402   2HB   ALA  67          2HB       ALA  67   1.578  -3.375   5.865
  403   3HB   ALA  67          3HB       ALA  67  -0.152  -3.187   5.573
  404    H    ASN  68           H        ASN  68   3.118  -0.420   5.965
  405    HA   ASN  68           HA       ASN  68   2.106  -0.128   8.677
  406   1HB   ASN  68          1HB       ASN  68   4.244  -0.624   9.136
  407   2HB   ASN  68          2HB       ASN  68   4.712  -0.413   7.453
  408   1HD2  ASN  68          1HD2      ASN  68   5.054   1.847   6.744
  409   2HD2  ASN  68          2HD2      ASN  68   5.788   2.940   7.862
  410    H    TYR  69           H        TYR  69   2.933   1.831   5.897
  411    HA   TYR  69           HA       TYR  69   2.840   4.315   7.323
  412   1HB   TYR  69          1HB       TYR  69   3.940   3.610   4.964
  413   2HB   TYR  69          2HB       TYR  69   2.445   4.346   4.392
  414    HD1  TYR  69           HD1      TYR  69   5.246   5.030   6.770
  415    HD2  TYR  69           HD2      TYR  69   2.417   6.629   4.025
  416    HE1  TYR  69           HE1      TYR  69   6.245   7.260   7.050
  417    HE2  TYR  69           HE2      TYR  69   3.407   8.863   4.296
  418    HH   TYR  69           HH       TYR  69   4.781  10.116   5.661
  419    H    VAL  70           H        VAL  70   0.577   2.523   5.244
  420    HA   VAL  70           HA       VAL  70  -1.509   4.423   6.133
  421    HB   VAL  70           HB       VAL  70  -2.512   4.477   4.069
  422   1HG1  VAL  70          1HG1      VAL  70   0.149   5.007   4.109
  423   2HG1  VAL  70          2HG1      VAL  70   0.039   3.883   2.753
  424   3HG1  VAL  70          3HG1      VAL  70  -0.924   5.360   2.755
  425   1HG2  VAL  70          1HG2      VAL  70  -1.591   1.708   3.870
  426   2HG2  VAL  70          2HG2      VAL  70  -3.059   2.463   3.250
  427   3HG2  VAL  70          3HG2      VAL  70  -1.552   2.585   2.342
  428    H    ALA  71           H        ALA  71  -3.679   3.541   6.318
  429    HA   ALA  71           HA       ALA  71  -3.648   0.672   7.019
  430   1HB   ALA  71          1HB       ALA  71  -5.675   2.448   8.243
  431   2HB   ALA  71          2HB       ALA  71  -4.804   1.077   8.928
  432   3HB   ALA  71          3HB       ALA  71  -4.007   2.642   8.780
  433    HA   PRO  72           HA       PRO  72  -6.742  -0.193   4.020
  434   1HB   PRO  72          1HB       PRO  72  -8.119  -1.756   6.147
  435   2HB   PRO  72          2HB       PRO  72  -7.635  -2.243   4.519
  436   1HG   PRO  72          1HG       PRO  72  -6.248  -3.059   6.603
  437   2HG   PRO  72          2HG       PRO  72  -5.412  -2.543   5.128
  438   1HD   PRO  72          1HD       PRO  72  -5.776  -1.058   7.709
  439   2HD   PRO  72          2HD       PRO  72  -4.350  -1.145   6.652
  440    H    MET  73           H        MET  73  -9.154  -0.340   3.755
  441    HA   MET  73           HA       MET  73 -10.608   1.548   5.453
  442   1HB   MET  73          1HB       MET  73  -9.458   2.492   3.252
  443   2HB   MET  73          2HB       MET  73 -10.880   1.794   2.494
  444   1HG   MET  73          1HG       MET  73 -11.799   3.246   4.716
  445   2HG   MET  73          2HG       MET  73 -10.603   4.261   3.914
  446   1HE   MET  73          1HE       MET  73 -13.692   2.159   3.671
  447   2HE   MET  73          2HE       MET  73 -14.590   2.763   2.279
  448   3HE   MET  73          3HE       MET  73 -13.232   1.662   2.043
  449    H    MET  74           H        MET  74 -12.070   0.049   6.187
  450    HA   MET  74           HA       MET  74 -13.244  -1.914   4.470
  451   1HB   MET  74          1HB       MET  74 -13.062  -1.506   7.237
  452   2HB   MET  74          2HB       MET  74 -14.779  -1.405   6.870
  453   1HG   MET  74          1HG       MET  74 -14.922  -3.600   6.675
  454   2HG   MET  74          2HG       MET  74 -13.626  -3.625   5.483
  455   1HE   MET  74          1HE       MET  74 -14.997  -4.404   8.581
  456   2HE   MET  74          2HE       MET  74 -14.035  -5.881   8.667
  457   3HE   MET  74          3HE       MET  74 -13.745  -4.571   9.812
  458    H    ARG  75           H        ARG  75 -14.502  -1.239   2.858
  459    HA   ARG  75           HA       ARG  75 -16.276   1.030   3.187
  460   1HB   ARG  75          1HB       ARG  75 -16.815   0.678   0.819
  461   2HB   ARG  75          2HB       ARG  75 -15.077   0.760   1.081
  462   1HG   ARG  75          1HG       ARG  75 -14.822  -1.563   0.787
  463   2HG   ARG  75          2HG       ARG  75 -16.560  -1.844   0.906
  464   1HD   ARG  75          1HD       ARG  75 -16.687  -0.293  -1.175
  465   2HD   ARG  75          2HD       ARG  75 -14.976  -0.681  -1.351
  466    HE   ARG  75           HE       ARG  75 -15.664  -3.045  -1.469
  467   1HH1  ARG  75          1HH1      ARG  75 -18.031  -0.569  -2.109
  468   2HH1  ARG  75          2HH1      ARG  75 -19.034  -1.599  -3.074
  469   1HH2  ARG  75          1HH2      ARG  75 -16.981  -4.408  -2.735
  470   2HH2  ARG  75          2HH2      ARG  75 -18.439  -3.781  -3.429
  471    H1   ALA  76           H1       ALA  76   6.034   8.604  13.127
  472    H2   ALA  76           H2       ALA  76   5.661  10.129  12.495
  473    H3   ALA  76           H3       ALA  76   4.479   8.919  12.538
  474    HA   ALA  76           HA       ALA  76   5.112   8.864  10.350
  475   1HB   ALA  76          3HB       ALA  76   7.936   9.289  11.317
  476   2HB   ALA  76          1HB       ALA  76   6.909  10.461  10.492
  477   3HB   ALA  76          2HB       ALA  76   7.476   9.029   9.635
  478    HA   PRO  77           HA       PRO  77   5.481   4.459  11.299
  479   1HB   PRO  77          1HB       PRO  77   4.415   4.208   8.560
  480   2HB   PRO  77          2HB       PRO  77   3.777   3.568  10.076
  481   1HG   PRO  77          1HG       PRO  77   2.584   5.604   8.810
  482   2HG   PRO  77          2HG       PRO  77   2.649   5.521  10.582
  483   1HD   PRO  77          1HD       PRO  77   4.316   7.147   8.695
  484   2HD   PRO  77          2HD       PRO  77   3.602   7.613  10.255
  485    H    SER  78           H        SER  78   7.284   3.320  11.041
  486    HA   SER  78           HA       SER  78   9.060   3.916   8.809
  487   1HB   SER  78          1HB       SER  78   9.664   3.601  11.376
  488   2HB   SER  78          2HB       SER  78   9.758   1.907  10.897
  489    HG   SER  78           HG       SER  78  11.030   3.334   9.064
  490    H    ILE  79           H        ILE  79   9.294   2.702   7.096
