*HEADER    SIGNALING PROTEIN                       20-OCT-03   1UQV
*TITLE     SAM DOMAIN FROM STE50P
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: STE50 PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: SAM DOMAIN, RESIDUES 27-108;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PGEX-2T
*KEYWDS    SAM, STERILE ALPHA MOTIF, HELICAL, PROTEIN-PROTEIN
*KEYWDS   2 INTERACTION DOMAIN, GROWTH ARREST, SIGNALING PROTEIN
*EXPDTA    NMR, 25 STRUCTURES
*AUTHOR    S.J.GRIMSHAW,H.R.MOTT,K.M.STOTT,P.R.NIELSEN,K.A.EVETTS,
*AUTHOR   2 L.J.HOPKINS,D.NIETLISPACH,D.OWEN




 ASSI {  431}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.700      .900      .900 peak   431 spectrum    1 weight   .10000E+01 volume   .31949E-02 ppm1      2.049 ppm2       .897 CV     1
 OR {  431}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 90   and name HG2%)
 OR {  431}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  431}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
 OR {  431}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 90   and name HG2%)
 OR {  431}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 94   and name HG2%)
 OR {  431}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  608}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 69   and name HD2%)
      2.100     2.100     3.900 peak   608 spectrum    1 weight   .10000E+01 volume   .63899E-02 ppm1       .786 ppm2      1.087 CV     1
 OR {  608}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 37   and name HG2%)
 OR {  608}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {  733}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak   733 spectrum    1 weight   .10000E+01 volume   .50131E-03 ppm1      3.284 ppm2       .887 CV     1
 OR {  733}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  733}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  733}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  733}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  756}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak   756 spectrum    1 weight   .10000E+01 volume   .17299E-02 ppm1      2.917 ppm2      7.284 CV     1
 OR {  756}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  778}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
      3.300     1.300     1.300 peak   778 spectrum    1 weight   .10000E+01 volume   .20338E-02 ppm1      1.065 ppm2      1.765 CV     1
 OR {  778}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 70   and name HG  ))
 OR {  778}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 69   and name HG  ))
 ASSI {  829}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.500      .800      .800 peak   829 spectrum    1 weight   .10000E+01 volume   .70108E-02 ppm1      4.414 ppm2      2.771 CV     1
 OR {  829}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  867}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 56   and name HG  ))
      2.300      .600      .600 peak   867 spectrum    1 weight   .10000E+01 volume   .10291E-01 ppm1       .862 ppm2      1.233 CV     1
 OR {  867}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 41   and name HG11))
 OR {  867}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 40   and name HG1%)
 ASSI { 1019}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
      3.500     1.500     1.500 peak  1019 spectrum    1 weight   .10000E+01 volume   .18987E-02 ppm1      1.065 ppm2      1.612 CV     1
 OR { 1019}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1047}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1047 spectrum    1 weight   .10000E+01 volume   .65975E-03 ppm1      1.216 ppm2      3.830 CV     1
 OR { 1047}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1114}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 68   and name HB1 ))
      3.200     1.300     1.300 peak  1114 spectrum    1 weight   .10000E+01 volume   .43638E-03 ppm1      1.077 ppm2      2.525 CV     1
 OR { 1114}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
 OR { 1114}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1139}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
      2.500      .800      .800 peak  1139 spectrum    1 weight   .10000E+01 volume   .54624E-02 ppm1       .858 ppm2      3.659 CV     1
 OR { 1139}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 1735}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 105  and name HA  ))
      3.800     1.800     1.800 peak  1735 spectrum    1 weight   .10000E+01 volume   .78185E-03 ppm1      7.182 ppm2      4.296 CV     1
 OR { 1735}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 103  and name HA  ))
 OR { 1735}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 1914}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
      2.100      .500      .500 peak  1914 spectrum    1 weight   .10000E+01 volume   .13580E-01 ppm1      1.729 ppm2       .870 CV     1
 OR { 1914}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
 OR { 1914}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
 OR { 1914}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 1940}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.600      .900      .900 peak  1940 spectrum    1 weight   .10000E+01 volume   .38105E-02 ppm1      1.371 ppm2      4.008 CV     1
 OR { 1940}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 2006}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      2.600      .900      .900 peak  2006 spectrum    1 weight   .10000E+01 volume   .31559E-02 ppm1      1.915 ppm2      8.073 CV     1
 OR { 2006}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105  and name HN  ))
 OR { 2006}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
 OR { 2006}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 2008}
   (( segid "    " and resid 103  and name HD1 ))
   (( segid "    " and resid 103  and name HA  ))
      3.300     1.400     1.400 peak  2008 spectrum    1 weight   .10000E+01 volume   .17663E-02 ppm1      1.575 ppm2      4.259 CV     1
 OR { 2008}
   (( segid "    " and resid 103  and name HD2 ))
   (( segid "    " and resid 103  and name HA  ))
 OR { 2008}
   (( segid "    " and resid 107  and name HD1 ))
   (( segid "    " and resid 107  and name HA  ))
 OR { 2008}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 2021}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak  2021 spectrum    1 weight   .10000E+01 volume   .70132E-03 ppm1      3.554 ppm2      4.365 CV     1
 OR { 2021}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2316}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.500      .800      .800 peak  2316 spectrum    1 weight   .10000E+01 volume   .59195E-02 ppm1      2.639 ppm2      4.365 CV     1
 OR { 2316}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2321}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.500      .800      .800 peak  2321 spectrum    1 weight   .10000E+01 volume   .41975E-02 ppm1      2.449 ppm2      4.370 CV     1
 OR { 2321}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2373}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500      .800      .800 peak  2373 spectrum    1 weight   .10000E+01 volume   .48521E-02 ppm1      2.836 ppm2      4.705 CV     1
 OR { 2373}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 OR { 2373}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 OR { 2373}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 2417}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 60   and name HD2%)
      2.300      .700      .700 peak  2417 spectrum    1 weight   .10000E+01 volume   .50624E-02 ppm1      6.973 ppm2       .897 CV     1
 OR { 2417}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 81   and name HD2%)
 OR { 2417}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2420}
   (  segid "    " and resid 92   and name HE% )
   (  segid "    " and resid 81   and name HD2%)
      2.500      .800      .800 peak  2420 spectrum    1 weight   .10000E+01 volume   .33248E-02 ppm1      7.215 ppm2       .875 CV     1
 OR { 2420}
   (  segid "    " and resid 92   and name HE% )
   (  segid "    " and resid 60   and name HD2%)
 OR { 2420}
   (  segid "    " and resid 92   and name HE% )
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2421}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 81   and name HB1 ))
      3.200     1.300     1.300 peak  2421 spectrum    1 weight   .10000E+01 volume   .43638E-03 ppm1      7.213 ppm2      1.352 CV     1
 OR { 2421}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 73   and name HB1 ))
 OR { 2421}
   (  segid "    " and resid 92   and name HE% )
   (  segid "    " and resid 89   and name HB% )
 OR { 2421}
   (  segid "    " and resid 92   and name HE% )
   (  segid "    " and resid 40   and name HG1%)
 ASSI { 2423}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 89   and name HA  ))
      3.400     1.400     1.400 peak  2423 spectrum    1 weight   .10000E+01 volume   .10545E-02 ppm1      7.127 ppm2      4.089 CV     1
 OR { 2423}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2426}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 95   and name HB1 ))
      3.900     1.900     1.900 peak  2426 spectrum    1 weight   .10000E+01 volume   .51689E-03 ppm1      7.125 ppm2      1.731 CV     1
 OR { 2426}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 96   and name HB  ))
 OR { 2426}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 93   and name HD2 ))
 ASSI { 2427}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 48   and name HG  ))
      3.600     1.700     1.700 peak  2427 spectrum    1 weight   .10000E+01 volume   .69871E-03 ppm1      7.126 ppm2      1.571 CV     1
 OR { 2427}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 96   and name HG12))
 OR { 2427}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 81   and name HD2%)
      2.600      .900      .900 peak  2429 spectrum    1 weight   .10000E+01 volume   .32884E-02 ppm1      7.126 ppm2       .867 CV     1
 OR { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 60   and name HD1%)
 OR { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 60   and name HD2%)
 OR { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 75   and name HD1%)
 OR { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 94   and name HD1%)
 OR { 2429}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 2430}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 48   and name HD2%)
      2.800     1.000     1.000 peak  2430 spectrum    1 weight   .10000E+01 volume   .25559E-02 ppm1      7.126 ppm2       .736 CV     1
 OR { 2430}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 96   and name HG11))
 OR { 2430}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 2451}
   (( segid "    " and resid 43   and name HZ3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.200     1.300     1.300 peak  2451 spectrum    1 weight   .10000E+01 volume   .13715E-02 ppm1      6.948 ppm2       .769 CV     1
 OR { 2451}
   (( segid "    " and resid 43   and name HZ3 ))
   (  segid "    " and resid 70   and name HD2%)
 OR { 2451}
   (( segid "    " and resid 43   and name HZ3 ))
   (  segid "    " and resid 95   and name HD1%)
 ASSI { 2452}
   (( segid "    " and resid 43   and name HZ3 ))
   (  segid "    " and resid 92   and name HE% )
      3.600     1.600     1.600 peak  2452 spectrum    1 weight   .10000E+01 volume   .10182E-02 ppm1      6.949 ppm2      7.257 CV     1
 OR { 2452}
   (( segid "    " and resid 43   and name HZ3 ))
   (( segid "    " and resid 43   and name HZ2 ))
 ASSI { 2454}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 95   and name HA  ))
      4.000     2.000     2.000 peak  2454 spectrum    1 weight   .10000E+01 volume   .57405E-03 ppm1      7.286 ppm2      4.094 CV     1
 OR { 2454}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 2457}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 95   and name HB1 ))
      3.000     1.100     1.100 peak  2457 spectrum    1 weight   .10000E+01 volume   .21169E-02 ppm1      7.288 ppm2      1.753 CV     1
 OR { 2457}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 99   and name HB1 ))
 OR { 2457}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 95   and name HG  ))
 ASSI { 2458}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 95   and name HB2 ))
      3.200     1.200     1.200 peak  2458 spectrum    1 weight   .10000E+01 volume   .15351E-02 ppm1      7.290 ppm2      2.037 CV     1
 OR { 2458}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 2474}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak  2474 spectrum    1 weight   .10000E+01 volume   .49870E-03 ppm1      3.368 ppm2      8.253 CV     1
 OR { 2474}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 OR { 2474}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2480}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 67   and name HA1 ))
      3.600     1.600     1.600 peak  2480 spectrum    1 weight   .10000E+01 volume   .80000E-03 ppm1      7.128 ppm2      3.583 CV     1
 OR { 2480}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 2488}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  2488 spectrum    1 weight   .10000E+01 volume   .68835E-03 ppm1      6.569 ppm2      4.387 CV     1
 OR { 2488}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2489}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 67   and name HA1 ))
      3.600     1.700     1.700 peak  2489 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1      6.571 ppm2      3.590 CV     1
 OR { 2489}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 2498}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.800     1.800     1.800 peak  2498 spectrum    1 weight   .10000E+01 volume   .66237E-03 ppm1      7.007 ppm2      1.989 CV     1
 OR { 2498}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 2498}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2498}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 99   and name HE% )
 ASSI { 2499}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.700     1.700     1.700 peak  2499 spectrum    1 weight   .10000E+01 volume   .57666E-03 ppm1      7.009 ppm2      1.743 CV     1
 OR { 2499}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 99   and name HB1 ))
 OR { 2499}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 100  and name HB1 ))
 OR { 2499}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2500}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.700     1.700     1.700 peak  2500 spectrum    1 weight   .10000E+01 volume   .60004E-03 ppm1      7.008 ppm2      1.510 CV     1
 OR { 2500}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2510}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 100  and name HA  ))
      3.700     1.700     1.700 peak  2510 spectrum    1 weight   .10000E+01 volume   .63120E-03 ppm1      6.956 ppm2      4.039 CV     1
 OR { 2510}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2511}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
      3.900     1.900     1.900 peak  2511 spectrum    1 weight   .10000E+01 volume   .52469E-03 ppm1      6.957 ppm2      3.524 CV     1
 OR { 2511}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 67   and name HA1 ))
 ASSI { 2512}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      3.400     1.400     1.400 peak  2512 spectrum    1 weight   .10000E+01 volume   .11299E-02 ppm1      6.960 ppm2      1.995 CV     1
 OR { 2512}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 100  and name HB2 ))
 OR { 2512}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2513}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak  2513 spectrum    1 weight   .10000E+01 volume   .86756E-03 ppm1      6.960 ppm2      1.759 CV     1
 OR { 2513}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 100  and name HG2 ))
 OR { 2513}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2514}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 71   and name HG1 ))
      3.500     1.500     1.500 peak  2514 spectrum    1 weight   .10000E+01 volume   .86238E-03 ppm1      6.962 ppm2      1.548 CV     1
 OR { 2514}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 2522}
   (( segid "    " and resid 43   and name HH2 ))
   (( segid "    " and resid 95   and name HB1 ))
      3.200     1.300     1.300 peak  2522 spectrum    1 weight   .10000E+01 volume   .10338E-02 ppm1      6.824 ppm2      1.754 CV     1
 OR { 2522}
   (( segid "    " and resid 43   and name HH2 ))
   (( segid "    " and resid 96   and name HB  ))
 OR { 2522}
   (( segid "    " and resid 43   and name HH2 ))
   (( segid "    " and resid 95   and name HG  ))
 ASSI { 2524}
   (( segid "    " and resid 43   and name HH2 ))
   (( segid "    " and resid 96   and name HG11))
      3.100     1.200     1.200 peak  2524 spectrum    1 weight   .10000E+01 volume   .14494E-02 ppm1      6.826 ppm2       .733 CV     1
 OR { 2524}
   (( segid "    " and resid 43   and name HH2 ))
   (  segid "    " and resid 95   and name HD1%)
 OR { 2524}
   (( segid "    " and resid 43   and name HH2 ))
   (  segid "    " and resid 95   and name HD2%)
 ASSI { 2525}
   (( segid "    " and resid 43   and name HH2 ))
   (  segid "    " and resid 47   and name HG2%)
      4.000     2.000     2.000 peak  2525 spectrum    1 weight   .10000E+01 volume   .48573E-03 ppm1      6.829 ppm2       .961 CV     1
 OR { 2525}
   (( segid "    " and resid 43   and name HH2 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 2528}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.800     1.800     1.800 peak  2528 spectrum    1 weight   .10000E+01 volume   .54027E-03 ppm1      7.924 ppm2       .782 CV     1
 OR { 2528}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 70   and name HD2%)
 OR { 2528}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 95   and name HD1%)
 ASSI { 2530}
   (( segid "    " and resid 43   and name HZ3 ))
   (( segid "    " and resid 96   and name HA  ))
      4.500     2.500     1.500 peak  2530 spectrum    1 weight   .10000E+01 volume   .45196E-03 ppm1      6.944 ppm2      3.557 CV     1
 OR { 2530}
   (( segid "    " and resid 43   and name HZ3 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 2539}
   (( segid "    " and resid 35   and name HZ2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     3.200     2.800 peak  2539 spectrum    1 weight   .10000E+01 volume   .46754E-03 ppm1      7.302 ppm2      4.303 CV     1
 OR { 2539}
   (( segid "    " and resid 35   and name HZ2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2655}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HD22))
      2.900     1.000     1.000 peak  2655 spectrum    1 weight   .10000E+01 volume   .23585E-02 ppm1      2.952 ppm2      7.846 CV     1
 OR { 2655}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 2656}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HD22))
      3.100     1.200     1.200 peak  2656 spectrum    1 weight   .10000E+01 volume   .22832E-02 ppm1      2.786 ppm2      7.851 CV     1
 OR { 2656}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 2699}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 92   and name HZ  ))
      3.400     1.500     1.500 peak  2699 spectrum    1 weight   .10000E+01 volume   .91692E-03 ppm1       .239 ppm2      6.987 CV     1
 OR { 2699}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 43   and name HZ3 ))
 ASSI { 2700}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  2700 spectrum    1 weight   .10000E+01 volume   .10026E-02 ppm1       .241 ppm2      4.044 CV     1
 OR { 2700}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR { 2700}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 2703}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 93   and name HB2 ))
      2.800     1.000     1.000 peak  2703 spectrum    1 weight   .10000E+01 volume   .10442E-02 ppm1       .236 ppm2      2.051 CV     1
 OR { 2703}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 95   and name HB2 ))
 OR { 2703}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 2713}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      3.600     1.600     1.600 peak  2713 spectrum    1 weight   .10000E+01 volume   .96105E-03 ppm1       .926 ppm2      8.101 CV     1
 OR { 2713}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 2715}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  2715 spectrum    1 weight   .10000E+01 volume   .38521E-02 ppm1       .932 ppm2      8.418 CV     1
 OR { 2715}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 2717}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak  2717 spectrum    1 weight   .10000E+01 volume   .39637E-02 ppm1       .930 ppm2      3.938 CV     1
 OR { 2717}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 91   and name HA  ))
 ASSI { 2718}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HB  ))
      1.900      .400      .400 peak  2718 spectrum    1 weight   .10000E+01 volume   .19304E-01 ppm1       .922 ppm2      1.945 CV     1
 OR { 2718}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HB  ))
 ASSI { 2719}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      2.200      .600      .600 peak  2719 spectrum    1 weight   .10000E+01 volume   .97900E-02 ppm1       .929 ppm2      3.680 CV     1
 OR { 2719}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HA  ))
 ASSI { 2720}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HE2 ))
      2.600      .900      .900 peak  2720 spectrum    1 weight   .10000E+01 volume   .43612E-02 ppm1       .923 ppm2      2.981 CV     1
 OR { 2720}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HE1 ))
 OR { 2720}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 2723}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HD1 ))
      2.300      .700      .700 peak  2723 spectrum    1 weight   .10000E+01 volume   .82677E-02 ppm1       .925 ppm2      1.689 CV     1
 OR { 2723}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HD2 ))
 OR { 2723}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HB1 ))
 OR { 2723}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 98   and name HG2 ))
 OR { 2723}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 86   and name HG  ))
 ASSI { 2737}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      4.100     2.100     1.900 peak  2737 spectrum    1 weight   .10000E+01 volume   .57923E-03 ppm1       .861 ppm2      8.111 CV     1
 OR { 2737}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 2739}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 87   and name HD22))
      3.100     1.200     1.200 peak  2739 spectrum    1 weight   .10000E+01 volume   .52730E-03 ppm1       .866 ppm2      7.829 CV     1
 OR { 2739}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 2745}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
      3.000     3.000     3.000 peak  2745 spectrum    1 weight   .10000E+01 volume   .88832E-03 ppm1       .864 ppm2      2.946 CV     1
 OR { 2745}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 93   and name HE1 ))
 OR { 2745}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 91   and name HE1 ))
 ASSI { 2746}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak  2746 spectrum    1 weight   .10000E+01 volume   .78441E-03 ppm1       .836 ppm2      2.970 CV     1
 OR { 2746}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 91   and name HE2 ))
 OR { 2746}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 91   and name HE1 ))
 OR { 2746}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 97   and name HB2 ))
 OR { 2746}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 98   and name HE1 ))
 OR { 2746}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 93   and name HE1 ))
 OR { 2746}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 93   and name HE2 ))
 OR { 2746}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 91   and name HE1 ))
 ASSI { 2762}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 69   and name HG  ))
      2.700     2.700     3.300 peak  2762 spectrum    1 weight   .10000E+01 volume   .58130E-02 ppm1       .981 ppm2      1.721 CV     1
 OR { 2762}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 70   and name HG  ))
 ASSI { 2765}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak  2765 spectrum    1 weight   .10000E+01 volume   .71691E-03 ppm1       .933 ppm2      8.304 CV     1
 OR { 2765}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2769}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      2.800      .900      .900 peak  2769 spectrum    1 weight   .10000E+01 volume   .31066E-02 ppm1       .932 ppm2      4.077 CV     1
 OR { 2769}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 2774}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HB  ))
      3.100     1.200     1.200 peak  2774 spectrum    1 weight   .10000E+01 volume   .80522E-03 ppm1       .931 ppm2      2.671 CV     1
 OR { 2774}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 38   and name HB2 ))
 OR { 2774}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2775}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 45   and name HG2%)
      2.800     2.800     3.200 peak  2775 spectrum    1 weight   .10000E+01 volume   .30390E-02 ppm1      1.180 ppm2       .899 CV     1
 OR { 2775}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 45   and name HG2%)
 OR { 2775}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2776}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 65   and name HB  ))
      3.700     1.700     1.700 peak  2776 spectrum    1 weight   .10000E+01 volume   .78703E-03 ppm1       .935 ppm2      2.272 CV     1
 OR { 2776}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 58   and name HG1 ))
 OR { 2776}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2776}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 52   and name HG1 ))
 OR { 2776}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 62   and name HG1 ))
 ASSI { 2786}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HB  ))
      3.200     1.300     1.300 peak  2786 spectrum    1 weight   .10000E+01 volume   .53765E-03 ppm1       .812 ppm2      4.217 CV     1
 OR { 2786}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR { 2786}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 2786}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2788}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      2.700      .900      .900 peak  2788 spectrum    1 weight   .10000E+01 volume   .34988E-02 ppm1       .814 ppm2      3.814 CV     1
 OR { 2788}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 2804}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  2804 spectrum    1 weight   .10000E+01 volume   .13767E-02 ppm1      1.065 ppm2      4.014 CV     1
 OR { 2804}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
 OR { 2804}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
 OR { 2804}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2805}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      2.700      .900      .900 peak  2805 spectrum    1 weight   .10000E+01 volume   .27897E-02 ppm1      1.066 ppm2      3.820 CV     1
 OR { 2805}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 2810}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 52   and name HG2 ))
      3.300     1.400     1.400 peak  2810 spectrum    1 weight   .10000E+01 volume   .16234E-02 ppm1      1.066 ppm2      2.275 CV     1
 OR { 2810}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 52   and name HG1 ))
 OR { 2810}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2821}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak  2821 spectrum    1 weight   .10000E+01 volume   .96628E-03 ppm1      1.371 ppm2      4.435 CV     1
 OR { 2821}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 2825}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 82   and name HB1 ))
      2.300     2.300     3.700 peak  2825 spectrum    1 weight   .10000E+01 volume   .37092E-02 ppm1      1.370 ppm2      2.893 CV     1
 OR { 2825}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
 OR { 2825}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 93   and name HE1 ))
 ASSI { 2827}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 79   and name HG1 ))
      2.300      .700      .700 peak  2827 spectrum    1 weight   .10000E+01 volume   .71636E-02 ppm1      1.370 ppm2      1.905 CV     1
 OR { 2827}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 90   and name HG12))
 OR { 2827}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 90   and name HB  ))
 ASSI { 2828}
   (  segid "    " and resid 89   and name HB% )
   (  segid "    " and resid 86   and name HD1%)
      2.300      .700      .700 peak  2828 spectrum    1 weight   .10000E+01 volume   .11273E-01 ppm1      1.370 ppm2       .891 CV     1
 OR { 2828}
   (  segid "    " and resid 89   and name HB% )
   (  segid "    " and resid 75   and name HD1%)
 OR { 2828}
   (  segid "    " and resid 89   and name HB% )
   (  segid "    " and resid 75   and name HD2%)
 OR { 2828}
   (  segid "    " and resid 89   and name HB% )
   (  segid "    " and resid 90   and name HD1%)
 ASSI { 2829}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 86   and name HB1 ))
      2.700     2.700     3.300 peak  2829 spectrum    1 weight   .10000E+01 volume   .41196E-02 ppm1      1.371 ppm2      1.594 CV     1
 OR { 2829}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2829}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 2830}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 88   and name HB1 ))
      2.800     1.000     1.000 peak  2830 spectrum    1 weight   .10000E+01 volume   .34702E-02 ppm1      1.371 ppm2      1.677 CV     1
 OR { 2830}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 86   and name HG  ))
 OR { 2830}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 86   and name HB1 ))
 OR { 2830}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 2833}
   (  segid "    " and resid 96   and name HG2%)
   (  segid "    " and resid 92   and name HE% )
      3.700     1.800     1.800 peak  2833 spectrum    1 weight   .10000E+01 volume   .83121E-03 ppm1       .564 ppm2      7.207 CV     1
 OR { 2833}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HE  ))
 ASSI { 2835}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 43   and name HH2 ))
      4.100     2.100     1.900 peak  2835 spectrum    1 weight   .10000E+01 volume   .52986E-03 ppm1       .565 ppm2      6.863 CV     1
 OR { 2835}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 97   and name HD21))
 ASSI { 2836}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      2.700     2.700     3.300 peak  2836 spectrum    1 weight   .10000E+01 volume   .36936E-02 ppm1       .565 ppm2      4.083 CV     1
 OR { 2836}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
 OR { 2836}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 2840}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 99   and name HB2 ))
      2.900     1.100     1.100 peak  2840 spectrum    1 weight   .10000E+01 volume   .22416E-02 ppm1       .566 ppm2      2.000 CV     1
 OR { 2840}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 98   and name HB2 ))
 OR { 2840}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 98   and name HB1 ))
 ASSI { 2849}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  2849 spectrum    1 weight   .10000E+01 volume   .26105E-02 ppm1       .530 ppm2      3.661 CV     1
 OR { 2849}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 2858}
   (  segid "    " and resid 56   and name HD1%)
   (  segid "    " and resid 60   and name HD1%)
      3.300     1.400     1.400 peak  2858 spectrum    1 weight   .10000E+01 volume   .10182E-02 ppm1       .248 ppm2       .862 CV     1
 OR { 2858}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 45   and name HG11))
 OR { 2858}
   (  segid "    " and resid 56   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2860}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 88   and name HE1 ))
      3.200     1.300     1.300 peak  2860 spectrum    1 weight   .10000E+01 volume   .46495E-03 ppm1       .255 ppm2      2.854 CV     1
 OR { 2860}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2862}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  2862 spectrum    1 weight   .10000E+01 volume   .97146E-03 ppm1       .563 ppm2      7.221 CV     1
 OR { 2862}
   (  segid "    " and resid 56   and name HD2%)
   (  segid "    " and resid 92   and name HE% )
 ASSI { 2865}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak  2865 spectrum    1 weight   .10000E+01 volume   .97146E-03 ppm1       .560 ppm2      4.014 CV     1
 OR { 2865}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 OR { 2865}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
 OR { 2865}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2868}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 50   and name HB  ))
      3.500     1.500     1.500 peak  2868 spectrum    1 weight   .10000E+01 volume   .74289E-03 ppm1       .559 ppm2      2.311 CV     1
 OR { 2868}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
 OR { 2868}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2868}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 2869}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 49   and name HB1 ))
      2.600      .800      .800 peak  2869 spectrum    1 weight   .10000E+01 volume   .33144E-02 ppm1       .561 ppm2      2.010 CV     1
 OR { 2869}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2869}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 2882}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 88   and name HA  ))
      3.400     1.400     1.400 peak  2882 spectrum    1 weight   .10000E+01 volume   .10026E-02 ppm1       .642 ppm2      3.911 CV     1
 OR { 2882}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
 ASSI { 2884}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 88   and name HE2 ))
      3.000     1.100     1.100 peak  2884 spectrum    1 weight   .10000E+01 volume   .15169E-02 ppm1       .643 ppm2      2.938 CV     1
 OR { 2884}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 91   and name HE1 ))
 OR { 2884}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 91   and name HE2 ))
 ASSI { 2885}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 91   and name HB1 ))
      2.800     1.000     1.000 peak  2885 spectrum    1 weight   .10000E+01 volume   .33040E-02 ppm1       .641 ppm2      1.875 CV     1
 OR { 2885}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 49   and name HG1 ))
 OR { 2885}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2885}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 95   and name HG  ))
 ASSI { 2893}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 43   and name HZ3 ))
      4.100     2.100     1.900 peak  2893 spectrum    1 weight   .10000E+01 volume   .41820E-03 ppm1       .683 ppm2      6.966 CV     1
 OR { 2893}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 92   and name HZ  ))
 ASSI { 2897}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 88   and name HE2 ))
      3.300     1.300     1.300 peak  2897 spectrum    1 weight   .10000E+01 volume   .10286E-02 ppm1       .683 ppm2      2.933 CV     1
 OR { 2897}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 91   and name HE1 ))
 OR { 2897}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 91   and name HE2 ))
 ASSI { 2899}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 91   and name HB1 ))
      2.600     2.600     3.400 peak  2899 spectrum    1 weight   .10000E+01 volume   .40806E-02 ppm1       .683 ppm2      1.865 CV     1
 OR { 2899}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 95   and name HG  ))
 OR { 2899}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2900}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 56   and name HD1%)
      2.800     1.000     1.000 peak  2900 spectrum    1 weight   .10000E+01 volume   .36079E-02 ppm1       .639 ppm2       .266 CV     1
 OR { 2900}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2901}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 56   and name HD1%)
      2.700      .900      .900 peak  2901 spectrum    1 weight   .10000E+01 volume   .42780E-02 ppm1       .680 ppm2       .268 CV     1
 OR { 2901}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2910}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.100     1.100 peak  2910 spectrum    1 weight   .10000E+01 volume   .38702E-02 ppm1      1.065 ppm2      7.758 CV     1
 OR { 2910}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2911}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak  2911 spectrum    1 weight   .10000E+01 volume   .70911E-03 ppm1      1.066 ppm2      7.539 CV     1
 OR { 2911}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2914}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak  2914 spectrum    1 weight   .10000E+01 volume   .25741E-02 ppm1      1.079 ppm2      4.816 CV     1
 OR { 2914}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 2920}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 68   and name HB1 ))
      3.600     1.600     1.600 peak  2920 spectrum    1 weight   .10000E+01 volume   .13039E-02 ppm1      1.066 ppm2      2.500 CV     1
 OR { 2920}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2929}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 66   and name HB  ))
      3.200     1.300     1.300 peak  2929 spectrum    1 weight   .10000E+01 volume   .41560E-03 ppm1      1.071 ppm2      2.711 CV     1
 OR { 2929}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2931}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 65   and name HB  ))
      3.100     3.100     2.900 peak  2931 spectrum    1 weight   .10000E+01 volume   .52730E-03 ppm1      1.073 ppm2      2.186 CV     1
 OR { 2931}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 2934}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 65   and name HG11))
      2.600     2.600     3.400 peak  2934 spectrum    1 weight   .10000E+01 volume   .16780E-02 ppm1      1.074 ppm2      1.404 CV     1
 OR { 2934}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 2945}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      2.100      .500      .500 peak  2945 spectrum    1 weight   .10000E+01 volume   .14141E-01 ppm1      1.183 ppm2      4.182 CV     1
 OR { 2945}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 3004}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      2.200      .600      .600 peak  3004 spectrum    1 weight   .10000E+01 volume   .90420E-02 ppm1      1.004 ppm2      4.098 CV     1
 OR { 3004}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 3006}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 40   and name HB  ))
      3.600     1.600     1.600 peak  3006 spectrum    1 weight   .10000E+01 volume   .92210E-03 ppm1      1.005 ppm2      2.683 CV     1
 OR { 3006}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HB2 ))
 ASSI { 3007}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HB1 ))
      4.100     2.100     1.900 peak  3007 spectrum    1 weight   .10000E+01 volume   .79482E-03 ppm1      1.005 ppm2      2.469 CV     1
 OR { 3007}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 3011}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
      3.000     1.100     1.100 peak  3011 spectrum    1 weight   .10000E+01 volume   .27273E-02 ppm1      1.004 ppm2      1.314 CV     1
 OR { 3011}
   (  segid "    " and resid 37   and name HG1%)
   (  segid "    " and resid 40   and name HG1%)
 OR { 3011}
   (  segid "    " and resid 37   and name HG1%)
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 3027}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak  3027 spectrum    1 weight   .10000E+01 volume   .70132E-03 ppm1       .787 ppm2      8.574 CV     1
 OR { 3027}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 OR { 3027}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3030}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 43   and name HZ2 ))
      2.700      .900      .900 peak  3030 spectrum    1 weight   .10000E+01 volume   .25299E-02 ppm1       .787 ppm2      7.303 CV     1
 OR { 3030}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 63   and name HD21))
 ASSI { 3031}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
      2.200      .600      .600 peak  3031 spectrum    1 weight   .10000E+01 volume   .15826E-01 ppm1       .787 ppm2      4.035 CV     1
 OR { 3031}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 3032}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 47   and name HB  ))
      2.600     2.600     3.400 peak  3032 spectrum    1 weight   .10000E+01 volume   .17819E-02 ppm1       .792 ppm2      3.247 CV     1
 OR { 3032}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
 OR { 3032}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 92   and name HB2 ))
 ASSI { 3035}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.400     2.400     3.600 peak  3035 spectrum    1 weight   .10000E+01 volume   .24053E-02 ppm1       .786 ppm2      2.322 CV     1
 OR { 3035}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 62   and name HG1 ))
 OR { 3035}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 3045}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HB2 ))
      1.800      .400      .400 peak  3045 spectrum    1 weight   .10000E+01 volume   .97121E-02 ppm1      1.369 ppm2      2.014 CV     1
 OR { 3045}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 3083}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.000     1.000 peak  3083 spectrum    1 weight   .10000E+01 volume   .22235E-02 ppm1      1.959 ppm2      8.075 CV     1
 OR { 3083}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 3087}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HN  ))
      2.700      .900      .900 peak  3087 spectrum    1 weight   .10000E+01 volume   .38105E-02 ppm1      4.009 ppm2      7.978 CV     1
 OR { 3087}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
 OR { 3087}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 3122}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak  3122 spectrum    1 weight   .10000E+01 volume   .11897E-02 ppm1       .877 ppm2      8.099 CV     1
 OR { 3122}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 3124}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 101  and name HN  ))
      3.000     3.000     3.000 peak  3124 spectrum    1 weight   .10000E+01 volume   .63377E-03 ppm1      1.921 ppm2      8.138 CV     1
 OR { 3124}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 98   and name HN  ))
 OR { 3124}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 31   and name HN  ))
 OR { 3124}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 3125}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 35   and name HZ2 ))
      2.700      .900      .900 peak  3125 spectrum    1 weight   .10000E+01 volume   .11689E-02 ppm1      1.925 ppm2      7.320 CV     1
 OR { 3125}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 43   and name HZ2 ))
 ASSI { 3128}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 96   and name HA  ))
      3.100     3.100     2.900 peak  3128 spectrum    1 weight   .10000E+01 volume   .51172E-03 ppm1      1.925 ppm2      3.582 CV     1
 OR { 3128}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 3129}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 43   and name HB1 ))
      2.800     2.800     3.200 peak  3129 spectrum    1 weight   .10000E+01 volume   .10805E-02 ppm1      1.926 ppm2      2.843 CV     1
 OR { 3129}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 28   and name HB2 ))
 OR { 3129}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 28   and name HB1 ))
 OR { 3129}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 29   and name HB2 ))
 OR { 3129}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 29   and name HB2 ))
 OR { 3129}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 29   and name HB1 ))
 OR { 3129}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 3172}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 91   and name HE1 ))
      2.800     1.000     1.000 peak  3172 spectrum    1 weight   .10000E+01 volume   .97925E-03 ppm1       .711 ppm2      2.945 CV     1
 OR { 3172}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 91   and name HE2 ))
 OR { 3172}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 98   and name HE1 ))
 ASSI { 3183}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak  3183 spectrum    1 weight   .10000E+01 volume   .16000E-02 ppm1      1.788 ppm2      3.575 CV     1
 OR { 3183}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 67   and name HA1 ))
 ASSI { 3213}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.600     1.600     1.600 peak  3213 spectrum    1 weight   .10000E+01 volume   .12026E-02 ppm1      1.938 ppm2      8.456 CV     1