  491    HA   ILE  79           HA       ILE  79   8.143  -0.001   7.157
  492    HB   ILE  79           HB       ILE  79   7.551   2.171   5.466
  493   1HG1  ILE  79          1HG1      ILE  79   6.154   0.235   6.381
  494   2HG1  ILE  79          2HG1      ILE  79   5.795   0.793   4.755
  495   1HG2  ILE  79          1HG2      ILE  79   9.576   1.366   4.171
  496   2HG2  ILE  79          2HG2      ILE  79   8.637  -0.081   3.802
  497   3HG2  ILE  79          3HG2      ILE  79   8.064   1.501   3.273
  498   1HD1  ILE  79          1HD1      ILE  79   7.530  -1.585   5.364
  499   2HD1  ILE  79          2HD1      ILE  79   5.798  -1.679   5.046
  500   3HD1  ILE  79          3HD1      ILE  79   6.893  -1.091   3.794
  501    H    ASP  80           H        ASP  80   9.278  -1.681   6.399
  502    HA   ASP  80           HA       ASP  80  12.080  -1.181   5.661
  503   1HB   ASP  80          1HB       ASP  80  10.743  -3.197   7.331
  504   2HB   ASP  80          2HB       ASP  80  11.937  -3.863   6.222
  505    H    ARG  81           H        ARG  81  12.359  -1.223   3.534
  506    HA   ARG  81           HA       ARG  81  10.629  -2.567   1.725
  507   1HB   ARG  81          1HB       ARG  81  13.400  -1.503   1.178
  508   2HB   ARG  81          2HB       ARG  81  12.137  -1.817  -0.003
  509   1HG   ARG  81          1HG       ARG  81  10.861  -0.087   1.625
  510   2HG   ARG  81          2HG       ARG  81  12.526   0.476   1.792
  511   1HD   ARG  81          1HD       ARG  81  10.845   0.279  -0.688
  512   2HD   ARG  81          2HD       ARG  81  11.649   1.696  -0.012
  513    HE   ARG  81           HE       ARG  81  12.767  -0.206  -1.806
  514   1HH1  ARG  81          1HH1      ARG  81  13.556   1.877   0.875
  515   2HH1  ARG  81          2HH1      ARG  81  15.219   2.044   0.420
  516   1HH2  ARG  81          1HH2      ARG  81  14.952   0.011  -2.412
  517   2HH2  ARG  81          2HH2      ARG  81  16.012   0.985  -1.449
  518    H    SER  82           H        SER  82  12.974  -3.788   3.722
  519    HA   SER  82           HA       SER  82  14.074  -5.753   1.917
  520   1HB   SER  82          1HB       SER  82  14.368  -5.166   4.847
  521   2HB   SER  82          2HB       SER  82  14.946  -6.696   4.190
  522    HG   SER  82           HG       SER  82  15.704  -4.111   3.295
  523    H    THR  83           H        THR  83  11.105  -5.445   3.122
  524    HA   THR  83           HA       THR  83  10.756  -8.350   3.485
  525    HB   THR  83           HB       THR  83   9.259  -8.064   5.192
  526    HG1  THR  83           HG1      THR  83   8.763  -5.340   4.676
  527   1HG2  THR  83          1HG2      THR  83  11.194  -5.779   5.294
  528   2HG2  THR  83          2HG2      THR  83  10.004  -6.002   6.579
  529   3HG2  THR  83          3HG2      THR  83  11.181  -7.272   6.234
  530    H    LYS  84           H        LYS  84  10.539  -6.556   1.051
  531    HA   LYS  84           HA       LYS  84   7.901  -6.155   0.271
  532   1HB   LYS  84          1HB       LYS  84  10.489  -6.500  -1.110
  533   2HB   LYS  84          2HB       LYS  84   9.063  -6.819  -2.087
  534   1HG   LYS  84          1HG       LYS  84   8.598  -4.653  -2.281
  535   2HG   LYS  84          2HG       LYS  84   8.808  -4.373  -0.551
  536   1HD   LYS  84          1HD       LYS  84  10.439  -3.047  -1.638
  537   2HD   LYS  84          2HD       LYS  84  11.300  -4.437  -0.974
  538   1HE   LYS  84          1HE       LYS  84  11.415  -5.482  -3.110
  539   2HE   LYS  84          2HE       LYS  84  10.314  -4.300  -3.816
  540   1HZ   LYS  84          1HZ       LYS  84  12.547  -3.000  -2.664
  541   2HZ   LYS  84          2HZ       LYS  84  13.073  -4.186  -3.748
  542   3HZ   LYS  84          3HZ       LYS  84  12.012  -2.975  -4.267
  543    HA   PRO  85           HA       PRO  85   5.790  -9.983  -0.315
  544   1HB   PRO  85          1HB       PRO  85   5.535  -9.157  -3.176
  545   2HB   PRO  85          2HB       PRO  85   4.298  -9.767  -2.069
  546   1HG   PRO  85          1HG       PRO  85   4.459  -7.167  -2.636
  547   2HG   PRO  85          2HG       PRO  85   4.049  -7.726  -1.004
  548   1HD   PRO  85          1HD       PRO  85   6.561  -6.522  -2.014
  549   2HD   PRO  85          2HD       PRO  85   5.864  -6.481  -0.385
  550    H    ALA  86           H        ALA  86   7.355 -11.541  -0.135
  551    HA   ALA  86           HA       ALA  86   8.825 -12.234  -2.591
  552   1HB   ALA  86          1HB       ALA  86  10.247 -13.558  -0.810
  553   2HB   ALA  86          2HB       ALA  86  10.512 -11.837  -1.094
  554   3HB   ALA  86          3HB       ALA  86   9.558 -12.366   0.292

  No H/Q in entry =         554
  Start of MODEL   20
    1    H1   GLY  16           H1       GLY  16 -13.944  -7.810   8.604
    2    H2   GLY  16           H2       GLY  16 -13.486  -8.915   9.800
    3    H3   GLY  16           H3       GLY  16 -12.441  -7.658   9.366
    4   1HA   GLY  16          1HA       GLY  16 -13.059 -10.146   7.939
    5   2HA   GLY  16          2HA       GLY  16 -11.498  -9.397   8.236
    6    H    ARG  17           H        ARG  17 -11.951 -10.288   5.754
    7    HA   ARG  17           HA       ARG  17 -11.666  -9.604   3.598
    8   1HB   ARG  17          1HB       ARG  17 -13.952  -7.740   3.706
    9   2HB   ARG  17          2HB       ARG  17 -13.653  -9.095   2.625
   10   1HG   ARG  17          1HG       ARG  17 -14.097 -10.112   5.233
   11   2HG   ARG  17          2HG       ARG  17 -15.388  -8.971   4.847
   12   1HD   ARG  17          1HD       ARG  17 -16.258 -10.904   3.967
   13   2HD   ARG  17          2HD       ARG  17 -15.420 -10.253   2.561
   14    HE   ARG  17           HE       ARG  17 -13.547 -11.834   3.679
   15   1HH1  ARG  17          1HH1      ARG  17 -16.885 -12.369   2.833
   16   2HH1  ARG  17          2HH1      ARG  17 -16.667 -14.055   2.503
   17   1HH2  ARG  17          1HH2      ARG  17 -13.250 -14.056   3.242
   18   2HH2  ARG  17          2HH2      ARG  17 -14.602 -15.013   2.735
   19    H    VAL  18           H        VAL  18 -10.231  -8.139   5.495
   20    HA   VAL  18           HA       VAL  18 -10.321  -5.352   4.659
   21    HB   VAL  18           HB       VAL  18  -8.001  -6.017   6.261
   22   1HG1  VAL  18          1HG1      VAL  18  -9.659  -3.883   5.870
   23   2HG1  VAL  18          2HG1      VAL  18 -10.150  -4.445   7.467