 OR { 3213}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 3230}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.200      .600      .600 peak  3230 spectrum    1 weight   .10000E+01 volume   .87017E-02 ppm1       .877 ppm2      1.894 CV     1
 OR { 3230}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3238}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.400     1.400 peak  3238 spectrum    1 weight   .10000E+01 volume   .15351E-02 ppm1      2.906 ppm2      1.911 CV     1
 OR { 3238}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 3239}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 81   and name HB2 ))
      3.700     1.700     1.700 peak  3239 spectrum    1 weight   .10000E+01 volume   .97925E-03 ppm1      2.736 ppm2      1.945 CV     1
 OR { 3239}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 3331}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700      .900      .900 peak  3331 spectrum    1 weight   .10000E+01 volume   .27299E-02 ppm1      4.034 ppm2      8.601 CV     1
 OR { 3331}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 OR { 3331}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 3331}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3332}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.200      .600      .600 peak  3332 spectrum    1 weight   .10000E+01 volume   .10995E-01 ppm1      4.037 ppm2      2.167 CV     1
 OR { 3332}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
 OR { 3332}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 3351}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak  3351 spectrum    1 weight   .10000E+01 volume   .17663E-02 ppm1      2.032 ppm2      1.389 CV     1
 OR { 3351}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 3353}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD1%)
      2.100      .600      .600 peak  3353 spectrum    1 weight   .10000E+01 volume   .95770E-02 ppm1      2.035 ppm2       .875 CV     1
 OR { 3353}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD2%)
 OR { 3353}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 60   and name HD2%)
 OR { 3353}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 3362}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HZ2 ))
      2.800     1.000     1.000 peak  3362 spectrum    1 weight   .10000E+01 volume   .25663E-02 ppm1       .963 ppm2      7.302 CV     1
 OR { 3362}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 3424}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 90   and name HD1%)
      4.400     2.400     1.600 peak  3424 spectrum    1 weight   .10000E+01 volume   .78703E-03 ppm1      2.946 ppm2       .901 CV     1
 OR { 3424}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 3426}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      4.200     2.200     1.800 peak  3426 spectrum    1 weight   .10000E+01 volume   .65457E-03 ppm1      3.258 ppm2      4.283 CV     1
 OR { 3426}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 3427}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      4.500     2.600     1.500 peak  3427 spectrum    1 weight   .10000E+01 volume   .52469E-03 ppm1      3.226 ppm2      4.284 CV     1
 OR { 3427}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 3431}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.500      .800      .800 peak  3431 spectrum    1 weight   .10000E+01 volume   .48858E-02 ppm1      1.921 ppm2      4.298 CV     1
 OR { 3431}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 3434}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 101  and name HB2 ))
      3.600     1.600     1.600 peak  3434 spectrum    1 weight   .10000E+01 volume   .43638E-03 ppm1      4.009 ppm2      2.833 CV     1
 OR { 3434}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 103  and name HE2 ))
 OR { 3434}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 103  and name HE1 ))
 OR { 3434}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 103  and name HE2 ))
 OR { 3434}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 103  and name HE1 ))
 ASSI { 3450}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 95   and name HA  ))
      4.000     2.000     2.000 peak  3450 spectrum    1 weight   .10000E+01 volume   .59481E-03 ppm1      3.545 ppm2      4.099 CV     1
 OR { 3450}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 3451}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB  ))
      2.700      .900      .900 peak  3451 spectrum    1 weight   .10000E+01 volume   .31897E-02 ppm1      3.547 ppm2      1.768 CV     1
 OR { 3451}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 3453}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.900     1.100     1.100 peak  3453 spectrum    1 weight   .10000E+01 volume   .15974E-02 ppm1      3.544 ppm2      1.997 CV     1
 OR { 3453}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 3458}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  3458 spectrum    1 weight   .10000E+01 volume   .18831E-02 ppm1      1.765 ppm2      7.920 CV     1
 OR { 3458}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
 ASSI { 3491}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HD1 ))
      4.000     2.000     2.000 peak  3491 spectrum    1 weight   .10000E+01 volume   .70132E-03 ppm1      2.836 ppm2      1.725 CV     1
 OR { 3491}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 96   and name HB  ))
 OR { 3491}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
 OR { 3491}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HD2 ))
 OR { 3491}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HG2 ))
 ASSI { 3494}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HB2 ))
      4.400     2.400     1.600 peak  3494 spectrum    1 weight   .10000E+01 volume   .58702E-03 ppm1      3.025 ppm2      1.950 CV     1
 OR { 3494}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 3494}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HB1 ))
 ASSI { 3495}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 96   and name HB  ))
      4.100     2.100     1.900 peak  3495 spectrum    1 weight   .10000E+01 volume   .56887E-03 ppm1      3.030 ppm2      1.720 CV     1
 OR { 3495}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
 OR { 3495}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HD2 ))
 OR { 3495}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HG2 ))
 ASSI { 3496}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HB  ))
      2.500      .800      .800 peak  3496 spectrum    1 weight   .10000E+01 volume   .45923E-02 ppm1      3.792 ppm2      1.726 CV     1
 OR { 3496}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HD2 ))
 ASSI { 3504}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 50   and name HG1%)
      3.400     1.400     1.400 peak  3504 spectrum    1 weight   .10000E+01 volume   .96105E-03 ppm1      3.093 ppm2       .563 CV     1
 OR { 3504}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HD2%)
 ASSI { 3534}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 89   and name HB% )
      3.300     1.400     1.400 peak  3534 spectrum    1 weight   .10000E+01 volume   .13585E-02 ppm1      3.642 ppm2      1.414 CV     1
 OR { 3534}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HG2 ))
 OR { 3534}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HG1 ))
 ASSI { 3548}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.600     1.600 peak  3548 spectrum    1 weight   .10000E+01 volume   .11429E-02 ppm1      3.792 ppm2       .879 CV     1
 OR { 3548}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
 OR { 3548}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3548}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
 ASSI { 3552}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      3.500     1.600     1.600 peak  3552 spectrum    1 weight   .10000E+01 volume   .71691E-03 ppm1      3.792 ppm2      8.444 CV     1
 OR { 3552}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 3562}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 89   and name HB% )
      3.900     1.900     1.900 peak  3562 spectrum    1 weight   .10000E+01 volume   .61300E-03 ppm1      3.141 ppm2      1.409 CV     1
 OR { 3562}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 93   and name HG1 ))
 OR { 3562}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 3567}
   (( segid "    " and resid 91   and name HD1 ))
   (  segid "    " and resid 95   and name HD2%)
      3.000     1.100     1.100 peak  3567 spectrum    1 weight   .10000E+01 volume   .27014E-02 ppm1      1.656 ppm2       .691 CV     1
 OR { 3567}
   (( segid "    " and resid 91   and name HD2 ))
   (  segid "    " and resid 95   and name HD2%)
 OR { 3567}
   (( segid "    " and resid 91   and name HD2 ))
   (  segid "    " and resid 48   and name HD1%)
 OR { 3567}
   (( segid "    " and resid 91   and name HD1 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3567}
   (( segid "    " and resid 91   and name HD2 ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI { 3568}
   (( segid "    " and resid 91   and name HG2 ))
   (  segid "    " and resid 48   and name HD1%)
      3.700     1.700     1.700 peak  3568 spectrum    1 weight   .10000E+01 volume   .82599E-03 ppm1      1.628 ppm2       .699 CV     1
 OR { 3568}
   (( segid "    " and resid 91   and name HG2 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3568}
   (( segid "    " and resid 91   and name HG2 ))
   (  segid "    " and resid 95   and name HD2%)
 ASSI { 3570}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.100     1.100 peak  3570 spectrum    1 weight   .10000E+01 volume   .18676E-02 ppm1      3.927 ppm2      8.098 CV     1
 OR { 3570}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 3573}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.600     1.600     1.600 peak  3573 spectrum    1 weight   .10000E+01 volume   .12286E-02 ppm1      4.038 ppm2       .881 CV     1
 OR { 3573}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 3573}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
 OR { 3573}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
 OR { 3573}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
 ASSI { 3574}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      4.000     2.000     2.000 peak  3574 spectrum    1 weight   .10000E+01 volume   .73249E-03 ppm1      4.034 ppm2      1.905 CV     1
 OR { 3574}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3574}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
 OR { 3574}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HG12))
 ASSI { 3587}
   (( segid "    " and resid 88   and name HD2 ))
   (  segid "    " and resid 48   and name HD1%)
      3.200     1.300     1.300 peak  3587 spectrum    1 weight   .10000E+01 volume   .98704E-03 ppm1      1.438 ppm2       .684 CV     1
 OR { 3587}
   (( segid "    " and resid 88   and name HD1 ))
   (  segid "    " and resid 48   and name HD1%)
 OR { 3587}
   (( segid "    " and resid 88   and name HD1 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3587}
   (( segid "    " and resid 88   and name HD2 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3587}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 96   and name HG11))
 OR { 3587}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 96   and name HG11))
 OR { 3587}
   (( segid "    " and resid 93   and name HG1 ))
   (  segid "    " and resid 70   and name HD2%)
 OR { 3587}
   (( segid "    " and resid 93   and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3592}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
      4.200     2.200     1.800 peak  3592 spectrum    1 weight   .10000E+01 volume   .62597E-03 ppm1      2.951 ppm2      1.855 CV     1
 OR { 3592}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 90   and name HB  ))
 ASSI { 3594}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.800     1.800     1.800 peak  3594 spectrum    1 weight   .10000E+01 volume   .79221E-03 ppm1      2.786 ppm2      1.890 CV     1
 OR { 3594}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 90   and name HB  ))
 OR { 3594}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 90   and name HG12))
 ASSI { 3599}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      2.700      .900      .900 peak  3599 spectrum    1 weight   .10000E+01 volume   .22157E-02 ppm1      3.927 ppm2      1.901 CV     1
 OR { 3599}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 90   and name HG12))
 ASSI { 3600}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 91   and name HA  ))
      3.800     1.800     1.800 peak  3600 spectrum    1 weight   .10000E+01 volume   .70911E-03 ppm1      1.904 ppm2      3.922 CV     1
 OR { 3600}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 3612}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.200     1.200 peak  3612 spectrum    1 weight   .10000E+01 volume   .12390E-02 ppm1      3.221 ppm2      7.283 CV     1
 OR { 3612}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 3634}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  3634 spectrum    1 weight   .10000E+01 volume   .16546E-02 ppm1      2.922 ppm2      3.582 CV     1
 OR { 3634}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 84   and name HA1 ))
 ASSI { 3645}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 81   and name HB1 ))
      3.100     1.200     1.200 peak  3645 spectrum    1 weight   .10000E+01 volume   .12468E-02 ppm1      3.215 ppm2      1.397 CV     1
 OR { 3645}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 89   and name HB% )
 OR { 3645}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI { 3646}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 89   and name HB% )
      3.100     1.200     1.200 peak  3646 spectrum    1 weight   .10000E+01 volume   .21481E-02 ppm1      2.914 ppm2      1.397 CV     1
 OR { 3646}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 81   and name HB1 ))
 OR { 3646}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI { 3652}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      3.800     1.800     1.800 peak  3652 spectrum    1 weight   .10000E+01 volume   .85976E-03 ppm1      3.561 ppm2      3.961 CV     1
 OR { 3652}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
 OR { 3652}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 3658}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      3.200     1.300     1.300 peak  3658 spectrum    1 weight   .10000E+01 volume   .13922E-02 ppm1      2.159 ppm2       .892 CV     1
 OR { 3658}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 3658}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 3658}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 3662}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     1.000     1.000 peak  3662 spectrum    1 weight   .10000E+01 volume   .20780E-02 ppm1      4.075 ppm2      8.056 CV     1
 OR { 3662}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3666}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak  3666 spectrum    1 weight   .10000E+01 volume   .11637E-02 ppm1      4.080 ppm2      8.296 CV     1
 OR { 3666}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3667}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak  3667 spectrum    1 weight   .10000E+01 volume   .11481E-02 ppm1      4.082 ppm2      7.222 CV     1
 OR { 3667}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 92   and name HE% )
 OR { 3667}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 3667}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 3674}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.300     1.300 peak  3674 spectrum    1 weight   .10000E+01 volume   .90651E-03 ppm1      1.354 ppm2      2.783 CV     1
 OR { 3674}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3689}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak  3689 spectrum    1 weight   .10000E+01 volume   .14779E-02 ppm1      3.432 ppm2       .880 CV     1
 OR { 3689}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 3689}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 81   and name HD2%)
 ASSI { 3690}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.300     1.300 peak  3690 spectrum    1 weight   .10000E+01 volume   .17870E-02 ppm1      2.821 ppm2       .881 CV     1
 OR { 3690}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 3690}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 81   and name HD2%)
 ASSI { 3717}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak  3717 spectrum    1 weight   .10000E+01 volume   .67016E-03 ppm1      1.726 ppm2      2.783 CV     1
 OR { 3717}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3733}
   (( segid "    " and resid 72   and name HG1 ))
   (  segid "    " and resid 69   and name HD1%)
      2.600      .800      .800 peak  3733 spectrum    1 weight   .10000E+01 volume   .17117E-02 ppm1      2.154 ppm2       .915 CV     1
 OR { 3733}
   (( segid "    " and resid 72   and name HG1 ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI { 3737}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      3.100     1.200     1.200 peak  3737 spectrum    1 weight   .10000E+01 volume   .11637E-02 ppm1      2.293 ppm2       .891 CV     1
 OR { 3737}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 3739}
   (( segid "    " and resid 72   and name HG2 ))
   (  segid "    " and resid 69   and name HD1%)
      2.800     2.800     3.200 peak  3739 spectrum    1 weight   .10000E+01 volume   .17533E-02 ppm1      2.328 ppm2       .902 CV     1
 OR { 3739}
   (( segid "    " and resid 72   and name HG2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 3754}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.600     1.600     1.600 peak  3754 spectrum    1 weight   .10000E+01 volume   .10598E-02 ppm1      3.439 ppm2      4.364 CV     1
 OR { 3754}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3767}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak  3767 spectrum    1 weight   .10000E+01 volume   .82081E-03 ppm1      3.549 ppm2       .790 CV     1
 OR { 3767}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HD2%)
 OR { 3767}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 3769}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
      3.200     1.300     1.300 peak  3769 spectrum    1 weight   .10000E+01 volume   .18702E-02 ppm1       .767 ppm2      3.575 CV     1
 OR { 3769}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 3782}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 43   and name HZ3 ))
      2.700      .900      .900 peak  3782 spectrum    1 weight   .10000E+01 volume   .40079E-02 ppm1       .767 ppm2      6.988 CV     1
 OR { 3782}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 92   and name HZ  ))
 ASSI { 3786}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
      3.200     1.300     1.300 peak  3786 spectrum    1 weight   .10000E+01 volume   .28105E-02 ppm1       .752 ppm2      3.580 CV     1
 OR { 3786}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 3797}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      3.900     1.900     1.900 peak  3797 spectrum    1 weight   .10000E+01 volume   .76883E-03 ppm1      1.872 ppm2      4.001 CV     1
 OR { 3797}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 3818}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 37   and name HG2%)
      3.600     1.600     1.600 peak  3818 spectrum    1 weight   .10000E+01 volume   .11637E-02 ppm1      3.068 ppm2      1.079 CV     1
 OR { 3818}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 3819}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 37   and name HG2%)
      3.500     1.500     1.500 peak  3819 spectrum    1 weight   .10000E+01 volume   .97925E-03 ppm1      2.472 ppm2      1.078 CV     1
 OR { 3819}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 3828}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
      2.600      .900      .900 peak  3828 spectrum    1 weight   .10000E+01 volume   .51251E-02 ppm1      3.970 ppm2      1.081 CV     1
 OR { 3828}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI { 3842}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  3842 spectrum    1 weight   .10000E+01 volume   .10727E-02 ppm1       .893 ppm2      7.510 CV     1
 OR { 3842}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 3844}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.400     1.400 peak  3844 spectrum    1 weight   .10000E+01 volume   .11897E-02 ppm1       .893 ppm2      4.296 CV     1
 OR { 3844}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 3845}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HB  ))
      4.300     2.300     1.700 peak  3845 spectrum    1 weight   .10000E+01 volume   .79482E-03 ppm1       .892 ppm2      2.593 CV     1
 OR { 3845}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3846}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.400     1.400 peak  3846 spectrum    1 weight   .10000E+01 volume   .77406E-03 ppm1       .894 ppm2      2.737 CV     1
 OR { 3846}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 3861}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  3861 spectrum    1 weight   .10000E+01 volume   .98186E-03 ppm1      2.894 ppm2      4.003 CV     1
 OR { 3861}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 3862}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak  3862 spectrum    1 weight   .10000E+01 volume   .64678E-03 ppm1      2.536 ppm2      3.999 CV     1
 OR { 3862}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 3876}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
      2.400      .700      .700 peak  3876 spectrum    1 weight   .10000E+01 volume   .55092E-02 ppm1      1.921 ppm2       .946 CV     1
 OR { 3876}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 37   and name HG1%)
 OR { 3876}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 3891}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.500     1.500 peak  3891 spectrum    1 weight   .10000E+01 volume   .13974E-02 ppm1      4.078 ppm2      7.599 CV     1
 OR { 3891}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 3895}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.500     3.500     2.500 peak  3895 spectrum    1 weight   .10000E+01 volume   .12494E-02 ppm1      2.316 ppm2       .821 CV     1
 OR { 3895}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 81   and name HD1%)
 ASSI { 3901}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak  3901 spectrum    1 weight   .10000E+01 volume   .61039E-03 ppm1      3.813 ppm2      8.586 CV     1
 OR { 3901}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3905}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      2.800     1.000     1.000 peak  3905 spectrum    1 weight   .10000E+01 volume   .35222E-02 ppm1      3.817 ppm2       .896 CV     1
 OR { 3905}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 3905}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 3906}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HG  ))
      3.400     1.500     1.500 peak  3906 spectrum    1 weight   .10000E+01 volume   .11818E-02 ppm1      3.818 ppm2      1.244 CV     1
 OR { 3906}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 3926}
   (( segid "    " and resid 56   and name HG  ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.300     1.300 peak  3926 spectrum    1 weight   .10000E+01 volume   .14520E-02 ppm1      1.205 ppm2       .871 CV     1
 OR { 3926}
   (( segid "    " and resid 56   and name HG  ))
   (( segid "    " and resid 45   and name HG11))
 OR { 3926}
   (( segid "    " and resid 56   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 3954}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.300     1.300     1.300 peak  3954 spectrum    1 weight   .10000E+01 volume   .17195E-02 ppm1      4.128 ppm2      2.308 CV     1
 OR { 3954}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
 OR { 3954}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 4028}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  4028 spectrum    1 weight   .10000E+01 volume   .77406E-03 ppm1       .811 ppm2      3.798 CV     1
 OR { 4028}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 4036}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 56   and name HD2%)
      3.100     1.200     1.200 peak  4036 spectrum    1 weight   .10000E+01 volume   .29482E-02 ppm1       .921 ppm2       .552 CV     1
 OR { 4036}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 50   and name HG1%)
 ASSI { 4058}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HG11))
      3.300     1.400     1.400 peak  4058 spectrum    1 weight   .10000E+01 volume   .12572E-02 ppm1      3.098 ppm2       .872 CV     1
 OR { 4058}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 4058}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 OR { 4058}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 4059}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 45   and name HG11))
      3.200     1.300     1.300 peak  4059 spectrum    1 weight   .10000E+01 volume   .14832E-02 ppm1      2.609 ppm2       .856 CV     1
 OR { 4059}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 4059}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 4070}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  4070 spectrum    1 weight   .10000E+01 volume   .48573E-03 ppm1      3.786 ppm2      7.595 CV     1
 OR { 4070}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 4072}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      2.300      .600      .600 peak  4072 spectrum    1 weight   .10000E+01 volume   .86627E-02 ppm1      3.792 ppm2      1.224 CV     1
 OR { 4072}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI { 4088}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      2.500      .800      .800 peak  4088 spectrum    1 weight   .10000E+01 volume   .89118E-02 ppm1      3.613 ppm2       .912 CV     1
 OR { 4088}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 4095}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 41   and name HB  ))
      4.300     2.300     1.700 peak  4095 spectrum    1 weight   .10000E+01 volume   .54027E-03 ppm1      2.715 ppm2      2.055 CV     1
 OR { 4095}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 37   and name HB  ))
 ASSI { 4108}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  4108 spectrum    1 weight   .10000E+01 volume   .23637E-02 ppm1      3.789 ppm2      3.600 CV     1
 OR { 4108}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 4108}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 4108}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 4115}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 43   and name HZ3 ))
      3.500     1.500     1.500 peak  4115 spectrum    1 weight   .10000E+01 volume   .81302E-03 ppm1      1.248 ppm2      6.980 CV     1
 OR { 4115}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 92   and name HZ  ))
 ASSI { 4116}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 35   and name HE3 ))
      3.900     1.900     1.900 peak  4116 spectrum    1 weight   .10000E+01 volume   .63377E-03 ppm1      1.247 ppm2      7.172 CV     1
 OR { 4116}
   (  segid "    " and resid 40   and name HG1%)
   (  segid "    " and resid 92   and name HE% )
 ASSI { 4117}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      3.800     1.800     1.800 peak  4117 spectrum    1 weight   .10000E+01 volume   .94029E-03 ppm1      1.245 ppm2      4.182 CV     1
 OR { 4117}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 66   and name HA  ))
 OR { 4117}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 4119}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak  4119 spectrum    1 weight   .10000E+01 volume   .10234E-02 ppm1      1.248 ppm2      3.602 CV     1
 OR { 4119}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 4121}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak  4121 spectrum    1 weight   .10000E+01 volume   .11195E-02 ppm1      1.249 ppm2      1.820 CV     1
 OR { 4121}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 70   and name HG  ))
 OR { 4121}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HG12))
 ASSI { 4122}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HB  ))
      3.800     1.800     1.800 peak  4122 spectrum    1 weight   .10000E+01 volume   .90913E-03 ppm1      1.249 ppm2      2.054 CV     1
 OR { 4122}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 60   and name HG  ))
 OR { 4122}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 4124}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.100     1.100 peak  4124 spectrum    1 weight   .10000E+01 volume   .23403E-02 ppm1      1.330 ppm2      4.210 CV     1
 OR { 4124}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 4128}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  4128 spectrum    1 weight   .10000E+01 volume   .19091E-02 ppm1      1.329 ppm2      3.585 CV     1
 OR { 4128}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 67   and name HA1 ))
 ASSI { 4132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  4132 spectrum    1 weight   .10000E+01 volume   .11325E-02 ppm1      4.173 ppm2      8.292 CV     1
 OR { 4132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 4143}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.500     1.500 peak  4143 spectrum    1 weight   .10000E+01 volume   .10208E-02 ppm1      4.333 ppm2      8.262 CV     1
 OR { 4143}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 4148}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
      4.100     2.100     1.900 peak  4148 spectrum    1 weight   .10000E+01 volume   .70911E-03 ppm1      2.628 ppm2      1.000 CV     1
 OR { 4148}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI { 4149}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 37   and name HG1%)
      4.100     2.100     1.900 peak  4149 spectrum    1 weight   .10000E+01 volume   .68835E-03 ppm1      2.438 ppm2      1.040 CV     1
 OR { 4149}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 4180}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak  4180 spectrum    1 weight   .10000E+01 volume   .73510E-03 ppm1      3.663 ppm2      4.396 CV     1
 OR { 4180}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 4193}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD21))
      3.300     1.400     1.400 peak  4193 spectrum    1 weight   .10000E+01 volume   .75848E-03 ppm1      2.776 ppm2      6.904 CV     1
 OR { 4193}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD21))
 OR { 4193}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HD21))
 OR { 4193}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD21))
 ASSI {  436}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.300      .700      .700 peak   436 spectrum    1 weight   .10000E+01 volume   .10203E-01 ppm1      8.080 ppm2      4.256 CV     1
 OR {  436}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI {  448}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 104  and name HD2%)
      3.600     1.600     1.600 peak   448 spectrum    1 weight   .10000E+01 volume   .14644E-02 ppm1      8.089 ppm2       .866 CV     1
 OR {  448}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 OR {  448}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
 OR {  448}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
 ASSI {  471}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.400      .700      .700 peak   471 spectrum    1 weight   .10000E+01 volume   .55664E-02 ppm1      7.869 ppm2      4.246 CV     1
 OR {  471}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI {  500}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.900     1.900     1.900 peak   500 spectrum    1 weight   .10000E+01 volume   .46277E-03 ppm1      7.874 ppm2      8.355 CV     1
 OR {  500}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  505}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   505 spectrum    1 weight   .10000E+01 volume   .24920E-02 ppm1      8.001 ppm2      4.117 CV     1
 OR {  505}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI {  543}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.700      .900      .900 peak   543 spectrum    1 weight   .10000E+01 volume   .28549E-02 ppm1      7.778 ppm2      4.118 CV     1
 OR {  543}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI {  571}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.700     1.700     1.700 peak   571 spectrum    1 weight   .10000E+01 volume   .63224E-03 ppm1      8.361 ppm2      7.793 CV     1
 OR {  571}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI {  634}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700      .900      .900 peak   634 spectrum    1 weight   .10000E+01 volume   .23943E-02 ppm1      8.711 ppm2      8.444 CV     1
 OR {  634}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI {  648}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.700     1.700     1.700 peak   648 spectrum    1 weight   .10000E+01 volume   .71045E-03 ppm1      8.712 ppm2       .861 CV     1
 OR {  648}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  648}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 OR {  648}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  655}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.400     1.400     1.400 peak   655 spectrum    1 weight   .10000E+01 volume   .10559E-02 ppm1      8.473 ppm2      4.068 CV     1
 OR {  655}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI {  656}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak   656 spectrum    1 weight   .10000E+01 volume   .17251E-02 ppm1      8.461 ppm2      3.922 CV     1
 OR {  656}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  669}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.400      .700      .700 peak   669 spectrum    1 weight   .10000E+01 volume   .40346E-02 ppm1      7.310 ppm2      8.434 CV     1
 OR {  669}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI {  683}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      3.700     1.700     1.700 peak   683 spectrum    1 weight   .10000E+01 volume   .13145E-02 ppm1      7.315 ppm2       .829 CV     1
 OR {  683}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  696}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 86   and name HG  ))
      3.900     1.900     1.900 peak   696 spectrum    1 weight   .10000E+01 volume   .53228E-03 ppm1      8.396 ppm2      1.657 CV     1
 OR {  696}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  696}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
 OR {  696}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HG1 ))
 OR {  696}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI {  705}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   705 spectrum    1 weight   .10000E+01 volume   .25768E-02 ppm1      8.094 ppm2      3.914 CV     1
 OR {  705}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI {  709}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     3.000     3.000 peak   709 spectrum    1 weight   .10000E+01 volume   .81908E-03 ppm1      8.095 ppm2      2.932 CV     1
 OR {  709}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 OR {  709}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HE2 ))
 ASSI {  716}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.300      .600      .600 peak   716 spectrum    1 weight   .10000E+01 volume   .66375E-02 ppm1      7.878 ppm2      8.078 CV     1
 OR {  716}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  732}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD2 ))
      4.000     2.000     2.000 peak   732 spectrum    1 weight   .10000E+01 volume   .95380E-03 ppm1      7.878 ppm2      1.413 CV     1
 OR {  732}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 89   and name HB% )
 OR {  732}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI {  748}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      3.700     1.700     1.700 peak   748 spectrum    1 weight   .10000E+01 volume   .12167E-02 ppm1      8.109 ppm2       .874 CV     1
 OR {  748}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 OR {  748}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  788}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      4.000     2.000     2.000 peak   788 spectrum    1 weight   .10000E+01 volume   .65832E-03 ppm1      8.538 ppm2      3.049 CV     1
 OR {  788}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  792}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      4.100     2.100     1.900 peak   792 spectrum    1 weight   .10000E+01 volume   .51275E-03 ppm1      8.545 ppm2      1.892 CV     1
 OR {  792}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  794}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight   .10000E+01 volume   .34827E-02 ppm1      8.133 ppm2      7.273 CV     1
 OR {  794}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  797}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.100      .500      .500 peak   797 spectrum    1 weight   .10000E+01 volume   .14179E-01 ppm1      8.133 ppm2      4.434 CV     1
 OR {  797}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  815}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
      3.300     1.400     1.400 peak   815 spectrum    1 weight   .10000E+01 volume   .47581E-03 ppm1      7.279 ppm2       .812 CV     1
 OR {  815}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 OR {  815}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  821}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.400      .700      .700 peak   821 spectrum    1 weight   .10000E+01 volume   .61355E-02 ppm1      8.303 ppm2      4.400 CV     1
 OR {  821}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  839}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.100     1.100 peak   839 spectrum    1 weight   .10000E+01 volume   .22530E-02 ppm1      8.917 ppm2      3.939 CV     1
 OR {  839}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  848}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak   848 spectrum    1 weight   .10000E+01 volume   .10016E-02 ppm1      8.921 ppm2       .865 CV     1
 OR {  848}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  848}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
 OR {  848}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  861}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.700     2.700     1.300 peak   861 spectrum    1 weight   .10000E+01 volume   .33676E-03 ppm1      8.067 ppm2      1.896 CV     1
 OR {  861}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 OR {  861}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI {  864}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 89   and name HB% )
      3.400     1.500     1.500 peak   864 spectrum    1 weight   .10000E+01 volume   .12471E-02 ppm1      8.069 ppm2      1.376 CV     1
 OR {  864}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  865}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak   865 spectrum    1 weight   .10000E+01 volume   .12754E-02 ppm1      8.072 ppm2       .856 CV     1
 OR {  865}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  865}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 81   and name HD2%)
 OR {  865}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 81   and name HD1%)
 ASSI {  886}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   886 spectrum    1 weight   .10000E+01 volume   .14883E-02 ppm1      8.806 ppm2      3.942 CV     1
 OR {  886}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  916}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.600     1.600 peak   916 spectrum    1 weight   .10000E+01 volume   .65832E-03 ppm1      7.195 ppm2      4.023 CV     1
 OR {  916}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  949}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      3.400     1.400     1.400 peak   949 spectrum    1 weight   .10000E+01 volume   .64092E-03 ppm1      7.484 ppm2       .882 CV     1
 OR {  949}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI {  954}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700      .900      .900 peak   954 spectrum    1 weight   .10000E+01 volume   .26572E-02 ppm1      7.551 ppm2      4.349 CV     1
 OR {  954}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.800     1.000     1.000 peak   958 spectrum    1 weight   .10000E+01 volume   .24008E-02 ppm1      7.550 ppm2      1.681 CV     1
 OR {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  968}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700      .900      .900 peak   968 spectrum    1 weight   .10000E+01 volume   .22074E-02 ppm1      8.296 ppm2      7.519 CV     1
 OR {  968}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1015}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     2.800     3.200 peak  1015 spectrum    1 weight   .10000E+01 volume   .12949E-02 ppm1      7.942 ppm2      4.063 CV     1
 OR { 1015}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 1015}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1023}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.500     1.500     1.500 peak  1023 spectrum    1 weight   .10000E+01 volume   .86908E-03 ppm1      7.942 ppm2      1.064 CV     1
 OR { 1023}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1028}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1028 spectrum    1 weight   .10000E+01 volume   .12666E-02 ppm1      7.571 ppm2      4.063 CV     1
 OR { 1028}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700      .900      .900 peak  1040 spectrum    1 weight   .10000E+01 volume   .30569E-02 ppm1      8.618 ppm2      4.061 CV     1
 OR { 1040}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1053}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak  1053 spectrum    1 weight   .10000E+01 volume   .42149E-03 ppm1      8.624 ppm2      1.897 CV     1
 OR { 1053}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1053}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 1053}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1072}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
      3.600     1.600     1.600 peak  1072 spectrum    1 weight   .10000E+01 volume   .19815E-02 ppm1      7.584 ppm2      2.324 CV     1
 OR { 1072}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
 OR { 1072}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1111}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      3.300     1.400     1.400 peak  1111 spectrum    1 weight   .10000E+01 volume   .10320E-02 ppm1      7.780 ppm2      2.266 CV     1
 OR { 1111}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1122}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      3.500     1.500     1.500 peak  1122 spectrum    1 weight   .10000E+01 volume   .97989E-03 ppm1      7.014 ppm2      2.228 CV     1
 OR { 1122}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1122}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1145}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.100      .500      .500 peak  1145 spectrum    1 weight   .10000E+01 volume   .58095E-02 ppm1      8.445 ppm2      2.261 CV     1
 OR { 1145}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1180}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.700     1.700 peak  1180 spectrum    1 weight   .10000E+01 volume   .76479E-03 ppm1      8.063 ppm2      4.208 CV     1
 OR { 1180}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1190}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
      3.500     1.600     1.600 peak  1190 spectrum    1 weight   .10000E+01 volume   .11928E-02 ppm1      6.533 ppm2      1.092 CV     1
 OR { 1190}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI { 1222}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.500     1.600     1.600 peak  1222 spectrum    1 weight   .10000E+01 volume   .69526E-03 ppm1      9.027 ppm2      3.794 CV     1
 OR { 1222}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1235}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      2.400      .700      .700 peak  1235 spectrum    1 weight   .10000E+01 volume   .49712E-02 ppm1      8.131 ppm2      4.200 CV     1
 OR { 1235}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1237}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  1237 spectrum    1 weight   .10000E+01 volume   .19771E-02 ppm1      8.131 ppm2      3.795 CV     1
 OR { 1237}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1246}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      2.200      .600      .600 peak  1246 spectrum    1 weight   .10000E+01 volume   .92796E-02 ppm1      8.319 ppm2      4.209 CV     1
 OR { 1246}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1257}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.400     1.400 peak  1257 spectrum    1 weight   .10000E+01 volume   .28527E-02 ppm1      8.319 ppm2      1.190 CV     1
 OR { 1257}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 1268}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak  1268 spectrum    1 weight   .10000E+01 volume   .67568E-03 ppm1      8.530 ppm2      4.172 CV     1
 OR { 1268}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 OR { 1268}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
 ASSI { 1278}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
      2.500      .800      .800 peak  1278 spectrum    1 weight   .10000E+01 volume   .29461E-02 ppm1      8.529 ppm2      1.231 CV     1
 OR { 1278}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI { 1281}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     1.700     1.700 peak  1281 spectrum    1 weight   .10000E+01 volume   .10255E-02 ppm1      8.531 ppm2       .818 CV     1
 OR { 1281}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 OR { 1281}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HG11))
 ASSI { 1289}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak  1289 spectrum    1 weight   .10000E+01 volume   .23747E-02 ppm1      8.252 ppm2      4.162 CV     1
 OR { 1289}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1292}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.600     1.700     1.700 peak  1292 spectrum    1 weight   .10000E+01 volume   .84083E-03 ppm1      8.254 ppm2      3.378 CV     1
 OR { 1292}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 OR { 1292}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1296}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.400      .700      .700 peak  1296 spectrum    1 weight   .10000E+01 volume   .52316E-02 ppm1      8.254 ppm2      2.729 CV     1
 OR { 1296}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1301}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700      .900      .900 peak  1301 spectrum    1 weight   .10000E+01 volume   .26311E-02 ppm1      8.271 ppm2      1.856 CV     1
 OR { 1301}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR { 1301}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 1302}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.400      .700      .700 peak  1302 spectrum    1 weight   .10000E+01 volume   .54707E-02 ppm1      8.255 ppm2      1.342 CV     1
 OR { 1302}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 1315}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak  1315 spectrum    1 weight   .10000E+01 volume   .28614E-02 ppm1      7.571 ppm2      4.168 CV     1
 OR { 1315}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1327}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1327 spectrum    1 weight   .10000E+01 volume   .20575E-02 ppm1      7.764 ppm2      4.165 CV     1
 OR { 1327}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1344}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.600      .800      .800 peak  1344 spectrum    1 weight   .10000E+01 volume   .38434E-02 ppm1      9.056 ppm2      4.166 CV     1
 OR { 1344}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1351}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak  1351 spectrum    1 weight   .10000E+01 volume   .71913E-03 ppm1      7.745 ppm2      8.257 CV     1
 OR { 1351}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1375}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600      .800      .800 peak  1375 spectrum    1 weight   .10000E+01 volume   .30417E-02 ppm1      7.432 ppm2      8.596 CV     1
 OR { 1375}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1379}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700      .900      .900 peak  1379 spectrum    1 weight   .10000E+01 volume   .29874E-02 ppm1      7.427 ppm2      4.067 CV     1
 OR { 1379}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1429}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500      .800      .800 peak  1429 spectrum    1 weight   .10000E+01 volume   .47907E-02 ppm1      8.414 ppm2      4.675 CV     1
 OR { 1429}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1431}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak  1431 spectrum    1 weight   .10000E+01 volume   .15817E-02 ppm1      8.415 ppm2      2.815 CV     1
 OR { 1431}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1431}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1464}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     3.000     3.000 peak  1464 spectrum    1 weight   .10000E+01 volume   .72568E-03 ppm1      9.800 ppm2      4.308 CV     1
 OR { 1464}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1465}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 29   and name HB1 ))
      2.900     1.000     1.000 peak  1465 spectrum    1 weight   .10000E+01 volume   .10212E-02 ppm1      9.804 ppm2      2.819 CV     1
 OR { 1465}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 1465}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1467}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 39   and name HB1 ))
      3.000     1.100     1.100 peak  1467 spectrum    1 weight   .10000E+01 volume   .12232E-02 ppm1      9.805 ppm2      1.928 CV     1
 OR { 1467}
   (( segid "    " and resid 35   and name HE1 ))
   (  segid "    " and resid 99   and name HE% )
 ASSI { 2605}
   (( segid "    " and resid 63   and name HD22))
   (  segid "    " and resid 65   and name HD1%)
      2.700     2.700     3.300 peak  2605 spectrum    1 weight   .10000E+01 volume   .13297E-02 ppm1      7.651 ppm2       .775 CV     1
 OR { 2605}
   (( segid "    " and resid 63   and name HD22))
   (  segid "    " and resid 81   and name HD1%)
 ASSI {  488}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   488 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1      1.854 ppm2      8.248 CV     1
 ASSI {  490}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HE1 ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight   .10000E+01 volume   .20260E-02 ppm1       .962 ppm2     10.139 CV     1
 ASSI {  542}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HD22))
      4.100     2.100     1.900 peak   542 spectrum    1 weight   .10000E+01 volume   .75586E-03 ppm1      2.830 ppm2      7.488 CV     1
 ASSI {  635}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      2.700      .900      .900 peak   635 spectrum    1 weight   .10000E+01 volume   .30988E-02 ppm1      3.688 ppm2      2.016 CV     1
 ASSI {  650}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.500      .800      .800 peak   650 spectrum    1 weight   .10000E+01 volume   .41378E-02 ppm1      3.792 ppm2      2.071 CV     1
 OR {  650}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
 ASSI {  661}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HE2 ))
      3.800     1.800     1.800 peak   661 spectrum    1 weight   .10000E+01 volume   .12156E-02 ppm1      3.867 ppm2      2.924 CV     1
 ASSI {  688}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.600     1.600 peak   688 spectrum    1 weight   .10000E+01 volume   .14961E-02 ppm1       .858 ppm2      8.581 CV     1
 ASSI {  747}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HB1 ))
      3.000     1.100     1.100 peak   747 spectrum    1 weight   .10000E+01 volume   .13949E-02 ppm1      6.568 ppm2      1.636 CV     1
 ASSI {  807}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak   807 spectrum    1 weight   .10000E+01 volume   .22468E-02 ppm1       .858 ppm2      4.015 CV     1
 ASSI {  833}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.800     1.000     1.000 peak   833 spectrum    1 weight   .10000E+01 volume   .21845E-02 ppm1      3.563 ppm2      2.194 CV     1
 ASSI {  903}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak   903 spectrum    1 weight   .10000E+01 volume   .90913E-03 ppm1       .807 ppm2      9.281 CV     1
 ASSI {  905}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   905 spectrum    1 weight   .10000E+01 volume   .15481E-02 ppm1      1.726 ppm2      7.190 CV     1
 ASSI {  994}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HA2 ))
      2.300      .600      .600 peak   994 spectrum    1 weight   .10000E+01 volume   .29429E-02 ppm1      3.571 ppm2      4.601 CV     1
 ASSI { 1083}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak  1083 spectrum    1 weight   .10000E+01 volume   .67534E-03 ppm1      3.820 ppm2      7.120 CV     1
 ASSI { 1119}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 99   and name HG2 ))
      2.900     1.100     1.100 peak  1119 spectrum    1 weight   .10000E+01 volume   .21871E-02 ppm1      1.925 ppm2      2.252 CV     1
 OR { 1119}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 99   and name HG1 ))
 ASSI { 1153}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak  1153 spectrum    1 weight   .10000E+01 volume   .89872E-03 ppm1      2.842 ppm2      8.408 CV     1
 ASSI { 1159}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600      .800      .800 peak  1159 spectrum    1 weight   .10000E+01 volume   .39975E-02 ppm1      4.040 ppm2      7.237 CV     1
 ASSI { 1175}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 106  and name HA  ))
      3.300     1.400     1.400 peak  1175 spectrum    1 weight   .10000E+01 volume   .16052E-02 ppm1      7.180 ppm2      4.678 CV     1
 ASSI { 1177}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.500     1.500     1.500 peak  1177 spectrum    1 weight   .10000E+01 volume   .70132E-03 ppm1      3.104 ppm2      7.176 CV     1
 ASSI { 1274}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  1274 spectrum    1 weight   .10000E+01 volume   .10000E-02 ppm1      2.206 ppm2      4.058 CV     1
 ASSI { 1397}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight   .10000E+01 volume   .19195E-02 ppm1      4.064 ppm2      7.452 CV     1
 ASSI { 1447}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak  1447 spectrum    1 weight   .10000E+01 volume   .32832E-02 ppm1      4.362 ppm2      2.669 CV     1
 ASSI { 1729}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      2.700      .900      .900 peak  1729 spectrum    1 weight   .10000E+01 volume   .29637E-02 ppm1      1.750 ppm2      4.324 CV     1
 ASSI { 1730}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      2.700      .900      .900 peak  1730 spectrum    1 weight   .10000E+01 volume   .24312E-02 ppm1      1.599 ppm2      4.321 CV     1
 ASSI { 1734}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HA  ))
      2.600      .900      .900 peak  1734 spectrum    1 weight   .10000E+01 volume   .60290E-02 ppm1      3.256 ppm2      4.671 CV     1
 ASSI { 1736}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  1736 spectrum    1 weight   .10000E+01 volume   .20624E-02 ppm1      3.256 ppm2      8.041 CV     1
 ASSI { 1737}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
      3.400     1.400     1.400 peak  1737 spectrum    1 weight   .10000E+01 volume   .18442E-02 ppm1      3.226 ppm2      8.043 CV     1
 ASSI { 1740}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HE3 ))
      3.000     1.200     1.200 peak  1740 spectrum    1 weight   .10000E+01 volume   .14494E-02 ppm1      3.225 ppm2      7.638 CV     1
 ASSI { 1741}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HE3 ))
      3.100     1.200     1.200 peak  1741 spectrum    1 weight   .10000E+01 volume   .14494E-02 ppm1      3.253 ppm2      7.633 CV     1
 ASSI { 1742}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 106  and name HB2 ))
      2.600      .900      .900 peak  1742 spectrum    1 weight   .10000E+01 volume   .42832E-02 ppm1      7.181 ppm2      3.261 CV     1
 OR { 1742}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI { 1743}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HD1 ))
      3.200     1.300     1.300 peak  1743 spectrum    1 weight   .10000E+01 volume   .14624E-02 ppm1      3.222 ppm2      7.191 CV     1
 ASSI { 1744}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HD1 ))
      3.100     1.200     1.200 peak  1744 spectrum    1 weight   .10000E+01 volume   .14208E-02 ppm1      3.252 ppm2      7.202 CV     1
 ASSI { 1746}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HG1 ))
      2.500      .800      .800 peak  1746 spectrum    1 weight   .10000E+01 volume   .45066E-02 ppm1      4.237 ppm2      1.396 CV     1
 OR { 1746}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HG2 ))
 ASSI { 1748}
   (( segid "    " and resid 105  and name HG2 ))
   (( segid "    " and resid 105  and name HA  ))
      3.100     1.200     1.200 peak  1748 spectrum    1 weight   .10000E+01 volume   .16753E-02 ppm1      2.207 ppm2      4.274 CV     1
 ASSI { 1752}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600      .900      .900 peak  1752 spectrum    1 weight   .10000E+01 volume   .44780E-02 ppm1      2.694 ppm2      4.605 CV     1
 ASSI { 1753}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.700      .900      .900 peak  1753 spectrum    1 weight   .10000E+01 volume   .34182E-02 ppm1      2.774 ppm2      4.598 CV     1
 ASSI { 1767}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.500      .800      .800 peak  1767 spectrum    1 weight   .10000E+01 volume   .28468E-02 ppm1      2.720 ppm2      8.279 CV     1
 ASSI { 1768}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  1768 spectrum    1 weight   .10000E+01 volume   .89611E-03 ppm1      1.517 ppm2      8.065 CV     1
 ASSI { 1770}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HA  ))
      2.300      .600      .600 peak  1770 spectrum    1 weight   .10000E+01 volume   .82160E-02 ppm1      1.963 ppm2      4.135 CV     1
 OR { 1770}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1796}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.300     1.400     1.400 peak  1796 spectrum    1 weight   .10000E+01 volume   .90913E-03 ppm1      2.085 ppm2      4.078 CV     1
 ASSI { 1798}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak  1798 spectrum    1 weight   .10000E+01 volume   .18987E-02 ppm1      1.722 ppm2      4.086 CV     1
 ASSI { 1810}
   (( segid "    " and resid 94   and name HG11))
   (( segid "    " and resid 94   and name HB  ))
      2.700      .900      .900 peak  1810 spectrum    1 weight   .10000E+01 volume   .20546E-02 ppm1      1.147 ppm2      2.016 CV     1
 ASSI { 1816}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HG2%)
      2.100      .600      .600 peak  1816 spectrum    1 weight   .10000E+01 volume   .92002E-02 ppm1      2.005 ppm2       .926 CV     1
 ASSI { 1830}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HE1 ))
      4.100     2.100     1.900 peak  1830 spectrum    1 weight   .10000E+01 volume   .45716E-03 ppm1      2.047 ppm2      2.932 CV     1
 OR { 1830}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HE1 ))
 ASSI { 1843}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.200     1.200 peak  1843 spectrum    1 weight   .10000E+01 volume   .21169E-02 ppm1      3.142 ppm2      4.453 CV     1
 ASSI { 1857}
   (( segid "    " and resid 91   and name HE2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.500     1.600     1.600 peak  1857 spectrum    1 weight   .10000E+01 volume   .12286E-02 ppm1      2.915 ppm2      3.902 CV     1
 OR { 1857}
   (( segid "    " and resid 91   and name HE1 ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI { 1862}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HE2 ))
      2.200      .600      .600 peak  1862 spectrum    1 weight   .10000E+01 volume   .90000E-02 ppm1      1.656 ppm2      2.939 CV     1
 OR { 1862}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HE1 ))
 OR { 1862}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HE1 ))
 OR { 1862}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HE2 ))
 ASSI { 1863}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak  1863 spectrum    1 weight   .10000E+01 volume   .18312E-02 ppm1      1.904 ppm2      3.664 CV     1
 ASSI { 1876}
   (( segid "    " and resid 90   and name HG11))
   (( segid "    " and resid 90   and name HB  ))
      2.100      .600      .600 peak  1876 spectrum    1 weight   .10000E+01 volume   .87821E-02 ppm1      1.089 ppm2      1.873 CV     1
 ASSI { 1902}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.600      .800      .800 peak  1902 spectrum    1 weight   .10000E+01 volume   .27663E-02 ppm1      1.730 ppm2      3.952 CV     1
 ASSI { 1904}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1904 spectrum    1 weight   .10000E+01 volume   .27195E-02 ppm1      1.604 ppm2      3.948 CV     1
 ASSI { 1918}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.100     1.100 peak  1918 spectrum    1 weight   .10000E+01 volume   .18572E-02 ppm1      3.077 ppm2      4.645 CV     1
 ASSI { 1920}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.500      .800      .800 peak  1920 spectrum    1 weight   .10000E+01 volume   .44780E-02 ppm1      2.676 ppm2      4.631 CV     1
 ASSI { 1921}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 84   and name HA1 ))
      2.000      .500      .500 peak  1921 spectrum    1 weight   .10000E+01 volume   .87559E-02 ppm1      4.272 ppm2      3.560 CV     1
 ASSI { 1928}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.700      .900      .900 peak  1928 spectrum    1 weight   .10000E+01 volume   .37559E-02 ppm1      2.465 ppm2      4.441 CV     1
 ASSI { 1930}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.700      .900      .900 peak  1930 spectrum    1 weight   .10000E+01 volume   .38416E-02 ppm1      3.039 ppm2      4.446 CV     1
 ASSI { 1934}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak  1934 spectrum    1 weight   .10000E+01 volume   .18962E-02 ppm1      3.221 ppm2      4.459 CV     1
 ASSI { 1964}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.400      .700      .700 peak  1964 spectrum    1 weight   .10000E+01 volume   .66133E-02 ppm1      2.160 ppm2      4.042 CV     1
 OR { 1964}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1966}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak  1966 spectrum    1 weight   .10000E+01 volume   .16728E-02 ppm1      2.425 ppm2      3.965 CV     1
 ASSI { 1973}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.200     1.200 peak  1973 spectrum    1 weight   .10000E+01 volume   .13767E-02 ppm1      1.876 ppm2      3.955 CV     1
 ASSI { 1976}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak  1976 spectrum    1 weight   .10000E+01 volume   .16624E-02 ppm1      1.533 ppm2      3.959 CV     1
 ASSI { 1988}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  1988 spectrum    1 weight   .10000E+01 volume   .17507E-02 ppm1      1.725 ppm2      4.481 CV     1
 ASSI { 1990}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1990 spectrum    1 weight   .10000E+01 volume   .17585E-02 ppm1      1.359 ppm2      4.489 CV     1
 ASSI { 2001}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  2001 spectrum    1 weight   .10000E+01 volume   .29767E-02 ppm1      2.321 ppm2      4.316 CV     1
 ASSI { 2003}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  2003 spectrum    1 weight   .10000E+01 volume   .27949E-02 ppm1      2.157 ppm2      4.315 CV     1
 ASSI { 2012}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500      .800      .800 peak  2012 spectrum    1 weight   .10000E+01 volume   .33534E-02 ppm1      1.769 ppm2      4.087 CV     1
 ASSI { 2017}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak  2017 spectrum    1 weight   .10000E+01 volume   .69615E-03 ppm1      3.550 ppm2      4.046 CV     1
 ASSI { 2019}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.500     1.500 peak  2019 spectrum    1 weight   .10000E+01 volume   .94808E-03 ppm1      3.437 ppm2      4.044 CV     1
 ASSI { 2023}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak  2023 spectrum    1 weight   .10000E+01 volume   .84157E-03 ppm1      1.494 ppm2      4.082 CV     1
 ASSI { 2026}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak  2026 spectrum    1 weight   .10000E+01 volume   .18468E-02 ppm1      1.985 ppm2      4.082 CV     1
 ASSI { 2052}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak  2052 spectrum    1 weight   .10000E+01 volume   .20910E-02 ppm1      2.557 ppm2      8.283 CV     1
 ASSI { 2093}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.700      .900      .900 peak  2093 spectrum    1 weight   .10000E+01 volume   .25637E-02 ppm1      2.345 ppm2      4.056 CV     1
 ASSI { 2094}
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  2094 spectrum    1 weight   .10000E+01 volume   .20702E-02 ppm1      2.301 ppm2      4.059 CV     1
 ASSI { 2102}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.700      .900      .900 peak  2102 spectrum    1 weight   .10000E+01 volume   .18338E-02 ppm1      1.714 ppm2      4.346 CV     1
 ASSI { 2106}
   (( segid "    " and resid 56   and name HG  ))
   (  segid "    " and resid 56   and name HD1%)
      2.900     1.000     1.000 peak  2106 spectrum    1 weight   .10000E+01 volume   .17221E-02 ppm1      1.208 ppm2       .266 CV     1
 ASSI { 2125}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD2%)
      3.000     1.200     1.200 peak  2125 spectrum    1 weight   .10000E+01 volume   .23897E-02 ppm1      1.712 ppm2       .582 CV     1
 ASSI { 2127}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD1%)
      2.600      .800      .800 peak  2127 spectrum    1 weight   .10000E+01 volume   .29429E-02 ppm1      1.715 ppm2       .264 CV     1
 ASSI { 2131}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD1%)
      3.400     1.400     1.400 peak  2131 spectrum    1 weight   .10000E+01 volume   .15065E-02 ppm1      1.333 ppm2       .267 CV     1
 ASSI { 2134}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.800     1.800     1.800 peak  2134 spectrum    1 weight   .10000E+01 volume   .72208E-03 ppm1      3.887 ppm2      4.256 CV     1
 ASSI { 2135}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  2135 spectrum    1 weight   .10000E+01 volume   .73767E-03 ppm1      3.659 ppm2      4.265 CV     1
 ASSI { 2140}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HD2 ))
      1.800      .400      .400 peak  2140 spectrum    1 weight   .10000E+01 volume   .98911E-02 ppm1      3.657 ppm2      3.910 CV     1
 ASSI { 2146}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600      .800      .800 peak  2146 spectrum    1 weight   .10000E+01 volume   .64027E-02 ppm1      2.365 ppm2      4.257 CV     1
 ASSI { 2149}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.400      .700      .700 peak  2149 spectrum    1 weight   .10000E+01 volume   .38235E-02 ppm1      1.983 ppm2      4.251 CV     1
 ASSI { 2151}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak  2151 spectrum    1 weight   .10000E+01 volume   .17533E-02 ppm1      2.029 ppm2      4.259 CV     1
 ASSI { 2152}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  2152 spectrum    1 weight   .10000E+01 volume   .22157E-02 ppm1      2.120 ppm2      4.254 CV     1
 ASSI { 2153}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.000     1.100     1.100 peak  2153 spectrum    1 weight   .10000E+01 volume   .27949E-02 ppm1      2.117 ppm2      3.678 CV     1
 ASSI { 2154}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.500      .800      .800 peak  2154 spectrum    1 weight   .10000E+01 volume   .28131E-02 ppm1      2.117 ppm2      3.911 CV     1
 ASSI { 2155}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.600      .800      .800 peak  2155 spectrum    1 weight   .10000E+01 volume   .21715E-02 ppm1      2.029 ppm2      3.678 CV     1
 ASSI { 2157}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.600     1.600     1.600 peak  2157 spectrum    1 weight   .10000E+01 volume   .12000E-02 ppm1      3.893 ppm2      2.388 CV     1
 ASSI { 2170}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.900     1.900     1.900 peak  2170 spectrum    1 weight   .10000E+01 volume   .11013E-02 ppm1      2.365 ppm2      3.678 CV     1
 ASSI { 2171}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.500     1.500     1.500 peak  2171 spectrum    1 weight   .10000E+01 volume   .21741E-02 ppm1      1.980 ppm2      3.912 CV     1
 ASSI { 2173}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.300     1.300     1.300 peak  2173 spectrum    1 weight   .10000E+01 volume   .15039E-02 ppm1      1.992 ppm2      3.684 CV     1
 ASSI { 2178}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak  2178 spectrum    1 weight   .10000E+01 volume   .18702E-02 ppm1      2.724 ppm2      4.659 CV     1
 ASSI { 2188}
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  2188 spectrum    1 weight   .10000E+01 volume   .32105E-02 ppm1      2.316 ppm2      4.054 CV     1
 ASSI { 2189}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.300     1.300 peak  2189 spectrum    1 weight   .10000E+01 volume   .84157E-03 ppm1      2.243 ppm2      4.007 CV     1
 ASSI { 2198}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  2198 spectrum    1 weight   .10000E+01 volume   .31507E-02 ppm1      2.358 ppm2      4.494 CV     1
 ASSI { 2199}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak  2199 spectrum    1 weight   .10000E+01 volume   .29585E-02 ppm1      2.292 ppm2      4.492 CV     1
 ASSI { 2237}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  2237 spectrum    1 weight   .10000E+01 volume   .14026E-02 ppm1      1.812 ppm2      3.660 CV     1
 ASSI { 2242}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  2242 spectrum    1 weight   .10000E+01 volume   .17819E-02 ppm1       .812 ppm2      3.660 CV     1
 ASSI { 2295}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 41   and name HG11))
      2.700      .900      .900 peak  2295 spectrum    1 weight   .10000E+01 volume   .20806E-02 ppm1      2.052 ppm2      1.240 CV     1
 ASSI { 2312}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      2.200      .600      .600 peak  2312 spectrum    1 weight   .10000E+01 volume   .35481E-02 ppm1      2.961 ppm2      1.875 CV     1
 ASSI { 2323}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700      .900      .900 peak  2323 spectrum    1 weight   .10000E+01 volume   .34962E-02 ppm1      2.032 ppm2      4.145 CV     1
 ASSI { 2328}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      2.100      .600      .600 peak  2328 spectrum    1 weight   .10000E+01 volume   .97121E-02 ppm1      2.030 ppm2      1.057 CV     1
 ASSI { 2346}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.700      .900      .900 peak  2346 spectrum    1 weight   .10000E+01 volume   .33819E-02 ppm1      1.951 ppm2      4.422 CV     1
 ASSI { 2357}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500      .800      .800 peak  2357 spectrum    1 weight   .10000E+01 volume   .44858E-02 ppm1      4.365 ppm2      2.484 CV     1
 ASSI { 2377}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak  2377 spectrum    1 weight   .10000E+01 volume   .21091E-02 ppm1      2.025 ppm2      4.435 CV     1
 ASSI { 2380}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  2380 spectrum    1 weight   .10000E+01 volume   .20962E-02 ppm1      1.919 ppm2      4.433 CV     1
 ASSI { 2384}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  2384 spectrum    1 weight   .10000E+01 volume   .80000E-03 ppm1      2.465 ppm2      4.423 CV     1
 ASSI { 2385}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.600     1.600 peak  2385 spectrum    1 weight   .10000E+01 volume   .66754E-03 ppm1      2.409 ppm2      4.435 CV     1
 ASSI { 2396}
   (( segid "    " and resid 106  and name HE3 ))
   (( segid "    " and resid 106  and name HB1 ))
      2.800     1.000     1.000 peak  2396 spectrum    1 weight   .10000E+01 volume   .26962E-02 ppm1      7.619 ppm2      3.260 CV     1
 OR { 2396}
   (( segid "    " and resid 106  and name HE3 ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 2399}
   (( segid "    " and resid 106  and name HZ2 ))
   (( segid "    " and resid 106  and name HH2 ))
      2.300      .700      .700 peak  2399 spectrum    1 weight   .10000E+01 volume   .82939E-02 ppm1      7.459 ppm2      7.184 CV     1
 ASSI { 2404}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 92   and name HD% )
      2.900     1.000     1.000 peak  2404 spectrum    1 weight   .10000E+01 volume   .13689E-02 ppm1      3.142 ppm2      7.145 CV     1
 ASSI { 2405}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 92   and name HD% )
      3.100     1.200     1.200 peak  2405 spectrum    1 weight   .10000E+01 volume   .11766E-02 ppm1      3.255 ppm2      7.146 CV     1
 ASSI { 2408}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 92   and name HZ  ))
      2.400      .700      .700 peak  2408 spectrum    1 weight   .10000E+01 volume   .58519E-02 ppm1      7.214 ppm2      6.980 CV     1
 ASSI { 2410}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HA  ))
      2.700      .900      .900 peak  2410 spectrum    1 weight   .10000E+01 volume   .24209E-02 ppm1      7.125 ppm2      4.456 CV     1
 ASSI { 2411}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 92   and name HA  ))
      4.100     2.100     1.900 peak  2411 spectrum    1 weight   .10000E+01 volume   .91948E-03 ppm1      7.214 ppm2      4.453 CV     1
 ASSI { 2412}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 92   and name HB2 ))
      4.300     2.300     1.700 peak  2412 spectrum    1 weight   .10000E+01 volume   .61300E-03 ppm1      7.213 ppm2      3.260 CV     1
 ASSI { 2413}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 92   and name HB1 ))
      4.300     2.400     1.700 peak  2413 spectrum    1 weight   .10000E+01 volume   .58963E-03 ppm1      7.211 ppm2      3.148 CV     1
 ASSI { 2418}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 96   and name HG2%)
      4.000     2.000     2.000 peak  2418 spectrum    1 weight   .10000E+01 volume   .89093E-03 ppm1      6.969 ppm2       .593 CV     1
 ASSI { 2419}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 96   and name HD1%)
      3.400     1.400     1.400 peak  2419 spectrum    1 weight   .10000E+01 volume   .10208E-02 ppm1      6.972 ppm2       .261 CV     1
 ASSI { 2433}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HE3 ))
      4.100     2.100     1.900 peak  2433 spectrum    1 weight   .10000E+01 volume   .96628E-03 ppm1      3.542 ppm2      7.942 CV     1
 ASSI { 2434}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HD1 ))
      3.400     1.400     1.400 peak  2434 spectrum    1 weight   .10000E+01 volume   .68835E-03 ppm1      3.546 ppm2      7.296 CV     1
 ASSI { 2438}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HE1 ))
      2.600      .800      .800 peak  2438 spectrum    1 weight   .10000E+01 volume   .48287E-02 ppm1      7.283 ppm2     10.139 CV     1
 ASSI { 2441}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      3.900     1.900     1.900 peak  2441 spectrum    1 weight   .10000E+01 volume   .88314E-03 ppm1      7.283 ppm2      2.855 CV     1
 ASSI { 2443}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 35   and name HH2 ))
      3.300     1.400     1.400 peak  2443 spectrum    1 weight   .10000E+01 volume   .10987E-02 ppm1      7.285 ppm2      6.372 CV     1
 ASSI { 2445}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 43   and name HE1 ))
      2.900     1.100     1.100 peak  2445 spectrum    1 weight   .10000E+01 volume   .20780E-02 ppm1      7.286 ppm2     10.135 CV     1
 ASSI { 2446}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 43   and name HH2 ))
      2.500      .800      .800 peak  2446 spectrum    1 weight   .10000E+01 volume   .47170E-02 ppm1      7.286 ppm2      6.849 CV     1
 ASSI { 2449}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HZ3 ))
      2.800     1.000     1.000 peak  2449 spectrum    1 weight   .10000E+01 volume   .22676E-02 ppm1      7.924 ppm2      6.962 CV     1
 ASSI { 2455}
   (( segid "    " and resid 43   and name HZ2 ))
   (  segid "    " and resid 47   and name HG2%)
      3.100     1.200     1.200 peak  2455 spectrum    1 weight   .10000E+01 volume   .17273E-02 ppm1      7.288 ppm2       .968 CV     1
 ASSI { 2465}
   (( segid "    " and resid 35   and name HH2 ))
   (( segid "    " and resid 35   and name HZ3 ))
      3.100     1.200     1.200 peak  2465 spectrum    1 weight   .10000E+01 volume   .12598E-02 ppm1      6.362 ppm2      6.032 CV     1
 ASSI { 2478}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.000     1.000 peak  2478 spectrum    1 weight   .10000E+01 volume   .20650E-02 ppm1      7.127 ppm2      3.393 CV     1
 OR { 2478}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 2479}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak  2479 spectrum    1 weight   .10000E+01 volume   .15793E-02 ppm1      7.124 ppm2      3.810 CV     1
 ASSI { 2481}
   (( segid "    " and resid 35   and name HE3 ))
   (( segid "    " and resid 35   and name HZ3 ))
      2.900     1.000     1.000 peak  2481 spectrum    1 weight   .10000E+01 volume   .19767E-02 ppm1      7.125 ppm2      6.031 CV     1
 ASSI { 2487}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 32   and name HE% )
      2.500      .800      .800 peak  2487 spectrum    1 weight   .10000E+01 volume   .37871E-02 ppm1      6.571 ppm2      6.990 CV     1
 ASSI { 2491}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak  2491 spectrum    1 weight   .10000E+01 volume   .18390E-02 ppm1      6.569 ppm2      1.798 CV     1
 ASSI { 2493}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 32   and name HA  ))
      3.800     3.800     2.200 peak  2493 spectrum    1 weight   .10000E+01 volume   .59481E-03 ppm1      6.574 ppm2      2.079 CV     1
 ASSI { 2496}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 32   and name HD% )
      3.900     2.000     2.000 peak  2496 spectrum    1 weight   .10000E+01 volume   .96884E-03 ppm1      7.007 ppm2      6.584 CV     1
 ASSI { 2520}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  2520 spectrum    1 weight   .10000E+01 volume   .74028E-03 ppm1      2.836 ppm2      8.124 CV     1
 ASSI { 2521}
   (( segid "    " and resid 43   and name HH2 ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak  2521 spectrum    1 weight   .10000E+01 volume   .86238E-03 ppm1      6.827 ppm2      3.560 CV     1
 ASSI { 2529}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak  2529 spectrum    1 weight   .10000E+01 volume   .82599E-03 ppm1      6.900 ppm2      3.388 CV     1
 OR { 2529}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 2534}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  2534 spectrum    1 weight   .10000E+01 volume   .22468E-02 ppm1      6.900 ppm2      5.195 CV     1
 ASSI { 2536}
   (( segid "    " and resid 35   and name HZ2 ))
   (( segid "    " and resid 35   and name HH2 ))
      2.600      .800      .800 peak  2536 spectrum    1 weight   .10000E+01 volume   .44365E-02 ppm1      7.305 ppm2      6.376 CV     1
 ASSI { 2541}
   (( segid "    " and resid 35   and name HE3 ))
   (  segid "    " and resid 40   and name HG2%)
      2.600      .800      .800 peak  2541 spectrum    1 weight   .10000E+01 volume   .40858E-02 ppm1      7.125 ppm2      1.345 CV     1
 ASSI { 2542}
   (( segid "    " and resid 35   and name HZ3 ))
   (  segid "    " and resid 70   and name HD2%)
      4.100     2.100     1.900 peak  2542 spectrum    1 weight   .10000E+01 volume   .42339E-03 ppm1      6.023 ppm2       .768 CV     1
 ASSI { 2544}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  2544 spectrum    1 weight   .10000E+01 volume   .52986E-03 ppm1      3.659 ppm2      7.717 CV     1
 ASSI { 2545}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak  2545 spectrum    1 weight   .10000E+01 volume   .99222E-03 ppm1      7.146 ppm2      4.685 CV     1
 ASSI { 2623}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      3.100     1.200     1.200 peak  2623 spectrum    1 weight   .10000E+01 volume   .15871E-02 ppm1      2.674 ppm2      4.352 CV     1
 ASSI { 2637}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.300     1.300 peak  2637 spectrum    1 weight   .10000E+01 volume   .20390E-02 ppm1      1.902 ppm2      8.897 CV     1
 ASSI { 2638}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak  2638 spectrum    1 weight   .10000E+01 volume   .12832E-02 ppm1      1.912 ppm2      8.571 CV     1
 OR { 2638}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2646}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE22))
      3.700     1.700     1.700 peak  2646 spectrum    1 weight   .10000E+01 volume   .14806E-02 ppm1      2.260 ppm2      7.079 CV     1
 ASSI { 2648}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      2.300      .600      .600 peak  2648 spectrum    1 weight   .10000E+01 volume   .25767E-02 ppm1      2.262 ppm2      8.438 CV     1
 ASSI { 2649}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE21))
      3.000     1.100     1.100 peak  2649 spectrum    1 weight   .10000E+01 volume   .13299E-02 ppm1      2.261 ppm2      6.733 CV     1
 ASSI { 2651}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HE21))
      3.900     1.900     1.900 peak  2651 spectrum    1 weight   .10000E+01 volume   .49352E-03 ppm1      2.168 ppm2      6.716 CV     1
 ASSI { 2653}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak  2653 spectrum    1 weight   .10000E+01 volume   .17897E-02 ppm1      1.888 ppm2      3.574 CV     1
 ASSI { 2657}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak  2657 spectrum    1 weight   .10000E+01 volume   .89611E-03 ppm1      2.784 ppm2      8.402 CV     1
 ASSI { 2658}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD22))
      4.000     2.000     2.000 peak  2658 spectrum    1 weight   .10000E+01 volume   .10104E-02 ppm1      2.824 ppm2      7.495 CV     1
 ASSI { 2660}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
      3.900     1.900     1.900 peak  2660 spectrum    1 weight   .10000E+01 volume   .99222E-03 ppm1      2.845 ppm2      7.569 CV     1
 ASSI { 2662}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD22))
      4.100     2.100     1.900 peak  2662 spectrum    1 weight   .10000E+01 volume   .77145E-03 ppm1      2.785 ppm2      7.566 CV     1
 ASSI { 2664}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.200      .600      .600 peak  2664 spectrum    1 weight   .10000E+01 volume   .83171E-02 ppm1      4.262 ppm2      8.055 CV     1
 ASSI { 2673}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HD22))
      4.200     2.200     1.800 peak  2673 spectrum    1 weight   .10000E+01 volume   .60260E-03 ppm1      3.026 ppm2      7.490 CV     1
 ASSI { 2674}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      3.600     1.600     1.600 peak  2674 spectrum    1 weight   .10000E+01 volume   .95326E-03 ppm1      1.605 ppm2      7.884 CV     1
 ASSI { 2675}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HD21))
      3.600     1.600     1.600 peak  2675 spectrum    1 weight   .10000E+01 volume   .46495E-03 ppm1      2.830 ppm2      6.924 CV     1
 ASSI { 2677}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HG2 ))
      3.000     1.100     1.100 peak  2677 spectrum    1 weight   .10000E+01 volume   .17039E-02 ppm1      1.598 ppm2      1.287 CV     1
 OR { 2677}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HG1 ))
 ASSI { 2678}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HG1 ))
      2.700      .900      .900 peak  2678 spectrum    1 weight   .10000E+01 volume   .28052E-02 ppm1      1.750 ppm2      1.299 CV     1
 OR { 2678}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HG2 ))
 ASSI { 2683}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak  2683 spectrum    1 weight   .10000E+01 volume   .17974E-02 ppm1       .787 ppm2      7.750 CV     1
 ASSI { 2690}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
      2.600      .800      .800 peak  2690 spectrum    1 weight   .10000E+01 volume   .34027E-02 ppm1       .787 ppm2      2.918 CV     1
 ASSI { 2691}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HB1 ))
      2.800     1.000     1.000 peak  2691 spectrum    1 weight   .10000E+01 volume   .27222E-02 ppm1       .787 ppm2      2.547 CV     1
 ASSI { 2692}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB  ))
      2.800     1.000     1.000 peak  2692 spectrum    1 weight   .10000E+01 volume   .24156E-02 ppm1       .787 ppm2      2.220 CV     1
 ASSI { 2694}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG12))
      2.300      .700      .700 peak  2694 spectrum    1 weight   .10000E+01 volume   .57558E-02 ppm1       .786 ppm2      1.592 CV     1
 ASSI { 2695}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG11))
      2.300      .600      .600 peak  2695 spectrum    1 weight   .10000E+01 volume   .66705E-02 ppm1       .787 ppm2      1.445 CV     1
 ASSI { 2698}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 92   and name HE% )
      3.000     1.100     1.100 peak  2698 spectrum    1 weight   .10000E+01 volume   .14026E-02 ppm1       .238 ppm2      7.204 CV     1
 ASSI { 2701}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 93   and name HA  ))
      2.700      .900      .900 peak  2701 spectrum    1 weight   .10000E+01 volume   .26884E-02 ppm1       .240 ppm2      3.811 CV     1
 ASSI { 2702}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
      3.900     1.900     1.900 peak  2702 spectrum    1 weight   .10000E+01 volume   .12857E-02 ppm1       .240 ppm2      3.560 CV     1
 ASSI { 2705}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB  ))
      2.300      .700      .700 peak  2705 spectrum    1 weight   .10000E+01 volume   .55896E-02 ppm1       .240 ppm2      1.753 CV     1
 ASSI { 2728}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak  2728 spectrum    1 weight   .10000E+01 volume   .15767E-02 ppm1       .921 ppm2      7.614 CV     1
 ASSI { 2730}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  2730 spectrum    1 weight   .10000E+01 volume   .23247E-02 ppm1       .921 ppm2      4.221 CV     1
 ASSI { 2731}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.000      .500      .500 peak  2731 spectrum    1 weight   .10000E+01 volume   .12385E-01 ppm1       .921 ppm2      1.833 CV     1
 ASSI { 2743}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
      3.500     1.600     1.600 peak  2743 spectrum    1 weight   .10000E+01 volume   .30416E-02 ppm1       .863 ppm2      3.667 CV     1
 ASSI { 2749}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HB  ))
      1.900      .500      .500 peak  2749 spectrum    1 weight   .10000E+01 volume   .16548E-01 ppm1       .863 ppm2      1.889 CV     1
 ASSI { 2752}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500      .800      .800 peak  2752 spectrum    1 weight   .10000E+01 volume   .33534E-02 ppm1       .981 ppm2      8.283 CV     1
 ASSI { 2753}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak  2753 spectrum    1 weight   .10000E+01 volume   .19611E-02 ppm1       .980 ppm2      8.102 CV     1
 ASSI { 2757}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  2757 spectrum    1 weight   .10000E+01 volume   .33403E-02 ppm1       .981 ppm2      4.269 CV     1
 ASSI { 2760}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 66   and name HB  ))
      2.100      .600      .600 peak  2760 spectrum    1 weight   .10000E+01 volume   .92496E-02 ppm1       .981 ppm2      2.679 CV     1
 ASSI { 2764}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  2764 spectrum    1 weight   .10000E+01 volume   .25923E-02 ppm1       .934 ppm2      8.538 CV     1
 ASSI { 2766}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700      .900      .900 peak  2766 spectrum    1 weight   .10000E+01 volume   .23170E-02 ppm1      4.075 ppm2      7.806 CV     1
 ASSI { 2767}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  2767 spectrum    1 weight   .10000E+01 volume   .19455E-02 ppm1       .932 ppm2      7.446 CV     1
 ASSI { 2768}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      2.600      .800      .800 peak  2768 spectrum    1 weight   .10000E+01 volume   .30208E-02 ppm1       .933 ppm2      4.347 CV     1
 ASSI { 2772}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2772 spectrum    1 weight   .10000E+01 volume   .14520E-02 ppm1       .933 ppm2      3.195 CV     1
 ASSI { 2777}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB  ))
      2.100      .600      .600 peak  2777 spectrum    1 weight   .10000E+01 volume   .89823E-02 ppm1       .933 ppm2      2.047 CV     1
 ASSI { 2782}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  2782 spectrum    1 weight   .10000E+01 volume   .77662E-03 ppm1       .810 ppm2      9.131 CV     1
 ASSI { 2783}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak  2783 spectrum    1 weight   .10000E+01 volume   .23871E-02 ppm1       .814 ppm2      8.579 CV     1
 ASSI { 2784}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.100     3.100     2.900 peak  2784 spectrum    1 weight   .10000E+01 volume   .59224E-03 ppm1       .815 ppm2      7.611 CV     1
 ASSI { 2789}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak  2789 spectrum    1 weight   .10000E+01 volume   .28468E-02 ppm1       .814 ppm2      3.665 CV     1
 ASSI { 2793}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB  ))
      2.400      .700      .700 peak  2793 spectrum    1 weight   .10000E+01 volume   .52858E-02 ppm1       .813 ppm2      1.834 CV     1
 ASSI { 2794}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG12))