   24   3HG1  VAL  18          3HG1      VAL  18  -8.466  -4.020   7.161
   25   1HG2  VAL  18          1HG2      VAL  18 -10.685  -6.942   7.249
   26   2HG2  VAL  18          2HG2      VAL  18  -9.163  -7.831   7.211
   27   3HG2  VAL  18          3HG2      VAL  18  -9.377  -6.497   8.344
   28    H    ARG  19           H        ARG  19  -9.494  -4.951   2.715
   29    HA   ARG  19           HA       ARG  19  -6.716  -5.639   2.208
   30   1HB   ARG  19          1HB       ARG  19  -7.386  -6.402  -0.149
   31   2HB   ARG  19          2HB       ARG  19  -7.647  -7.533   1.174
   32   1HG   ARG  19          1HG       ARG  19 -10.032  -6.472   1.226
   33   2HG   ARG  19          2HG       ARG  19  -9.636  -5.992  -0.424
   34   1HD   ARG  19          1HD       ARG  19  -8.873  -8.590  -0.451
   35   2HD   ARG  19          2HD       ARG  19 -10.215  -8.651   0.692
   36    HE   ARG  19           HE       ARG  19 -11.677  -8.156  -1.024
   37   1HH1  ARG  19          1HH1      ARG  19  -8.385  -7.806  -2.111
   38   2HH1  ARG  19          2HH1      ARG  19  -8.816  -7.663  -3.782
   39   1HH2  ARG  19          1HH2      ARG  19 -12.253  -7.960  -3.221
   40   2HH2  ARG  19          2HH2      ARG  19 -11.014  -7.750  -4.412
   41    H    TRP  20           H        TRP  20  -7.181  -3.190   2.746
   42    HA   TRP  20           HA       TRP  20  -7.197  -1.796   0.180
   43   1HB   TRP  20          1HB       TRP  20  -8.862  -1.014   2.584
   44   2HB   TRP  20          2HB       TRP  20  -8.596   0.023   1.184
   45    HD1  TRP  20           HD1      TRP  20 -10.319  -3.256   2.179
   46    HE1  TRP  20           HE1      TRP  20 -12.096  -3.812   0.387
   47    HE3  TRP  20           HE3      TRP  20  -9.294   0.464  -1.171
   48    HZ2  TRP  20           HZ2      TRP  20 -12.928  -2.798  -2.119
   49    HZ3  TRP  20           HZ3      TRP  20 -10.623   0.606  -3.233
   50    HH2  TRP  20           HH2      TRP  20 -12.408  -0.992  -3.695
   51    H    ALA  21           H        ALA  21  -6.156   0.317   0.275
   52    HA   ALA  21           HA       ALA  21  -4.412   0.632   2.612
   53   1HB   ALA  21          1HB       ALA  21  -3.600  -0.141   0.044
   54   2HB   ALA  21          3HB       ALA  21  -2.574   0.380   1.381
   55   3HB   ALA  21          2HB       ALA  21  -3.146   1.555   0.198
   56    H    ARG  22           H        ARG  22  -5.265   2.416   3.527
   57    HA   ARG  22           HA       ARG  22  -5.859   4.695   1.774
   58   1HB   ARG  22          1HB       ARG  22  -7.802   4.291   2.999
   59   2HB   ARG  22          2HB       ARG  22  -6.915   3.868   4.459
   60   1HG   ARG  22          1HG       ARG  22  -6.178   6.368   4.395
   61   2HG   ARG  22          2HG       ARG  22  -7.593   6.555   3.357
   62   1HD   ARG  22          1HD       ARG  22  -8.101   4.982   5.764
   63   2HD   ARG  22          2HD       ARG  22  -7.598   6.638   6.098
   64    HE   ARG  22           HE       ARG  22  -9.777   6.164   4.197
   65   1HH1  ARG  22          1HH1      ARG  22  -8.668   7.368   7.273
   66   2HH1  ARG  22          2HH1      ARG  22 -10.124   8.248   7.598
   67   1HH2  ARG  22          1HH2      ARG  22 -11.696   7.317   4.616
   68   2HH2  ARG  22          2HH2      ARG  22 -11.846   8.218   6.088
   69    H    ALA  23           H        ALA  23  -4.201   5.957   1.580
   70    HA   ALA  23           HA       ALA  23  -2.127   6.120   3.541
   71   1HB   ALA  23          2HB       ALA  23  -1.351   6.298   1.360
   72   2HB   ALA  23          1HB       ALA  23  -2.614   7.440   0.900
   73   3HB   ALA  23          3HB       ALA  23  -1.294   7.960   1.947
   74    H    LEU  24           H        LEU  24  -1.753   7.589   5.047
   75    HA   LEU  24           HA       LEU  24  -3.682   9.789   5.355
   76   1HB   LEU  24          1HB       LEU  24  -1.768   8.844   7.474
   77   2HB   LEU  24          2HB       LEU  24  -3.258   9.745   7.675
   78    HG   LEU  24           HG       LEU  24  -3.129   6.866   6.784
   79   1HD1  LEU  24          1HD1      LEU  24  -2.673   7.926   9.344
   80   2HD1  LEU  24          2HD1      LEU  24  -4.308   7.265   9.361
   81   3HD1  LEU  24          3HD1      LEU  24  -2.948   6.241   8.901
   82   1HD2  LEU  24          1HD2      LEU  24  -5.172   8.752   6.576
   83   2HD2  LEU  24          2HD2      LEU  24  -5.318   7.000   6.422
   84   3HD2  LEU  24          3HD2      LEU  24  -5.590   7.775   7.983
   85    H    TYR  25           H        TYR  25  -0.631   8.987   4.393
   86    HA   TYR  25           HA       TYR  25   0.249  11.757   4.304
   87   1HB   TYR  25          1HB       TYR  25   2.469   9.977   4.972
   88   2HB   TYR  25          2HB       TYR  25   2.059  11.552   5.637
   89    HD1  TYR  25           HD1      TYR  25   1.402   7.921   5.922
   90    HD2  TYR  25           HD2      TYR  25   0.970  11.746   7.737
   91    HE1  TYR  25           HE1      TYR  25   0.696   6.842   8.015
   92    HE2  TYR  25           HE2      TYR  25   0.262  10.676   9.835
   93    HH   TYR  25           HH       TYR  25  -0.893   7.878  10.176
   94    H    ASP  26           H        ASP  26   2.520  11.671   3.031
   95    HA   ASP  26           HA       ASP  26   1.992  10.936   0.435
   96   1HB   ASP  26          1HB       ASP  26   4.045  12.224   1.698
   97   2HB   ASP  26          2HB       ASP  26   4.841  10.753   1.145
   98    H    PHE  27           H        PHE  27   3.764   9.427  -0.775
   99    HA   PHE  27           HA       PHE  27   3.217   6.742   0.270
  100   1HB   PHE  27          1HB       PHE  27   3.475   5.956  -1.971
  101   2HB   PHE  27          2HB       PHE  27   2.487   7.411  -2.043
  102    HD1  PHE  27           HD1      PHE  27   3.430   9.507  -2.900
  103    HD2  PHE  27           HD2      PHE  27   5.636   5.866  -2.972
  104    HE1  PHE  27           HE1      PHE  27   4.990  10.492  -4.528
  105    HE2  PHE  27           HE2      PHE  27   7.201   6.848  -4.606
  106    HZ   PHE  27           HZ       PHE  27   6.877   9.163  -5.384
  107    H    GLU  28           H        GLU  28   4.772   5.153   0.454
  108    HA   GLU  28           HA       GLU  28   7.530   6.124   0.696
  109   1HB   GLU  28          1HB       GLU  28   6.363   3.536   1.718
  110   2HB   GLU  28          2HB       GLU  28   7.929   4.224   2.123
  111   1HG   GLU  28          1HG       GLU  28   5.862   6.109   2.725
  112   2HG   GLU  28          2HG       GLU  28   5.494   4.555   3.467
  113    H    ALA  29           H        ALA  29   5.895   4.955  -1.742
  114    HA   ALA  29           HA       ALA  29   7.295   2.588  -2.477
  115   1HB   ALA  29          2HB       ALA  29   6.123   2.683  -4.486
  116   2HB   ALA  29          3HB       ALA  29   5.999   4.442  -4.442
  117   3HB   ALA  29          1HB       ALA  29   5.037   3.460  -3.335
  118    H    LEU  30           H        LEU  30   9.465   2.686  -2.608
  119    HA   LEU  30           HA       LEU  30  10.643   4.808  -4.282
  120   1HB   LEU  30          1HB       LEU  30  12.345   3.256  -2.403
  121   2HB   LEU  30          2HB       LEU  30  12.492   4.921  -2.933
  122    HG   LEU  30           HG       LEU  30  10.257   4.107  -1.108
  123   1HD1  LEU  30          1HD1      LEU  30  13.093   4.757  -0.333
  124   2HD1  LEU  30          2HD1      LEU  30  11.726   4.813   0.780
  125   3HD1  LEU  30          3HD1      LEU  30  12.189   3.287   0.028
  126   1HD2  LEU  30          1HD2      LEU  30  11.172   6.522  -2.302
  127   2HD2  LEU  30          2HD2      LEU  30   9.791   6.270  -1.234
  128   3HD2  LEU  30          3HD2      LEU  30  11.376   6.646  -0.555
  129    H    GLU  31           H        GLU  31   9.786   1.654  -4.335
  130    HA   GLU  31           HA       GLU  31  12.149   0.637  -5.699
  131   1HB   GLU  31          1HB       GLU  31  10.012  -0.534  -4.264
  132   2HB   GLU  31          2HB       GLU  31   9.896  -1.127  -5.915
  133   1HG   GLU  31          1HG       GLU  31  12.617  -1.178  -4.916
  134   2HG   GLU  31          2HG       GLU  31  11.511  -2.127  -3.923
  135    H    GLU  32           H        GLU  32  11.414  -0.849  -7.727
  136    HA   GLU  32           HA       GLU  32  10.267   1.076  -9.617
  137   1HB   GLU  32          1HB       GLU  32  11.347  -0.311 -11.357
  138   2HB   GLU  32          2HB       GLU  32  12.493   0.303 -10.171
  139   1HG   GLU  32          1HG       GLU  32  11.996  -2.030  -9.028
  140   2HG   GLU  32          2HG       GLU  32  11.591  -2.472 -10.685
  141    H    ASP  33           H        ASP  33   9.426  -1.748  -7.970
  142    HA   ASP  33           HA       ASP  33   7.358  -2.383  -9.974
  143   1HB   ASP  33          1HB       ASP  33   9.229  -4.075  -8.646
  144   2HB   ASP  33          2HB       ASP  33   7.616  -4.495  -8.073
  145    H    GLU  34           H        GLU  34   7.358  -0.396  -7.738
  146    HA   GLU  34           HA       GLU  34   5.131  -1.474  -6.154
  147   1HB   GLU  34          1HB       GLU  34   5.713   0.547  -4.653
  148   2HB   GLU  34          2HB       GLU  34   6.763  -0.859  -4.617
  149   1HG   GLU  34          1HG       GLU  34   7.879   1.389  -4.675
  150   2HG   GLU  34          2HG       GLU  34   8.425   0.205  -5.855
  151    H    LEU  35           H        LEU  35   4.057   0.795  -5.174
  152    HA   LEU  35           HA       LEU  35   3.348   2.525  -7.409
  153   1HB   LEU  35          1HB       LEU  35   1.524   1.204  -7.719
  154   2HB   LEU  35          2HB       LEU  35   1.576   0.565  -6.089
  155    HG   LEU  35           HG       LEU  35   0.702   2.891  -5.371
  156   1HD1  LEU  35          1HD1      LEU  35  -0.044   2.901  -8.292
  157   2HD1  LEU  35          2HD1      LEU  35  -0.654   4.015  -7.069
  158   3HD1  LEU  35          3HD1      LEU  35   1.058   4.022  -7.493
  159   1HD2  LEU  35          1HD2      LEU  35  -0.493   0.563  -5.631
  160   2HD2  LEU  35          2HD2      LEU  35  -1.416   2.029  -5.302
  161   3HD2  LEU  35          3HD2      LEU  35  -1.330   1.391  -6.943
  162    H    GLY  36           H        GLY  36   2.887   4.604  -6.767
  163   1HA   GLY  36          1HA       GLY  36   3.686   6.180  -5.087
  164   2HA   GLY  36          2HA       GLY  36   3.064   5.083  -3.867
  165    H    PHE  37           H        PHE  37   1.487   6.071  -2.843
  166    HA   PHE  37           HA       PHE  37  -0.665   7.293  -4.431
  167   1HB   PHE  37          1HB       PHE  37  -1.735   7.094  -1.958
  168   2HB   PHE  37          2HB       PHE  37  -1.879   5.836  -3.180
  169    HD1  PHE  37           HD1      PHE  37  -1.563   3.718  -2.396
  170    HD2  PHE  37           HD2      PHE  37   0.654   6.898  -0.647
  171    HE1  PHE  37           HE1      PHE  37  -0.502   2.124  -0.854
  172    HE2  PHE  37           HE2      PHE  37   1.725   5.309   0.897
  173    HZ   PHE  37           HZ       PHE  37   1.144   2.919   0.795
  174    H    ARG  38           H        ARG  38  -1.916   8.812  -2.579
  175    HA   ARG  38           HA       ARG  38   0.130  10.690  -1.613
  176   1HB   ARG  38          1HB       ARG  38  -2.462  11.572  -2.875
  177   2HB   ARG  38          2HB       ARG  38  -1.079  12.569  -2.439
  178   1HG   ARG  38          1HG       ARG  38   0.144  10.957  -4.152
  179   2HG   ARG  38          2HG       ARG  38  -1.495  10.822  -4.794
  180   1HD   ARG  38          1HD       ARG  38  -0.370  13.514  -4.174
  181   2HD   ARG  38          2HD       ARG  38   0.122  12.690  -5.653
  182    HE   ARG  38           HE       ARG  38  -2.669  12.612  -5.501
  183   1HH1  ARG  38          1HH1      ARG  38  -0.114  14.949  -5.902
  184   2HH1  ARG  38          2HH1      ARG  38  -1.088  16.047  -6.822
  185   1HH2  ARG  38          1HH2      ARG  38  -3.956  14.052  -6.710
  186   2HH2  ARG  38          2HH2      ARG  38  -3.272  15.537  -7.282
  187    H    SER  39           H        SER  39  -0.931  12.381  -0.117
  188    HA   SER  39           HA       SER  39  -1.953  11.084   2.125
  189   1HB   SER  39          1HB       SER  39  -0.824  13.239   2.285
  190   2HB   SER  39          2HB       SER  39  -2.125  14.014   1.379
  191    HG   SER  39           HG       SER  39  -3.352  12.857   3.319
  192    H    GLY  40           H        GLY  40  -3.931  10.515   2.774
  193   1HA   GLY  40          1HA       GLY  40  -6.326  11.825   2.070
  194   2HA   GLY  40          2HA       GLY  40  -6.208  10.242   2.819
  195    H    GLU  41           H        GLU  41  -5.367   8.502   1.158
  196    HA   GLU  41           HA       GLU  41  -7.186   8.689  -1.124
  197   1HB   GLU  41          1HB       GLU  41  -4.309   7.807  -1.398
  198   2HB   GLU  41          2HB       GLU  41  -5.511   7.838  -2.680
  199   1HG   GLU  41          1HG       GLU  41  -4.611  10.289  -1.193
  200   2HG   GLU  41          2HG       GLU  41  -3.869   9.725  -2.688