      2.100      .600      .600 peak  2794 spectrum    1 weight   .10000E+01 volume   .90134E-02 ppm1       .813 ppm2      1.653 CV     1
 ASSI { 2801}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  2801 spectrum    1 weight   .10000E+01 volume   .25585E-02 ppm1      1.067 ppm2      8.538 CV     1
 ASSI { 2806}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.300      .700      .700 peak  2806 spectrum    1 weight   .10000E+01 volume   .61562E-02 ppm1      1.066 ppm2      3.633 CV     1
 ASSI { 2807}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  2807 spectrum    1 weight   .10000E+01 volume   .15611E-02 ppm1      1.065 ppm2      3.219 CV     1
 ASSI { 2808}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 57   and name HB1 ))
      2.700      .900      .900 peak  2808 spectrum    1 weight   .10000E+01 volume   .27767E-02 ppm1      1.065 ppm2      3.015 CV     1
 ASSI { 2811}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.100      .500      .500 peak  2811 spectrum    1 weight   .10000E+01 volume   .99611E-02 ppm1      1.066 ppm2      2.074 CV     1
 ASSI { 2812}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HG12))
      2.300      .700      .700 peak  2812 spectrum    1 weight   .10000E+01 volume   .46339E-02 ppm1      1.066 ppm2      1.847 CV     1
 ASSI { 2813}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 45   and name HG12))
      3.400     1.400     1.400 peak  2813 spectrum    1 weight   .10000E+01 volume   .24260E-02 ppm1      1.066 ppm2      1.648 CV     1
 ASSI { 2815}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      2.900     1.100     1.100 peak  2815 spectrum    1 weight   .10000E+01 volume   .18338E-02 ppm1      1.370 ppm2      8.898 CV     1
 ASSI { 2816}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 90   and name HN  ))
      2.600      .800      .800 peak  2816 spectrum    1 weight   .10000E+01 volume   .36832E-02 ppm1      1.370 ppm2      8.387 CV     1
 ASSI { 2817}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 89   and name HN  ))
      2.200      .600      .600 peak  2817 spectrum    1 weight   .10000E+01 volume   .80937E-02 ppm1      1.370 ppm2      8.096 CV     1
 ASSI { 2820}
   (  segid "    " and resid 89   and name HB% )
   (  segid "    " and resid 92   and name HD% )
      3.900     1.900     1.900 peak  2820 spectrum    1 weight   .10000E+01 volume   .71952E-03 ppm1      1.370 ppm2      7.123 CV     1
 ASSI { 2822}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 89   and name HA  ))
      2.100      .600      .600 peak  2822 spectrum    1 weight   .10000E+01 volume   .98393E-02 ppm1      1.370 ppm2      4.027 CV     1
 ASSI { 2838}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      2.500      .800      .800 peak  2838 spectrum    1 weight   .10000E+01 volume   .44988E-02 ppm1       .565 ppm2      3.569 CV     1
 ASSI { 2841}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HB  ))
      2.100      .600      .600 peak  2841 spectrum    1 weight   .10000E+01 volume   .99715E-02 ppm1       .565 ppm2      1.757 CV     1
 ASSI { 2844}
   (  segid "    " and resid 96   and name HG2%)
   (  segid "    " and resid 96   and name HD1%)
      2.400      .700      .700 peak  2844 spectrum    1 weight   .10000E+01 volume   .75325E-02 ppm1       .564 ppm2       .263 CV     1
 ASSI { 2847}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  2847 spectrum    1 weight   .10000E+01 volume   .21585E-02 ppm1       .529 ppm2      6.722 CV     1
 ASSI { 2848}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     2.800     3.200 peak  2848 spectrum    1 weight   .10000E+01 volume   .10936E-02 ppm1       .528 ppm2      4.044 CV     1
 ASSI { 2852}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 50   and name HB  ))
      2.500      .800      .800 peak  2852 spectrum    1 weight   .10000E+01 volume   .32988E-02 ppm1       .529 ppm2      2.281 CV     1
 ASSI { 2863}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  2863 spectrum    1 weight   .10000E+01 volume   .64935E-03 ppm1       .560 ppm2      8.587 CV     1
 ASSI { 2864}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak  2864 spectrum    1 weight   .10000E+01 volume   .40001E-02 ppm1       .560 ppm2      4.346 CV     1
 ASSI { 2872}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HG  ))
      2.400      .700      .700 peak  2872 spectrum    1 weight   .10000E+01 volume   .44313E-02 ppm1       .560 ppm2      1.241 CV     1
 ASSI { 2874}
   (  segid "    " and resid 56   and name HD2%)
   (  segid "    " and resid 56   and name HD1%)
      2.400      .700      .700 peak  2874 spectrum    1 weight   .10000E+01 volume   .65147E-02 ppm1       .560 ppm2       .269 CV     1
 ASSI { 2876}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 92   and name HN  ))
      3.800     1.800     1.800 peak  2876 spectrum    1 weight   .10000E+01 volume   .70394E-03 ppm1       .640 ppm2      8.474 CV     1
 ASSI { 2881}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  2881 spectrum    1 weight   .10000E+01 volume   .46079E-02 ppm1       .641 ppm2      4.205 CV     1
 ASSI { 2887}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  2887 spectrum    1 weight   .10000E+01 volume   .64417E-03 ppm1       .680 ppm2      8.459 CV     1
 ASSI { 2890}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 48   and name HD2%)
      3.200     1.300     1.300 peak  2890 spectrum    1 weight   .10000E+01 volume   .13169E-02 ppm1      2.610 ppm2       .708 CV     1
 ASSI { 2892}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak  2892 spectrum    1 weight   .10000E+01 volume   .25793E-02 ppm1       .681 ppm2      4.196 CV     1
 ASSI { 2896}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 92   and name HB1 ))
      3.600     1.600     1.600 peak  2896 spectrum    1 weight   .10000E+01 volume   .17169E-02 ppm1       .681 ppm2      3.151 CV     1
 ASSI { 2905}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      2.500      .800      .800 peak  2905 spectrum    1 weight   .10000E+01 volume   .48105E-02 ppm1      1.065 ppm2      9.037 CV     1
 ASSI { 2907}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak  2907 spectrum    1 weight   .10000E+01 volume   .14286E-02 ppm1      1.078 ppm2      8.100 CV     1
 ASSI { 2913}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak  2913 spectrum    1 weight   .10000E+01 volume   .17792E-02 ppm1      1.079 ppm2      6.540 CV     1
 ASSI { 2919}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 66   and name HB  ))
      2.300      .600      .600 peak  2919 spectrum    1 weight   .10000E+01 volume   .65482E-02 ppm1      1.080 ppm2      2.677 CV     1
 ASSI { 2926}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
      3.500     1.500     1.500 peak  2926 spectrum    1 weight   .10000E+01 volume   .17715E-02 ppm1      1.074 ppm2      4.349 CV     1
 ASSI { 2932}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      2.300      .700      .700 peak  2932 spectrum    1 weight   .10000E+01 volume   .66158E-02 ppm1      1.074 ppm2      1.685 CV     1
 ASSI { 2933}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.700      .900      .900 peak  2933 spectrum    1 weight   .10000E+01 volume   .47326E-02 ppm1      1.074 ppm2      1.893 CV     1
 ASSI { 2935}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 93   and name HE2 ))
      2.800     1.000     1.000 peak  2935 spectrum    1 weight   .10000E+01 volume   .14832E-02 ppm1      1.445 ppm2      3.025 CV     1
 ASSI { 2937}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  2937 spectrum    1 weight   .10000E+01 volume   .56103E-03 ppm1      1.192 ppm2      9.143 CV     1
 ASSI { 2938}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      3.500     1.600     1.600 peak  2938 spectrum    1 weight   .10000E+01 volume   .21377E-02 ppm1      1.176 ppm2      8.308 CV     1
 ASSI { 2939}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak  2939 spectrum    1 weight   .10000E+01 volume   .14598E-02 ppm1      1.175 ppm2      8.126 CV     1
 ASSI { 2940}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      4.100     2.100     1.900 peak  2940 spectrum    1 weight   .10000E+01 volume   .69353E-03 ppm1      1.191 ppm2      7.779 CV     1
 ASSI { 2942}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      2.700      .900      .900 peak  2942 spectrum    1 weight   .10000E+01 volume   .37689E-02 ppm1      1.190 ppm2      7.010 CV     1
 ASSI { 2944}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HB  ))
      2.100      .500      .500 peak  2944 spectrum    1 weight   .10000E+01 volume   .13938E-01 ppm1      1.190 ppm2      4.545 CV     1
 ASSI { 2946}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2946 spectrum    1 weight   .10000E+01 volume   .99483E-03 ppm1      1.871 ppm2      9.134 CV     1
 ASSI { 2947}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.300      .700      .700 peak  2947 spectrum    1 weight   .10000E+01 volume   .79561E-02 ppm1      1.176 ppm2      3.815 CV     1
 ASSI { 2954}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700      .900      .900 peak  2954 spectrum    1 weight   .10000E+01 volume   .13117E-02 ppm1      2.214 ppm2      9.133 CV     1
 ASSI { 2972}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      2.600      .900      .900 peak  2972 spectrum    1 weight   .10000E+01 volume   .38547E-02 ppm1      1.456 ppm2      4.266 CV     1
 ASSI { 2973}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.500      .800      .800 peak  2973 spectrum    1 weight   .10000E+01 volume   .40703E-02 ppm1      1.633 ppm2      4.268 CV     1
 ASSI { 2983}
   (( segid "    " and resid 104  and name HG  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700      .900      .900 peak  2983 spectrum    1 weight   .10000E+01 volume   .21871E-02 ppm1      1.623 ppm2      4.270 CV     1
 ASSI { 2987}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 106  and name HZ2 ))
      4.000     2.000     2.000 peak  2987 spectrum    1 weight   .10000E+01 volume   .58702E-03 ppm1       .901 ppm2      7.491 CV     1
 ASSI { 2990}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 104  and name HA  ))
      3.200     1.300     1.300 peak  2990 spectrum    1 weight   .10000E+01 volume   .22858E-02 ppm1       .900 ppm2      4.263 CV     1
 ASSI { 2997}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  2997 spectrum    1 weight   .10000E+01 volume   .17195E-02 ppm1      1.455 ppm2      7.862 CV     1
 ASSI { 2998}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.600      .800      .800 peak  2998 spectrum    1 weight   .10000E+01 volume   .29169E-02 ppm1      1.633 ppm2      7.864 CV     1
 ASSI { 2999}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.500     1.500 peak  2999 spectrum    1 weight   .10000E+01 volume   .27975E-02 ppm1      1.004 ppm2      9.040 CV     1
 ASSI { 3001}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  3001 spectrum    1 weight   .10000E+01 volume   .32650E-02 ppm1      1.003 ppm2      7.752 CV     1
 ASSI { 3008}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HB  ))
      2.100      .600      .600 peak  3008 spectrum    1 weight   .10000E+01 volume   .93871E-02 ppm1      1.004 ppm2      2.048 CV     1
 ASSI { 3019}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 108  and name HA  ))
      3.200     1.300     1.300 peak  3019 spectrum    1 weight   .10000E+01 volume   .14260E-02 ppm1      2.522 ppm2      4.356 CV     1
 ASSI { 3022}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      3.300     1.300     1.300 peak  3022 spectrum    1 weight   .10000E+01 volume   .90390E-03 ppm1      2.662 ppm2      7.802 CV     1
 ASSI { 3026}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
      3.400     1.500     1.500 peak  3026 spectrum    1 weight   .10000E+01 volume   .19923E-02 ppm1       .787 ppm2      8.274 CV     1
 ASSI { 3036}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HG  ))
      2.000      .500      .500 peak  3036 spectrum    1 weight   .10000E+01 volume   .17439E-01 ppm1       .786 ppm2      1.937 CV     1
 ASSI { 3044}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600      .800      .800 peak  3044 spectrum    1 weight   .10000E+01 volume   .39767E-02 ppm1      4.399 ppm2      8.278 CV     1
 ASSI { 3046}
   (( segid "    " and resid 81   and name HG  ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.400     1.400 peak  3046 spectrum    1 weight   .10000E+01 volume   .18260E-02 ppm1      1.936 ppm2      8.274 CV     1
 ASSI { 3054}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.700     1.700 peak  3054 spectrum    1 weight   .10000E+01 volume   .16208E-02 ppm1       .890 ppm2      8.267 CV     1
 ASSI { 3058}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HB1 ))
      2.300      .600      .600 peak  3058 spectrum    1 weight   .10000E+01 volume   .62341E-02 ppm1       .892 ppm2      1.374 CV     1
 ASSI { 3063}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HD2 ))
      2.100      .600      .600 peak  3063 spectrum    1 weight   .10000E+01 volume   .10715E-01 ppm1      2.865 ppm2      1.593 CV     1
 OR { 3063}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HD1 ))
 OR { 3063}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HD1 ))
 OR { 3063}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HD2 ))
 ASSI { 3069}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HE2 ))
      3.500     1.500     1.500 peak  3069 spectrum    1 weight   .10000E+01 volume   .70911E-03 ppm1      1.297 ppm2      2.953 CV     1
 OR { 3069}
   (( segid "    " and resid 107  and name HG1 ))
   (( segid "    " and resid 107  and name HE1 ))
 OR { 3069}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HE1 ))
 OR { 3069}
   (( segid "    " and resid 107  and name HG1 ))
   (( segid "    " and resid 107  and name HE2 ))
 ASSI { 3077}
   (( segid "    " and resid 107  and name HD1 ))
   (( segid "    " and resid 107  and name HE1 ))
      2.300      .700      .700 peak  3077 spectrum    1 weight   .10000E+01 volume   .73481E-02 ppm1      1.602 ppm2      2.959 CV     1
 OR { 3077}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HE2 ))
 OR { 3077}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HE1 ))
 OR { 3077}
   (( segid "    " and resid 107  and name HD1 ))
   (( segid "    " and resid 107  and name HE2 ))
 ASSI { 3078}
   (( segid "    " and resid 107  and name HD1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.400     1.400     1.400 peak  3078 spectrum    1 weight   .10000E+01 volume   .17195E-02 ppm1      1.601 ppm2      4.296 CV     1
 OR { 3078}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 3084}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HA  ))
      2.200      .600      .600 peak  3084 spectrum    1 weight   .10000E+01 volume   .10278E-01 ppm1      4.009 ppm2      4.396 CV     1
 OR { 3084}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI { 3088}
   (( segid "    " and resid 98   and name HE2 ))
   (( segid "    " and resid 98   and name HD1 ))
      2.000      .500      .500 peak  3088 spectrum    1 weight   .10000E+01 volume   .15746E-01 ppm1      2.962 ppm2      1.707 CV     1
 OR { 3088}
   (( segid "    " and resid 98   and name HE1 ))
   (( segid "    " and resid 98   and name HD2 ))
 OR { 3088}
   (( segid "    " and resid 98   and name HE1 ))
   (( segid "    " and resid 98   and name HD1 ))
 OR { 3088}
   (( segid "    " and resid 98   and name HE2 ))
   (( segid "    " and resid 98   and name HD2 ))
 ASSI { 3089}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HA  ))
      4.200     2.200     1.800 peak  3089 spectrum    1 weight   .10000E+01 volume   .53248E-03 ppm1      2.866 ppm2      4.241 CV     1
 OR { 3089}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI { 3090}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HG1 ))
      2.600      .800      .800 peak  3090 spectrum    1 weight   .10000E+01 volume   .43923E-02 ppm1      2.864 ppm2      1.397 CV     1
 OR { 3090}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HG2 ))
 OR { 3090}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HG2 ))
 OR { 3090}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HG1 ))
 ASSI { 3091}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HB2 ))
      3.600     1.600     1.600 peak  3091 spectrum    1 weight   .10000E+01 volume   .11091E-02 ppm1      2.864 ppm2      1.894 CV     1
 OR { 3091}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 3092}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HB1 ))
      3.300     1.400     1.400 peak  3092 spectrum    1 weight   .10000E+01 volume   .18831E-02 ppm1      2.863 ppm2      1.788 CV     1
 OR { 3092}
   (( segid "    " and resid 103  and name HE2 ))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 3095}
   (( segid "    " and resid 100  and name HD2 ))
   (( segid "    " and resid 100  and name HB2 ))
      3.200     1.300     1.300 peak  3095 spectrum    1 weight   .10000E+01 volume   .19325E-02 ppm1      3.083 ppm2      1.945 CV     1
 ASSI { 3100}
   (( segid "    " and resid 100  and name HD2 ))
   (( segid "    " and resid 100  and name HG1 ))
      2.600      .800      .800 peak  3100 spectrum    1 weight   .10000E+01 volume   .25533E-02 ppm1      3.082 ppm2      1.535 CV     1
 ASSI { 3104}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HD2 ))
      2.800     1.000     1.000 peak  3104 spectrum    1 weight   .10000E+01 volume   .14832E-02 ppm1      1.735 ppm2      3.057 CV     1
 OR { 3104}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HD1 ))
 ASSI { 3111}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200      .600      .600 peak  3111 spectrum    1 weight   .10000E+01 volume   .84832E-02 ppm1      1.920 ppm2      4.071 CV     1
 OR { 3111}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 3113}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  3113 spectrum    1 weight   .10000E+01 volume   .10832E-02 ppm1      2.220 ppm2      7.008 CV     1
 ASSI { 3114}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HA  ))
      3.300     1.400     1.400 peak  3114 spectrum    1 weight   .10000E+01 volume   .98443E-03 ppm1      2.233 ppm2      4.121 CV     1
 OR { 3114}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 3120}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      3.400     1.500     1.500 peak  3120 spectrum    1 weight   .10000E+01 volume   .13351E-02 ppm1      1.824 ppm2      8.096 CV     1
 ASSI { 3121}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      2.100      .600      .600 peak  3121 spectrum    1 weight   .10000E+01 volume   .11478E-01 ppm1       .876 ppm2      3.951 CV     1
 ASSI { 3130}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HG2 ))
      2.900     1.100     1.100 peak  3130 spectrum    1 weight   .10000E+01 volume   .23274E-02 ppm1      1.926 ppm2      2.459 CV     1
 ASSI { 3131}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HG1 ))
      3.100     1.200     1.200 peak  3131 spectrum    1 weight   .10000E+01 volume   .15663E-02 ppm1      1.927 ppm2      2.379 CV     1
 ASSI { 3135}
   (( segid "    " and resid 96   and name HG11))
   (  segid "    " and resid 96   and name HD1%)
      2.800     1.000     1.000 peak  3135 spectrum    1 weight   .10000E+01 volume   .16260E-02 ppm1       .668 ppm2       .256 CV     1
 ASSI { 3140}
   (( segid "    " and resid 96   and name HG11))
   (( segid "    " and resid 96   and name HB  ))
      2.900     1.100     1.100 peak  3140 spectrum    1 weight   .10000E+01 volume   .12104E-02 ppm1       .664 ppm2      1.757 CV     1
 ASSI { 3141}
   (( segid "    " and resid 96   and name HG11))
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.300     1.300 peak  3141 spectrum    1 weight   .10000E+01 volume   .84680E-03 ppm1       .670 ppm2      3.560 CV     1
 ASSI { 3144}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.300     1.400     1.400 peak  3144 spectrum    1 weight   .10000E+01 volume   .14935E-02 ppm1      1.495 ppm2      3.544 CV     1
 ASSI { 3147}
   (( segid "    " and resid 98   and name HG1 ))
   (( segid "    " and resid 98   and name HN  ))
      3.500     1.500     1.500 peak  3147 spectrum    1 weight   .10000E+01 volume   .10987E-02 ppm1      1.501 ppm2      8.112 CV     1
 ASSI { 3155}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HN  ))
      3.900     1.900     1.900 peak  3155 spectrum    1 weight   .10000E+01 volume   .14234E-02 ppm1      1.686 ppm2      8.120 CV     1
 ASSI { 3156}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HA  ))
      3.200     1.300     1.300 peak  3156 spectrum    1 weight   .10000E+01 volume   .22286E-02 ppm1      1.684 ppm2      4.142 CV     1
 ASSI { 3158}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HE1 ))
      2.900     1.100     1.100 peak  3158 spectrum    1 weight   .10000E+01 volume   .22079E-02 ppm1      1.682 ppm2      2.977 CV     1
 OR { 3158}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HE2 ))
 ASSI { 3159}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HB1 ))
      2.300      .700      .700 peak  3159 spectrum    1 weight   .10000E+01 volume   .52365E-02 ppm1      1.684 ppm2      1.985 CV     1
 OR { 3159}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 3160}
   (( segid "    " and resid 98   and name HG1 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.600      .800      .800 peak  3160 spectrum    1 weight   .10000E+01 volume   .43507E-02 ppm1      1.501 ppm2      1.985 CV     1
 OR { 3160}
   (( segid "    " and resid 98   and name HG1 ))
   (( segid "    " and resid 98   and name HB1 ))
 ASSI { 3162}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.200      .600      .600 peak  3162 spectrum    1 weight   .10000E+01 volume   .85794E-02 ppm1      1.687 ppm2      1.982 CV     1
 OR { 3162}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HB2 ))
 OR { 3162}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HB1 ))
 OR { 3162}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 98   and name HB1 ))
 ASSI { 3164}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      3.100     1.200     1.200 peak  3164 spectrum    1 weight   .10000E+01 volume   .65975E-03 ppm1      2.079 ppm2      7.814 CV     1
 ASSI { 3166}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HB2 ))
      2.000      .500      .500 peak  3166 spectrum    1 weight   .10000E+01 volume   .44183E-02 ppm1      1.723 ppm2      2.074 CV     1
 ASSI { 3173}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  3173 spectrum    1 weight   .10000E+01 volume   .22001E-02 ppm1       .714 ppm2      2.071 CV     1
 ASSI { 3174}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 95   and name HG  ))
      2.400      .700      .700 peak  3174 spectrum    1 weight   .10000E+01 volume   .50600E-02 ppm1       .713 ppm2      1.807 CV     1
 ASSI { 3180}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.300     1.300 peak  3180 spectrum    1 weight   .10000E+01 volume   .10182E-02 ppm1      1.783 ppm2      4.023 CV     1
 ASSI { 3182}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800      .900      .900 peak  3182 spectrum    1 weight   .10000E+01 volume   .19455E-02 ppm1      1.785 ppm2      7.475 CV     1
 ASSI { 3184}
   (( segid "    " and resid 95   and name HG  ))
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak  3184 spectrum    1 weight   .10000E+01 volume   .10727E-02 ppm1      1.820 ppm2      4.086 CV     1
 ASSI { 3186}
   (( segid "    " and resid 94   and name HG11))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3186 spectrum    1 weight   .10000E+01 volume   .11793E-02 ppm1      1.156 ppm2      8.457 CV     1
 ASSI { 3188}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  3188 spectrum    1 weight   .10000E+01 volume   .10130E-02 ppm1      1.658 ppm2      7.321 CV     1
 OR { 3188}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 3192}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HE1 ))
      2.800     1.000     1.000 peak  3192 spectrum    1 weight   .10000E+01 volume   .23325E-02 ppm1      1.360 ppm2      2.924 CV     1
 OR { 3192}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HE2 ))
 ASSI { 3195}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.900     1.900     1.900 peak  3195 spectrum    1 weight   .10000E+01 volume   .10727E-02 ppm1      1.626 ppm2      7.323 CV     1
 ASSI { 3197}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak  3197 spectrum    1 weight   .10000E+01 volume   .13533E-02 ppm1      1.631 ppm2      3.923 CV     1
 ASSI { 3201}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE1 ))
      3.000     1.200     1.200 peak  3201 spectrum    1 weight   .10000E+01 volume   .17974E-02 ppm1      1.628 ppm2      2.940 CV     1
 OR { 3201}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE2 ))
 ASSI { 3205}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.300      .600      .600 peak  3205 spectrum    1 weight   .10000E+01 volume   .64052E-02 ppm1      3.912 ppm2      1.900 CV     1
 ASSI { 3206}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HD1 ))
      2.600      .800      .800 peak  3206 spectrum    1 weight   .10000E+01 volume   .43794E-02 ppm1      3.911 ppm2      1.662 CV     1
 OR { 3206}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3207}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
      2.700      .900      .900 peak  3207 spectrum    1 weight   .10000E+01 volume   .29923E-02 ppm1      3.910 ppm2      1.379 CV     1
 ASSI { 3208}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HE2 ))
      3.700     1.700     1.700 peak  3208 spectrum    1 weight   .10000E+01 volume   .12832E-02 ppm1      1.928 ppm2      2.944 CV     1
 OR { 3208}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HE1 ))
 ASSI { 3211}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.500      .800      .800 peak  3211 spectrum    1 weight   .10000E+01 volume   .23429E-02 ppm1      1.933 ppm2      7.322 CV     1
 ASSI { 3212}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  3212 spectrum    1 weight   .10000E+01 volume   .20052E-02 ppm1      1.846 ppm2      7.323 CV     1
 ASSI { 3217}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.300     1.300 peak  3217 spectrum    1 weight   .10000E+01 volume   .10754E-02 ppm1      3.871 ppm2      8.093 CV     1
 ASSI { 3218}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.300      .700      .700 peak  3218 spectrum    1 weight   .10000E+01 volume   .57351E-02 ppm1      3.873 ppm2      1.860 CV     1
 ASSI { 3219}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.500      .800      .800 peak  3219 spectrum    1 weight   .10000E+01 volume   .61872E-02 ppm1      3.872 ppm2      1.671 CV     1
 ASSI { 3220}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      2.900     1.100     1.100 peak  3220 spectrum    1 weight   .10000E+01 volume   .36416E-02 ppm1      3.870 ppm2      1.464 CV     1
 OR { 3220}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI { 3223}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HE2 ))
      4.000     2.000     2.000 peak  3223 spectrum    1 weight   .10000E+01 volume   .10000E-02 ppm1      1.684 ppm2      2.943 CV     1
 ASSI { 3224}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HE2 ))
      3.600     1.600     1.600 peak  3224 spectrum    1 weight   .10000E+01 volume   .13818E-02 ppm1      1.829 ppm2      2.942 CV     1
 ASSI { 3228}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG  ))
      1.900      .500      .500 peak  3228 spectrum    1 weight   .10000E+01 volume   .16917E-01 ppm1       .878 ppm2      1.677 CV     1
 ASSI { 3229}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  3229 spectrum    1 weight   .10000E+01 volume   .20624E-02 ppm1       .877 ppm2      8.362 CV     1
 ASSI { 3235}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
      2.700      .900      .900 peak  3235 spectrum    1 weight   .10000E+01 volume   .45949E-02 ppm1      2.738 ppm2      4.421 CV     1
 ASSI { 3237}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      3.000     1.100     1.100 peak  3237 spectrum    1 weight   .10000E+01 volume   .40027E-02 ppm1      2.738 ppm2      8.273 CV     1
 ASSI { 3244}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.900     1.000     1.000 peak  3244 spectrum    1 weight   .10000E+01 volume   .14208E-02 ppm1      3.941 ppm2      3.445 CV     1
 ASSI { 3247}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300      .700      .700 peak  3247 spectrum    1 weight   .10000E+01 volume   .64782E-02 ppm1      3.954 ppm2      2.179 CV     1
 ASSI { 3248}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
      2.900     1.100     1.100 peak  3248 spectrum    1 weight   .10000E+01 volume   .26078E-02 ppm1      4.068 ppm2      1.596 CV     1
 ASSI { 3251}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700      .900      .900 peak  3251 spectrum    1 weight   .10000E+01 volume   .34339E-02 ppm1      3.283 ppm2      4.951 CV     1
 OR { 3251}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3255}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  3255 spectrum    1 weight   .10000E+01 volume   .14338E-02 ppm1      4.286 ppm2      7.371 CV     1
 ASSI { 3257}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.200     1.200 peak  3257 spectrum    1 weight   .10000E+01 volume   .13559E-02 ppm1      1.708 ppm2      4.014 CV     1
 ASSI { 3258}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600      .800      .800 peak  3258 spectrum    1 weight   .10000E+01 volume   .43144E-02 ppm1      4.285 ppm2      1.956 CV     1
 ASSI { 3261}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  3261 spectrum    1 weight   .10000E+01 volume   .91948E-03 ppm1      1.126 ppm2      4.014 CV     1
 ASSI { 3272}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.800      .900      .900 peak  3272 spectrum    1 weight   .10000E+01 volume   .14857E-02 ppm1      1.708 ppm2      7.478 CV     1
 ASSI { 3273}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB1 ))
      2.000      .500      .500 peak  3273 spectrum    1 weight   .10000E+01 volume   .49687E-02 ppm1      1.713 ppm2      1.138 CV     1
 ASSI { 3277}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HG  ))
      2.000      .500      .500 peak  3277 spectrum    1 weight   .10000E+01 volume   .12925E-01 ppm1       .768 ppm2      1.786 CV     1
 ASSI { 3282}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  3282 spectrum    1 weight   .10000E+01 volume   .28806E-02 ppm1      2.559 ppm2      4.387 CV     1
 ASSI { 3284}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.600      .800      .800 peak  3284 spectrum    1 weight   .10000E+01 volume   .45949E-02 ppm1      2.713 ppm2      4.396 CV     1
 ASSI { 3291}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.300     1.400     1.400 peak  3291 spectrum    1 weight   .10000E+01 volume   .17507E-02 ppm1      1.845 ppm2      3.212 CV     1
 OR { 3291}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 3292}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  3292 spectrum    1 weight   .10000E+01 volume   .29611E-02 ppm1      3.176 ppm2      4.089 CV     1
 ASSI { 3297}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      2.400      .700      .700 peak  3297 spectrum    1 weight   .10000E+01 volume   .44521E-02 ppm1      1.922 ppm2      7.438 CV     1
 OR { 3297}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 3298}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  3298 spectrum    1 weight   .10000E+01 volume   .20910E-02 ppm1      1.921 ppm2      8.610 CV     1
 OR { 3298}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 3301}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  3301 spectrum    1 weight   .10000E+01 volume   .13429E-02 ppm1      2.036 ppm2      4.007 CV     1
 ASSI { 3302}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      1.900      .500      .500 peak  3302 spectrum    1 weight   .10000E+01 volume   .47664E-02 ppm1      2.038 ppm2      1.394 CV     1
 ASSI { 3305}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  3305 spectrum    1 weight   .10000E+01 volume   .11662E-02 ppm1      3.977 ppm2      8.596 CV     1
 ASSI { 3307}
   (( segid "    " and resid 65   and name HG11))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  3307 spectrum    1 weight   .10000E+01 volume   .19429E-02 ppm1      1.424 ppm2      3.997 CV     1
 ASSI { 3308}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  3308 spectrum    1 weight   .10000E+01 volume   .67534E-03 ppm1      2.241 ppm2      9.135 CV     1
 ASSI { 3309}
   (( segid "    " and resid 65   and name HG11))
   (  segid "    " and resid 65   and name HG2%)
      2.700      .900      .900 peak  3309 spectrum    1 weight   .10000E+01 volume   .54441E-02 ppm1      1.421 ppm2       .898 CV     1
 ASSI { 3310}
   (( segid "    " and resid 65   and name HG11))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak  3310 spectrum    1 weight   .10000E+01 volume   .13611E-02 ppm1      1.421 ppm2      7.752 CV     1
 ASSI { 3311}
   (( segid "    " and resid 65   and name HG11))
   (( segid "    " and resid 65   and name HB  ))
      2.700      .900      .900 peak  3311 spectrum    1 weight   .10000E+01 volume   .20494E-02 ppm1      1.422 ppm2      2.216 CV     1
 ASSI { 3312}
   (( segid "    " and resid 65   and name HG11))
   (( segid "    " and resid 63   and name HB1 ))
      3.100     1.200     1.200 peak  3312 spectrum    1 weight   .10000E+01 volume   .83121E-03 ppm1      1.424 ppm2      2.550 CV     1
 ASSI { 3314}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700      .900      .900 peak  3314 spectrum    1 weight   .10000E+01 volume   .23793E-02 ppm1      3.225 ppm2      4.094 CV     1
 ASSI { 3318}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak  3318 spectrum    1 weight   .10000E+01 volume   .11585E-02 ppm1      3.179 ppm2      2.334 CV     1
 ASSI { 3319}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
      3.500     1.600     1.600 peak  3319 spectrum    1 weight   .10000E+01 volume   .10000E-02 ppm1      3.225 ppm2      2.330 CV     1
 ASSI { 3323}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.400     1.400     1.400 peak  3323 spectrum    1 weight   .10000E+01 volume   .60260E-03 ppm1      2.325 ppm2      3.210 CV     1
 OR { 3323}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 3326}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.600      .900      .900 peak  3326 spectrum    1 weight   .10000E+01 volume   .29404E-02 ppm1      1.907 ppm2      3.219 CV     1
 OR { 3326}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 3326}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 3326}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 3327}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.800     1.800 peak  3327 spectrum    1 weight   .10000E+01 volume   .16831E-02 ppm1      2.343 ppm2      7.611 CV     1
 ASSI { 3328}
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.800     1.800 peak  3328 spectrum    1 weight   .10000E+01 volume   .14961E-02 ppm1      2.301 ppm2      7.601 CV     1
 ASSI { 3329}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700      .900      .900 peak  3329 spectrum    1 weight   .10000E+01 volume   .27481E-02 ppm1      4.037 ppm2      7.583 CV     1
 ASSI { 3330}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE21))
      3.400     1.500     1.500 peak  3330 spectrum    1 weight   .10000E+01 volume   .48832E-03 ppm1      2.342 ppm2      6.794 CV     1
 ASSI { 3333}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
      2.300      .700      .700 peak  3333 spectrum    1 weight   .10000E+01 volume   .76341E-02 ppm1      4.036 ppm2      2.334 CV     1
 OR { 3333}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG1 ))
 ASSI { 3337}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  3337 spectrum    1 weight   .10000E+01 volume   .97146E-03 ppm1      2.296 ppm2      9.137 CV     1
 ASSI { 3338}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  3338 spectrum    1 weight   .10000E+01 volume   .16910E-02 ppm1      2.036 ppm2      9.135 CV     1
 ASSI { 3344}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 53   and name HG2%)
      3.600     1.600     1.600 peak  3344 spectrum    1 weight   .10000E+01 volume   .78703E-03 ppm1      2.033 ppm2      1.212 CV     1
 OR { 3344}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 53   and name HG2%)
 ASSI { 3347}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  3347 spectrum    1 weight   .10000E+01 volume   .24468E-02 ppm1      2.040 ppm2      4.060 CV     1
 ASSI { 3348}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  3348 spectrum    1 weight   .10000E+01 volume   .68313E-03 ppm1      2.035 ppm2      7.229 CV     1
 ASSI { 3349}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak  3349 spectrum    1 weight   .10000E+01 volume   .16234E-02 ppm1      1.943 ppm2      4.057 CV     1
 ASSI { 3352}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak  3352 spectrum    1 weight   .10000E+01 volume   .14312E-02 ppm1      2.030 ppm2      1.754 CV     1
 ASSI { 3354}
   (( segid "    " and resid 49   and name HB1 ))
   (  segid "    " and resid 56   and name HD2%)
      3.000     1.100     1.100 peak  3354 spectrum    1 weight   .10000E+01 volume   .14857E-02 ppm1      2.037 ppm2       .583 CV     1
 ASSI { 3357}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 47   and name HG2%)
      3.000     1.100     1.100 peak  3357 spectrum    1 weight   .10000E+01 volume   .18364E-02 ppm1      3.911 ppm2       .959 CV     1
 OR { 3357}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 3358}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  3358 spectrum    1 weight   .10000E+01 volume   .13299E-02 ppm1      3.911 ppm2      8.056 CV     1
 OR { 3358}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3360}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      2.500      .800      .800 peak  3360 spectrum    1 weight   .10000E+01 volume   .82342E-02 ppm1       .963 ppm2      4.091 CV     1
 ASSI { 3364}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak  3364 spectrum    1 weight   .10000E+01 volume   .18390E-02 ppm1       .964 ppm2      8.056 CV     1
 ASSI { 3368}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  3368 spectrum    1 weight   .10000E+01 volume   .75325E-03 ppm1       .963 ppm2      8.316 CV     1
 ASSI { 3370}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.700      .900      .900 peak  3370 spectrum    1 weight   .10000E+01 volume   .24910E-02 ppm1      3.293 ppm2      1.941 CV     1
 OR { 3370}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 3372}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HE  ))
      3.300     1.400     1.400 peak  3372 spectrum    1 weight   .10000E+01 volume   .69871E-03 ppm1      3.285 ppm2      7.351 CV     1
 ASSI { 3375}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.600      .900      .900 peak  3375 spectrum    1 weight   .10000E+01 volume   .27793E-02 ppm1      3.292 ppm2      1.596 CV     1
 ASSI { 3376}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.800     1.000     1.000 peak  3376 spectrum    1 weight   .10000E+01 volume   .23247E-02 ppm1      3.292 ppm2      1.753 CV     1
 ASSI { 3395}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  3395 spectrum    1 weight   .10000E+01 volume   .26131E-02 ppm1      2.288 ppm2      8.435 CV     1
 ASSI { 3398}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.600      .800      .800 peak  3398 spectrum    1 weight   .10000E+01 volume   .18650E-02 ppm1      2.359 ppm2      8.430 CV     1
 ASSI { 3406}
   (( segid "    " and resid 107  and name HG1 ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     1.000     1.000 peak  3406 spectrum    1 weight   .10000E+01 volume   .18183E-02 ppm1      1.297 ppm2      4.320 CV     1
 OR { 3406}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 3407}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HN  ))
      4.000     2.000     2.000 peak  3407 spectrum    1 weight   .10000E+01 volume   .54288E-03 ppm1      1.294 ppm2      7.871 CV     1
 OR { 3407}
   (( segid "    " and resid 107  and name HG1 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 3409}
   (( segid "    " and resid 106  and name HD1 ))
   (( segid "    " and resid 106  and name HN  ))
      3.300     1.300     1.300 peak  3409 spectrum    1 weight   .10000E+01 volume   .10832E-02 ppm1      7.181 ppm2      8.041 CV     1
 ASSI { 3410}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.500      .800      .800 peak  3410 spectrum    1 weight   .10000E+01 volume   .46884E-02 ppm1      4.375 ppm2      7.965 CV     1
 ASSI { 3413}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  3413 spectrum    1 weight   .10000E+01 volume   .88314E-03 ppm1      4.289 ppm2      7.193 CV     1
 ASSI { 3416}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HN  ))
      4.600     2.600     1.400 peak  3416 spectrum    1 weight   .10000E+01 volume   .52207E-03 ppm1      7.130 ppm2      8.474 CV     1
 ASSI { 3418}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.500      .800      .800 peak  3418 spectrum    1 weight   .10000E+01 volume   .45118E-02 ppm1      1.961 ppm2      4.279 CV     1
 ASSI { 3420}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak  3420 spectrum    1 weight   .10000E+01 volume   .14000E-02 ppm1      2.392 ppm2      7.717 CV     1
 ASSI { 3428}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.600     1.600     1.600 peak  3428 spectrum    1 weight   .10000E+01 volume   .69353E-03 ppm1      4.239 ppm2      3.242 CV     1
 OR { 3428}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 3429}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.400      .700      .700 peak  3429 spectrum    1 weight   .10000E+01 volume   .48676E-02 ppm1      4.237 ppm2      7.890 CV     1
 ASSI { 3435}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      2.600      .900      .900 peak  3435 spectrum    1 weight   .10000E+01 volume   .28598E-02 ppm1      2.821 ppm2      4.097 CV     1
 ASSI { 3436}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700      .900      .900 peak  3436 spectrum    1 weight   .10000E+01 volume   .32209E-02 ppm1      4.011 ppm2      8.077 CV     1
 ASSI { 3438}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  3438 spectrum    1 weight   .10000E+01 volume   .13247E-02 ppm1      1.705 ppm2      8.068 CV     1
 ASSI { 3441}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
      3.200     1.300     1.300 peak  3441 spectrum    1 weight   .10000E+01 volume   .12442E-02 ppm1      4.014 ppm2      6.998 CV     1
 ASSI { 3442}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak  3442 spectrum    1 weight   .10000E+01 volume   .95070E-03 ppm1      1.741 ppm2      4.231 CV     1
 ASSI { 3443}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HD1 ))
      3.900     1.900     1.900 peak  3443 spectrum    1 weight   .10000E+01 volume   .95849E-03 ppm1      4.012 ppm2      3.070 CV     1
 OR { 3443}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HD2 ))
 ASSI { 3444}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HA  ))
      3.300     1.400     1.400 peak  3444 spectrum    1 weight   .10000E+01 volume   .16442E-02 ppm1      1.517 ppm2      4.035 CV     1
 ASSI { 3445}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HA  ))
      2.700      .900      .900 peak  3445 spectrum    1 weight   .10000E+01 volume   .24104E-02 ppm1      1.708 ppm2      4.024 CV     1
 ASSI { 3454}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG12))
      2.900     1.100     1.100 peak  3454 spectrum    1 weight   .10000E+01 volume   .16052E-02 ppm1      3.547 ppm2      1.585 CV     1
 ASSI { 3459}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 96   and name HA  ))
      3.400     1.400     1.400 peak  3459 spectrum    1 weight   .10000E+01 volume   .80261E-03 ppm1      1.753 ppm2      3.569 CV     1
 ASSI { 3460}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     1.000     1.000 peak  3460 spectrum    1 weight   .10000E+01 volume   .23170E-02 ppm1      4.101 ppm2      7.793 CV     1
 ASSI { 3464}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HD1 ))
      3.000     1.100     1.100 peak  3464 spectrum    1 weight   .10000E+01 volume   .48105E-02 ppm1      4.133 ppm2      1.708 CV     1
 OR { 3464}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HD2 ))
 ASSI { 3465}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG1 ))
      2.400      .700      .700 peak  3465 spectrum    1 weight   .10000E+01 volume   .34417E-02 ppm1      4.133 ppm2      1.516 CV     1
 ASSI { 3466}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.900     1.100     1.100 peak  3466 spectrum    1 weight   .10000E+01 volume   .14468E-02 ppm1      2.775 ppm2      4.146 CV     1
 ASSI { 3467}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500      .800      .800 peak  3467 spectrum    1 weight   .10000E+01 volume   .37923E-02 ppm1      4.133 ppm2      8.111 CV     1