  201    H    VAL  42           H        VAL  42  -8.202   6.835  -1.635
  202    HA   VAL  42           HA       VAL  42  -7.718   4.537   0.102
  203    HB   VAL  42           HB       VAL  42  -9.960   4.797  -1.891
  204   1HG1  VAL  42          1HG1      VAL  42  -9.177   2.873   0.098
  205   2HG1  VAL  42          2HG1      VAL  42 -10.781   3.516   0.456
  206   3HG1  VAL  42          3HG1      VAL  42 -10.456   2.775  -1.112
  207   1HG2  VAL  42          1HG2      VAL  42  -9.868   5.863   0.929
  208   2HG2  VAL  42          2HG2      VAL  42 -10.045   6.802  -0.553
  209   3HG2  VAL  42          3HG2      VAL  42 -11.332   5.710  -0.043
  210    H    VAL  43           H        VAL  43  -7.012   2.585  -0.599
  211    HA   VAL  43           HA       VAL  43  -6.602   2.225  -3.495
  212    HB   VAL  43           HB       VAL  43  -4.631   1.474  -1.330
  213   1HG1  VAL  43          1HG1      VAL  43  -4.618   1.076  -4.308
  214   2HG1  VAL  43          2HG1      VAL  43  -3.152   1.014  -3.331
  215   3HG1  VAL  43          3HG1      VAL  43  -4.454  -0.140  -3.041
  216   1HG2  VAL  43          1HG2      VAL  43  -4.933   3.858  -3.015
  217   2HG2  VAL  43          2HG2      VAL  43  -4.083   3.646  -1.485
  218   3HG2  VAL  43          3HG2      VAL  43  -3.312   3.161  -2.996
  219    H    GLU  44           H        GLU  44  -6.919   0.170  -4.295
  220    HA   GLU  44           HA       GLU  44  -8.231  -1.701  -2.476
  221   1HB   GLU  44          1HB       GLU  44  -9.459  -1.285  -4.483
  222   2HB   GLU  44          2HB       GLU  44  -8.044  -1.566  -5.486
  223   1HG   GLU  44          1HG       GLU  44  -8.370  -3.767  -5.533
  224   2HG   GLU  44          2HG       GLU  44  -8.735  -3.845  -3.811
  225    H    VAL  45           H        VAL  45  -6.926  -3.075  -1.456
  226    HA   VAL  45           HA       VAL  45  -4.378  -3.850  -2.556
  227    HB   VAL  45           HB       VAL  45  -5.781  -4.774  -0.045
  228   1HG1  VAL  45          1HG1      VAL  45  -3.060  -5.381  -1.155
  229   2HG1  VAL  45          2HG1      VAL  45  -3.400  -5.473   0.573
  230   3HG1  VAL  45          3HG1      VAL  45  -4.284  -6.499  -0.556
  231   1HG2  VAL  45          1HG2      VAL  45  -4.082  -2.477  -0.715
  232   2HG2  VAL  45          2HG2      VAL  45  -5.243  -2.689   0.595
  233   3HG2  VAL  45          3HG2      VAL  45  -3.614  -3.347   0.745
  234    H    LEU  46           H        LEU  46  -3.822  -5.732  -3.498
  235    HA   LEU  46           HA       LEU  46  -5.975  -7.692  -3.922
  236   1HB   LEU  46          1HB       LEU  46  -4.117  -6.398  -5.723
  237   2HB   LEU  46          2HB       LEU  46  -3.979  -8.144  -5.827
  238    HG   LEU  46           HG       LEU  46  -6.531  -6.571  -6.195
  239   1HD1  LEU  46          1HD1      LEU  46  -4.469  -7.598  -8.072
  240   2HD1  LEU  46          2HD1      LEU  46  -6.162  -7.683  -8.559
  241   3HD1  LEU  46          3HD1      LEU  46  -5.441  -6.127  -8.148
  242   1HD2  LEU  46          1HD2      LEU  46  -5.904  -9.505  -6.259
  243   2HD2  LEU  46          2HD2      LEU  46  -7.173  -8.665  -5.367
  244   3HD2  LEU  46          3HD2      LEU  46  -7.288  -8.832  -7.120
  245    H    ASP  47           H        ASP  47  -3.182  -7.231  -2.220
  246    HA   ASP  47           HA       ASP  47  -2.939 -10.045  -1.663
  247   1HB   ASP  47          1HB       ASP  47  -1.365  -9.167  -3.709
  248   2HB   ASP  47          2HB       ASP  47  -0.296  -8.927  -2.329
  249    H    SER  48           H        SER  48  -3.702  -8.985   0.329
  250    HA   SER  48           HA       SER  48  -1.900  -7.297   1.818
  251   1HB   SER  48          1HB       SER  48  -3.599  -8.089   3.710
  252   2HB   SER  48          2HB       SER  48  -4.059  -6.886   2.507
  253    HG   SER  48           HG       SER  48  -5.670  -8.324   2.399
  254    H    SER  49           H        SER  49  -1.765 -10.523   1.073
  255    HA   SER  49           HA       SER  49  -0.919 -11.462   3.647
  256   1HB   SER  49          1HB       SER  49  -0.362 -12.653   0.912
  257   2HB   SER  49          2HB       SER  49  -0.192 -13.475   2.463
  258    HG   SER  49           HG       SER  49  -2.180 -14.052   2.082
  259    H    ASN  50           H        ASN  50   0.796 -10.734   4.550
  260    HA   ASN  50           HA       ASN  50   3.405 -11.015   3.912
  261   1HB   ASN  50          1HB       ASN  50   2.205  -8.799   2.433
  262   2HB   ASN  50          2HB       ASN  50   3.614  -8.310   3.369
  263   1HD2  ASN  50          1HD2      ASN  50   2.835  -8.943   0.421
  264   2HD2  ASN  50          2HD2      ASN  50   4.206  -9.819  -0.148
  265    HA   PRO  51           HA       PRO  51   3.412  -9.048   7.870
  266   1HB   PRO  51          1HB       PRO  51   6.009  -8.882   8.423
  267   2HB   PRO  51          2HB       PRO  51   5.240 -10.449   8.138
  268   1HG   PRO  51          1HG       PRO  51   6.985  -8.837   6.336
  269   2HG   PRO  51          2HG       PRO  51   6.880 -10.596   6.520
  270   1HD   PRO  51          1HD       PRO  51   5.633  -9.036   4.526
  271   2HD   PRO  51          2HD       PRO  51   5.305 -10.741   4.891
  272    H    SER  52           H        SER  52   4.378  -7.146   5.237
  273    HA   SER  52           HA       SER  52   3.968  -4.753   6.728
  274   1HB   SER  52          1HB       SER  52   6.655  -5.742   6.604
  275   2HB   SER  52          2HB       SER  52   6.551  -4.226   5.709
  276    HG   SER  52           HG       SER  52   5.508  -3.345   7.602
  277    H    TRP  53           H        TRP  53   5.257  -6.168   3.741
  278    HA   TRP  53           HA       TRP  53   4.251  -3.801   2.303
  279   1HB   TRP  53          1HB       TRP  53   6.517  -5.675   1.809
  280   2HB   TRP  53          2HB       TRP  53   5.720  -4.947   0.419
  281    HD1  TRP  53           HD1      TRP  53   7.856  -4.030   3.459
  282    HE1  TRP  53           HE1      TRP  53   8.872  -1.696   3.072
  283    HE3  TRP  53           HE3      TRP  53   5.371  -2.767  -0.822
  284    HZ2  TRP  53           HZ2      TRP  53   8.650   0.401   1.194
  285    HZ3  TRP  53           HZ3      TRP  53   5.830  -0.581  -1.853
  286    HH2  TRP  53           HH2      TRP  53   7.436   0.970  -0.865
  287    H    TRP  54           H        TRP  54   2.315  -4.093   1.411
  288    HA   TRP  54           HA       TRP  54   1.661  -6.757   0.334
  289   1HB   TRP  54          1HB       TRP  54  -0.349  -4.601   1.000
  290   2HB   TRP  54          2HB       TRP  54  -0.656  -6.291   0.623
  291    HD1  TRP  54           HD1      TRP  54   1.777  -7.180   2.778
  292    HE1  TRP  54           HE1      TRP  54   1.049  -7.332   5.236
  293    HE3  TRP  54           HE3      TRP  54  -2.407  -4.265   2.559
  294    HZ2  TRP  54           HZ2      TRP  54  -1.013  -6.318   6.883
  295    HZ3  TRP  54           HZ3      TRP  54  -3.698  -3.898   4.620
  296    HH2  TRP  54           HH2      TRP  54  -3.013  -4.904   6.737
  297    H    THR  55           H        THR  55   0.884  -6.942  -1.753
  298    HA   THR  55           HA       THR  55   1.467  -4.683  -3.494
  299    HB   THR  55           HB       THR  55   0.574  -7.440  -4.342
  300    HG1  THR  55           HG1      THR  55   2.777  -6.872  -3.044
  301   1HG2  THR  55          1HG2      THR  55   0.515  -5.552  -5.999
  302   2HG2  THR  55          2HG2      THR  55   2.262  -5.414  -5.804
  303   3HG2  THR  55          3HG2      THR  55   1.562  -6.899  -6.448
  304    H    GLY  56           H        GLY  56  -0.076  -3.282  -4.004
  305   1HA   GLY  56          1HA       GLY  56  -2.596  -2.973  -3.422
  306   2HA   GLY  56          2HA       GLY  56  -2.783  -4.284  -4.578
  307    H    ARG  57           H        ARG  57  -4.133  -2.099  -5.243
  308    HA   ARG  57           HA       ARG  57  -2.424  -0.518  -7.025
  309   1HB   ARG  57          1HB       ARG  57  -4.164  -0.794  -8.839
  310   2HB   ARG  57          2HB       ARG  57  -3.175  -2.212  -8.493
  311   1HG   ARG  57          1HG       ARG  57  -4.938  -3.426  -7.833
  312   2HG   ARG  57          2HG       ARG  57  -5.657  -2.079  -6.947
  313   1HD   ARG  57          1HD       ARG  57  -7.136  -1.827  -8.580
  314   2HD   ARG  57          2HD       ARG  57  -5.817  -1.431  -9.683
  315    HE   ARG  57           HE       ARG  57  -6.480  -4.247  -9.239
  316   1HH1  ARG  57          1HH1      ARG  57  -6.449  -1.454 -11.320
  317   2HH1  ARG  57          2HH1      ARG  57  -6.781  -2.360 -12.758
  318   1HH2  ARG  57          1HH2      ARG  57  -6.915  -5.451 -11.127
  319   2HH2  ARG  57          2HH2      ARG  57  -7.046  -4.634 -12.648
  320    H    LEU  58           H        LEU  58  -2.912   1.567  -7.120
  321    HA   LEU  58           HA       LEU  58  -5.315   2.510  -5.725
  322   1HB   LEU  58          1HB       LEU  58  -3.487   3.577  -4.776
  323   2HB   LEU  58          2HB       LEU  58  -2.622   3.669  -6.301
  324    HG   LEU  58           HG       LEU  58  -5.056   5.275  -6.350
  325   1HD1  LEU  58          1HD1      LEU  58  -4.563   5.436  -3.936
  326   2HD1  LEU  58          2HD1      LEU  58  -2.952   6.030  -4.332
  327   3HD1  LEU  58          3HD1      LEU  58  -4.373   6.971  -4.783
  328   1HD2  LEU  58          1HD2      LEU  58  -2.390   5.280  -7.370
  329   2HD2  LEU  58          2HD2      LEU  58  -3.773   6.260  -7.863
  330   3HD2  LEU  58          3HD2      LEU  58  -2.707   6.822  -6.574
  331    H    HIS  59           H        HIS  59  -6.992   3.184  -6.906
  332    HA   HIS  59           HA       HIS  59  -8.236   4.066  -8.594
  333   1HB   HIS  59          1HB       HIS  59  -6.477   5.910  -8.212
  334   2HB   HIS  59          2HB       HIS  59  -5.727   5.324  -9.686
  335    HD1  HIS  59           HD1      HIS  59  -8.690   4.803 -10.995
  336    HD2  HIS  59           HD2      HIS  59  -7.101   8.311  -9.449
  337    HE1  HIS  59           HE1      HIS  59  -9.964   6.661 -12.115
  338    HE2  HIS  59           HE2      HIS  59  -8.870   8.774 -11.287
  339    H    ASN  60           H        ASN  60  -5.190   3.759 -10.418
  340    HA   ASN  60           HA       ASN  60  -6.170   1.397 -11.781
  341   1HB   ASN  60          1HB       ASN  60  -5.931   4.086 -13.081
  342   2HB   ASN  60          2HB       ASN  60  -5.564   2.645 -14.021
  343   1HD2  ASN  60          1HD2      ASN  60  -7.791   4.725 -13.935
  344   2HD2  ASN  60          2HD2      ASN  60  -9.228   3.773 -13.994
  345    H    LYS  61           H        LYS  61  -3.857   2.519 -10.113
  346    HA   LYS  61           HA       LYS  61  -1.671   1.635 -11.874
  347   1HB   LYS  61          1HB       LYS  61  -1.570   3.453  -9.455
  348   2HB   LYS  61          2HB       LYS  61  -0.173   2.936 -10.390
  349   1HG   LYS  61          1HG       LYS  61  -0.984   4.113 -12.333
  350   2HG   LYS  61          2HG       LYS  61  -2.471   4.541 -11.488
  351   1HD   LYS  61          1HD       LYS  61  -1.480   6.383 -10.744
  352   2HD   LYS  61          2HD       LYS  61  -0.331   5.381  -9.857
  353   1HE   LYS  61          1HE       LYS  61   1.292   6.120 -11.179
  354   2HE   LYS  61          2HE       LYS  61   0.486   5.362 -12.551
  355   1HZ   LYS  61          1HZ       LYS  61  -0.871   7.437 -12.721
  356   2HZ   LYS  61          2HZ       LYS  61   0.161   8.145 -11.582
  357   3HZ   LYS  61          3HZ       LYS  61   0.771   7.636 -13.075
  358    H    LEU  62           H        LEU  62  -0.725  -0.239 -11.345
  359    HA   LEU  62           HA       LEU  62  -1.352  -1.391  -8.720
  360   1HB   LEU  62          1HB       LEU  62  -0.133  -2.964 -10.948
  361   2HB   LEU  62          2HB       LEU  62  -1.187  -3.504  -9.654
  362    HG   LEU  62           HG       LEU  62  -2.819  -1.786 -11.035
  363   1HD1  LEU  62          1HD1      LEU  62  -0.797  -2.925 -12.889
  364   2HD1  LEU  62          2HD1      LEU  62  -2.478  -2.858 -13.419
  365   3HD1  LEU  62          3HD1      LEU  62  -1.642  -1.378 -12.945
  366   1HD2  LEU  62          1HD2      LEU  62  -2.428  -4.759 -11.208
  367   2HD2  LEU  62          2HD2      LEU  62  -3.614  -3.861 -10.261
  368   3HD2  LEU  62          3HD2      LEU  62  -3.757  -3.929 -12.018
  369    H    GLY  63           H        GLY  63   0.181  -1.974  -7.292
  370   1HA   GLY  63          1HA       GLY  63   2.786  -0.855  -7.551
  371   2HA   GLY  63          2HA       GLY  63   2.820  -2.600  -7.749
  372    H    LEU  64           H        LEU  64   4.239  -2.382  -5.839
  373    HA   LEU  64           HA       LEU  64   2.928  -3.241  -3.504
  374   1HB   LEU  64          1HB       LEU  64   5.628  -2.126  -3.158
  375   2HB   LEU  64          2HB       LEU  64   5.002  -3.701  -2.724
  376    HG   LEU  64           HG       LEU  64   5.743  -2.917  -5.535
  377   1HD1  LEU  64          1HD1      LEU  64   7.634  -2.942  -3.813