 ASSI { 3468}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 98   and name HA  ))
      3.300     1.400     1.400 peak  3468 spectrum    1 weight   .10000E+01 volume   .11871E-02 ppm1      2.700 ppm2      4.160 CV     1
 ASSI { 3472}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HE2 ))
      3.500     1.600     1.600 peak  3472 spectrum    1 weight   .10000E+01 volume   .13611E-02 ppm1      1.960 ppm2      2.983 CV     1
 OR { 3472}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HE1 ))
 OR { 3472}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HE2 ))
 OR { 3472}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HE1 ))
 ASSI { 3475}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  3475 spectrum    1 weight   .10000E+01 volume   .42079E-03 ppm1      1.690 ppm2      7.793 CV     1
 OR { 3475}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 3476}
   (( segid "    " and resid 98   and name HE1 ))
   (( segid "    " and resid 98   and name HG1 ))
      2.500      .800      .800 peak  3476 spectrum    1 weight   .10000E+01 volume   .48780E-02 ppm1      2.962 ppm2      1.504 CV     1
 OR { 3476}
   (( segid "    " and resid 98   and name HE2 ))
   (( segid "    " and resid 98   and name HG1 ))
 ASSI { 3479}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.700      .900      .900 peak  3479 spectrum    1 weight   .10000E+01 volume   .36572E-02 ppm1      4.216 ppm2      2.854 CV     1
 ASSI { 3480}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.600      .800      .800 peak  3480 spectrum    1 weight   .10000E+01 volume   .34209E-02 ppm1      4.217 ppm2      3.049 CV     1
 ASSI { 3481}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.700      .900      .900 peak  3481 spectrum    1 weight   .10000E+01 volume   .24572E-02 ppm1      3.688 ppm2      3.043 CV     1
 ASSI { 3483}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.200     1.200     1.200 peak  3483 spectrum    1 weight   .10000E+01 volume   .14572E-02 ppm1      3.688 ppm2      2.855 CV     1
 ASSI { 3484}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HB2 ))
      1.800      .400      .400 peak  3484 spectrum    1 weight   .10000E+01 volume   .10237E-01 ppm1      2.834 ppm2      3.043 CV     1
 ASSI { 3486}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 94   and name HG2%)
      4.000     2.000     2.000 peak  3486 spectrum    1 weight   .10000E+01 volume   .61300E-03 ppm1      3.035 ppm2       .939 CV     1
 ASSI { 3490}
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 94   and name HG2%)
      3.700     1.700     1.700 peak  3490 spectrum    1 weight   .10000E+01 volume   .57143E-03 ppm1      2.834 ppm2       .926 CV     1
 ASSI { 3493}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  3493 spectrum    1 weight   .10000E+01 volume   .19065E-02 ppm1      1.745 ppm2      3.808 CV     1
 ASSI { 3498}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700      .900      .900 peak  3498 spectrum    1 weight   .10000E+01 volume   .27066E-02 ppm1      3.790 ppm2      8.275 CV     1
 ASSI { 3499}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 96   and name HG12))
      3.100     1.200     1.200 peak  3499 spectrum    1 weight   .10000E+01 volume   .17481E-02 ppm1      1.742 ppm2      1.579 CV     1
 ASSI { 3507}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700      .900      .900 peak  3507 spectrum    1 weight   .10000E+01 volume   .28572E-02 ppm1      4.082 ppm2      8.585 CV     1
 ASSI { 3515}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3515 spectrum    1 weight   .10000E+01 volume   .22546E-02 ppm1      3.690 ppm2      8.448 CV     1
 ASSI { 3517}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG11))
      2.600      .800      .800 peak  3517 spectrum    1 weight   .10000E+01 volume   .38884E-02 ppm1      3.688 ppm2      1.165 CV     1
 ASSI { 3519}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 91   and name HA  ))
      2.700      .900      .900 peak  3519 spectrum    1 weight   .10000E+01 volume   .20624E-02 ppm1      2.009 ppm2      3.933 CV     1
 ASSI { 3522}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.400      .700      .700 peak  3522 spectrum    1 weight   .10000E+01 volume   .44651E-02 ppm1      4.371 ppm2      2.789 CV     1
 ASSI { 3523}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.600      .800      .800 peak  3523 spectrum    1 weight   .10000E+01 volume   .39560E-02 ppm1      4.369 ppm2      2.955 CV     1
 ASSI { 3526}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800      .900      .900 peak  3526 spectrum    1 weight   .10000E+01 volume   .23611E-02 ppm1      3.642 ppm2      8.399 CV     1
 ASSI { 3528}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  3528 spectrum    1 weight   .10000E+01 volume   .13429E-02 ppm1      3.645 ppm2      6.721 CV     1
 ASSI { 3531}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.600      .900      .900 peak  3531 spectrum    1 weight   .10000E+01 volume   .33248E-02 ppm1      3.642 ppm2      2.071 CV     1
 OR { 3531}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 3533}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG12))
      2.700      .900      .900 peak  3533 spectrum    1 weight   .10000E+01 volume   .24572E-02 ppm1      3.643 ppm2      1.645 CV     1
 ASSI { 3535}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG11))
      2.500      .800      .800 peak  3535 spectrum    1 weight   .10000E+01 volume   .38339E-02 ppm1      3.642 ppm2      1.102 CV     1
 ASSI { 3542}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 93   and name HA  ))
      3.300     1.400     1.400 peak  3542 spectrum    1 weight   .10000E+01 volume   .13273E-02 ppm1      1.448 ppm2      3.806 CV     1
 ASSI { 3544}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HE2 ))
      4.300     2.300     1.700 peak  3544 spectrum    1 weight   .10000E+01 volume   .60260E-03 ppm1      3.788 ppm2      3.015 CV     1
 ASSI { 3547}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HE1 ))
      4.300     2.300     1.700 peak  3547 spectrum    1 weight   .10000E+01 volume   .54288E-03 ppm1      3.795 ppm2      2.924 CV     1
 ASSI { 3549}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.000     1.100     1.100 peak  3549 spectrum    1 weight   .10000E+01 volume   .12883E-02 ppm1      3.792 ppm2      8.701 CV     1
 ASSI { 3553}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HE1 ))
      2.900     1.000     1.000 peak  3553 spectrum    1 weight   .10000E+01 volume   .20520E-02 ppm1      1.454 ppm2      2.924 CV     1
 OR { 3553}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 93   and name HE1 ))
 ASSI { 3557}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.700      .900      .900 peak  3557 spectrum    1 weight   .10000E+01 volume   .24598E-02 ppm1      4.042 ppm2      3.253 CV     1
 ASSI { 3558}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak  3558 spectrum    1 weight   .10000E+01 volume   .12805E-02 ppm1      3.137 ppm2      4.060 CV     1
 ASSI { 3561}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 48   and name HD2%)
      3.100     1.200     1.200 peak  3561 spectrum    1 weight   .10000E+01 volume   .12650E-02 ppm1      3.257 ppm2       .686 CV     1
 ASSI { 3565}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak  3565 spectrum    1 weight   .10000E+01 volume   .12935E-02 ppm1      1.359 ppm2      7.210 CV     1
 ASSI { 3566}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
      2.500      .800      .800 peak  3566 spectrum    1 weight   .10000E+01 volume   .41274E-02 ppm1      1.361 ppm2      1.878 CV     1
 OR { 3566}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 3569}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HN  ))
      2.400      .700      .700 peak  3569 spectrum    1 weight   .10000E+01 volume   .40390E-02 ppm1      1.906 ppm2      8.393 CV     1
 ASSI { 3578}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 89   and name HB% )
      4.100     2.100     1.900 peak  3578 spectrum    1 weight   .10000E+01 volume   .86756E-03 ppm1      1.907 ppm2      1.377 CV     1
 ASSI { 3581}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.600     1.600     1.600 peak  3581 spectrum    1 weight   .10000E+01 volume   .17066E-02 ppm1      3.073 ppm2      1.687 CV     1
 ASSI { 3582}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.900     1.900     1.900 peak  3582 spectrum    1 weight   .10000E+01 volume   .88314E-03 ppm1      3.075 ppm2      1.844 CV     1
 ASSI { 3584}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
      3.100     1.200     1.200 peak  3584 spectrum    1 weight   .10000E+01 volume   .19403E-02 ppm1      1.684 ppm2      1.471 CV     1
 OR { 3584}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD2 ))
 ASSI { 3589}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
      2.700      .900      .900 peak  3589 spectrum    1 weight   .10000E+01 volume   .29118E-02 ppm1      4.369 ppm2      1.908 CV     1
 ASSI { 3590}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HN  ))
      4.200     2.200     1.800 peak  3590 spectrum    1 weight   .10000E+01 volume   .64156E-03 ppm1      1.439 ppm2      7.850 CV     1
 OR { 3590}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 3591}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      4.300     2.300     1.700 peak  3591 spectrum    1 weight   .10000E+01 volume   .89354E-03 ppm1      2.945 ppm2      1.694 CV     1
 ASSI { 3593}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      4.200     2.200     1.800 peak  3593 spectrum    1 weight   .10000E+01 volume   .96628E-03 ppm1      2.787 ppm2      1.687 CV     1
 ASSI { 3601}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 89   and name HB% )
      2.300      .700      .700 peak  3601 spectrum    1 weight   .10000E+01 volume   .55220E-02 ppm1      3.928 ppm2      1.391 CV     1
 ASSI { 3603}
   (( segid "    " and resid 86   and name HG  ))
   (( segid "    " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak  3603 spectrum    1 weight   .10000E+01 volume   .13351E-02 ppm1      1.680 ppm2      8.355 CV     1
 ASSI { 3605}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  3605 spectrum    1 weight   .10000E+01 volume   .13065E-02 ppm1       .860 ppm2      8.355 CV     1
 ASSI { 3606}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 87   and name HN  ))
      4.100     2.100     1.900 peak  3606 spectrum    1 weight   .10000E+01 volume   .87796E-03 ppm1       .860 ppm2      8.111 CV     1
 ASSI { 3609}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  3609 spectrum    1 weight   .10000E+01 volume   .29326E-02 ppm1       .860 ppm2      3.953 CV     1
 ASSI { 3611}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HG  ))
      1.900      .500      .500 peak  3611 spectrum    1 weight   .10000E+01 volume   .17385E-01 ppm1       .860 ppm2      1.696 CV     1
 ASSI { 3615}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.000     1.100     1.100 peak  3615 spectrum    1 weight   .10000E+01 volume   .18702E-02 ppm1      2.673 ppm2      1.683 CV     1
 ASSI { 3617}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  3617 spectrum    1 weight   .10000E+01 volume   .10987E-02 ppm1      2.672 ppm2      1.843 CV     1
 ASSI { 3627}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.400      .700      .700 peak  3627 spectrum    1 weight   .10000E+01 volume   .70108E-02 ppm1      4.426 ppm2      8.120 CV     1
 ASSI { 3629}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600      .800      .800 peak  3629 spectrum    1 weight   .10000E+01 volume   .42702E-02 ppm1      4.402 ppm2      2.906 CV     1
 ASSI { 3632}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700      .900      .900 peak  3632 spectrum    1 weight   .10000E+01 volume   .33949E-02 ppm1      4.446 ppm2      2.947 CV     1
 ASSI { 3635}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  3635 spectrum    1 weight   .10000E+01 volume   .92210E-03 ppm1      3.221 ppm2      3.574 CV     1
 ASSI { 3637}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.000      .500      .500 peak  3637 spectrum    1 weight   .10000E+01 volume   .54806E-02 ppm1      2.919 ppm2      3.235 CV     1
 ASSI { 3642}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600      .900      .900 peak  3642 spectrum    1 weight   .10000E+01 volume   .40365E-02 ppm1      4.330 ppm2      2.650 CV     1
 ASSI { 3644}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      2.900     1.000     1.000 peak  3644 spectrum    1 weight   .10000E+01 volume   .13974E-02 ppm1      3.220 ppm2      1.684 CV     1
 ASSI { 3648}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     3.000     3.000 peak  3648 spectrum    1 weight   .10000E+01 volume   .64935E-03 ppm1      2.919 ppm2      1.916 CV     1
 ASSI { 3650}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700      .900      .900 peak  3650 spectrum    1 weight   .10000E+01 volume   .39170E-02 ppm1      3.562 ppm2      1.913 CV     1
 ASSI { 3659}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.400     2.400     1.600 peak  3659 spectrum    1 weight   .10000E+01 volume   .60260E-03 ppm1      1.887 ppm2      8.903 CV     1
 ASSI { 3668}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      2.700      .900      .900 peak  3668 spectrum    1 weight   .10000E+01 volume   .30494E-02 ppm1      4.070 ppm2      3.309 CV     1
 ASSI { 3670}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak  3670 spectrum    1 weight   .10000E+01 volume   .13455E-02 ppm1      1.956 ppm2      8.270 CV     1
 ASSI { 3672}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.100     1.100 peak  3672 spectrum    1 weight   .10000E+01 volume   .12026E-02 ppm1      1.368 ppm2      8.274 CV     1
 ASSI { 3676}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 81   and name HD2%)
      2.800     1.000     1.000 peak  3676 spectrum    1 weight   .10000E+01 volume   .37352E-02 ppm1      1.956 ppm2       .894 CV     1
 ASSI { 3679}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HD2%)
      2.400      .700      .700 peak  3679 spectrum    1 weight   .10000E+01 volume   .81065E-02 ppm1      4.091 ppm2       .926 CV     1
 ASSI { 3681}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.900     1.000     1.000 peak  3681 spectrum    1 weight   .10000E+01 volume   .18001E-02 ppm1      4.096 ppm2      1.390 CV     1
 ASSI { 3687}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
      2.000      .500      .500 peak  3687 spectrum    1 weight   .10000E+01 volume   .54130E-02 ppm1      2.819 ppm2      3.446 CV     1
 ASSI { 3693}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak  3693 spectrum    1 weight   .10000E+01 volume   .22001E-02 ppm1      4.418 ppm2      3.087 CV     1
 ASSI { 3698}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700      .900      .900 peak  3698 spectrum    1 weight   .10000E+01 volume   .18208E-02 ppm1      2.174 ppm2      8.828 CV     1
 ASSI { 3702}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HE21))
      3.100     1.200     1.200 peak  3702 spectrum    1 weight   .10000E+01 volume   .97925E-03 ppm1      2.422 ppm2      6.706 CV     1
 ASSI { 3705}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HE22))
      3.600     1.700     1.700 peak  3705 spectrum    1 weight   .10000E+01 volume   .15247E-02 ppm1      2.423 ppm2      7.675 CV     1
 ASSI { 3706}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.400     1.600 peak  3706 spectrum    1 weight   .10000E+01 volume   .49352E-03 ppm1      2.422 ppm2      8.820 CV     1
 ASSI { 3714}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.900      .500      .500 peak  3714 spectrum    1 weight   .10000E+01 volume   .64728E-02 ppm1      1.878 ppm2      1.571 CV     1
 ASSI { 3718}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak  3718 spectrum    1 weight   .10000E+01 volume   .46754E-03 ppm1      2.766 ppm2      9.274 CV     1
 ASSI { 3720}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak  3720 spectrum    1 weight   .10000E+01 volume   .48573E-03 ppm1      2.032 ppm2      4.488 CV     1
 ASSI { 3724}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  3724 spectrum    1 weight   .10000E+01 volume   .34624E-02 ppm1       .840 ppm2      7.205 CV     1
 ASSI { 3725}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  3725 spectrum    1 weight   .10000E+01 volume   .15741E-02 ppm1       .839 ppm2      4.486 CV     1
 ASSI { 3727}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 73   and name HG  ))
      2.200      .600      .600 peak  3727 spectrum    1 weight   .10000E+01 volume   .87249E-02 ppm1       .841 ppm2      2.047 CV     1
 ASSI { 3728}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 73   and name HB1 ))
      2.300      .700      .700 peak  3728 spectrum    1 weight   .10000E+01 volume   .54130E-02 ppm1       .840 ppm2      1.389 CV     1
 ASSI { 3729}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak  3729 spectrum    1 weight   .10000E+01 volume   .99745E-03 ppm1      2.160 ppm2      7.384 CV     1
 ASSI { 3732}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  3732 spectrum    1 weight   .10000E+01 volume   .96628E-03 ppm1      2.322 ppm2      7.375 CV     1
 ASSI { 3734}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  3734 spectrum    1 weight   .10000E+01 volume   .80522E-03 ppm1      2.302 ppm2      7.367 CV     1
 ASSI { 3735}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.700      .900      .900 peak  3735 spectrum    1 weight   .10000E+01 volume   .33014E-02 ppm1      2.284 ppm2      4.311 CV     1
 ASSI { 3757}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.300     1.300 peak  3757 spectrum    1 weight   .10000E+01 volume   .30624E-02 ppm1      3.550 ppm2      1.754 CV     1
 ASSI { 3760}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB1 ))
      3.900     1.900     1.900 peak  3760 spectrum    1 weight   .10000E+01 volume   .10987E-02 ppm1      3.544 ppm2      1.134 CV     1
 ASSI { 3761}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.600      .900      .900 peak  3761 spectrum    1 weight   .10000E+01 volume   .17221E-02 ppm1      3.441 ppm2      1.514 CV     1
 ASSI { 3763}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak  3763 spectrum    1 weight   .10000E+01 volume   .36936E-02 ppm1      3.440 ppm2      1.761 CV     1
 ASSI { 3768}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak  3768 spectrum    1 weight   .10000E+01 volume   .10390E-02 ppm1      3.442 ppm2      1.135 CV     1
 ASSI { 3772}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  3772 spectrum    1 weight   .10000E+01 volume   .17611E-02 ppm1      3.440 ppm2      7.466 CV     1
 ASSI { 3775}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  3775 spectrum    1 weight   .10000E+01 volume   .15169E-02 ppm1       .769 ppm2      7.475 CV     1
 ASSI { 3776}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.800     1.800 peak  3776 spectrum    1 weight   .10000E+01 volume   .10858E-02 ppm1       .750 ppm2      7.479 CV     1
 ASSI { 3777}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  3777 spectrum    1 weight   .10000E+01 volume   .12364E-02 ppm1      3.995 ppm2      7.475 CV     1
 ASSI { 3780}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak  3780 spectrum    1 weight   .10000E+01 volume   .14442E-02 ppm1      1.788 ppm2      1.137 CV     1
 ASSI { 3783}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 96   and name HD1%)
      2.800     1.000     1.000 peak  3783 spectrum    1 weight   .10000E+01 volume   .40417E-02 ppm1       .767 ppm2       .263 CV     1
 ASSI { 3785}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  3785 spectrum    1 weight   .10000E+01 volume   .12779E-02 ppm1       .752 ppm2      4.029 CV     1
 ASSI { 3789}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  3789 spectrum    1 weight   .10000E+01 volume   .19143E-02 ppm1      1.620 ppm2      7.542 CV     1
 ASSI { 3790}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700      .900      .900 peak  3790 spectrum    1 weight   .10000E+01 volume   .25923E-02 ppm1      4.335 ppm2      7.539 CV     1
 ASSI { 3792}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500      .800      .800 peak  3792 spectrum    1 weight   .10000E+01 volume   .52779E-02 ppm1      4.333 ppm2      1.646 CV     1
 ASSI { 3795}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      2.200      .600      .600 peak  3795 spectrum    1 weight   .10000E+01 volume   .13021E-01 ppm1       .894 ppm2      4.353 CV     1
 ASSI { 3796}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  3796 spectrum    1 weight   .10000E+01 volume   .18260E-02 ppm1       .894 ppm2      7.542 CV     1
 ASSI { 3798}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      2.500      .800      .800 peak  3798 spectrum    1 weight   .10000E+01 volume   .41845E-02 ppm1      1.873 ppm2       .912 CV     1
 ASSI { 3800}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
      2.500      .800      .800 peak  3800 spectrum    1 weight   .10000E+01 volume   .37326E-02 ppm1      1.619 ppm2      1.086 CV     1
 ASSI { 3801}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.300     1.300 peak  3801 spectrum    1 weight   .10000E+01 volume   .18286E-02 ppm1      1.710 ppm2      7.547 CV     1
 ASSI { 3802}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak  3802 spectrum    1 weight   .10000E+01 volume   .18962E-02 ppm1      1.705 ppm2      4.346 CV     1
 ASSI { 3803}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HD2 ))
      2.800     1.000     1.000 peak  3803 spectrum    1 weight   .10000E+01 volume   .33871E-02 ppm1      1.704 ppm2      3.081 CV     1
 ASSI { 3805}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.400     1.500     1.500 peak  3805 spectrum    1 weight   .10000E+01 volume   .96105E-03 ppm1      4.371 ppm2      3.460 CV     1
 ASSI { 3808}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      2.600      .800      .800 peak  3808 spectrum    1 weight   .10000E+01 volume   .30728E-02 ppm1      1.330 ppm2      8.227 CV     1
 ASSI { 3813}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB  ))
      2.700      .900      .900 peak  3813 spectrum    1 weight   .10000E+01 volume   .22312E-02 ppm1      4.245 ppm2      2.677 CV     1
 ASSI { 3823}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.600     1.600 peak  3823 spectrum    1 weight   .10000E+01 volume   .23274E-02 ppm1       .894 ppm2      7.753 CV     1
 ASSI { 3826}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  3826 spectrum    1 weight   .10000E+01 volume   .15221E-02 ppm1      2.199 ppm2      3.995 CV     1
 ASSI { 3830}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HG12))
      3.100     1.200     1.200 peak  3830 spectrum    1 weight   .10000E+01 volume   .13299E-02 ppm1      2.201 ppm2      1.589 CV     1
 ASSI { 3837}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 65   and name HG12))
      3.600     1.600     1.600 peak  3837 spectrum    1 weight   .10000E+01 volume   .12910E-02 ppm1      2.896 ppm2      1.585 CV     1
 ASSI { 3838}
   (( segid "    " and resid 65   and name HG12))
   (( segid "    " and resid 65   and name HA  ))
      2.700      .900      .900 peak  3838 spectrum    1 weight   .10000E+01 volume   .25092E-02 ppm1      1.580 ppm2      3.985 CV     1
 ASSI { 3839}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 65   and name HG11))
      3.200     1.300     1.300 peak  3839 spectrum    1 weight   .10000E+01 volume   .12208E-02 ppm1      2.898 ppm2      1.447 CV     1
 ASSI { 3840}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 65   and name HG12))
      3.400     1.400     1.400 peak  3840 spectrum    1 weight   .10000E+01 volume   .99745E-03 ppm1      2.532 ppm2      1.585 CV     1
 ASSI { 3843}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.200      .600      .600 peak  3843 spectrum    1 weight   .10000E+01 volume   .93378E-02 ppm1       .893 ppm2      3.993 CV     1
 ASSI { 3847}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
      2.200      .600      .600 peak  3847 spectrum    1 weight   .10000E+01 volume   .92599E-02 ppm1       .892 ppm2      2.219 CV     1
 ASSI { 3851}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600      .900      .900 peak  3851 spectrum    1 weight   .10000E+01 volume   .33066E-02 ppm1      2.473 ppm2      4.286 CV     1
 ASSI { 3852}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak  3852 spectrum    1 weight   .10000E+01 volume   .27014E-02 ppm1      3.063 ppm2      4.282 CV     1
 ASSI { 3855}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak  3855 spectrum    1 weight   .10000E+01 volume   .91692E-03 ppm1      2.139 ppm2      7.555 CV     1
 ASSI { 3856}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.600      .900      .900 peak  3856 spectrum    1 weight   .10000E+01 volume   .22235E-02 ppm1      2.900 ppm2      7.587 CV     1
 ASSI { 3857}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  3857 spectrum    1 weight   .10000E+01 volume   .97664E-03 ppm1      2.031 ppm2      7.574 CV     1
 ASSI { 3859}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HD21))
      3.200     1.300     1.300 peak  3859 spectrum    1 weight   .10000E+01 volume   .96105E-03 ppm1      2.531 ppm2      7.342 CV     1
 ASSI { 3860}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HD21))
      3.100     1.200     1.200 peak  3860 spectrum    1 weight   .10000E+01 volume   .87273E-03 ppm1      2.895 ppm2      7.327 CV     1
 ASSI { 3864}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak  3864 spectrum    1 weight   .10000E+01 volume   .13195E-02 ppm1      2.471 ppm2      8.617 CV     1
 ASSI { 3867}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  3867 spectrum    1 weight   .10000E+01 volume   .16702E-02 ppm1      2.030 ppm2      8.611 CV     1
 ASSI { 3869}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  3869 spectrum    1 weight   .10000E+01 volume   .26338E-02 ppm1      2.468 ppm2      4.060 CV     1
 ASSI { 3871}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
      3.000     1.100     1.100 peak  3871 spectrum    1 weight   .10000E+01 volume   .27975E-02 ppm1      2.140 ppm2      2.487 CV     1
 ASSI { 3872}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HG2 ))
      2.600      .800      .800 peak  3872 spectrum    1 weight   .10000E+01 volume   .32832E-02 ppm1      2.031 ppm2      2.488 CV     1
 ASSI { 3874}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HN  ))
      4.300     2.300     1.700 peak  3874 spectrum    1 weight   .10000E+01 volume   .63120E-03 ppm1      1.578 ppm2      7.450 CV     1
 ASSI { 3883}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      3.500     1.600     1.600 peak  3883 spectrum    1 weight   .10000E+01 volume   .19377E-02 ppm1      1.004 ppm2      3.315 CV     1
 ASSI { 3886}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.700      .900      .900 peak  3886 spectrum    1 weight   .10000E+01 volume   .15663E-02 ppm1      3.816 ppm2      2.049 CV     1
 ASSI { 3892}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
      2.500      .800      .800 peak  3892 spectrum    1 weight   .10000E+01 volume   .43794E-02 ppm1      4.083 ppm2      3.222 CV     1
 OR { 3892}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 3893}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600      .800      .800 peak  3893 spectrum    1 weight   .10000E+01 volume   .41534E-02 ppm1      4.085 ppm2      2.331 CV     1
 ASSI { 3894}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700      .900      .900 peak  3894 spectrum    1 weight   .10000E+01 volume   .30962E-02 ppm1      1.844 ppm2      4.083 CV     1
 ASSI { 3898}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.400      .700      .700 peak  3898 spectrum    1 weight   .10000E+01 volume   .56497E-02 ppm1      4.234 ppm2      2.168 CV     1
 OR { 3898}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI { 3899}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HB1 ))
      3.400     1.400     1.400 peak  3899 spectrum    1 weight   .10000E+01 volume   .70132E-03 ppm1      3.220 ppm2      2.139 CV     1
 ASSI { 3902}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  3902 spectrum    1 weight   .10000E+01 volume   .13507E-02 ppm1      3.818 ppm2      3.233 CV     1
 ASSI { 3907}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.100     1.200     1.200 peak  3907 spectrum    1 weight   .10000E+01 volume   .10442E-02 ppm1      3.001 ppm2      7.113 CV     1
 ASSI { 3909}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.800     1.800     1.800 peak  3909 spectrum    1 weight   .10000E+01 volume   .74807E-03 ppm1      3.808 ppm2      1.389 CV     1
 ASSI { 3912}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.700      .900      .900 peak  3912 spectrum    1 weight   .10000E+01 volume   .22079E-02 ppm1      2.996 ppm2      3.842 CV     1
 ASSI { 3916}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
      3.600     1.600     1.600 peak  3916 spectrum    1 weight   .10000E+01 volume   .13091E-02 ppm1      2.995 ppm2       .926 CV     1
 ASSI { 3917}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak  3917 spectrum    1 weight   .10000E+01 volume   .46754E-03 ppm1      3.658 ppm2      8.945 CV     1
 ASSI { 3918}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  3918 spectrum    1 weight   .10000E+01 volume   .10104E-02 ppm1      1.986 ppm2      8.952 CV     1
 ASSI { 3921}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.100     1.200     1.200 peak  3921 spectrum    1 weight   .10000E+01 volume   .20390E-02 ppm1      4.324 ppm2      1.344 CV     1
 ASSI { 3922}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak  3922 spectrum    1 weight   .10000E+01 volume   .91948E-03 ppm1      4.320 ppm2      8.960 CV     1
 ASSI { 3927}
   (( segid "    " and resid 56   and name HG  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak  3927 spectrum    1 weight   .10000E+01 volume   .13455E-02 ppm1      1.207 ppm2      1.729 CV     1
 ASSI { 3929}
   (( segid "    " and resid 56   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  3929 spectrum    1 weight   .10000E+01 volume   .59224E-03 ppm1      1.210 ppm2      4.331 CV     1
 ASSI { 3932}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  3932 spectrum    1 weight   .10000E+01 volume   .11247E-02 ppm1      4.233 ppm2      7.619 CV     1
 ASSI { 3933}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak  3933 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1      2.366 ppm2      8.960 CV     1
 ASSI { 3942}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.000      .500      .500 peak  3942 spectrum    1 weight   .10000E+01 volume   .54910E-02 ppm1      2.726 ppm2      3.119 CV     1
 ASSI { 3945}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 50   and name HB  ))
      2.800     1.000     1.000 peak  3945 spectrum    1 weight   .10000E+01 volume   .15689E-02 ppm1      3.094 ppm2      2.284 CV     1
 ASSI { 3948}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 54   and name HB1 ))
      4.300     2.300     1.700 peak  3948 spectrum    1 weight   .10000E+01 volume   .67272E-03 ppm1      2.290 ppm2      2.736 CV     1
 ASSI { 3949}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak  3949 spectrum    1 weight   .10000E+01 volume   .10052E-02 ppm1      1.872 ppm2      7.012 CV     1
 ASSI { 3950}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.700      .900      .900 peak  3950 spectrum    1 weight   .10000E+01 volume   .27637E-02 ppm1      2.217 ppm2      4.495 CV     1
 ASSI { 3951}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  3951 spectrum    1 weight   .10000E+01 volume   .20390E-02 ppm1      4.128 ppm2      7.011 CV     1
 ASSI { 3952}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  3952 spectrum    1 weight   .10000E+01 volume   .12078E-02 ppm1      4.128 ppm2      7.765 CV     1
 ASSI { 3953}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      2.300      .700      .700 peak  3953 spectrum    1 weight   .10000E+01 volume   .67662E-02 ppm1      4.127 ppm2      4.545 CV     1
 ASSI { 3956}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  3956 spectrum    1 weight   .10000E+01 volume   .11897E-02 ppm1      3.987 ppm2      9.135 CV     1
 ASSI { 3957}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.600      .800      .800 peak  3957 spectrum    1 weight   .10000E+01 volume   .26078E-02 ppm1      1.871 ppm2      4.500 CV     1
 ASSI { 3958}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak  3958 spectrum    1 weight   .10000E+01 volume   .72208E-03 ppm1      2.725 ppm2      8.433 CV     1
 ASSI { 3959}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  3959 spectrum    1 weight   .10000E+01 volume   .22026E-02 ppm1      1.870 ppm2      8.436 CV     1
 ASSI { 3961}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  3961 spectrum    1 weight   .10000E+01 volume   .13091E-02 ppm1      2.215 ppm2      8.434 CV     1
 ASSI { 3968}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     2.700     1.400 peak  3968 spectrum    1 weight   .10000E+01 volume   .67534E-03 ppm1      2.361 ppm2      9.129 CV     1
 ASSI { 3969}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.300      .700      .700 peak  3969 spectrum    1 weight   .10000E+01 volume   .47248E-02 ppm1      2.357 ppm2      1.890 CV     1
 ASSI { 3971}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  3971 spectrum    1 weight   .10000E+01 volume   .18468E-02 ppm1       .737 ppm2      8.436 CV     1
 ASSI { 3972}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.100     1.100 peak  3972 spectrum    1 weight   .10000E+01 volume   .16130E-02 ppm1       .737 ppm2      6.722 CV     1
 ASSI { 3973}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      2.600      .800      .800 peak  3973 spectrum    1 weight   .10000E+01 volume   .65014E-02 ppm1       .737 ppm2      4.625 CV     1
 ASSI { 3974}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 88   and name HE1 ))
      2.600     2.600     3.400 peak  3974 spectrum    1 weight   .10000E+01 volume   .15559E-02 ppm1       .738 ppm2      2.812 CV     1
 ASSI { 3975}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 88   and name HE2 ))
      2.700     2.700     3.300 peak  3975 spectrum    1 weight   .10000E+01 volume   .13818E-02 ppm1       .737 ppm2      2.933 CV     1
 ASSI { 3982}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 56   and name HD1%)
      3.100     1.200     1.200 peak  3982 spectrum    1 weight   .10000E+01 volume   .18780E-02 ppm1       .735 ppm2       .275 CV     1
 ASSI { 3983}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak  3983 spectrum    1 weight   .10000E+01 volume   .22520E-02 ppm1      4.041 ppm2      6.723 CV     1
 ASSI { 3985}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  3985 spectrum    1 weight   .10000E+01 volume   .16078E-02 ppm1      4.180 ppm2      8.315 CV     1
 ASSI { 3986}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  3986 spectrum    1 weight   .10000E+01 volume   .10676E-02 ppm1      1.542 ppm2      8.319 CV     1
 ASSI { 3987}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak  3987 spectrum    1 weight   .10000E+01 volume   .95070E-03 ppm1      4.184 ppm2      7.248 CV     1
 ASSI { 3989}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      2.500      .800      .800 peak  3989 spectrum    1 weight   .10000E+01 volume   .42105E-02 ppm1      1.557 ppm2      4.205 CV     1
 OR { 3989}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 3993}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      2.700      .900      .900 peak  3993 spectrum    1 weight   .10000E+01 volume   .22728E-02 ppm1      1.559 ppm2      8.322 CV     1
 OR { 3993}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 3995}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak  3995 spectrum    1 weight   .10000E+01 volume   .12390E-02 ppm1      3.430 ppm2      1.571 CV     1
 OR { 3995}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 3999}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak  3999 spectrum    1 weight   .10000E+01 volume   .16753E-02 ppm1      1.547 ppm2      4.205 CV     1
 ASSI { 4008}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200      .600      .600 peak  4008 spectrum    1 weight   .10000E+01 volume   .12455E-01 ppm1      4.206 ppm2      3.934 CV     1
 OR { 4008}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 4011}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 45   and name HN  ))
      2.700      .900      .900 peak  4011 spectrum    1 weight   .10000E+01 volume   .13611E-02 ppm1       .812 ppm2      8.584 CV     1
 ASSI { 4017}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.600      .800      .800 peak  4017 spectrum    1 weight   .10000E+01 volume   .29507E-02 ppm1      3.794 ppm2      1.834 CV     1
 ASSI { 4018}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG12))
      3.000     1.100     1.100 peak  4018 spectrum    1 weight   .10000E+01 volume   .21455E-02 ppm1      1.814 ppm2      1.653 CV     1
 ASSI { 4022}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 45   and name HB  ))
      2.700      .900      .900 peak  4022 spectrum    1 weight   .10000E+01 volume   .18286E-02 ppm1       .813 ppm2      1.843 CV     1
 ASSI { 4026}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 45   and name HG12))
      2.000      .500      .500 peak  4026 spectrum    1 weight   .10000E+01 volume   .46936E-02 ppm1       .813 ppm2      1.653 CV     1
 ASSI { 4038}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  4038 spectrum    1 weight   .10000E+01 volume   .53509E-03 ppm1      3.782 ppm2      9.006 CV     1
 ASSI { 4042}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak  4042 spectrum    1 weight   .10000E+01 volume   .16130E-02 ppm1      3.430 ppm2      3.124 CV     1
 ASSI { 4043}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      2.900     1.100     1.100 peak  4043 spectrum    1 weight   .10000E+01 volume   .17507E-02 ppm1      3.431 ppm2      2.630 CV     1
 ASSI { 4044}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 48   and name HD2%)
      3.500     1.500     1.500 peak  4044 spectrum    1 weight   .10000E+01 volume   .11455E-02 ppm1      3.431 ppm2       .713 CV     1
 ASSI { 4047}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  4047 spectrum    1 weight   .10000E+01 volume   .10727E-02 ppm1      3.099 ppm2      8.583 CV     1
 ASSI { 4049}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HB2 ))
      1.800      .400      .400 peak  4049 spectrum    1 weight   .10000E+01 volume   .10135E-01 ppm1      2.609 ppm2      3.122 CV     1
 ASSI { 4051}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak  4051 spectrum    1 weight   .10000E+01 volume   .17637E-02 ppm1      2.609 ppm2      3.627 CV     1
 ASSI { 4052}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700      .900      .900 peak  4052 spectrum    1 weight   .10000E+01 volume   .17351E-02 ppm1      3.103 ppm2      3.628 CV     1
 ASSI { 4067}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      2.200      .600      .600 peak  4067 spectrum    1 weight   .10000E+01 volume   .29715E-02 ppm1      3.546 ppm2      2.856 CV     1
 ASSI { 4068}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  4068 spectrum    1 weight   .10000E+01 volume   .14935E-02 ppm1      3.794 ppm2      8.556 CV     1
 ASSI { 4073}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      3.100     1.200     1.200 peak  4073 spectrum    1 weight   .10000E+01 volume   .15013E-02 ppm1      3.786 ppm2      2.753 CV     1
 ASSI { 4074}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600      .800      .800 peak  4074 spectrum    1 weight   .10000E+01 volume   .33741E-02 ppm1      4.213 ppm2      8.310 CV     1
 ASSI { 4075}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700      .900      .900 peak  4075 spectrum    1 weight   .10000E+01 volume   .19793E-02 ppm1      4.212 ppm2      8.123 CV     1
 ASSI { 4077}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      2.300      .600      .600 peak  4077 spectrum    1 weight   .10000E+01 volume   .74832E-02 ppm1      4.213 ppm2      1.194 CV     1
 ASSI { 4078}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  4078 spectrum    1 weight   .10000E+01 volume   .13169E-02 ppm1      4.336 ppm2      8.538 CV     1
 ASSI { 4080}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak  4080 spectrum    1 weight   .10000E+01 volume   .82599E-03 ppm1      1.247 ppm2      8.531 CV     1
 ASSI { 4085}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG12))
      2.700      .900      .900 peak  4085 spectrum    1 weight   .10000E+01 volume   .27689E-02 ppm1      3.612 ppm2      1.846 CV     1
 ASSI { 4086}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.900     1.000     1.000 peak  4086 spectrum    1 weight   .10000E+01 volume   .21118E-02 ppm1      3.611 ppm2      2.071 CV     1
 ASSI { 4093}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.500      .800      .800 peak  4093 spectrum    1 weight   .10000E+01 volume   .38001E-02 ppm1      4.332 ppm2      2.071 CV     1
 ASSI { 4101}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 41   and name HG11))
      1.800      .400      .400 peak  4101 spectrum    1 weight   .10000E+01 volume   .84966E-02 ppm1      1.827 ppm2      1.213 CV     1
 ASSI { 4103}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak  4103 spectrum    1 weight   .10000E+01 volume   .14208E-02 ppm1      2.724 ppm2      8.232 CV     1
 ASSI { 4106}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      2.800     1.000     1.000 peak  4106 spectrum    1 weight   .10000E+01 volume   .26884E-02 ppm1      3.793 ppm2      4.222 CV     1
 ASSI { 4109}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      2.900     1.000     1.000 peak  4109 spectrum    1 weight   .10000E+01 volume   .16052E-02 ppm1      4.138 ppm2      2.732 CV     1
 ASSI { 4118}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
      2.700      .900      .900 peak  4118 spectrum    1 weight   .10000E+01 volume   .26780E-02 ppm1      1.247 ppm2      3.807 CV     1
 ASSI { 4120}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HB  ))
      2.500      .800      .800 peak  4120 spectrum    1 weight   .10000E+01 volume   .34131E-02 ppm1      1.246 ppm2      2.736 CV     1
 ASSI { 4126}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      2.700      .900      .900 peak  4126 spectrum    1 weight   .10000E+01 volume   .33066E-02 ppm1      1.329 ppm2      3.806 CV     1
 ASSI { 4127}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  4127 spectrum    1 weight   .10000E+01 volume   .22806E-02 ppm1      1.330 ppm2      3.396 CV     1
 OR { 4127}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 4129}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HB  ))
      2.500      .800      .800 peak  4129 spectrum    1 weight   .10000E+01 volume   .39014E-02 ppm1      1.330 ppm2      2.733 CV     1
 ASSI { 4131}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.200     1.200 peak  4131 spectrum    1 weight   .10000E+01 volume   .11793E-02 ppm1      4.170 ppm2      7.567 CV     1
 ASSI { 4133}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.200     1.200     1.200 peak  4133 spectrum    1 weight   .10000E+01 volume   .15559E-02 ppm1      4.171 ppm2      2.970 CV     1
 ASSI { 4134}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.700      .900      .900 peak  4134 spectrum    1 weight   .10000E+01 volume   .26234E-02 ppm1      4.170 ppm2      1.889 CV     1
 ASSI { 4137}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak  4137 spectrum    1 weight   .10000E+01 volume   .11922E-02 ppm1      1.864 ppm2      3.388 CV     1
 OR { 4137}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 4138}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  4138 spectrum    1 weight   .10000E+01 volume   .18650E-02 ppm1      2.964 ppm2      3.389 CV     1
 OR { 4138}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 4142}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.700      .900      .900 peak  4142 spectrum    1 weight   .10000E+01 volume   .26858E-02 ppm1      4.332 ppm2      2.436 CV     1
 ASSI { 4144}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.600      .900      .900 peak  4144 spectrum    1 weight   .10000E+01 volume   .21663E-02 ppm1      2.633 ppm2      7.756 CV     1
 ASSI { 4146}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak  4146 spectrum    1 weight   .10000E+01 volume   .10520E-02 ppm1      2.630 ppm2      7.568 CV     1
 ASSI { 4150}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak  4150 spectrum    1 weight   .10000E+01 volume   .15845E-02 ppm1      4.182 ppm2      9.035 CV     1
 ASSI { 4152}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600      .900      .900 peak  4152 spectrum    1 weight   .10000E+01 volume   .32598E-02 ppm1      4.179 ppm2      4.813 CV     1
 ASSI { 4153}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  4153 spectrum    1 weight   .10000E+01 volume   .12182E-02 ppm1      4.135 ppm2      9.022 CV     1
 ASSI { 4155}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  4155 spectrum    1 weight   .10000E+01 volume   .23663E-02 ppm1      4.140 ppm2      4.816 CV     1
 ASSI { 4160}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.000      .500      .500 peak  4160 spectrum    1 weight   .10000E+01 volume   .60704E-02 ppm1      4.180 ppm2      4.512 CV     1
 ASSI { 4165}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  4165 spectrum    1 weight   .10000E+01 volume   .14935E-02 ppm1      5.174 ppm2      3.393 CV     1
 OR { 4165}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 4166}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.000     2.000     2.000 peak  4166 spectrum    1 weight   .10000E+01 volume   .67272E-03 ppm1      5.179 ppm2      2.987 CV     1
 ASSI { 4168}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HD1 ))
      3.700     1.700     1.700 peak  4168 spectrum    1 weight   .10000E+01 volume   .66493E-03 ppm1      1.951 ppm2      6.921 CV     1
 ASSI { 4170}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400      .700      .700 peak  4170 spectrum    1 weight   .10000E+01 volume   .80937E-02 ppm1      4.409 ppm2      2.409 CV     1
 ASSI { 4171}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.300     2.300     1.700 peak  4171 spectrum    1 weight   .10000E+01 volume   .47274E-03 ppm1      5.172 ppm2      1.875 CV     1
 ASSI { 4174}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak  4174 spectrum    1 weight   .10000E+01 volume   .20650E-02 ppm1      2.220 ppm2      4.422 CV     1
 ASSI { 4175}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak  4175 spectrum    1 weight   .10000E+01 volume   .24053E-02 ppm1      1.951 ppm2      7.721 CV     1
 ASSI { 4176}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.800      .400      .400 peak  4176 spectrum    1 weight   .10000E+01 volume   .12268E-01 ppm1      2.392 ppm2      1.969 CV     1
 ASSI { 4178}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  4178 spectrum    1 weight   .10000E+01 volume   .43638E-03 ppm1      3.666 ppm2      7.431 CV     1
 ASSI { 4183}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  4183 spectrum    1 weight   .10000E+01 volume   .77145E-03 ppm1      3.709 ppm2      7.429 CV     1
 ASSI { 4184}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500      .800      .800 peak  4184 spectrum    1 weight   .10000E+01 volume   .40781E-02 ppm1      4.361 ppm2      7.070 CV     1
 ASSI { 4187}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700      .900      .900 peak  4187 spectrum    1 weight   .10000E+01 volume   .24910E-02 ppm1      2.651 ppm2      8.086 CV     1
 ASSI { 4189}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.600      .900      .900 peak  4189 spectrum    1 weight   .10000E+01 volume   .44001E-02 ppm1      4.281 ppm2      2.303 CV     1
 OR { 4189}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI { 4191}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500      .800      .800 peak  4191 spectrum    1 weight   .10000E+01 volume   .56833E-02 ppm1      4.281 ppm2      2.071 CV     1
 ASSI { 4192}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD21))
      3.300     1.400     1.400 peak  4192 spectrum    1 weight   .10000E+01 volume   .92989E-03 ppm1      2.839 ppm2      6.862 CV     1
 ASSI { 4194}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD21))
      3.300     1.300     1.300 peak  4194 spectrum    1 weight   .10000E+01 volume   .75848E-03 ppm1      2.784 ppm2      6.866 CV     1
 ASSI {  468}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.000     1.000 peak   468 spectrum    1 weight   .10000E+01 volume   .29897E-02 ppm1       .807 ppm2      3.106 CV     1
 ASSI {  489}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      2.600      .800      .800 peak   489 spectrum    1 weight   .10000E+01 volume   .46417E-02 ppm1       .809 ppm2      2.785 CV     1
 ASSI {  530}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 92   and name HE% )
      3.100     1.200     1.200 peak   530 spectrum    1 weight   .10000E+01 volume   .22624E-02 ppm1       .769 ppm2      7.211 CV     1
 ASSI {  636}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 56   and name HD2%)
      3.100     1.200     1.200 peak   636 spectrum    1 weight   .10000E+01 volume   .12000E-02 ppm1      2.610 ppm2       .547 CV     1
 ASSI {  670}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      3.500     3.500     2.500 peak   670 spectrum    1 weight   .10000E+01 volume   .12260E-02 ppm1      1.066 ppm2      7.947 CV     1
 ASSI {  671}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 56   and name HD2%)
      3.700     1.700     1.700 peak   671 spectrum    1 weight   .10000E+01 volume   .61039E-03 ppm1      3.098 ppm2       .557 CV     1
 ASSI {  673}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.600      .800      .800 peak   673 spectrum    1 weight   .10000E+01 volume   .36676E-02 ppm1      4.139 ppm2      1.062 CV     1
 OR {  673}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI {  681}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 48   and name HD1%)
      3.400     1.400     1.400 peak   681 spectrum    1 weight   .10000E+01 volume   .19299E-02 ppm1      1.936 ppm2       .688 CV     1
 OR {  681}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI {  753}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HH2 ))
      3.900     1.900     1.900 peak   753 spectrum    1 weight   .10000E+01 volume   .50649E-03 ppm1       .963 ppm2      6.846 CV     1
 ASSI {  767}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 92   and name HZ  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight   .10000E+01 volume   .13871E-02 ppm1       .855 ppm2      6.993 CV     1
 ASSI {  780}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 92   and name HE% )
      2.900     1.100     1.100 peak   780 spectrum    1 weight   .10000E+01 volume   .18208E-02 ppm1       .856 ppm2      7.219 CV     1
 ASSI {  795}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.100     1.100 peak   795 spectrum    1 weight   .10000E+01 volume   .18468E-02 ppm1       .859 ppm2      3.630 CV     1
 ASSI {  799}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      2.700      .900      .900 peak   799 spectrum    1 weight   .10000E+01 volume   .38884E-02 ppm1       .857 ppm2      3.838 CV     1
 ASSI {  820}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 44   and name HB2 ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight   .10000E+01 volume   .98965E-03 ppm1       .858 ppm2      3.119 CV     1
 ASSI {  836}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      2.100      .500      .500 peak   836 spectrum    1 weight   .10000E+01 volume   .10091E-01 ppm1       .861 ppm2      2.065 CV     1
 OR {  836}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  850}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 56   and name HD1%)
      2.900     1.100     1.100 peak   850 spectrum    1 weight   .10000E+01 volume   .20052E-02 ppm1       .856 ppm2       .269 CV     1
 ASSI {  852}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 56   and name HD2%)
      2.600      .800      .800 peak   852 spectrum    1 weight   .10000E+01 volume   .40494E-02 ppm1       .859 ppm2       .583 CV     1
 ASSI { 1067}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 93   and name HE1 ))
      3.200     1.300     1.300 peak  1067 spectrum    1 weight   .10000E+01 volume   .13818E-02 ppm1       .902 ppm2      2.930 CV     1
 ASSI { 1087}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1087 spectrum    1 weight   .10000E+01 volume   .57923E-03 ppm1      1.922 ppm2      4.407 CV     1
 ASSI { 1258}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak  1258 spectrum    1 weight   .10000E+01 volume   .46235E-03 ppm1      2.202 ppm2      7.240 CV     1
 ASSI { 1762}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HA  ))
      3.000     1.100     1.100 peak  1762 spectrum    1 weight   .10000E+01 volume   .24806E-02 ppm1      1.732 ppm2      4.038 CV     1
 ASSI { 1776}
   (( segid "    " and resid 98   and name HE1 ))
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak  1776 spectrum    1 weight   .10000E+01 volume   .80000E-03 ppm1      2.959 ppm2      4.109 CV     1
 OR { 1776}
   (( segid "    " and resid 98   and name HE2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1786}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 96   and name HA  ))
      3.000     1.100     1.100 peak  1786 spectrum    1 weight   .10000E+01 volume   .16000E-02 ppm1      1.739 ppm2      3.560 CV     1
 ASSI { 1837}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HG2 ))
      2.500      .800      .800 peak  1837 spectrum    1 weight   .10000E+01 volume   .40494E-02 ppm1      2.055 ppm2      1.453 CV     1
 OR { 1837}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HG1 ))
 OR { 1837}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HG2 ))
 OR { 1837}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HG1 ))
 ASSI { 1849}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HA  ))
      2.700      .900      .900 peak  1849 spectrum    1 weight   .10000E+01 volume   .36702E-02 ppm1      1.839 ppm2      3.916 CV     1
 ASSI { 1868}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HG2%)
      2.100      .500      .500 peak  1868 spectrum    1 weight   .10000E+01 volume   .10369E-01 ppm1      1.904 ppm2       .919 CV     1
 OR { 1868}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HD1%)
 ASSI { 1898}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      4.600     2.600     1.400 peak  1898 spectrum    1 weight   .10000E+01 volume   .46754E-03 ppm1      2.157 ppm2      8.073 CV     1
 ASSI { 1950}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700      .900      .900 peak  1950 spectrum    1 weight   .10000E+01 volume   .28546E-02 ppm1      2.261 ppm2      3.576 CV     1
 ASSI { 1962}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800      .900      .900 peak  1962 spectrum    1 weight   .10000E+01 volume   .34182E-02 ppm1      2.024 ppm2      3.943 CV     1
 ASSI { 2161}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500      .800      .800 peak  2161 spectrum    1 weight   .10000E+01 volume   .40313E-02 ppm1      3.894 ppm2      2.080 CV     1
 OR { 2161}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 2165}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500      .800      .800 peak  2165 spectrum    1 weight   .10000E+01 volume   .38391E-02 ppm1      3.657 ppm2      2.077 CV     1
 OR { 2165}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2318}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.300     1.300     1.300 peak  2318 spectrum    1 weight   .10000E+01 volume   .17974E-02 ppm1      4.321 ppm2      1.896 CV     1
 OR { 2318}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 2318}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 2407}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB2 ))
      2.900     1.000     1.000 peak  2407 spectrum    1 weight   .10000E+01 volume   .15325E-02 ppm1      7.126 ppm2      3.191 CV     1
 OR { 2407}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB1 ))
 ASSI { 2416}
   (( segid "    " and resid 92   and name HZ  ))
   (  segid "    " and resid 40   and name HG1%)
      2.900     1.100     1.100 peak  2416 spectrum    1 weight   .10000E+01 volume   .79221E-03 ppm1      6.970 ppm2      1.269 CV     1
 ASSI { 2424}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 78   and name HB1 ))
      3.200     1.300     1.300 peak  2424 spectrum    1 weight   .10000E+01 volume   .78703E-03 ppm1      7.128 ppm2      2.833 CV     1
 ASSI { 2425}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 93   and name HB2 ))
      3.700     1.700     1.700 peak  2425 spectrum    1 weight   .10000E+01 volume   .63377E-03 ppm1      7.125 ppm2      2.003 CV     1
 OR { 2425}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 2431}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 96   and name HD1%)
      3.000     1.200     1.200 peak  2431 spectrum    1 weight   .10000E+01 volume   .12442E-02 ppm1      7.126 ppm2       .255 CV     1
 ASSI { 2442}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 47   and name HG2%)
      3.200     1.300     1.300 peak  2442 spectrum    1 weight   .10000E+01 volume   .14624E-02 ppm1      7.283 ppm2       .981 CV     1
 ASSI { 2459}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 99   and name HG2 ))
      3.700     1.700     1.700 peak  2459 spectrum    1 weight   .10000E+01 volume   .63638E-03 ppm1      7.299 ppm2      2.269 CV     1
 OR { 2459}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI { 2462}
   (( segid "    " and resid 43   and name HZ2 ))
   (( segid "    " and resid 96   and name HA  ))
      3.800     1.800     1.800 peak  2462 spectrum    1 weight   .10000E+01 volume   .53248E-03 ppm1      7.285 ppm2      3.569 CV     1
 ASSI { 2490}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak  2490 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1      6.574 ppm2      3.660 CV     1
 OR { 2490}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2492}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 70   and name HD1%)
      3.600     1.600     1.600 peak  2492 spectrum    1 weight   .10000E+01 volume   .66754E-03 ppm1      6.568 ppm2       .784 CV     1
 OR { 2492}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 2504}
   (( segid "    " and resid 106  and name HH2 ))
   (  segid "    " and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  2504 spectrum    1 weight   .10000E+01 volume   .62080E-03 ppm1      7.181 ppm2       .899 CV     1
 OR { 2504}
   (( segid "    " and resid 106  and name HH2 ))
   (  segid "    " and resid 104  and name HD1%)
 ASSI { 2526}
   (( segid "    " and resid 43   and name HH2 ))
   (  segid "    " and resid 96   and name HD1%)
      4.300     2.300     1.700 peak  2526 spectrum    1 weight   .10000E+01 volume   .41300E-03 ppm1      6.833 ppm2       .244 CV     1
 ASSI { 2527}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 40   and name HG1%)
      3.500     1.500     1.500 peak  2527 spectrum    1 weight   .10000E+01 volume   .68574E-03 ppm1      7.927 ppm2      1.274 CV     1
 ASSI { 2537}
   (( segid "    " and resid 35   and name HZ2 ))
   (( segid "    " and resid 35   and name HZ3 ))
      4.500     2.600     1.500 peak  2537 spectrum    1 weight   .10000E+01 volume   .52207E-03 ppm1      7.302 ppm2      6.035 CV     1
 ASSI { 2540}
   (( segid "    " and resid 35   and name HZ2 ))
   (( segid "    " and resid 43   and name HB1 ))
      4.000     2.000     2.000 peak  2540 spectrum    1 weight   .10000E+01 volume   .41040E-03 ppm1      7.308 ppm2      2.833 CV     1
 ASSI { 2543}
   (( segid "    " and resid 35   and name HE3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak  2543 spectrum    1 weight   .10000E+01 volume   .16182E-02 ppm1      7.125 ppm2       .780 CV     1
 OR { 2543}
   (( segid "    " and resid 35   and name HE3 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 2546}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.500     1.500 peak  2546 spectrum    1 weight   .10000E+01 volume   .92471E-03 ppm1      7.145 ppm2      3.157 CV     1
 OR { 2546}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 2548}
   (( segid "    " and resid 106  and name HZ2 ))
   (( segid "    " and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak  2548 spectrum    1 weight   .10000E+01 volume   .54288E-03 ppm1      7.463 ppm2      1.627 CV     1
 OR { 2548}
   (( segid "    " and resid 106  and name HZ2 ))
   (( segid "    " and resid 104  and name HG  ))
 ASSI { 2572}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  2572 spectrum    1 weight   .10000E+01 volume   .15663E-02 ppm1      1.957 ppm2      4.069 CV     1
 ASSI { 2644}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.700     2.700     1.300 peak  2644 spectrum    1 weight   .10000E+01 volume   .47793E-03 ppm1      2.154 ppm2      7.117 CV     1
 OR { 2644}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2682}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      2.500      .800      .800 peak  2682 spectrum    1 weight   .10000E+01 volume   .89897E-02 ppm1       .786 ppm2      3.990 CV     1
 ASSI { 2684}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      4.000     2.000     2.000 peak  2684 spectrum    1 weight   .10000E+01 volume   .74289E-03 ppm1       .790 ppm2      7.575 CV     1
 ASSI { 2685}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      2.900     2.900     3.100 peak  2685 spectrum    1 weight   .10000E+01 volume   .73510E-03 ppm1       .790 ppm2      6.549 CV     1
 ASSI { 2693}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
      3.000     1.200     1.200 peak  2693 spectrum    1 weight   .10000E+01 volume   .19143E-02 ppm1       .789 ppm2      1.905 CV     1
 OR { 2693}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 81   and name HG  ))
 ASSI { 2706}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HG12))
      2.500      .800      .800 peak  2706 spectrum    1 weight   .10000E+01 volume   .38183E-02 ppm1       .240 ppm2      1.578 CV     1
 ASSI { 2707}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak  2707 spectrum    1 weight   .10000E+01 volume   .11766E-02 ppm1       .240 ppm2      1.140 CV     1
 ASSI { 2711}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  2711 spectrum    1 weight   .10000E+01 volume   .26234E-02 ppm1       .933 ppm2      7.320 CV     1
 ASSI { 2712}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      3.000     1.100     1.100 peak  2712 spectrum    1 weight   .10000E+01 volume   .23274E-02 ppm1       .921 ppm2      7.807 CV     1
 ASSI { 2714}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak  2714 spectrum    1 weight   .10000E+01 volume   .14857E-02 ppm1       .893 ppm2      6.537 CV     1
 ASSI { 2716}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak  2716 spectrum    1 weight   .10000E+01 volume   .21715E-02 ppm1       .934 ppm2      4.388 CV     1
 ASSI { 2722}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  2722 spectrum    1 weight   .10000E+01 volume   .13663E-02 ppm1       .921 ppm2      4.488 CV     1
 ASSI { 2724}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HG11))
      2.000      .500      .500 peak  2724 spectrum    1 weight   .10000E+01 volume   .14182E-01 ppm1       .837 ppm2      1.164 CV     1
 ASSI { 2729}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak  2729 spectrum    1 weight   .10000E+01 volume   .70650E-03 ppm1       .921 ppm2      6.706 CV     1
 ASSI { 2736}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak  2736 spectrum    1 weight   .10000E+01 volume   .22079E-02 ppm1       .836 ppm2      8.457 CV     1
 ASSI { 2738}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      3.100     1.200     1.200 peak  2738 spectrum    1 weight   .10000E+01 volume   .57405E-03 ppm1       .835 ppm2      7.807 CV     1
 ASSI { 2740}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 91   and name HN  ))
      4.400     2.400     1.600 peak  2740 spectrum    1 weight   .10000E+01 volume   .72208E-03 ppm1       .861 ppm2      7.315 CV     1
 ASSI { 2742}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
      2.500      .800      .800 peak  2742 spectrum    1 weight   .10000E+01 volume   .44780E-02 ppm1       .836 ppm2      3.933 CV     1
 ASSI { 2744}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HA  ))
      3.400     1.500     1.500 peak  2744 spectrum    1 weight   .10000E+01 volume   .29091E-02 ppm1       .836 ppm2      3.705 CV     1
 ASSI { 2747}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 87   and name HB1 ))
      3.100     1.200     1.200 peak  2747 spectrum    1 weight   .10000E+01 volume   .63120E-03 ppm1       .863 ppm2      2.821 CV     1
 ASSI { 2750}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 86   and name HG  ))
      2.200      .600      .600 peak  2750 spectrum    1 weight   .10000E+01 volume   .78496E-02 ppm1       .863 ppm2      1.698 CV     1
 ASSI { 2754}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      2.600      .800      .800 peak  2754 spectrum    1 weight   .10000E+01 volume   .37300E-02 ppm1       .980 ppm2      7.549 CV     1
 ASSI { 2756}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
      2.400      .700      .700 peak  2756 spectrum    1 weight   .10000E+01 volume   .48287E-02 ppm1       .981 ppm2      6.545 CV     1
 ASSI { 2758}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak  2758 spectrum    1 weight   .10000E+01 volume   .25767E-02 ppm1       .980 ppm2      3.990 CV     1
 ASSI { 2759}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 67   and name HA1 ))
      4.400     2.400     1.600 peak  2759 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1       .980 ppm2      3.598 CV     1
 ASSI { 2761}
   (  segid "    " and resid 66   and name HG1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.700      .900      .900 peak  2761 spectrum    1 weight   .10000E+01 volume   .23819E-02 ppm1       .981 ppm2      1.889 CV     1
 ASSI { 2770}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  2770 spectrum    1 weight   .10000E+01 volume   .21897E-02 ppm1       .933 ppm2      3.833 CV     1
 ASSI { 2779}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HG1 ))
      2.600      .800      .800 peak  2779 spectrum    1 weight   .10000E+01 volume   .25611E-02 ppm1       .933 ppm2      1.600 CV     1
 ASSI { 2785}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      4.100     2.200     1.900 peak  2785 spectrum    1 weight   .10000E+01 volume   .69871E-03 ppm1       .811 ppm2      4.492 CV     1
 ASSI { 2787}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.500      .800      .800 peak  2787 spectrum    1 weight   .10000E+01 volume   .39845E-02 ppm1       .814 ppm2      4.003 CV     1
 ASSI { 2790}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HB2 ))
      4.200     2.200     1.800 peak  2790 spectrum    1 weight   .10000E+01 volume   .52730E-03 ppm1       .816 ppm2      3.125 CV     1
 ASSI { 2791}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HG2 ))
      2.800     1.000     1.000 peak  2791 spectrum    1 weight   .10000E+01 volume   .24286E-02 ppm1       .814 ppm2      2.279 CV     1
 OR { 2791}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 2792}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.700      .900      .900 peak  2792 spectrum    1 weight   .10000E+01 volume   .40183E-02 ppm1       .814 ppm2      2.079 CV     1
 OR { 2792}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 2803}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak  2803 spectrum    1 weight   .10000E+01 volume   .11662E-02 ppm1      1.066 ppm2      4.347 CV     1
 ASSI { 2809}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 44   and name HB1 ))
      3.800     1.800     1.800 peak  2809 spectrum    1 weight   .10000E+01 volume   .76883E-03 ppm1      1.063 ppm2      2.635 CV     1
 ASSI { 2818}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 88   and name HN  ))
      4.200     2.200     1.800 peak  2818 spectrum    1 weight   .10000E+01 volume   .79221E-03 ppm1      1.369 ppm2      7.870 CV     1
 ASSI { 2819}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 91   and name HN  ))
      3.400     1.500     1.500 peak  2819 spectrum    1 weight   .10000E+01 volume   .10364E-02 ppm1      1.369 ppm2      7.297 CV     1
 ASSI { 2823}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 79   and name HA  ))
      2.200      .600      .600 peak  2823 spectrum    1 weight   .10000E+01 volume   .91741E-02 ppm1      1.370 ppm2      3.583 CV     1
 ASSI { 2824}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak  2824 spectrum    1 weight   .10000E+01 volume   .21793E-02 ppm1      1.370 ppm2      3.241 CV     1
 ASSI { 2826}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 79   and name HB2 ))
      2.900     1.100     1.100 peak  2826 spectrum    1 weight   .10000E+01 volume   .23092E-02 ppm1      1.370 ppm2      2.223 CV     1
 OR { 2826}
   (  segid "    " and resid 89   and name HB% )
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 2842}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HG12))
      2.500      .800      .800 peak  2842 spectrum    1 weight   .10000E+01 volume   .31533E-02 ppm1       .565 ppm2      1.562 CV     1
 ASSI { 2843}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 70   and name HB1 ))
      2.700      .900      .900 peak  2843 spectrum    1 weight   .10000E+01 volume   .21351E-02 ppm1       .566 ppm2      1.132 CV     1
 ASSI { 2850}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      3.300     1.300     1.300 peak  2850 spectrum    1 weight   .10000E+01 volume   .11195E-02 ppm1       .529 ppm2      3.120 CV     1
 ASSI { 2851}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 54   and name HB1 ))
      3.800     1.800     1.800 peak  2851 spectrum    1 weight   .10000E+01 volume   .87017E-03 ppm1       .530 ppm2      2.704 CV     1
 ASSI { 2866}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak  2866 spectrum    1 weight   .10000E+01 volume   .51951E-03 ppm1       .565 ppm2      3.210 CV     1
 ASSI { 2871}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.300      .700      .700 peak  2871 spectrum    1 weight   .10000E+01 volume   .51872E-02 ppm1       .561 ppm2      1.361 CV     1
 ASSI { 2873}
   (  segid "    " and resid 56   and name HD2%)
   (  segid "    " and resid 60   and name HD1%)
      2.400      .700      .700 peak  2873 spectrum    1 weight   .10000E+01 volume   .59870E-02 ppm1       .560 ppm2       .899 CV     1
 OR { 2873}
   (  segid "    " and resid 56   and name HD2%)
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 2877}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      4.400     2.400     1.600 peak  2877 spectrum    1 weight   .10000E+01 volume   .45975E-03 ppm1       .643 ppm2      8.325 CV     1
 ASSI { 2878}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 92   and name HD% )
      3.100     1.200     1.200 peak  2878 spectrum    1 weight   .10000E+01 volume   .12182E-02 ppm1       .645 ppm2      7.169 CV     1
 OR { 2878}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 92   and name HE% )
 ASSI { 2879}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 48   and name HD1%)
      3.400     1.500     1.500 peak  2879 spectrum    1 weight   .10000E+01 volume   .95070E-03 ppm1      3.872 ppm2       .679 CV     1
 OR { 2879}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI { 2880}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.100     1.100 peak  2880 spectrum    1 weight   .10000E+01 volume   .17117E-02 ppm1       .642 ppm2      4.455 CV     1
 ASSI { 2883}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 92   and name HB1 ))
      3.700     1.700     1.700 peak  2883 spectrum    1 weight   .10000E+01 volume   .13871E-02 ppm1       .642 ppm2      3.176 CV     1
 ASSI { 2888}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak  2888 spectrum    1 weight   .10000E+01 volume   .51172E-03 ppm1       .679 ppm2      8.322 CV     1
 ASSI { 2889}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 92   and name HD% )
      3.000     1.100     1.100 peak  2889 spectrum    1 weight   .10000E+01 volume   .17948E-02 ppm1       .682 ppm2      7.165 CV     1
 OR { 2889}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 92   and name HE% )
 ASSI { 2891}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.100     1.100 peak  2891 spectrum    1 weight   .10000E+01 volume   .20104E-02 ppm1       .681 ppm2      4.455 CV     1
 ASSI { 2902}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HG  ))
      2.100      .600      .600 peak  2902 spectrum    1 weight   .10000E+01 volume   .11762E-01 ppm1       .681 ppm2      1.575 CV     1
 OR { 2902}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HB1 ))
 OR { 2902}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 2903}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HG  ))
      2.100      .600      .600 peak  2903 spectrum    1 weight   .10000E+01 volume   .11650E-01 ppm1       .641 ppm2      1.576 CV     1
 OR { 2903}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HB2 ))
 OR { 2903}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 2906}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      4.200     2.200     1.800 peak  2906 spectrum    1 weight   .10000E+01 volume   .63120E-03 ppm1      1.065 ppm2      8.550 CV     1
 ASSI { 2912}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak  2912 spectrum    1 weight   .10000E+01 volume   .69615E-03 ppm1      1.065 ppm2      7.450 CV     1
 ASSI { 2915}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.900     1.900     1.900 peak  2915 spectrum    1 weight   .10000E+01 volume   .95849E-03 ppm1      1.070 ppm2      4.504 CV     1
 ASSI { 2916}
   (  segid "    " and resid 66   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      2.200      .600      .600 peak  2916 spectrum    1 weight   .10000E+01 volume   .89847E-02 ppm1      1.077 ppm2      4.264 CV     1
 ASSI { 2925}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  2925 spectrum    1 weight   .10000E+01 volume   .15715E-02 ppm1      1.074 ppm2      6.546 CV     1
 ASSI { 2927}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      2.500      .800      .800 peak  2927 spectrum    1 weight   .10000E+01 volume   .41560E-02 ppm1      1.074 ppm2      3.989 CV     1
 ASSI { 2943}
   (( segid "    " and resid 91   and name HB1 ))
   (  segid "    " and resid 48   and name HD1%)
      2.900     1.000     1.000 peak  2943 spectrum    1 weight   .10000E+01 volume   .19585E-02 ppm1      1.845 ppm2       .681 CV     1
 OR { 2943}
   (( segid "    " and resid 91   and name HB1 ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI { 2948}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 51   and name HG1 ))
      2.400      .700      .700 peak  2948 spectrum    1 weight   .10000E+01 volume   .48313E-02 ppm1      1.190 ppm2      2.285 CV     1
 ASSI { 2950}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      2.700     2.700     3.300 peak  2950 spectrum    1 weight   .10000E+01 volume   .14000E-02 ppm1      1.184 ppm2      1.875 CV     1
 ASSI { 2960}
   (  segid "    " and resid 104  and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      4.500     2.500     1.500 peak  2960 spectrum    1 weight   .10000E+01 volume   .75069E-03 ppm1       .836 ppm2      8.054 CV     1
 ASSI { 2962}
   (  segid "    " and resid 104  and name HD1%)
   (( segid "    " and resid 104  and name HA  ))
      2.600      .900      .900 peak  2962 spectrum    1 weight   .10000E+01 volume   .96805E-02 ppm1       .836 ppm2      4.267 CV     1
 ASSI { 2974}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 104  and name HD1%)
      2.500      .800      .800 peak  2974 spectrum    1 weight   .10000E+01 volume   .51975E-02 ppm1      1.456 ppm2       .894 CV     1
 OR { 2974}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 104  and name HD2%)
 ASSI { 2982}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 104  and name HD2%)
      2.300      .600      .600 peak  2982 spectrum    1 weight   .10000E+01 volume   .90676E-02 ppm1      1.614 ppm2       .892 CV     1
 OR { 2982}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 104  and name HD1%)
 ASSI { 2986}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 104  and name HN  ))
      4.400     2.400     1.600 peak  2986 spectrum    1 weight   .10000E+01 volume   .69353E-03 ppm1       .897 ppm2      7.861 CV     1
 ASSI { 2991}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak  2991 spectrum    1 weight   .10000E+01 volume   .26676E-02 ppm1       .901 ppm2      3.966 CV     1
 ASSI { 2992}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 90   and name HA  ))
      3.300     1.400     1.400 peak  2992 spectrum    1 weight   .10000E+01 volume   .93250E-03 ppm1       .901 ppm2      3.664 CV     1
 ASSI { 2994}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 78   and name HB1 ))
      3.200     3.200     2.800 peak  2994 spectrum    1 weight   .10000E+01 volume   .19117E-02 ppm1       .902 ppm2      2.780 CV     1
 ASSI { 2995}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 104  and name HG  ))
      2.000      .500      .500 peak  2995 spectrum    1 weight   .10000E+01 volume   .18572E-01 ppm1       .901 ppm2      1.616 CV     1
 OR { 2995}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 104  and name HB2 ))
 ASSI { 2996}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300      .700      .700 peak  2996 spectrum    1 weight   .10000E+01 volume   .96342E-02 ppm1       .900 ppm2      1.902 CV     1
 ASSI { 3000}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak  3000 spectrum    1 weight   .10000E+01 volume   .49613E-03 ppm1      1.001 ppm2      8.551 CV     1
 ASSI { 3002}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak  3002 spectrum    1 weight   .10000E+01 volume   .68051E-03 ppm1      1.004 ppm2      7.470 CV     1
 ASSI { 3003}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  3003 spectrum    1 weight   .10000E+01 volume   .31949E-02 ppm1      1.004 ppm2      4.291 CV     1
 ASSI { 3009}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 61   and name HG2 ))
      2.700      .900      .900 peak  3009 spectrum    1 weight   .10000E+01 volume   .27481E-02 ppm1      1.003 ppm2      1.768 CV     1
 ASSI { 3010}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 61   and name HG1 ))
      2.700      .900      .900 peak  3010 spectrum    1 weight   .10000E+01 volume   .22988E-02 ppm1      1.004 ppm2      1.595 CV     1
 ASSI { 3013}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 96   and name HD1%)
      3.100     1.200     1.200 peak  3013 spectrum    1 weight   .10000E+01 volume   .12130E-02 ppm1       .750 ppm2       .259 CV     1
 ASSI { 3029}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 63   and name HD22))
      2.600     2.600     3.400 peak  3029 spectrum    1 weight   .10000E+01 volume   .15923E-02 ppm1       .786 ppm2      7.640 CV     1
 OR { 3029}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 3033}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
      2.600      .800      .800 peak  3033 spectrum    1 weight   .10000E+01 volume   .22806E-02 ppm1       .787 ppm2      2.924 CV     1
 ASSI { 3034}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 63   and name HB1 ))
      2.600     2.600     3.400 peak  3034 spectrum    1 weight   .10000E+01 volume   .15923E-02 ppm1       .785 ppm2      2.549 CV     1
 ASSI { 3037}
   (  segid "    " and resid 81   and name HD1%)
   (( segid "    " and resid 81   and name HB1 ))
      2.700      .900      .900 peak  3037 spectrum    1 weight   .10000E+01 volume   .82288E-02 ppm1       .786 ppm2      1.392 CV     1
 ASSI { 3043}
   (( segid "    " and resid 81   and name HG  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.800     1.000     1.000 peak  3043 spectrum    1 weight   .10000E+01 volume   .19507E-02 ppm1      1.937 ppm2      1.390 CV     1
 ASSI { 3052}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 92   and name HZ  ))
      3.400     1.500     1.500 peak  3052 spectrum    1 weight   .10000E+01 volume   .88832E-03 ppm1       .891 ppm2      6.994 CV     1
 ASSI { 3053}
   (  segid "    " and resid 81   and name HD2%)
   (  segid "    " and resid 92   and name HE% )
      2.700      .900      .900 peak  3053 spectrum    1 weight   .10000E+01 volume   .26105E-02 ppm1       .890 ppm2      7.224 CV     1
 ASSI { 3057}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HG  ))
      2.100      .600      .600 peak  3057 spectrum    1 weight   .10000E+01 volume   .13590E-01 ppm1       .890 ppm2      1.959 CV     1
 OR { 3057}
   (  segid "    " and resid 81   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 3098}
   (( segid "    " and resid 100  and name HD2 ))
   (( segid "    " and resid 100  and name HB1 ))
      2.500      .800      .800 peak  3098 spectrum    1 weight   .10000E+01 volume   .47040E-02 ppm1      3.083 ppm2      1.733 CV     1
 OR { 3098}
   (( segid "    " and resid 100  and name HD2 ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 3170}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 95   and name HA  ))
      2.900     1.100     1.100 peak  3170 spectrum    1 weight   .10000E+01 volume   .19819E-02 ppm1       .714 ppm2      4.105 CV     1
 ASSI { 3171}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 47   and name HB  ))
      2.700     2.700     3.300 peak  3171 spectrum    1 weight   .10000E+01 volume   .11169E-02 ppm1       .711 ppm2      3.304 CV     1
 ASSI { 3177}
   (  segid "    " and resid 95   and name HD2%)
   (( segid "    " and resid 43   and name HZ2 ))
      3.200     1.300     1.300 peak  3177 spectrum    1 weight   .10000E+01 volume   .12208E-02 ppm1       .714 ppm2      7.293 CV     1
 ASSI { 3179}
   (( segid "    " and resid 70   and name HG  ))
   (  segid "    " and resid 70   and name HD1%)
      2.100      .600      .600 peak  3179 spectrum    1 weight   .10000E+01 volume   .91406E-02 ppm1      1.790 ppm2       .783 CV     1
 OR { 3179}
   (( segid "    " and resid 70   and name HG  ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3190}
   (( segid "    " and resid 94   and name HG11))
   (  segid "    " and resid 94   and name HD1%)
      2.400      .700      .700 peak  3190 spectrum    1 weight   .10000E+01 volume   .64471E-02 ppm1      1.150 ppm2       .891 CV     1
 OR { 3190}
   (( segid "    " and resid 94   and name HG11))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 3215}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  3215 spectrum    1 weight   .10000E+01 volume   .12442E-02 ppm1      3.878 ppm2      7.322 CV     1
 ASSI { 3241}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 81   and name HD2%)
      3.500     3.500     2.500 peak  3241 spectrum    1 weight   .10000E+01 volume   .11273E-02 ppm1      2.739 ppm2       .890 CV     1
 ASSI { 3246}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      2.800     1.000     1.000 peak  3246 spectrum    1 weight   .10000E+01 volume   .24364E-02 ppm1      3.954 ppm2      2.388 CV     1
 OR { 3246}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG1 ))
 ASSI { 3256}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400      .700      .700 peak  3256 spectrum    1 weight   .10000E+01 volume   .64964E-02 ppm1      4.285 ppm2      2.307 CV     1
 OR { 3256}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
 ASSI { 3264}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.200     1.300     1.300 peak  3264 spectrum    1 weight   .10000E+01 volume   .24884E-02 ppm1      1.712 ppm2      3.552 CV     1
 ASSI { 3267}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HB2 ))
      2.100      .600      .600 peak  3267 spectrum    1 weight   .10000E+01 volume   .38053E-02 ppm1      1.122 ppm2      1.738 CV     1
 OR { 3267}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HG  ))
 ASSI { 3268}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      2.700      .900      .900 peak  3268 spectrum    1 weight   .10000E+01 volume   .28183E-02 ppm1      1.122 ppm2       .783 CV     1
 OR { 3268}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3275}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD2%)
      2.500      .800      .800 peak  3275 spectrum    1 weight   .10000E+01 volume   .43689E-02 ppm1      1.713 ppm2       .781 CV     1
 OR { 3275}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 3283}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     3.100 peak  3283 spectrum    1 weight   .10000E+01 volume   .76104E-03 ppm1      2.559 ppm2      3.682 CV     1
 OR { 3283}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3285}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     3.100 peak  3285 spectrum    1 weight   .10000E+01 volume   .80522E-03 ppm1      2.712 ppm2      3.705 CV     1
 ASSI { 3304}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      2.500      .800      .800 peak  3304 spectrum    1 weight   .10000E+01 volume   .47456E-02 ppm1      2.040 ppm2       .908 CV     1
 OR { 3304}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 3306}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.500      .800      .800 peak  3306 spectrum    1 weight   .10000E+01 volume   .44806E-02 ppm1      3.978 ppm2      1.407 CV     1
 ASSI { 3320}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.500      .800      .800 peak  3320 spectrum    1 weight   .10000E+01 volume   .54367E-02 ppm1      3.173 ppm2      1.913 CV     1
 OR { 3320}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 3320}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 3321}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG1 ))
      2.500      .800      .800 peak  3321 spectrum    1 weight   .10000E+01 volume   .39637E-02 ppm1      3.220 ppm2      1.905 CV     1
 OR { 3321}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 3334}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 53   and name HG2%)
      3.300     3.300     2.700 peak  3334 spectrum    1 weight   .10000E+01 volume   .13325E-02 ppm1      2.293 ppm2      1.208 CV     1
 ASSI { 3335}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 53   and name HG2%)
      3.400     1.500     1.500 peak  3335 spectrum    1 weight   .10000E+01 volume   .11715E-02 ppm1      2.242 ppm2      1.211 CV     1
 ASSI { 3339}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak  3339 spectrum    1 weight   .10000E+01 volume   .11325E-02 ppm1      2.243 ppm2       .853 CV     1
 OR { 3339}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 3341}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.600      .800      .800 peak  3341 spectrum    1 weight   .10000E+01 volume   .54106E-02 ppm1      2.032 ppm2      4.055 CV     1
 ASSI { 3343}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      2.700      .900      .900 peak  3343 spectrum    1 weight   .10000E+01 volume   .41300E-02 ppm1      2.040 ppm2      4.039 CV     1
 ASSI { 3359}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      3.400     1.500     1.500 peak  3359 spectrum    1 weight   .10000E+01 volume   .77662E-03 ppm1      3.914 ppm2      1.189 CV     1
 OR { 3359}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 3361}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      2.300      .700      .700 peak  3361 spectrum    1 weight   .10000E+01 volume   .65872E-02 ppm1       .963 ppm2      3.309 CV     1
 ASSI { 3378}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak  3378 spectrum    1 weight   .10000E+01 volume   .11481E-02 ppm1      3.294 ppm2      4.071 CV     1
 ASSI { 3414}
   (( segid "    " and resid 106  and name HE3 ))
   (( segid "    " and resid 106  and name HA  ))
      3.500     1.600     1.600 peak  3414 spectrum    1 weight   .10000E+01 volume   .12935E-02 ppm1      7.618 ppm2      4.671 CV     1
 ASSI { 3415}
   (( segid "    " and resid 106  and name HH2 ))
   (( segid "    " and resid 106  and name HE3 ))
      4.400     2.400     1.600 peak  3415 spectrum    1 weight   .10000E+01 volume   .69092E-03 ppm1      7.173 ppm2      7.630 CV     1
 ASSI { 3422}
   (( segid "    " and resid 104  and name HG  ))
   (( segid "    " and resid 104  and name HN  ))
      3.500     1.500     1.500 peak  3422 spectrum    1 weight   .10000E+01 volume   .22130E-02 ppm1      1.623 ppm2      7.864 CV     1
 ASSI { 3423}
   (( segid "    " and resid 104  and name HG  ))
   (( segid "    " and resid 105  and name HN  ))
      4.500     2.500     1.500 peak  3423 spectrum    1 weight   .10000E+01 volume   .52207E-03 ppm1      1.617 ppm2      8.075 CV     1
 ASSI { 3432}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.400     1.500     1.500 peak  3432 spectrum    1 weight   .10000E+01 volume   .95849E-03 ppm1      4.372 ppm2      1.904 CV     1
 ASSI { 3457}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      3.500     3.500     2.500 peak  3457 spectrum    1 weight   .10000E+01 volume   .78964E-03 ppm1      3.553 ppm2       .943 CV     1
 ASSI { 3462}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.900     1.000     1.000 peak  3462 spectrum    1 weight   .10000E+01 volume   .21299E-02 ppm1      4.133 ppm2      2.742 CV     1
 OR { 3462}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI { 3471}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600      .900      .900 peak  3471 spectrum    1 weight   .10000E+01 volume   .24390E-02 ppm1      1.732 ppm2      4.081 CV     1
 ASSI { 3473}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 94   and name HG2%)
      3.100     1.200     1.200 peak  3473 spectrum    1 weight   .10000E+01 volume   .19221E-02 ppm1      1.966 ppm2       .918 CV     1
 OR { 3473}