  378   2HD1  LEU  64          2HD1      LEU  64   7.364  -4.683  -3.733
  379   3HD1  LEU  64          3HD1      LEU  64   7.829  -3.932  -5.260
  380   1HD2  LEU  64          1HD2      LEU  64   4.730  -5.383  -4.230
  381   2HD2  LEU  64          2HD2      LEU  64   4.367  -4.709  -5.819
  382   3HD2  LEU  64          3HD2      LEU  64   5.895  -5.547  -5.544
  383    H    PHE  65           H        PHE  65   3.087  -2.272  -1.351
  384    HA   PHE  65           HA       PHE  65   3.467   0.579  -1.149
  385   1HB   PHE  65          1HB       PHE  65   1.308   1.281  -0.753
  386   2HB   PHE  65          2HB       PHE  65   1.007   0.029  -1.959
  387    HD1  PHE  65           HD1      PHE  65   0.881   0.856   1.617
  388    HD2  PHE  65           HD2      PHE  65  -0.235  -1.935  -1.392
  389    HE1  PHE  65           HE1      PHE  65  -0.607  -0.252   3.212
  390    HE2  PHE  65           HE2      PHE  65  -1.735  -3.056   0.200
  391    HZ   PHE  65           HZ       PHE  65  -1.925  -2.217   2.511
  392    HA   PRO  66           HA       PRO  66   4.450  -0.604   3.011
  393   1HB   PRO  66          1HB       PRO  66   4.275   1.714   4.310
  394   2HB   PRO  66          2HB       PRO  66   5.470   1.497   3.023
  395   1HG   PRO  66          1HG       PRO  66   2.760   2.786   2.873
  396   2HG   PRO  66          2HG       PRO  66   4.312   3.410   2.293
  397   1HD   PRO  66          1HD       PRO  66   2.551   2.180   0.652
  398   2HD   PRO  66          2HD       PRO  66   4.304   2.061   0.427
  399    H    ALA  67           H        ALA  67   2.943  -1.949   3.945
  400    HA   ALA  67           HA       ALA  67   0.264  -1.192   4.505
  401   1HB   ALA  67          3HB       ALA  67   1.146  -3.548   4.198
  402   2HB   ALA  67          1HB       ALA  67   1.739  -3.436   5.854
  403   3HB   ALA  67          2HB       ALA  67   0.013  -3.301   5.526
  404    H    ASN  68           H        ASN  68   3.171  -0.439   6.017
  405    HA   ASN  68           HA       ASN  68   2.028  -0.165   8.676
  406   1HB   ASN  68          1HB       ASN  68   4.154  -0.556   9.255
  407   2HB   ASN  68          2HB       ASN  68   4.680  -0.406   7.583
  408   1HD2  ASN  68          1HD2      ASN  68   4.991   1.834   6.792
  409   2HD2  ASN  68          2HD2      ASN  68   5.657   2.992   7.887
  410    H    TYR  69           H        TYR  69   2.979   1.810   5.942
  411    HA   TYR  69           HA       TYR  69   2.721   4.309   7.301
  412   1HB   TYR  69          1HB       TYR  69   3.846   3.556   4.936
  413   2HB   TYR  69          2HB       TYR  69   2.360   4.316   4.379
  414    HD1  TYR  69           HD1      TYR  69   2.545   6.534   3.815
  415    HD2  TYR  69           HD2      TYR  69   5.011   5.014   6.930
  416    HE1  TYR  69           HE1      TYR  69   3.578   8.751   4.071
  417    HE2  TYR  69           HE2      TYR  69   6.049   7.227   7.195
  418    HH   TYR  69           HH       TYR  69   6.040   9.354   6.556
  419    H    VAL  70           H        VAL  70   0.598   2.367   5.225
  420    HA   VAL  70           HA       VAL  70  -1.596   4.197   5.981
  421    HB   VAL  70           HB       VAL  70  -2.528   4.114   3.876
  422   1HG1  VAL  70          1HG1      VAL  70  -0.084   5.029   3.984
  423   2HG1  VAL  70          2HG1      VAL  70   0.266   3.654   2.936
  424   3HG1  VAL  70          3HG1      VAL  70  -0.905   4.873   2.430
  425   1HG2  VAL  70          1HG2      VAL  70  -1.734   1.403   3.922
  426   2HG2  VAL  70          2HG2      VAL  70  -2.821   2.202   2.787
  427   3HG2  VAL  70          3HG2      VAL  70  -1.095   2.112   2.441
  428    H    ALA  71           H        ALA  71  -3.675   3.267   6.301
  429    HA   ALA  71           HA       ALA  71  -3.592   0.389   6.962
  430   1HB   ALA  71          2HB       ALA  71  -5.674   1.885   8.318
  431   2HB   ALA  71          3HB       ALA  71  -4.429   0.826   8.980
  432   3HB   ALA  71          1HB       ALA  71  -4.064   2.522   8.657
  433    HA   PRO  72           HA       PRO  72  -6.814  -0.559   4.124
  434   1HB   PRO  72          1HB       PRO  72  -8.124  -1.992   6.388
  435   2HB   PRO  72          2HB       PRO  72  -7.751  -2.558   4.754
  436   1HG   PRO  72          1HG       PRO  72  -6.244  -3.330   6.763
  437   2HG   PRO  72          2HG       PRO  72  -5.489  -2.854   5.234
  438   1HD   PRO  72          1HD       PRO  72  -5.706  -1.303   7.794
  439   2HD   PRO  72          2HD       PRO  72  -4.335  -1.436   6.672
  440    H    MET  73           H        MET  73  -9.227  -0.643   3.902
  441    HA   MET  73           HA       MET  73 -10.702   1.180   5.618
  442   1HB   MET  73          1HB       MET  73  -9.349   2.391   3.715
  443   2HB   MET  73          2HB       MET  73 -10.653   1.803   2.694
  444   1HG   MET  73          1HG       MET  73 -11.151   3.396   5.190
  445   2HG   MET  73          2HG       MET  73 -10.886   4.149   3.618
  446   1HE   MET  73          1HE       MET  73 -12.490   4.362   1.810
  447   2HE   MET  73          2HE       MET  73 -12.467   2.639   1.436
  448   3HE   MET  73          3HE       MET  73 -14.006   3.480   1.618
  449    H    MET  74           H        MET  74 -12.363  -0.204   6.019
  450    HA   MET  74           HA       MET  74 -13.409  -1.971   4.026
  451   1HB   MET  74          1HB       MET  74 -13.430  -2.103   6.680
  452   2HB   MET  74          2HB       MET  74 -14.981  -1.301   6.468
  453   1HG   MET  74          1HG       MET  74 -15.905  -3.099   5.338
  454   2HG   MET  74          2HG       MET  74 -14.331  -3.776   4.927
  455   1HE   MET  74          1HE       MET  74 -17.268  -4.022   6.550
  456   2HE   MET  74          2HE       MET  74 -17.064  -5.392   7.643
  457   3HE   MET  74          3HE       MET  74 -16.994  -3.747   8.271
  458    H    ARG  75           H        ARG  75 -14.421  -1.117   2.319
  459    HA   ARG  75           HA       ARG  75 -16.151   1.204   2.644
  460   1HB   ARG  75          1HB       ARG  75 -16.343   1.072   0.152
  461   2HB   ARG  75          2HB       ARG  75 -14.700   1.288   0.742
  462   1HG   ARG  75          1HG       ARG  75 -14.062  -0.841   0.147
  463   2HG   ARG  75          2HG       ARG  75 -15.715  -1.459   0.181
  464   1HD   ARG  75          1HD       ARG  75 -14.984   0.642  -1.806
  465   2HD   ARG  75          2HD       ARG  75 -14.487  -1.024  -2.097
  466    HE   ARG  75           HE       ARG  75 -16.722  -1.629  -2.364