   (( segid "    " and resid 98   and name HB1 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 3477}
   (( segid "    " and resid 98   and name HE2 ))
   (  segid "    " and resid 94   and name HG2%)
      2.800     1.000     1.000 peak  3477 spectrum    1 weight   .10000E+01 volume   .30105E-02 ppm1      2.958 ppm2       .926 CV     1
 OR { 3477}
   (( segid "    " and resid 98   and name HE1 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 3492}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HB2 ))
      4.100     2.100     1.900 peak  3492 spectrum    1 weight   .10000E+01 volume   .62597E-03 ppm1      2.834 ppm2      1.965 CV     1
 OR { 3492}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HB1 ))
 ASSI { 3497}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.100     2.100     1.900 peak  3497 spectrum    1 weight   .10000E+01 volume   .54027E-03 ppm1      1.738 ppm2      3.042 CV     1
 ASSI { 3500}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 92   and name HZ  ))
      3.100     1.200     1.200 peak  3500 spectrum    1 weight   .10000E+01 volume   .14312E-02 ppm1       .751 ppm2      6.980 CV     1
 ASSI { 3501}
   (( segid "    " and resid 96   and name HG12))
   (( segid "    " and resid 43   and name HH2 ))
      3.700     1.700     1.700 peak  3501 spectrum    1 weight   .10000E+01 volume   .50393E-03 ppm1      1.570 ppm2      6.864 CV     1
 ASSI { 3508}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak  3508 spectrum    1 weight   .10000E+01 volume   .69146E-02 ppm1      4.069 ppm2       .810 CV     1
 ASSI { 3521}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      2.400      .700      .700 peak  3521 spectrum    1 weight   .10000E+01 volume   .40521E-02 ppm1      4.371 ppm2       .903 CV     1
 ASSI { 3529}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.500     1.600     1.600 peak  3529 spectrum    1 weight   .10000E+01 volume   .71429E-03 ppm1      3.643 ppm2      7.309 CV     1
 ASSI { 3530}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
      3.400     1.400     1.400 peak  3530 spectrum    1 weight   .10000E+01 volume   .10858E-02 ppm1      3.643 ppm2      4.009 CV     1
 ASSI { 3532}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG12))
      2.400      .700      .700 peak  3532 spectrum    1 weight   .10000E+01 volume   .55274E-02 ppm1      3.642 ppm2      1.879 CV     1
 OR { 3532}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
 ASSI { 3536}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
      2.200      .600      .600 peak  3536 spectrum    1 weight   .10000E+01 volume   .13689E-01 ppm1      3.642 ppm2       .903 CV     1
 OR { 3536}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
 ASSI { 3537}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      2.300      .700      .700 peak  3537 spectrum    1 weight   .10000E+01 volume   .76676E-02 ppm1      3.687 ppm2       .926 CV     1
 ASSI { 3538}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 56   and name HD2%)
      2.700      .900      .900 peak  3538 spectrum    1 weight   .10000E+01 volume   .35455E-02 ppm1      3.643 ppm2       .548 CV     1
 ASSI { 3539}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG1 ))
      2.600      .900      .900 peak  3539 spectrum    1 weight   .10000E+01 volume   .38365E-02 ppm1      3.791 ppm2      1.454 CV     1
 OR { 3539}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 3541}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  3541 spectrum    1 weight   .10000E+01 volume   .10234E-02 ppm1      2.055 ppm2      8.457 CV     1
 OR { 3541}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 3545}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HG11))
      3.400     1.400     1.400 peak  3545 spectrum    1 weight   .10000E+01 volume   .14000E-02 ppm1      3.793 ppm2       .608 CV     1
 OR { 3545}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 96   and name HG2%)
 ASSI { 3551}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.200     1.300     1.300 peak  3551 spectrum    1 weight   .10000E+01 volume   .10520E-02 ppm1      3.792 ppm2      8.265 CV     1
 ASSI { 3556}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.400      .700      .700 peak  3556 spectrum    1 weight   .10000E+01 volume   .46625E-02 ppm1      4.441 ppm2      3.229 CV     1
 ASSI { 3564}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 92   and name HD% )
      3.200     1.200     1.200 peak  3564 spectrum    1 weight   .10000E+01 volume   .10208E-02 ppm1      2.826 ppm2      7.157 CV     1
 OR { 3564}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 92   and name HE% )
 ASSI { 3571}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.000     1.000 peak  3571 spectrum    1 weight   .10000E+01 volume   .15273E-02 ppm1      4.044 ppm2      2.847 CV     1
 ASSI { 3597}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.800     1.800     1.800 peak  3597 spectrum    1 weight   .10000E+01 volume   .81040E-03 ppm1      3.927 ppm2      2.266 CV     1
 ASSI { 3598}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.400      .700      .700 peak  3598 spectrum    1 weight   .10000E+01 volume   .49406E-02 ppm1      3.928 ppm2      1.685 CV     1
 OR { 3598}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG  ))
 ASSI { 3604}
   (( segid "    " and resid 86   and name HG  ))
   (  segid "    " and resid 86   and name HD1%)
      2.000      .500      .500 peak  3604 spectrum    1 weight   .10000E+01 volume   .14392E-01 ppm1      1.687 ppm2       .893 CV     1
 OR { 3604}
   (( segid "    " and resid 86   and name HG  ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 3608}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 79   and name HE22))
      3.100     1.200     1.200 peak  3608 spectrum    1 weight   .10000E+01 volume   .52986E-03 ppm1       .862 ppm2      7.083 CV     1
 ASSI { 3610}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
      4.200     2.200     1.800 peak  3610 spectrum    1 weight   .10000E+01 volume   .71691E-03 ppm1       .865 ppm2      2.924 CV     1
 ASSI { 3613}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 73   and name HB1 ))
      3.200     1.300     1.300 peak  3613 spectrum    1 weight   .10000E+01 volume   .96628E-03 ppm1      2.762 ppm2      1.380 CV     1
 ASSI { 3619}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 79   and name HG2 ))
      3.700     1.700     1.700 peak  3619 spectrum    1 weight   .10000E+01 volume   .16988E-02 ppm1      3.549 ppm2      2.277 CV     1
 ASSI { 3620}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 79   and name HG2 ))
      2.800     1.000     1.000 peak  3620 spectrum    1 weight   .10000E+01 volume   .13455E-02 ppm1      4.267 ppm2      2.260 CV     1
 ASSI { 3621}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 79   and name HG1 ))
      4.200     2.200     1.800 peak  3621 spectrum    1 weight   .10000E+01 volume   .93250E-03 ppm1      3.539 ppm2      1.904 CV     1
 ASSI { 3622}
   (( segid "    " and resid 84   and name HA2 ))
   (( segid "    " and resid 79   and name HG1 ))
      3.600     1.600     1.600 peak  3622 spectrum    1 weight   .10000E+01 volume   .79482E-03 ppm1      4.272 ppm2      1.908 CV     1
 ASSI { 3641}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 85   and name HB1 ))
      4.000     2.000     2.000 peak  3641 spectrum    1 weight   .10000E+01 volume   .72988E-03 ppm1      3.223 ppm2      2.690 CV     1
 ASSI { 3643}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HB2 ))
      1.900      .400      .400 peak  3643 spectrum    1 weight   .10000E+01 volume   .89325E-02 ppm1      2.670 ppm2      3.089 CV     1
 ASSI { 3656}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
      4.600     2.600     1.400 peak  3656 spectrum    1 weight   .10000E+01 volume   .55324E-03 ppm1      2.162 ppm2      2.903 CV     1
 ASSI { 3657}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 89   and name HB% )
      3.100     1.200     1.200 peak  3657 spectrum    1 weight   .10000E+01 volume   .12234E-02 ppm1      2.159 ppm2      1.390 CV     1
 ASSI { 3660}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak  3660 spectrum    1 weight   .10000E+01 volume   .13585E-02 ppm1      1.886 ppm2       .896 CV     1
 OR { 3660}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 3661}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 89   and name HB% )
      3.600     1.600     1.600 peak  3661 spectrum    1 weight   .10000E+01 volume   .20832E-02 ppm1      1.907 ppm2      1.393 CV     1
 ASSI { 3669}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.200     1.200 peak  3669 spectrum    1 weight   .10000E+01 volume   .18286E-02 ppm1      4.094 ppm2      3.437 CV     1
 ASSI { 3673}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      3.100     1.200     1.200 peak  3673 spectrum    1 weight   .10000E+01 volume   .88575E-03 ppm1      1.354 ppm2      3.102 CV     1
 ASSI { 3675}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 89   and name HB% )
      2.800     1.000     1.000 peak  3675 spectrum    1 weight   .10000E+01 volume   .24494E-02 ppm1      2.819 ppm2      1.392 CV     1
 ASSI { 3682}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700      .900      .900 peak  3682 spectrum    1 weight   .10000E+01 volume   .60442E-02 ppm1      4.072 ppm2      1.994 CV     1
 OR { 3682}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 3688}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 89   and name HB% )
      3.100     1.200     1.200 peak  3688 spectrum    1 weight   .10000E+01 volume   .16208E-02 ppm1      3.427 ppm2      1.393 CV     1
 ASSI { 3692}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.100     1.100 peak  3692 spectrum    1 weight   .10000E+01 volume   .20572E-02 ppm1       .858 ppm2      3.449 CV     1
 ASSI { 3694}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 73   and name HD1%)
      2.700      .900      .900 peak  3694 spectrum    1 weight   .10000E+01 volume   .37689E-02 ppm1      2.760 ppm2       .835 CV     1
 OR { 3694}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 3695}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
      2.900     1.100     1.100 peak  3695 spectrum    1 weight   .10000E+01 volume   .22624E-02 ppm1      3.087 ppm2       .844 CV     1
 OR { 3695}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 3701}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB1 ))
      2.500      .800      .800 peak  3701 spectrum    1 weight   .10000E+01 volume   .51379E-02 ppm1      2.422 ppm2      2.045 CV     1
 ASSI { 3707}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.500      .800      .800 peak  3707 spectrum    1 weight   .10000E+01 volume   .46936E-02 ppm1      1.880 ppm2       .904 CV     1
 OR { 3707}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 3721}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  3721 spectrum    1 weight   .10000E+01 volume   .89561E-02 ppm1       .805 ppm2      4.488 CV     1
 ASSI { 3723}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  3723 spectrum    1 weight   .10000E+01 volume   .24806E-02 ppm1       .804 ppm2      7.205 CV     1
 ASSI { 3730}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.400     1.400 peak  3730 spectrum    1 weight   .10000E+01 volume   .92471E-03 ppm1       .840 ppm2      2.788 CV     1
 ASSI { 3731}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.500     1.500     1.500 peak  3731 spectrum    1 weight   .10000E+01 volume   .69615E-03 ppm1       .839 ppm2      3.092 CV     1
 ASSI { 3741}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.700     1.700     1.700 peak  3741 spectrum    1 weight   .10000E+01 volume   .97146E-03 ppm1      1.976 ppm2      3.499 CV     1
 OR { 3741}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HD1 ))
 ASSI { 3747}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.500      .800      .800 peak  3747 spectrum    1 weight   .10000E+01 volume   .34182E-02 ppm1      1.983 ppm2      3.484 CV     1
 OR { 3747}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD1 ))
 ASSI { 3752}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 32   and name HE% )
      3.100     1.200     1.200 peak  3752 spectrum    1 weight   .10000E+01 volume   .13740E-02 ppm1      1.983 ppm2      6.992 CV     1
 ASSI { 3753}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 32   and name HE% )
      3.300     1.400     1.400 peak  3753 spectrum    1 weight   .10000E+01 volume   .65975E-03 ppm1      1.503 ppm2      6.993 CV     1
 ASSI { 3755}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.500      .800      .800 peak  3755 spectrum    1 weight   .10000E+01 volume   .26598E-02 ppm1      3.549 ppm2      1.996 CV     1
 OR { 3755}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 3765}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak  3765 spectrum    1 weight   .10000E+01 volume   .37430E-02 ppm1      3.440 ppm2      1.998 CV     1
 OR { 3765}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 3770}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HD1%)
      3.500     1.600     1.600 peak  3770 spectrum    1 weight   .10000E+01 volume   .90390E-03 ppm1      3.443 ppm2       .790 CV     1
 OR { 3770}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3773}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 32   and name HE% )
      3.300     1.400     1.400 peak  3773 spectrum    1 weight   .10000E+01 volume   .72208E-03 ppm1      3.438 ppm2      6.990 CV     1
 OR { 3773}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 3774}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 32   and name HE% )
      3.000     1.100     1.100 peak  3774 spectrum    1 weight   .10000E+01 volume   .67016E-03 ppm1      3.554 ppm2      6.985 CV     1
 ASSI { 3778}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 70   and name HG  ))
      3.600     1.600     1.600 peak  3778 spectrum    1 weight   .10000E+01 volume   .12883E-02 ppm1      3.569 ppm2      1.800 CV     1
 ASSI { 3779}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 96   and name HG2%)
      3.200     1.300     1.300 peak  3779 spectrum    1 weight   .10000E+01 volume   .18338E-02 ppm1      1.709 ppm2       .596 CV     1
 ASSI { 3784}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 92   and name HE% )
      3.100     1.200     1.200 peak  3784 spectrum    1 weight   .10000E+01 volume   .13922E-02 ppm1       .752 ppm2      7.160 CV     1
 OR { 3784}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 92   and name HD% )
 ASSI { 3788}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 70   and name HD1%)
      3.700     1.700     1.700 peak  3788 spectrum    1 weight   .10000E+01 volume   .15325E-02 ppm1      3.578 ppm2       .779 CV     1
 OR { 3788}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3791}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.500      .800      .800 peak  3791 spectrum    1 weight   .10000E+01 volume   .38157E-02 ppm1      4.331 ppm2      1.907 CV     1
 ASSI { 3806}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 66   and name HG1%)
      3.200     1.300     1.300 peak  3806 spectrum    1 weight   .10000E+01 volume   .15429E-02 ppm1      2.559 ppm2       .995 CV     1
 ASSI { 3807}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 66   and name HG1%)
      3.100     1.200     1.200 peak  3807 spectrum    1 weight   .10000E+01 volume   .16702E-02 ppm1      2.712 ppm2       .971 CV     1
 ASSI { 3812}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 40   and name HG1%)
      3.300     1.300     1.300 peak  3812 spectrum    1 weight   .10000E+01 volume   .13039E-02 ppm1      3.569 ppm2      1.347 CV     1
 OR { 3812}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 3815}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.900     1.100     1.100 peak  3815 spectrum    1 weight   .10000E+01 volume   .17377E-02 ppm1      4.245 ppm2      1.335 CV     1
 ASSI { 3825}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500      .800      .800 peak  3825 spectrum    1 weight   .10000E+01 volume   .30494E-02 ppm1      3.969 ppm2      6.543 CV     1
 ASSI { 3870}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.600      .800      .800 peak  3870 spectrum    1 weight   .10000E+01 volume   .37975E-02 ppm1      2.142 ppm2      4.070 CV     1
 ASSI { 3875}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 37   and name HG1%)
      2.300      .700      .700 peak  3875 spectrum    1 weight   .10000E+01 volume   .75793E-02 ppm1      4.067 ppm2      1.040 CV     1
 ASSI { 3897}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700      .900      .900 peak  3897 spectrum    1 weight   .10000E+01 volume   .31247E-02 ppm1      1.916 ppm2      4.060 CV     1
 OR { 3897}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 3904}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 41   and name HG12))
      3.400     1.500     1.500 peak  3904 spectrum    1 weight   .10000E+01 volume   .57143E-03 ppm1      3.808 ppm2      1.852 CV     1
 ASSI { 3934}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 54   and name HB2 ))
      4.400     2.400     1.600 peak  3934 spectrum    1 weight   .10000E+01 volume   .65196E-03 ppm1      3.660 ppm2      3.116 CV     1
 ASSI { 3935}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  3935 spectrum    1 weight   .10000E+01 volume   .57923E-03 ppm1      3.889 ppm2      3.115 CV     1
 ASSI { 3937}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 54   and name HB1 ))
      4.400     2.400     1.600 peak  3937 spectrum    1 weight   .10000E+01 volume   .48832E-03 ppm1      3.658 ppm2      2.739 CV     1
 ASSI { 3944}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 50   and name HB  ))
      3.200     1.200     1.200 peak  3944 spectrum    1 weight   .10000E+01 volume   .19143E-02 ppm1      2.726 ppm2      2.284 CV     1
 ASSI { 3955}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      2.200      .600      .600 peak  3955 spectrum    1 weight   .10000E+01 volume   .10673E-01 ppm1      4.128 ppm2      1.210 CV     1
 ASSI { 3962}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      1.800      .400      .400 peak  3962 spectrum    1 weight   .10000E+01 volume   .12099E-01 ppm1      1.870 ppm2      2.252 CV     1
 OR { 3962}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 3965}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      1.800      .400      .400 peak  3965 spectrum    1 weight   .10000E+01 volume   .98211E-02 ppm1      2.215 ppm2      1.892 CV     1
 ASSI { 3976}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.100     1.200     1.200 peak  3976 spectrum    1 weight   .10000E+01 volume   .10832E-02 ppm1       .738 ppm2      3.119 CV     1
 ASSI { 3980}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HB  ))
      2.200      .600      .600 peak  3980 spectrum    1 weight   .10000E+01 volume   .77169E-02 ppm1       .737 ppm2      2.281 CV     1
 ASSI { 3984}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak  3984 spectrum    1 weight   .10000E+01 volume   .12364E-02 ppm1      2.032 ppm2      8.594 CV     1
 ASSI { 3988}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.200      .600      .600 peak  3988 spectrum    1 weight   .10000E+01 volume   .87273E-02 ppm1      4.183 ppm2      1.575 CV     1
 OR { 3988}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG  ))
 OR { 3988}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 3990}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD2%)
      2.600      .800      .800 peak  3990 spectrum    1 weight   .10000E+01 volume   .69560E-02 ppm1      4.183 ppm2       .684 CV     1
 OR { 3990}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD1%)
 ASSI { 3998}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HD1%)
      2.300      .600      .600 peak  3998 spectrum    1 weight   .10000E+01 volume   .87377E-02 ppm1      1.556 ppm2       .709 CV     1
 OR { 3998}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3998}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HD2%)
 OR { 3998}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 48   and name HD1%)
 ASSI { 4000}
   (( segid "    " and resid 48   and name HG  ))
   (  segid "    " and resid 48   and name HD1%)
      2.300      .700      .700 peak  4000 spectrum    1 weight   .10000E+01 volume   .55871E-02 ppm1      1.547 ppm2       .699 CV     1
 OR { 4000}
   (( segid "    " and resid 48   and name HG  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI { 4003}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.100     2.100     1.900 peak  4003 spectrum    1 weight   .10000E+01 volume   .57923E-03 ppm1      3.295 ppm2      1.583 CV     1
 OR { 4003}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HB2 ))
 OR { 4003}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HG  ))
 ASSI { 4005}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 95   and name HD1%)
      3.200     1.300     1.300 peak  4005 spectrum    1 weight   .10000E+01 volume   .14728E-02 ppm1      3.289 ppm2       .759 CV     1
 OR { 4005}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 95   and name HD2%)
 ASSI { 4021}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HG2%)
      2.300      .600      .600 peak  4021 spectrum    1 weight   .10000E+01 volume   .61562E-02 ppm1      1.817 ppm2       .881 CV     1
 OR { 4021}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 4029}
   (( segid "    " and resid 45   and name HG11))
   (( segid "    " and resid 52   and name HA  ))
      4.200     2.200     1.800 peak  4029 spectrum    1 weight   .10000E+01 volume   .70394E-03 ppm1       .813 ppm2      3.995 CV     1
 ASSI { 4030}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      2.500      .800      .800 peak  4030 spectrum    1 weight   .10000E+01 volume   .53844E-02 ppm1      3.792 ppm2       .834 CV     1
 OR { 4030}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG11))
 ASSI { 4031}
   (( segid "    " and resid 45   and name HG11))
   (  segid "    " and resid 56   and name HD2%)
      3.100     1.200     1.200 peak  4031 spectrum    1 weight   .10000E+01 volume   .12182E-02 ppm1       .812 ppm2       .544 CV     1
 ASSI { 4032}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HG11))
      1.800      .400      .400 peak  4032 spectrum    1 weight   .10000E+01 volume   .99897E-02 ppm1      1.637 ppm2       .835 CV     1
 OR { 4032}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 4035}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 56   and name HD2%)
      3.200     1.300     1.300 peak  4035 spectrum    1 weight   .10000E+01 volume   .10052E-02 ppm1      1.634 ppm2       .561 CV     1
 ASSI { 4041}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  4041 spectrum    1 weight   .10000E+01 volume   .49613E-03 ppm1      3.434 ppm2      8.315 CV     1
 ASSI { 4069}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HE3 ))
      3.300     1.400     1.400 peak  4069 spectrum    1 weight   .10000E+01 volume   .96105E-03 ppm1      3.789 ppm2      7.951 CV     1
 ASSI { 4071}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG12))
      4.000     2.000     2.000 peak  4071 spectrum    1 weight   .10000E+01 volume   .87017E-03 ppm1      3.794 ppm2      1.653 CV     1
 ASSI { 4081}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      2.700      .900      .900 peak  4081 spectrum    1 weight   .10000E+01 volume   .12987E-02 ppm1      1.222 ppm2      8.533 CV     1
 ASSI { 4083}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak  4083 spectrum    1 weight   .10000E+01 volume   .91692E-03 ppm1      3.607 ppm2      8.993 CV     1
 ASSI { 4089}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG11))
      2.500      .800      .800 peak  4089 spectrum    1 weight   .10000E+01 volume   .36079E-02 ppm1      3.611 ppm2      1.244 CV     1
 ASSI { 4111}
   (( segid "    " and resid 40   and name HB  ))
   (  segid "    " and resid 40   and name HG1%)
      2.500      .800      .800 peak  4111 spectrum    1 weight   .10000E+01 volume   .38780E-02 ppm1      2.721 ppm2      1.306 CV     1
 OR { 4111}
   (( segid "    " and resid 40   and name HB  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 4125}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 67   and name HA2 ))
      3.300     1.400     1.400 peak  4125 spectrum    1 weight   .10000E+01 volume   .80522E-03 ppm1      1.329 ppm2      4.605 CV     1
 ASSI { 4154}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak  4154 spectrum    1 weight   .10000E+01 volume   .73249E-03 ppm1      4.135 ppm2      8.226 CV     1
 ASSI { 4156}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
      3.100     1.200     1.200 peak  4156 spectrum    1 weight   .10000E+01 volume   .13715E-02 ppm1      4.135 ppm2      1.335 CV     1
 OR { 4156}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 4182}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      4.000     2.000     2.000 peak  4182 spectrum    1 weight   .10000E+01 volume   .47793E-03 ppm1      3.670 ppm2      2.570 CV     1
 ASSI {  417}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.500      .800      .800 peak   417 spectrum    1 weight   .10000E+01 volume   .39977E-02 ppm1      7.809 ppm2      4.307 CV     1
 ASSI {  420}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.400     1.500     1.500 peak   420 spectrum    1 weight   .10000E+01 volume   .12884E-02 ppm1      7.807 ppm2      2.526 CV     1
 ASSI {  430}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   430 spectrum    1 weight   .10000E+01 volume   .63638E-02 ppm1      7.904 ppm2      4.665 CV     1
 ASSI {  434}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   434 spectrum    1 weight   .10000E+01 volume   .13188E-02 ppm1      7.899 ppm2      4.303 CV     1
 ASSI {  441}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.200      .600      .600 peak   441 spectrum    1 weight   .10000E+01 volume   .73634E-02 ppm1      8.079 ppm2      7.885 CV     1
 ASSI {  445}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      2.200      .600      .600 peak   445 spectrum    1 weight   .10000E+01 volume   .60053E-02 ppm1      8.080 ppm2      1.457 CV     1
 ASSI {  452}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HE3 ))
      3.500     1.600     1.600 peak   452 spectrum    1 weight   .10000E+01 volume   .81474E-03 ppm1      8.060 ppm2      7.653 CV     1
 ASSI {  453}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.300      .700      .700 peak   453 spectrum    1 weight   .10000E+01 volume   .86800E-02 ppm1      8.046 ppm2      4.662 CV     1
 ASSI {  465}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HE3 ))
      3.400     3.400     2.600 peak   465 spectrum    1 weight   .10000E+01 volume   .96682E-03 ppm1      7.870 ppm2      7.603 CV     1
 ASSI {  472}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   472 spectrum    1 weight   .10000E+01 volume   .61488E-03 ppm1      7.909 ppm2      1.749 CV     1
 ASSI {  477}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   477 spectrum    1 weight   .10000E+01 volume   .95163E-03 ppm1      7.867 ppm2      1.887 CV     1
 ASSI {  478}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.600     1.600     1.600 peak   478 spectrum    1 weight   .10000E+01 volume   .95163E-03 ppm1      7.871 ppm2      1.787 CV     1
 ASSI {  483}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HG1 ))
      3.500     1.500     1.500 peak   483 spectrum    1 weight   .10000E+01 volume   .14992E-02 ppm1      7.872 ppm2      1.391 CV     1
 OR {  483}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
 ASSI {  492}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.900     1.000     1.000 peak   492 spectrum    1 weight   .10000E+01 volume   .20466E-02 ppm1      7.941 ppm2      4.238 CV     1
 ASSI {  493}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      3.400     1.400     1.400 peak   493 spectrum    1 weight   .10000E+01 volume   .12080E-02 ppm1      7.948 ppm2      4.024 CV     1
 OR {  493}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HG1 ))
      3.500     1.600     1.600 peak   495 spectrum    1 weight   .10000E+01 volume   .13101E-02 ppm1      7.943 ppm2      1.378 CV     1
 OR {  495}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
 ASSI {  496}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak   496 spectrum    1 weight   .10000E+01 volume   .24747E-02 ppm1      7.943 ppm2      1.782 CV     1
 ASSI {  497}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.000     1.100     1.100 peak   497 spectrum    1 weight   .10000E+01 volume   .15665E-02 ppm1      7.947 ppm2      1.885 CV     1
 ASSI {  502}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.800     1.000     1.000 peak   502 spectrum    1 weight   .10000E+01 volume   .38673E-02 ppm1      8.004 ppm2      4.585 CV     1
 ASSI {  504}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.600      .800      .800 peak   504 spectrum    1 weight   .10000E+01 volume   .36457E-02 ppm1      8.002 ppm2      4.392 CV     1
 ASSI {  506}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      2.600      .800      .800 peak   506 spectrum    1 weight   .10000E+01 volume   .51364E-02 ppm1      8.002 ppm2      4.021 CV     1
 OR {  506}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI {  509}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      3.400     1.400     1.400 peak   509 spectrum    1 weight   .10000E+01 volume   .14904E-02 ppm1      8.009 ppm2      2.760 CV     1
 ASSI {  510}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight   .10000E+01 volume   .14904E-02 ppm1      8.011 ppm2      2.679 CV     1
 ASSI {  511}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.500      .800      .800 peak   511 spectrum    1 weight   .10000E+01 volume   .37065E-02 ppm1      8.160 ppm2      8.006 CV     1
 ASSI {  513}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.000     2.000     2.000 peak   513 spectrum    1 weight   .10000E+01 volume   .45408E-03 ppm1      8.160 ppm2      7.751 CV     1
 ASSI {  514}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.700      .900      .900 peak   514 spectrum    1 weight   .10000E+01 volume   .32916E-02 ppm1      8.161 ppm2      4.583 CV     1
 ASSI {  515}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight   .10000E+01 volume   .11254E-02 ppm1      8.163 ppm2      4.162 CV     1
 ASSI {  516}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight   .10000E+01 volume   .24095E-02 ppm1      8.158 ppm2      4.022 CV     1
 ASSI {  519}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.300     1.400     1.400 peak   519 spectrum    1 weight   .10000E+01 volume   .26181E-02 ppm1      8.163 ppm2      1.931 CV     1
 ASSI {  521}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.600      .900      .900 peak   521 spectrum    1 weight   .10000E+01 volume   .18945E-02 ppm1      8.163 ppm2      1.713 CV     1
 ASSI {  523}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.600     2.600     1.400 peak   523 spectrum    1 weight   .10000E+01 volume   .54318E-03 ppm1      8.163 ppm2      1.523 CV     1
 ASSI {  531}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak   531 spectrum    1 weight   .10000E+01 volume   .17229E-02 ppm1      8.055 ppm2      4.126 CV     1
 ASSI {  537}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.300      .700      .700 peak   537 spectrum    1 weight   .10000E+01 volume   .48493E-02 ppm1      8.053 ppm2      1.942 CV     1
 ASSI {  538}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.400      .700      .700 peak   538 spectrum    1 weight   .10000E+01 volume   .57794E-02 ppm1      8.054 ppm2      1.716 CV     1
 ASSI {  541}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400      .700      .700 peak   541 spectrum    1 weight   .10000E+01 volume   .39912E-02 ppm1      7.778 ppm2      8.060 CV     1
 ASSI {  546}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.300     1.300 peak   546 spectrum    1 weight   .10000E+01 volume   .11602E-02 ppm1      7.778 ppm2      3.559 CV     1
 ASSI {  548}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      4.100     2.100     1.900 peak   548 spectrum    1 weight   .10000E+01 volume   .89078E-03 ppm1      7.771 ppm2      2.255 CV     1
 OR {  548}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  550}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.200      .600      .600 peak   550 spectrum    1 weight   .10000E+01 volume   .49124E-02 ppm1      7.775 ppm2      1.978 CV     1
 ASSI {  551}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.100     1.200     1.200 peak   551 spectrum    1 weight   .10000E+01 volume   .23921E-02 ppm1      7.779 ppm2      1.781 CV     1
 ASSI {  558}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak   558 spectrum    1 weight   .10000E+01 volume   .19119E-02 ppm1      8.105 ppm2      8.353 CV     1
 ASSI {  561}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.500      .800      .800 peak   561 spectrum    1 weight   .10000E+01 volume   .30960E-02 ppm1      8.108 ppm2      7.750 CV     1
 ASSI {  563}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.300     1.400     1.400 peak   563 spectrum    1 weight   .10000E+01 volume   .17925E-02 ppm1      8.107 ppm2      3.007 CV     1
 ASSI {  565}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.800     1.000     1.000 peak   565 spectrum    1 weight   .10000E+01 volume   .14731E-02 ppm1      8.107 ppm2      2.819 CV     1
 ASSI {  566}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.200      .600      .600 peak   566 spectrum    1 weight   .10000E+01 volume   .72154E-02 ppm1      8.109 ppm2      1.976 CV     1
 OR {  566}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
 ASSI {  567}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HD1 ))
      3.000     1.100     1.100 peak   567 spectrum    1 weight   .10000E+01 volume   .31286E-02 ppm1      8.108 ppm2      1.698 CV     1
 OR {  567}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HD2 ))
 ASSI {  572}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.700      .900      .900 peak   572 spectrum    1 weight   .10000E+01 volume   .26984E-02 ppm1      8.371 ppm2      4.213 CV     1
 ASSI {  573}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight   .10000E+01 volume   .45408E-03 ppm1      8.374 ppm2      4.075 CV     1
 ASSI {  574}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   574 spectrum    1 weight   .10000E+01 volume   .13774E-02 ppm1      8.374 ppm2      3.700 CV     1
 ASSI {  576}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.600     1.600     1.600 peak   576 spectrum    1 weight   .10000E+01 volume   .57360E-03 ppm1      8.368 ppm2      3.558 CV     1
 ASSI {  577}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.400      .700      .700 peak   577 spectrum    1 weight   .10000E+01 volume   .35349E-02 ppm1      8.371 ppm2      3.009 CV     1
 ASSI {  578}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.200     1.300     1.300 peak   578 spectrum    1 weight   .10000E+01 volume   .23790E-02 ppm1      8.372 ppm2      2.819 CV     1
 ASSI {  579}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      2.500      .800      .800 peak   579 spectrum    1 weight   .10000E+01 volume   .30004E-02 ppm1      8.373 ppm2      1.745 CV     1
 ASSI {  589}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500      .800      .800 peak   589 spectrum    1 weight   .10000E+01 volume   .34502E-02 ppm1      8.297 ppm2      8.397 CV     1
 ASSI {  590}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700      .900      .900 peak   590 spectrum    1 weight   .10000E+01 volume   .23986E-02 ppm1      8.289 ppm2      7.795 CV     1
 ASSI {  593}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.500     1.500 peak   593 spectrum    1 weight   .10000E+01 volume   .78649E-03 ppm1      8.294 ppm2      4.072 CV     1
 ASSI {  595}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.800     1.000     1.000 peak   595 spectrum    1 weight   .10000E+01 volume   .20206E-02 ppm1      8.291 ppm2      3.559 CV     1
 ASSI {  598}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      2.300      .700      .700 peak   598 spectrum    1 weight   .10000E+01 volume   .53317E-02 ppm1      8.291 ppm2      1.742 CV     1
 ASSI {  600}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG12))
      3.200     1.300     1.300 peak   600 spectrum    1 weight   .10000E+01 volume   .31851E-02 ppm1      8.291 ppm2      1.566 CV     1
 ASSI {  601}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG11))
      2.600      .800      .800 peak   601 spectrum    1 weight   .10000E+01 volume   .20336E-02 ppm1      8.289 ppm2       .678 CV     1
 ASSI {  602}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HG2%)
      3.600     1.600     1.600 peak   602 spectrum    1 weight   .10000E+01 volume   .21031E-02 ppm1      8.288 ppm2       .566 CV     1
 ASSI {  603}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
      3.500     1.600     1.600 peak   603 spectrum    1 weight   .10000E+01 volume   .13623E-02 ppm1      8.288 ppm2       .256 CV     1
 ASSI {  606}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600      .900      .900 peak   606 spectrum    1 weight   .10000E+01 volume   .28157E-02 ppm1      7.827 ppm2      8.443 CV     1
 ASSI {  609}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   609 spectrum    1 weight   .10000E+01 volume   .12058E-02 ppm1      7.828 ppm2      4.448 CV     1
 ASSI {  613}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.300     1.400     1.400 peak   613 spectrum    1 weight   .10000E+01 volume   .10624E-02 ppm1      7.826 ppm2      3.699 CV     1
 ASSI {  616}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      2.400      .700      .700 peak   616 spectrum    1 weight   .10000E+01 volume   .36587E-02 ppm1      7.828 ppm2      2.009 CV     1
 ASSI {  617}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG  ))
      2.600      .800      .800 peak   617 spectrum    1 weight   .10000E+01 volume   .40368E-02 ppm1      7.827 ppm2      1.840 CV     1
 ASSI {  618}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.100     1.200     1.200 peak   618 spectrum    1 weight   .10000E+01 volume   .34089E-02 ppm1      7.827 ppm2      1.729 CV     1
 ASSI {  624}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HD2%)
      3.600     1.700     1.700 peak   624 spectrum    1 weight   .10000E+01 volume   .16838E-02 ppm1      7.829 ppm2       .731 CV     1
 ASSI {  630}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      2.300      .700      .700 peak   630 spectrum    1 weight   .10000E+01 volume   .47385E-02 ppm1      8.466 ppm2      2.024 CV     1
 ASSI {  637}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      3.700     1.700     1.700 peak   637 spectrum    1 weight   .10000E+01 volume   .19250E-02 ppm1      8.460 ppm2       .938 CV     1
 ASSI {  638}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.900     1.900     1.900 peak   638 spectrum    1 weight   .10000E+01 volume   .42367E-03 ppm1      8.705 ppm2      4.446 CV     1
 ASSI {  641}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak   641 spectrum    1 weight   .10000E+01 volume   .97550E-03 ppm1      8.711 ppm2      3.653 CV     1
 ASSI {  642}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.700     1.700     1.700 peak   642 spectrum    1 weight   .10000E+01 volume   .16882E-02 ppm1      8.710 ppm2      3.266 CV     1
 ASSI {  643}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.800     1.000     1.000 peak   643 spectrum    1 weight   .10000E+01 volume   .11646E-02 ppm1      8.705 ppm2      3.144 CV     1
 ASSI {  646}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.300      .700      .700 peak   646 spectrum    1 weight   .10000E+01 volume   .50777E-02 ppm1      8.711 ppm2      2.067 CV     1
 OR {  646}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
 ASSI {  651}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700      .900      .900 peak   651 spectrum    1 weight   .10000E+01 volume   .24008E-02 ppm1      8.467 ppm2      8.678 CV     1
 ASSI {  652}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.500      .800      .800 peak   652 spectrum    1 weight   .10000E+01 volume   .30786E-02 ppm1      8.468 ppm2      7.284 CV     1
 ASSI {  653}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.700      .900      .900 peak   653 spectrum    1 weight   .10000E+01 volume   .26637E-02 ppm1      8.470 ppm2      4.443 CV     1
 ASSI {  657}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak   657 spectrum    1 weight   .10000E+01 volume   .17251E-02 ppm1      8.467 ppm2      3.898 CV     1
 ASSI {  659}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.400      .700      .700 peak   659 spectrum    1 weight   .10000E+01 volume   .53336E-02 ppm1      8.471 ppm2      3.143 CV     1
 ASSI {  660}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.400      .700      .700 peak   660 spectrum    1 weight   .10000E+01 volume   .42323E-02 ppm1      8.471 ppm2      3.274 CV     1
 ASSI {  666}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.700     1.800     1.800 peak   666 spectrum    1 weight   .10000E+01 volume   .93640E-03 ppm1      8.467 ppm2      1.375 CV     1
 ASSI {  672}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight   .10000E+01 volume   .11298E-02 ppm1      8.586 ppm2      3.793 CV     1
 ASSI {  674}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.600      .800      .800 peak   674 spectrum    1 weight   .10000E+01 volume   .33828E-02 ppm1      7.311 ppm2      3.905 CV     1
 ASSI {  677}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      2.100      .600      .600 peak   677 spectrum    1 weight   .10000E+01 volume   .71178E-02 ppm1      7.311 ppm2      1.902 CV     1
 ASSI {  680}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.900     1.900     1.900 peak   680 spectrum    1 weight   .10000E+01 volume   .10689E-02 ppm1      7.308 ppm2      1.374 CV     1
 ASSI {  690}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.600      .900      .900 peak   690 spectrum    1 weight   .10000E+01 volume   .24812E-02 ppm1      8.396 ppm2      7.282 CV     1
 ASSI {  691}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   691 spectrum    1 weight   .10000E+01 volume   .10385E-02 ppm1      8.398 ppm2      4.390 CV     1
 ASSI {  692}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.500     1.500 peak   692 spectrum    1 weight   .10000E+01 volume   .74521E-03 ppm1      8.398 ppm2      4.027 CV     1
 ASSI {  700}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
      3.200     1.300     1.300 peak   700 spectrum    1 weight   .10000E+01 volume   .32068E-02 ppm1      8.395 ppm2       .882 CV     1
 ASSI {  701}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.200      .600      .600 peak   701 spectrum    1 weight   .10000E+01 volume   .73634E-02 ppm1      8.095 ppm2      7.854 CV     1
 ASSI {  704}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.600      .900      .900 peak   704 spectrum    1 weight   .10000E+01 volume   .33416E-02 ppm1      8.097 ppm2      4.034 CV     1
 ASSI {  712}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.400      .700      .700 peak   712 spectrum    1 weight   .10000E+01 volume   .39998E-02 ppm1      8.095 ppm2      1.684 CV     1
 ASSI {  718}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.100     2.100     1.900 peak   718 spectrum    1 weight   .10000E+01 volume   .75828E-03 ppm1      9.649 ppm2      1.843 CV     1
 ASSI {  721}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.600      .900      .900 peak   721 spectrum    1 weight   .10000E+01 volume   .32916E-02 ppm1      7.878 ppm2      3.885 CV     1
 ASSI {  723}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.700      .900      .900 peak   723 spectrum    1 weight   .10000E+01 volume   .23725E-02 ppm1      7.879 ppm2      2.951 CV     1
 ASSI {  725}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.000     1.200     1.200 peak   725 spectrum    1 weight   .10000E+01 volume   .16251E-02 ppm1      7.881 ppm2      2.772 CV     1
 ASSI {  727}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.300      .700      .700 peak   727 spectrum    1 weight   .10000E+01 volume   .39021E-02 ppm1      7.881 ppm2      1.835 CV     1
 ASSI {  729}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.800     1.000     1.000 peak   729 spectrum    1 weight   .10000E+01 volume   .34697E-02 ppm1      7.878 ppm2      1.685 CV     1
 ASSI {  731}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700      .900      .900 peak   731 spectrum    1 weight   .10000E+01 volume   .21401E-02 ppm1      8.109 ppm2      8.351 CV     1
 ASSI {  734}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.400      .700      .700 peak   734 spectrum    1 weight   .10000E+01 volume   .50841E-02 ppm1      8.108 ppm2      7.840 CV     1