  467   1HH1  ARG  75          1HH1      ARG  75 -16.409   1.732  -1.496
  468   2HH1  ARG  75          2HH1      ARG  75 -18.039   2.128  -1.926
  469   1HH2  ARG  75          1HH2      ARG  75 -18.869  -1.118  -2.933
  470   2HH2  ARG  75          2HH2      ARG  75 -19.439   0.507  -2.742
  471    H1   ALA  76           H1       ALA  76   3.952   7.941  13.116
  472    H2   ALA  76           H2       ALA  76   5.386   8.250  13.958
  473    H3   ALA  76           H3       ALA  76   4.484   9.533  13.323
  474    HA   ALA  76           HA       ALA  76   4.938   8.850  11.092
  475   1HB   ALA  76          3HB       ALA  76   6.846   9.822  12.919
  476   2HB   ALA  76          1HB       ALA  76   7.684   8.679  11.867
  477   3HB   ALA  76          2HB       ALA  76   6.807  10.041  11.170
  478    HA   PRO  77           HA       PRO  77   5.321   4.239  11.453
  479   1HB   PRO  77          1HB       PRO  77   4.099   4.547   8.764
  480   2HB   PRO  77          2HB       PRO  77   3.653   3.462  10.085
  481   1HG   PRO  77          1HG       PRO  77   2.164   5.597   9.511
  482   2HG   PRO  77          2HG       PRO  77   2.433   5.094  11.191
  483   1HD   PRO  77          1HD       PRO  77   3.689   7.332   9.654
  484   2HD   PRO  77          2HD       PRO  77   3.172   7.278  11.353
  485    H    SER  78           H        SER  78   7.150   3.258  10.868
  486    HA   SER  78           HA       SER  78   8.588   4.276   8.510
  487   1HB   SER  78          1HB       SER  78   9.904   4.591  10.497
  488   2HB   SER  78          2HB       SER  78   9.621   2.927  11.010
  489    HG   SER  78           HG       SER  78  11.589   3.840   9.510
  490    H    ILE  79           H        ILE  79   8.743   3.030   6.806
  491    HA   ILE  79           HA       ILE  79   8.304   0.142   7.142
  492    HB   ILE  79           HB       ILE  79   7.002   2.036   5.441
  493   1HG1  ILE  79          1HG1      ILE  79   6.099   0.094   6.813
  494   2HG1  ILE  79          2HG1      ILE  79   5.407   0.317   5.214
  495   1HG2  ILE  79          1HG2      ILE  79   8.604  -0.053   4.003
  496   2HG2  ILE  79          2HG2      ILE  79   7.112   0.606   3.333
  497   3HG2  ILE  79          3HG2      ILE  79   8.476   1.673   3.662
  498   1HD1  ILE  79          1HD1      ILE  79   7.702  -1.510   5.342
  499   2HD1  ILE  79          2HD1      ILE  79   6.253  -2.044   6.194
  500   3HD1  ILE  79          3HD1      ILE  79   6.174  -1.659   4.474
  501    H    ASP  80           H        ASP  80   9.739  -1.253   6.329
  502    HA   ASP  80           HA       ASP  80  12.114  -0.137   4.998
  503   1HB   ASP  80          1HB       ASP  80  11.717  -2.250   7.023
  504   2HB   ASP  80          2HB       ASP  80  12.881  -2.636   5.760
  505    H    ARG  81           H        ARG  81  12.705  -0.839   3.019
  506    HA   ARG  81           HA       ARG  81  10.839  -2.382   1.496
  507   1HB   ARG  81          1HB       ARG  81  13.615  -1.509   0.688
  508   2HB   ARG  81          2HB       ARG  81  12.298  -1.970  -0.382
  509   1HG   ARG  81          1HG       ARG  81  11.205   0.078   1.089
  510   2HG   ARG  81          2HG       ARG  81  12.881   0.587   0.872
  511   1HD   ARG  81          1HD       ARG  81  10.856  -0.093  -1.246
  512   2HD   ARG  81          2HD       ARG  81  11.662   1.450  -0.969
  513    HE   ARG  81           HE       ARG  81  12.715  -0.841  -2.375
  514   1HH1  ARG  81          1HH1      ARG  81  13.448   2.156  -0.752
  515   2HH1  ARG  81          2HH1      ARG  81  14.975   2.360  -1.545
  516   1HH2  ARG  81          1HH2      ARG  81  14.722  -0.579  -3.422
  517   2HH2  ARG  81          2HH2      ARG  81  15.698   0.806  -3.063
  518    H    SER  82           H        SER  82  13.227  -3.277   3.609
  519    HA   SER  82           HA       SER  82  14.322  -5.517   2.200
  520   1HB   SER  82          1HB       SER  82  15.164  -6.142   4.523
  521   2HB   SER  82          2HB       SER  82  15.700  -4.585   3.893
  522    HG   SER  82           HG       SER  82  14.740  -3.659   5.504
  523    H    THR  83           H        THR  83  11.276  -5.061   3.210
  524    HA   THR  83           HA       THR  83  10.905  -7.927   3.764
  525    HB   THR  83           HB       THR  83  10.587  -6.716   5.860
  526    HG1  THR  83           HG1      THR  83   9.234  -8.456   5.681
  527   1HG2  THR  83          1HG2      THR  83   9.588  -4.687   4.318
  528   2HG2  THR  83          2HG2      THR  83   8.128  -5.353   5.048
  529   3HG2  THR  83          3HG2      THR  83   9.449  -4.792   6.073
  530    H    LYS  84           H        LYS  84  10.696  -6.296   1.296
  531    HA   LYS  84           HA       LYS  84   8.021  -5.831   0.583
  532   1HB   LYS  84          1HB       LYS  84  10.600  -6.125  -0.818
  533   2HB   LYS  84          2HB       LYS  84   9.181  -6.493  -1.789
  534   1HG   LYS  84          1HG       LYS  84   8.535  -4.347  -1.894
  535   2HG   LYS  84          2HG       LYS  84   9.009  -4.012  -0.228
  536   1HD   LYS  84          1HD       LYS  84  10.362  -2.742  -1.833
  537   2HD   LYS  84          2HD       LYS  84  11.344  -3.873  -0.901
  538   1HE   LYS  84          1HE       LYS  84  10.569  -5.349  -3.101
  539   2HE   LYS  84          2HE       LYS  84  10.858  -3.743  -3.767
  540   1HZ   LYS  84          1HZ       LYS  84  12.803  -5.148  -2.027
  541   2HZ   LYS  84          2HZ       LYS  84  12.829  -5.257  -3.714
  542   3HZ   LYS  84          3HZ       LYS  84  13.065  -3.761  -2.960
  543    HA   PRO  85           HA       PRO  85   5.983  -9.664  -0.184
  544   1HB   PRO  85          1HB       PRO  85   5.838  -8.902  -3.070
  545   2HB   PRO  85          2HB       PRO  85   4.554  -9.457  -1.989
  546   1HG   PRO  85          1HG       PRO  85   4.751  -6.887  -2.627
  547   2HG   PRO  85          2HG       PRO  85   4.325  -7.379  -0.977
  548   1HD   PRO  85          1HD       PRO  85   6.898  -6.319  -2.034
  549   2HD   PRO  85          2HD       PRO  85   6.147  -6.082  -0.448
  550    H    ALA  86           H        ALA  86   7.618 -11.146   0.125
  551    HA   ALA  86           HA       ALA  86   8.918 -12.119  -2.330
  552   1HB   ALA  86          3HB       ALA  86  10.183 -11.902   0.400
  553   2HB   ALA  86          1HB       ALA  86  10.914 -12.686  -1.000
  554   3HB   ALA  86          2HB       ALA  86  10.594 -10.952  -1.026

  No H/Q in entry =         554