 ASSI {  736}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.600     1.600     1.600 peak   736 spectrum    1 weight   .10000E+01 volume   .10907E-02 ppm1      8.108 ppm2      4.632 CV     1
 ASSI {  737}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.500      .800      .800 peak   737 spectrum    1 weight   .10000E+01 volume   .39738E-02 ppm1      8.109 ppm2      4.390 CV     1
 ASSI {  738}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   738 spectrum    1 weight   .10000E+01 volume   .11884E-02 ppm1      8.115 ppm2      3.921 CV     1
 ASSI {  741}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.100      .600      .600 peak   741 spectrum    1 weight   .10000E+01 volume   .68263E-02 ppm1      8.109 ppm2      2.952 CV     1
 ASSI {  742}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.200     1.300     1.300 peak   742 spectrum    1 weight   .10000E+01 volume   .42910E-02 ppm1      8.109 ppm2      2.773 CV     1
 ASSI {  744}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.200     1.300     1.300 peak   744 spectrum    1 weight   .10000E+01 volume   .25898E-02 ppm1      8.109 ppm2      1.737 CV     1
 ASSI {  745}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.600      .900      .900 peak   745 spectrum    1 weight   .10000E+01 volume   .21944E-02 ppm1      8.109 ppm2      1.620 CV     1
 ASSI {  754}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.700      .900      .900 peak   754 spectrum    1 weight   .10000E+01 volume   .25181E-02 ppm1      7.293 ppm2      4.629 CV     1
 ASSI {  755}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.000     2.000     2.000 peak   755 spectrum    1 weight   .10000E+01 volume   .67134E-03 ppm1      7.292 ppm2      8.353 CV     1
 ASSI {  757}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      3.400     1.500     1.500 peak   757 spectrum    1 weight   .10000E+01 volume   .10538E-02 ppm1      7.293 ppm2      4.259 CV     1
 ASSI {  760}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.200     2.200     1.800 peak   760 spectrum    1 weight   .10000E+01 volume   .12254E-02 ppm1      7.297 ppm2      3.231 CV     1
 ASSI {  761}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      3.400     1.500     1.500 peak   761 spectrum    1 weight   .10000E+01 volume   .12189E-02 ppm1      7.301 ppm2      3.558 CV     1
 ASSI {  762}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.400      .700      .700 peak   762 spectrum    1 weight   .10000E+01 volume   .33785E-02 ppm1      7.294 ppm2      3.068 CV     1
 ASSI {  763}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.300     1.300     1.300 peak   763 spectrum    1 weight   .10000E+01 volume   .10885E-02 ppm1      7.297 ppm2      2.916 CV     1
 ASSI {  764}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight   .10000E+01 volume   .42780E-02 ppm1      7.295 ppm2      2.674 CV     1
 ASSI {  768}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak   768 spectrum    1 weight   .10000E+01 volume   .46712E-03 ppm1      8.359 ppm2      7.841 CV     1
 ASSI {  769}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.100      .500      .500 peak   769 spectrum    1 weight   .10000E+01 volume   .10311E-01 ppm1      8.363 ppm2      4.629 CV     1
 ASSI {  771}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.600      .900      .900 peak   771 spectrum    1 weight   .10000E+01 volume   .29939E-02 ppm1      8.364 ppm2      3.929 CV     1
 ASSI {  772}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      4.400     2.500     1.600 peak   772 spectrum    1 weight   .10000E+01 volume   .62139E-03 ppm1      8.360 ppm2      3.096 CV     1
 ASSI {  773}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.800     1.800     1.800 peak   773 spectrum    1 weight   .10000E+01 volume   .75389E-03 ppm1      8.367 ppm2      2.674 CV     1
 ASSI {  775}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.500      .800      .800 peak   775 spectrum    1 weight   .10000E+01 volume   .49342E-02 ppm1      8.362 ppm2      1.610 CV     1
 ASSI {  777}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.300      .700      .700 peak   777 spectrum    1 weight   .10000E+01 volume   .48037E-02 ppm1      8.363 ppm2      1.734 CV     1
 ASSI {  782}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.400      .700      .700 peak   782 spectrum    1 weight   .10000E+01 volume   .24920E-02 ppm1      8.539 ppm2      7.278 CV     1
 ASSI {  783}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.700      .900      .900 peak   783 spectrum    1 weight   .10000E+01 volume   .32068E-02 ppm1      8.540 ppm2      4.416 CV     1
 ASSI {  784}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      2.500      .800      .800 peak   784 spectrum    1 weight   .10000E+01 volume   .31156E-02 ppm1      8.539 ppm2      4.267 CV     1
 ASSI {  786}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      2.600      .800      .800 peak   786 spectrum    1 weight   .10000E+01 volume   .44474E-02 ppm1      8.543 ppm2      3.554 CV     1
 ASSI {  791}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.500     1.600     1.600 peak   791 spectrum    1 weight   .10000E+01 volume   .77564E-03 ppm1      8.533 ppm2      2.252 CV     1
 ASSI {  793}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.600      .800      .800 peak   793 spectrum    1 weight   .10000E+01 volume   .27332E-02 ppm1      8.131 ppm2      8.524 CV     1
 ASSI {  800}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.200     2.200     1.800 peak   800 spectrum    1 weight   .10000E+01 volume   .78649E-03 ppm1      8.132 ppm2      3.232 CV     1
 ASSI {  801}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak   801 spectrum    1 weight   .10000E+01 volume   .11059E-02 ppm1      8.139 ppm2      3.048 CV     1
 ASSI {  803}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.200     1.200     1.200 peak   803 spectrum    1 weight   .10000E+01 volume   .79738E-03 ppm1      8.131 ppm2      2.909 CV     1
 ASSI {  804}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     1.300     1.300 peak   804 spectrum    1 weight   .10000E+01 volume   .19054E-02 ppm1      8.134 ppm2      2.452 CV     1
 ASSI {  806}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.600     1.600     1.600 peak   806 spectrum    1 weight   .10000E+01 volume   .15187E-02 ppm1      7.280 ppm2      8.114 CV     1
 ASSI {  808}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.100     1.100 peak   808 spectrum    1 weight   .10000E+01 volume   .16686E-02 ppm1      7.288 ppm2      4.440 CV     1
 ASSI {  810}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak   810 spectrum    1 weight   .10000E+01 volume   .11428E-02 ppm1      7.278 ppm2      3.228 CV     1
 ASSI {  812}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.100     1.200     1.200 peak   812 spectrum    1 weight   .10000E+01 volume   .21183E-02 ppm1      7.278 ppm2      2.913 CV     1
 ASSI {  819}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500      .800      .800 peak   819 spectrum    1 weight   .10000E+01 volume   .34719E-02 ppm1      8.304 ppm2      8.907 CV     1
 ASSI {  822}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   822 spectrum    1 weight   .10000E+01 volume   .97116E-03 ppm1      8.303 ppm2      3.561 CV     1
 ASSI {  824}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.100      .600      .600 peak   824 spectrum    1 weight   .10000E+01 volume   .68135E-02 ppm1      8.304 ppm2      2.906 CV     1
 ASSI {  827}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.200     1.200 peak   827 spectrum    1 weight   .10000E+01 volume   .30721E-02 ppm1      8.305 ppm2      2.166 CV     1
 ASSI {  830}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.400      .700      .700 peak   830 spectrum    1 weight   .10000E+01 volume   .37153E-02 ppm1      8.305 ppm2      1.905 CV     1
 ASSI {  838}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.600     1.600 peak   838 spectrum    1 weight   .10000E+01 volume   .64092E-03 ppm1      8.924 ppm2      4.114 CV     1
 ASSI {  840}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   840 spectrum    1 weight   .10000E+01 volume   .21813E-02 ppm1      8.921 ppm2      3.563 CV     1
 ASSI {  841}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak   841 spectrum    1 weight   .10000E+01 volume   .19141E-02 ppm1      8.921 ppm2      3.429 CV     1
 ASSI {  843}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.300     1.300     1.300 peak   843 spectrum    1 weight   .10000E+01 volume   .12471E-02 ppm1      8.922 ppm2      2.819 CV     1
 ASSI {  844}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.400      .700      .700 peak   844 spectrum    1 weight   .10000E+01 volume   .30374E-02 ppm1      8.919 ppm2      2.162 CV     1
 ASSI {  849}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600      .800      .800 peak   849 spectrum    1 weight   .10000E+01 volume   .31395E-02 ppm1      8.069 ppm2      8.902 CV     1
 ASSI {  851}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500      .800      .800 peak   851 spectrum    1 weight   .10000E+01 volume   .39260E-02 ppm1      8.070 ppm2      7.330 CV     1
 ASSI {  853}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak   853 spectrum    1 weight   .10000E+01 volume   .23617E-02 ppm1      8.070 ppm2      4.108 CV     1
 ASSI {  854}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   854 spectrum    1 weight   .10000E+01 volume   .17772E-02 ppm1      8.068 ppm2      3.937 CV     1
 ASSI {  855}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak   855 spectrum    1 weight   .10000E+01 volume   .10146E-02 ppm1      8.062 ppm2      4.440 CV     1
 ASSI {  856}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500      .800      .800 peak   856 spectrum    1 weight   .10000E+01 volume   .35132E-02 ppm1      8.071 ppm2      3.427 CV     1
 ASSI {  858}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak   858 spectrum    1 weight   .10000E+01 volume   .24269E-02 ppm1      8.069 ppm2      3.094 CV     1
 ASSI {  860}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.100     1.100 peak   860 spectrum    1 weight   .10000E+01 volume   .34849E-02 ppm1      8.071 ppm2      2.807 CV     1
 ASSI {  871}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   871 spectrum    1 weight   .10000E+01 volume   .17142E-02 ppm1      7.363 ppm2      4.441 CV     1
 ASSI {  874}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   874 spectrum    1 weight   .10000E+01 volume   .11015E-02 ppm1      7.350 ppm2      3.936 CV     1
 ASSI {  875}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700      .900      .900 peak   875 spectrum    1 weight   .10000E+01 volume   .18055E-02 ppm1      7.350 ppm2      3.089 CV     1
 ASSI {  876}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.400     1.400 peak   876 spectrum    1 weight   .10000E+01 volume   .15339E-02 ppm1      7.356 ppm2      2.773 CV     1
 ASSI {  878}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.800     1.800     1.800 peak   878 spectrum    1 weight   .10000E+01 volume   .74304E-03 ppm1      7.355 ppm2      2.169 CV     1
 ASSI {  880}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.900     1.000     1.000 peak   880 spectrum    1 weight   .10000E+01 volume   .12840E-02 ppm1      7.356 ppm2      2.028 CV     1
 ASSI {  884}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak   884 spectrum    1 weight   .10000E+01 volume   .98206E-03 ppm1      8.810 ppm2      7.328 CV     1
 ASSI {  889}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   889 spectrum    1 weight   .10000E+01 volume   .16882E-02 ppm1      8.805 ppm2      2.028 CV     1
 ASSI {  892}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.600     1.700     1.700 peak   892 spectrum    1 weight   .10000E+01 volume   .75828E-03 ppm1      8.813 ppm2      1.874 CV     1
 ASSI {  894}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.500     1.500     1.500 peak   894 spectrum    1 weight   .10000E+01 volume   .61922E-03 ppm1      8.813 ppm2      1.558 CV     1
 ASSI {  898}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700      .900      .900 peak   898 spectrum    1 weight   .10000E+01 volume   .28157E-02 ppm1      9.290 ppm2      4.490 CV     1
 ASSI {  900}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.400     1.400     1.400 peak   900 spectrum    1 weight   .10000E+01 volume   .88644E-03 ppm1      9.289 ppm2      3.321 CV     1
 OR {  900}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  901}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     1.300     1.300 peak   901 spectrum    1 weight   .10000E+01 volume   .89295E-03 ppm1      9.291 ppm2      3.097 CV     1
 ASSI {  911}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700      .900      .900 peak   911 spectrum    1 weight   .10000E+01 volume   .24181E-02 ppm1      7.191 ppm2      7.335 CV     1
 ASSI {  912}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   912 spectrum    1 weight   .10000E+01 volume   .11406E-02 ppm1      7.190 ppm2      4.492 CV     1
 ASSI {  918}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG  ))
      2.700      .900      .900 peak   918 spectrum    1 weight   .10000E+01 volume   .24920E-02 ppm1      7.196 ppm2      2.034 CV     1
 ASSI {  930}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak   930 spectrum    1 weight   .10000E+01 volume   .15295E-02 ppm1      7.340 ppm2      1.937 CV     1
 ASSI {  937}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak   937 spectrum    1 weight   .10000E+01 volume   .88427E-03 ppm1      7.477 ppm2      4.347 CV     1
 ASSI {  939}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      2.600      .800      .800 peak   939 spectrum    1 weight   .10000E+01 volume   .23182E-02 ppm1      7.481 ppm2      3.560 CV     1
 ASSI {  944}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.300     1.300     1.300 peak   944 spectrum    1 weight   .10000E+01 volume   .11537E-02 ppm1      7.482 ppm2      1.101 CV     1
 ASSI {  951}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   951 spectrum    1 weight   .10000E+01 volume   .14296E-02 ppm1      7.553 ppm2      8.287 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.800     1.800 peak   955 spectrum    1 weight   .10000E+01 volume   .66483E-03 ppm1      7.559 ppm2      2.715 CV     1
 ASSI {  956}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.900     1.900     1.900 peak   956 spectrum    1 weight   .10000E+01 volume   .44322E-03 ppm1      7.560 ppm2      2.543 CV     1
 ASSI {  957}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600      .800      .800 peak   957 spectrum    1 weight   .10000E+01 volume   .28766E-02 ppm1      7.552 ppm2      1.881 CV     1
 ASSI {  963}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak   963 spectrum    1 weight   .10000E+01 volume   .16990E-02 ppm1      8.297 ppm2      8.120 CV     1
 ASSI {  967}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
      3.700     1.700     1.700 peak   967 spectrum    1 weight   .10000E+01 volume   .13188E-02 ppm1      7.548 ppm2      1.091 CV     1
 ASSI {  972}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight   .10000E+01 volume   .23552E-02 ppm1      8.296 ppm2      4.370 CV     1
 ASSI {  974}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      3.200     1.200     1.200 peak   974 spectrum    1 weight   .10000E+01 volume   .91253E-03 ppm1      8.296 ppm2      3.561 CV     1
 ASSI {  986}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.500      .800      .800 peak   986 spectrum    1 weight   .10000E+01 volume   .33654E-02 ppm1      8.109 ppm2      4.257 CV     1
 ASSI {  988}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      2.600      .800      .800 peak   988 spectrum    1 weight   .10000E+01 volume   .24616E-02 ppm1      8.108 ppm2      3.562 CV     1
 ASSI {  989}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.100     1.200     1.200 peak   989 spectrum    1 weight   .10000E+01 volume   .14144E-02 ppm1      8.109 ppm2      3.379 CV     1
 OR {  989}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  990}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      3.100     1.200     1.200 peak   990 spectrum    1 weight   .10000E+01 volume   .36023E-02 ppm1      8.108 ppm2      2.672 CV     1
 ASSI {  991}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.000     1.100     1.100 peak   991 spectrum    1 weight   .10000E+01 volume   .14513E-02 ppm1      8.109 ppm2      1.339 CV     1
 ASSI {  998}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.600      .800      .800 peak   998 spectrum    1 weight   .10000E+01 volume   .37978E-02 ppm1      7.754 ppm2      4.259 CV     1
 ASSI { 1000}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.700      .900      .900 peak  1000 spectrum    1 weight   .10000E+01 volume   .30917E-02 ppm1      7.755 ppm2      3.977 CV     1
 ASSI { 1004}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      2.500      .800      .800 peak  1004 spectrum    1 weight   .10000E+01 volume   .39521E-02 ppm1      7.758 ppm2      2.212 CV     1
 ASSI { 1005}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG12))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight   .10000E+01 volume   .29852E-02 ppm1      7.754 ppm2      1.593 CV     1
 ASSI { 1010}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak  1010 spectrum    1 weight   .10000E+01 volume   .28266E-02 ppm1      7.946 ppm2      7.746 CV     1
 ASSI { 1012}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  1012 spectrum    1 weight   .10000E+01 volume   .30526E-02 ppm1      7.947 ppm2      7.556 CV     1
 ASSI { 1013}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300      .700      .700 peak  1013 spectrum    1 weight   .10000E+01 volume   .76045E-02 ppm1      7.949 ppm2      4.260 CV     1
 ASSI { 1014}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1014 spectrum    1 weight   .10000E+01 volume   .12428E-02 ppm1      7.948 ppm2      4.720 CV     1
 ASSI { 1016}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.000     1.200     1.200 peak  1016 spectrum    1 weight   .10000E+01 volume   .11623E-02 ppm1      7.946 ppm2      3.056 CV     1
 ASSI { 1020}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.400     1.400     1.400 peak  1020 spectrum    1 weight   .10000E+01 volume   .16317E-02 ppm1      7.945 ppm2      2.485 CV     1
 ASSI { 1027}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1027 spectrum    1 weight   .10000E+01 volume   .16382E-02 ppm1      7.571 ppm2      4.722 CV     1
 ASSI { 1031}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.400     1.400     1.400 peak  1031 spectrum    1 weight   .10000E+01 volume   .24855E-02 ppm1      7.573 ppm2      2.533 CV     1
 ASSI { 1039}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  1039 spectrum    1 weight   .10000E+01 volume   .13188E-02 ppm1      8.623 ppm2      7.555 CV     1
 ASSI { 1043}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600      .800      .800 peak  1043 spectrum    1 weight   .10000E+01 volume   .22379E-02 ppm1      8.623 ppm2      2.162 CV     1
 ASSI { 1050}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.300      .700      .700 peak  1050 spectrum    1 weight   .10000E+01 volume   .33850E-02 ppm1      8.628 ppm2      2.033 CV     1
 ASSI { 1051}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight   .10000E+01 volume   .11254E-02 ppm1      8.611 ppm2      1.372 CV     1
 ASSI { 1057}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.500      .800      .800 peak  1057 spectrum    1 weight   .10000E+01 volume   .23226E-02 ppm1      8.574 ppm2      2.321 CV     1
 ASSI { 1058}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.600      .900      .900 peak  1058 spectrum    1 weight   .10000E+01 volume   .29809E-02 ppm1      8.588 ppm2      2.168 CV     1
 OR { 1058}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI { 1062}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  1062 spectrum    1 weight   .10000E+01 volume   .19923E-02 ppm1      7.584 ppm2      7.101 CV     1
 ASSI { 1065}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  1065 spectrum    1 weight   .10000E+01 volume   .12015E-02 ppm1      7.579 ppm2      3.230 CV     1
 ASSI { 1066}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.400      .700      .700 peak  1066 spectrum    1 weight   .10000E+01 volume   .41650E-02 ppm1      7.582 ppm2      2.168 CV     1
 OR { 1066}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI { 1068}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.600     1.600     1.600 peak  1068 spectrum    1 weight   .10000E+01 volume   .56488E-03 ppm1      7.587 ppm2      3.798 CV     1
 ASSI { 1071}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.500     1.500     1.500 peak  1071 spectrum    1 weight   .10000E+01 volume   .98206E-03 ppm1      7.570 ppm2      3.002 CV     1
 ASSI { 1079}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak  1079 spectrum    1 weight   .10000E+01 volume   .13862E-02 ppm1      7.130 ppm2      3.223 CV     1
 ASSI { 1081}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.500     1.600     1.600 peak  1081 spectrum    1 weight   .10000E+01 volume   .77347E-03 ppm1      7.129 ppm2      2.724 CV     1
 ASSI { 1088}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak  1088 spectrum    1 weight   .10000E+01 volume   .14817E-02 ppm1      8.956 ppm2      7.101 CV     1
 ASSI { 1094}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1094 spectrum    1 weight   .10000E+01 volume   .54535E-03 ppm1      8.967 ppm2      4.215 CV     1
 ASSI { 1096}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak  1096 spectrum    1 weight   .10000E+01 volume   .26811E-02 ppm1      8.952 ppm2      1.710 CV     1
 ASSI { 1098}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.800     1.000     1.000 peak  1098 spectrum    1 weight   .10000E+01 volume   .15882E-02 ppm1      8.955 ppm2      1.326 CV     1
 ASSI { 1100}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      4.100     2.100     1.900 peak  1100 spectrum    1 weight   .10000E+01 volume   .72785E-03 ppm1      8.956 ppm2       .257 CV     1
 ASSI { 1104}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600      .900      .900 peak  1104 spectrum    1 weight   .10000E+01 volume   .17294E-02 ppm1      7.786 ppm2      7.000 CV     1
 ASSI { 1105}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak  1105 spectrum    1 weight   .10000E+01 volume   .19554E-02 ppm1      7.784 ppm2      4.636 CV     1
 ASSI { 1108}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.300      .700      .700 peak  1108 spectrum    1 weight   .10000E+01 volume   .33242E-02 ppm1      7.784 ppm2      3.098 CV     1
 ASSI { 1110}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.900     1.100     1.100 peak  1110 spectrum    1 weight   .10000E+01 volume   .31764E-02 ppm1      7.784 ppm2      2.727 CV     1
 ASSI { 1127}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  1127 spectrum    1 weight   .10000E+01 volume   .13188E-02 ppm1      9.140 ppm2      7.002 CV     1
 ASSI { 1128}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.500      .800      .800 peak  1128 spectrum    1 weight   .10000E+01 volume   .48515E-02 ppm1      9.147 ppm2      4.483 CV     1
 ASSI { 1131}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.600      .800      .800 peak  1131 spectrum    1 weight   .10000E+01 volume   .32155E-02 ppm1      9.147 ppm2      2.066 CV     1
 OR { 1131}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1141}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600      .800      .800 peak  1141 spectrum    1 weight   .10000E+01 volume   .43649E-02 ppm1      8.445 ppm2      4.599 CV     1
 ASSI { 1142}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak  1142 spectrum    1 weight   .10000E+01 volume   .12623E-02 ppm1      8.439 ppm2      4.477 CV     1
 ASSI { 1144}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.500     1.500 peak  1144 spectrum    1 weight   .10000E+01 volume   .10581E-02 ppm1      8.443 ppm2      3.103 CV     1
 ASSI { 1149}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG1%)
      3.500     1.500     1.500 peak  1149 spectrum    1 weight   .10000E+01 volume   .15404E-02 ppm1      8.444 ppm2       .532 CV     1
 ASSI { 1152}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.100     1.100 peak  1152 spectrum    1 weight   .10000E+01 volume   .17251E-02 ppm1      7.236 ppm2      8.313 CV     1
 ASSI { 1154}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  1154 spectrum    1 weight   .10000E+01 volume   .12710E-02 ppm1      7.229 ppm2      6.716 CV     1
 ASSI { 1163}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      3.700     1.700     1.700 peak  1163 spectrum    1 weight   .10000E+01 volume   .13318E-02 ppm1      7.225 ppm2      1.933 CV     1
 ASSI { 1169}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.600     1.600     1.600 peak  1169 spectrum    1 weight   .10000E+01 volume   .79738E-03 ppm1      8.348 ppm2      3.284 CV     1
 ASSI { 1176}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak  1176 spectrum    1 weight   .10000E+01 volume   .19467E-02 ppm1      8.063 ppm2      8.315 CV     1
 ASSI { 1178}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.000     1.000 peak  1178 spectrum    1 weight   .10000E+01 volume   .17511E-02 ppm1      8.064 ppm2      7.568 CV     1
 ASSI { 1181}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  1181 spectrum    1 weight   .10000E+01 volume   .17772E-02 ppm1      8.066 ppm2      4.071 CV     1
 ASSI { 1183}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      3.100     1.200     1.200 peak  1183 spectrum    1 weight   .10000E+01 volume   .16686E-02 ppm1      8.068 ppm2      3.282 CV     1
 ASSI { 1185}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.200     2.200     1.800 peak  1185 spectrum    1 weight   .10000E+01 volume   .75606E-03 ppm1      8.064 ppm2      1.553 CV     1
 OR { 1185}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1187}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak  1187 spectrum    1 weight   .10000E+01 volume   .14709E-02 ppm1      7.593 ppm2      8.573 CV     1
 ASSI { 1192}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak  1192 spectrum    1 weight   .10000E+01 volume   .85168E-03 ppm1      7.596 ppm2      3.635 CV     1
 ASSI { 1194}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600      .800      .800 peak  1194 spectrum    1 weight   .10000E+01 volume   .35132E-02 ppm1      7.595 ppm2      3.926 CV     1
 OR { 1194}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1197}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.700      .900      .900 peak  1197 spectrum    1 weight   .10000E+01 volume   .20053E-02 ppm1      7.599 ppm2      1.807 CV     1
 ASSI { 1210}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.000     1.100     1.100 peak  1210 spectrum    1 weight   .10000E+01 volume   .14470E-02 ppm1      8.586 ppm2      2.631 CV     1
 ASSI { 1213}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.300      .700      .700 peak  1213 spectrum    1 weight   .10000E+01 volume   .50057E-02 ppm1      8.587 ppm2      1.827 CV     1
 ASSI { 1214}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      3.300     1.300     1.300 peak  1214 spectrum    1 weight   .10000E+01 volume   .35328E-02 ppm1      8.585 ppm2      1.650 CV     1
 ASSI { 1218}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak  1218 spectrum    1 weight   .10000E+01 volume   .21010E-02 ppm1      9.022 ppm2      8.555 CV     1
 ASSI { 1219}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600      .900      .900 peak  1219 spectrum    1 weight   .10000E+01 volume   .27701E-02 ppm1      9.023 ppm2      8.111 CV     1
 ASSI { 1224}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.300     1.300 peak  1224 spectrum    1 weight   .10000E+01 volume   .34611E-02 ppm1      9.022 ppm2      3.568 CV     1
 ASSI { 1226}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.700      .900      .900 peak  1226 spectrum    1 weight   .10000E+01 volume   .27636E-02 ppm1      9.021 ppm2      3.418 CV     1
 ASSI { 1227}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.400      .700      .700 peak  1227 spectrum    1 weight   .10000E+01 volume   .42389E-02 ppm1      9.022 ppm2      3.092 CV     1
 ASSI { 1229}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.100     1.200     1.200 peak  1229 spectrum    1 weight   .10000E+01 volume   .31134E-02 ppm1      9.021 ppm2      2.628 CV     1
 ASSI { 1239}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.500      .800      .800 peak  1239 spectrum    1 weight   .10000E+01 volume   .40520E-02 ppm1      8.132 ppm2      3.552 CV     1
 ASSI { 1244}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.600      .900      .900 peak  1244 spectrum    1 weight   .10000E+01 volume   .28809E-02 ppm1      8.319 ppm2      8.527 CV     1
 ASSI { 1245}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500      .800      .800 peak  1245 spectrum    1 weight   .10000E+01 volume   .37848E-02 ppm1      8.318 ppm2      8.121 CV     1
 ASSI { 1248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.500      .800      .800 peak  1248 spectrum    1 weight   .10000E+01 volume   .42236E-02 ppm1      8.320 ppm2      3.793 CV     1
 ASSI { 1249}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak  1249 spectrum    1 weight   .10000E+01 volume   .14731E-02 ppm1      8.318 ppm2      3.607 CV     1
 ASSI { 1250}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.400      .700      .700 peak  1250 spectrum    1 weight   .10000E+01 volume   .45778E-02 ppm1      8.318 ppm2      2.067 CV     1
 ASSI { 1255}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG12))
      4.100     2.200     1.900 peak  1255 spectrum    1 weight   .10000E+01 volume   .10929E-02 ppm1      8.316 ppm2      1.831 CV     1
 ASSI { 1259}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak  1259 spectrum    1 weight   .10000E+01 volume   .22943E-02 ppm1      8.317 ppm2      1.068 CV     1
 ASSI { 1266}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600      .800      .800 peak  1266 spectrum    1 weight   .10000E+01 volume   .28766E-02 ppm1      8.529 ppm2      8.256 CV     1
 ASSI { 1272}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700      .900      .900 peak  1272 spectrum    1 weight   .10000E+01 volume   .24681E-02 ppm1      8.528 ppm2      3.607 CV     1
 ASSI { 1273}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.600      .800      .800 peak  1273 spectrum    1 weight   .10000E+01 volume   .26094E-02 ppm1      8.530 ppm2      2.728 CV     1
 ASSI { 1276}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.200      .600      .600 peak  1276 spectrum    1 weight   .10000E+01 volume   .58292E-02 ppm1      8.530 ppm2      2.064 CV     1
 ASSI { 1277}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG12))
      3.300     1.300     1.300 peak  1277 spectrum    1 weight   .10000E+01 volume   .36110E-02 ppm1      8.530 ppm2      1.838 CV     1
 ASSI { 1279}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.500     1.600     1.600 peak  1279 spectrum    1 weight   .10000E+01 volume   .17946E-02 ppm1      8.530 ppm2      1.327 CV     1
 ASSI { 1285}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     3.200     2.800 peak  1285 spectrum    1 weight   .10000E+01 volume   .14513E-02 ppm1      8.259 ppm2      8.111 CV     1
 ASSI { 1287}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600      .800      .800 peak  1287 spectrum    1 weight   .10000E+01 volume   .31808E-02 ppm1      8.255 ppm2      7.555 CV     1
 ASSI { 1288}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight   .10000E+01 volume   .19163E-02 ppm1      8.281 ppm2      7.275 CV     1
 ASSI { 1291}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak  1291 spectrum    1 weight   .10000E+01 volume   .15556E-02 ppm1      8.278 ppm2      3.997 CV     1
 ASSI { 1305}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.300     1.400     1.400 peak  1305 spectrum    1 weight   .10000E+01 volume   .34980E-02 ppm1      8.255 ppm2      1.245 CV     1
 ASSI { 1308}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600      .800      .800 peak  1308 spectrum    1 weight   .10000E+01 volume   .32438E-02 ppm1      7.574 ppm2      7.739 CV     1
 ASSI { 1312}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak  1312 spectrum    1 weight   .10000E+01 volume   .87993E-03 ppm1      7.573 ppm2      9.625 CV     1
 ASSI { 1313}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.500     1.500 peak  1313 spectrum    1 weight   .10000E+01 volume   .87342E-03 ppm1      7.573 ppm2      4.343 CV     1
 ASSI { 1317}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.500      .800      .800 peak  1317 spectrum    1 weight   .10000E+01 volume   .27049E-02 ppm1      7.573 ppm2      2.963 CV     1
 ASSI { 1320}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.000     1.100     1.100 peak  1320 spectrum    1 weight   .10000E+01 volume   .18359E-02 ppm1      7.574 ppm2      2.443 CV     1
 ASSI { 1322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak  1322 spectrum    1 weight   .10000E+01 volume   .18641E-02 ppm1      7.574 ppm2      1.848 CV     1
 ASSI { 1324}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak  1324 spectrum    1 weight   .10000E+01 volume   .18402E-02 ppm1      7.757 ppm2      9.037 CV     1
 ASSI { 1328}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak  1328 spectrum    1 weight   .10000E+01 volume   .17555E-02 ppm1      7.764 ppm2      4.340 CV     1
 ASSI { 1329}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.200     1.300     1.300 peak  1329 spectrum    1 weight   .10000E+01 volume   .33002E-02 ppm1      7.759 ppm2      2.438 CV     1
 ASSI { 1341}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.500      .800      .800 peak  1341 spectrum    1 weight   .10000E+01 volume   .45843E-02 ppm1      9.057 ppm2      4.809 CV     1
 ASSI { 1342}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700      .900      .900 peak  1342 spectrum    1 weight   .10000E+01 volume   .39195E-02 ppm1      9.052 ppm2      4.500 CV     1
 ASSI { 1346}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.400      .700      .700 peak  1346 spectrum    1 weight   .10000E+01 volume   .41954E-02 ppm1      9.055 ppm2      2.027 CV     1
 ASSI { 1354}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HD1 ))
      3.000     1.100     1.100 peak  1354 spectrum    1 weight   .10000E+01 volume   .18228E-02 ppm1      7.742 ppm2      6.903 CV     1
 ASSI { 1355}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  1355 spectrum    1 weight   .10000E+01 volume   .23704E-02 ppm1      7.746 ppm2      5.188 CV     1
 ASSI { 1357}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.000     1.000 peak  1357 spectrum    1 weight   .10000E+01 volume   .20032E-02 ppm1      7.746 ppm2      4.406 CV     1
 ASSI { 1358}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.300      .700      .700 peak  1358 spectrum    1 weight   .10000E+01 volume   .74955E-02 ppm1      7.745 ppm2      3.379 CV     1
 OR { 1358}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1362}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.600     1.600 peak  1362 spectrum    1 weight   .10000E+01 volume   .10385E-02 ppm1      7.747 ppm2      1.965 CV     1
 ASSI { 1366}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.200     1.200 peak  1366 spectrum    1 weight   .10000E+01 volume   .16642E-02 ppm1      7.703 ppm2      4.406 CV     1
 ASSI { 1367}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak  1367 spectrum    1 weight   .10000E+01 volume   .16034E-02 ppm1      7.700 ppm2      7.384 CV     1
 ASSI { 1380}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak  1380 spectrum    1 weight   .10000E+01 volume   .19532E-02 ppm1      7.429 ppm2      2.035 CV     1
 ASSI { 1384}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.500     1.500     1.500 peak  1384 spectrum    1 weight   .10000E+01 volume   .77781E-03 ppm1      7.399 ppm2      3.486 CV     1
 ASSI { 1388}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.000     2.000     2.000 peak  1388 spectrum    1 weight   .10000E+01 volume   .93423E-03 ppm1      7.434 ppm2      1.748 CV     1
 ASSI { 1390}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.100     1.200     1.200 peak  1390 spectrum    1 weight   .10000E+01 volume   .99074E-03 ppm1      7.429 ppm2      1.380 CV     1
 ASSI { 1399}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.100     1.200     1.200 peak  1399 spectrum    1 weight   .10000E+01 volume   .11515E-02 ppm1      7.051 ppm2      6.580 CV     1
 ASSI { 1407}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.400     1.400 peak  1407 spectrum    1 weight   .10000E+01 volume   .70611E-03 ppm1      7.041 ppm2      1.605 CV     1
 ASSI { 1408}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.500      .800      .800 peak  1408 spectrum    1 weight   .10000E+01 volume   .32894E-02 ppm1      8.093 ppm2      8.441 CV     1
 ASSI { 1414}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight   .10000E+01 volume   .23638E-02 ppm1      8.095 ppm2      2.457 CV     1
 ASSI { 1417}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.100     2.100     1.900 peak  1417 spectrum    1 weight   .10000E+01 volume   .82776E-03 ppm1      8.103 ppm2      2.290 CV     1
 OR { 1417}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1421}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200      .600      .600 peak  1421 spectrum    1 weight   .10000E+01 volume   .72307E-02 ppm1      8.454 ppm2      4.683 CV     1
 ASSI { 1423}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak  1423 spectrum    1 weight   .10000E+01 volume   .18381E-02 ppm1      8.457 ppm2      4.295 CV     1
 ASSI { 1424}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.300     1.400     1.400 peak  1424 spectrum    1 weight   .10000E+01 volume   .12340E-02 ppm1      8.451 ppm2      2.810 CV     1
 OR { 1424}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1425}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak  1425 spectrum    1 weight   .10000E+01 volume   .12819E-02 ppm1      8.453 ppm2      2.071 CV     1
 ASSI { 1427}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.300     1.400     1.400 peak  1427 spectrum    1 weight   .10000E+01 volume   .17468E-02 ppm1      8.457 ppm2      2.295 CV     1
 OR { 1427}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 1428}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak  1428 spectrum    1 weight   .10000E+01 volume   .26267E-02 ppm1      8.453 ppm2      1.923 CV     1
 ASSI { 1434}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak  1434 spectrum    1 weight   .10000E+01 volume   .22639E-02 ppm1      8.562 ppm2      4.675 CV     1
 ASSI { 1435}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  1435 spectrum    1 weight   .10000E+01 volume   .11623E-02 ppm1      8.555 ppm2      4.400 CV     1
 ASSI { 1451}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.200     1.200 peak  1451 spectrum    1 weight   .10000E+01 volume   .84083E-03 ppm1      8.623 ppm2      7.417 CV     1
 ASSI { 1454}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600      .800      .800 peak  1454 spectrum    1 weight   .10000E+01 volume   .33568E-02 ppm1      9.652 ppm2      5.188 CV     1
 ASSI { 1455}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak  1455 spectrum    1 weight   .10000E+01 volume   .86470E-03 ppm1      9.649 ppm2      4.507 CV     1
 ASSI { 1456}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak  1456 spectrum    1 weight   .10000E+01 volume   .97116E-03 ppm1      9.652 ppm2      3.384 CV     1
 OR { 1456}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1457}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak  1457 spectrum    1 weight   .10000E+01 volume   .11124E-02 ppm1      9.651 ppm2      4.809 CV     1
 ASSI { 1458}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.300     1.300 peak  1458 spectrum    1 weight   .10000E+01 volume   .11081E-02 ppm1      9.647 ppm2      4.184 CV     1
 ASSI { 1459}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak  1459 spectrum    1 weight   .10000E+01 volume   .13145E-02 ppm1      9.649 ppm2      2.957 CV     1
 ASSI { 1460}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HZ2 ))
      2.600      .800      .800 peak  1460 spectrum    1 weight   .10000E+01 volume   .50841E-02 ppm1      9.797 ppm2      7.316 CV     1
 ASSI { 1461}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HD1 ))
      2.200      .600      .600 peak  1461 spectrum    1 weight   .10000E+01 volume   .10753E-01 ppm1      9.797 ppm2      6.902 CV     1
 ASSI { 1462}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  1462 spectrum    1 weight   .10000E+01 volume   .91904E-03 ppm1      9.804 ppm2      5.189 CV     1
 ASSI { 1469}
   (( segid "    " and resid 106  and name HE1 ))
   (( segid "    " and resid 106  and name HD1 ))
      2.400      .700      .700 peak  1469 spectrum    1 weight   .10000E+01 volume   .79344E-02 ppm1     10.083 ppm2      7.187 CV     1
 ASSI { 1470}
   (( segid "    " and resid 106  and name HE1 ))
   (( segid "    " and resid 106  and name HZ2 ))
      2.900     1.100     1.100 peak  1470 spectrum    1 weight   .10000E+01 volume   .23660E-02 ppm1     10.084 ppm2      7.465 CV     1
 ASSI { 1731}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HG2 ))
      3.300     1.300     1.300 peak  1731 spectrum    1 weight   .10000E+01 volume   .85602E-03 ppm1      6.737 ppm2      2.218 CV     1
 OR { 1731}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 2515}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak  2515 spectrum    1 weight   .10000E+01 volume   .50407E-03 ppm1      7.058 ppm2      1.747 CV     1
 ASSI { 2594}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB2 ))
      3.600     1.700     1.700 peak  2594 spectrum    1 weight   .10000E+01 volume   .16056E-02 ppm1      7.827 ppm2      2.951 CV     1
 ASSI { 2595}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB1 ))
      4.100     2.100     1.900 peak  2595 spectrum    1 weight   .10000E+01 volume   .78866E-03 ppm1      7.824 ppm2      2.772 CV     1
 ASSI { 2596}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak  2596 spectrum    1 weight   .10000E+01 volume   .12884E-02 ppm1      6.959 ppm2      2.955 CV     1
 ASSI { 2597}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB1 ))
      3.400     1.500     1.500 peak  2597 spectrum    1 weight   .10000E+01 volume   .61488E-03 ppm1      6.961 ppm2      2.771 CV     1
 ASSI { 2600}
   (( segid "    " and resid 63   and name HD22))
   (( segid "    " and resid 63   and name HB1 ))
      3.700     1.700     1.700 peak  2600 spectrum    1 weight   .10000E+01 volume   .14361E-02 ppm1      7.650 ppm2      2.536 CV     1
 ASSI { 2601}
   (( segid "    " and resid 63   and name HD22))
   (( segid "    " and resid 63   and name HB2 ))
      3.900     1.900     1.900 peak  2601 spectrum    1 weight   .10000E+01 volume   .10342E-02 ppm1      7.645 ppm2      2.912 CV     1
 ASSI { 2604}
   (( segid "    " and resid 76   and name HE22))
   (( segid "    " and resid 76   and name HG1 ))
      3.200     1.300     1.300 peak  2604 spectrum    1 weight   .10000E+01 volume   .32568E-02 ppm1      7.683 ppm2      2.358 CV     1
 ASSI { 2608}
   (( segid "    " and resid 76   and name HE21))
   (( segid "    " and resid 76   and name HG1 ))
      2.800     1.000     1.000 peak  2608 spectrum    1 weight   .10000E+01 volume   .21727E-02 ppm1      6.705 ppm2      2.352 CV     1
 ASSI { 2622}
   (( segid "    " and resid 28   and name HD22))
   (( segid "    " and resid 28   and name HB1 ))
      3.700     1.700     1.700 peak  2622 spectrum    1 weight   .10000E+01 volume   .15426E-02 ppm1      7.488 ppm2      2.770 CV     1
 OR { 2622}
   (( segid "    " and resid 28   and name HD22))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2624}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak  2624 spectrum    1 weight   .10000E+01 volume   .11537E-02 ppm1      6.882 ppm2      2.794 CV     1
 OR { 2624}
   (( segid "    " and resid 28   and name HD21))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2666}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak  2666 spectrum    1 weight   .10000E+01 volume   .14513E-02 ppm1      6.863 ppm2      2.814 CV     1
 OR { 2666}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2667}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 29   and name HB1 ))
      3.500     1.600     1.600 peak  2667 spectrum    1 weight   .10000E+01 volume   .19554E-02 ppm1      7.578 ppm2      2.815 CV     1
 OR { 2667}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 4181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700      .900      .900 peak  4181 spectrum    1 weight   .10000E+01 volume   .29852E-02 ppm1      8.094 ppm2      4.375 CV     1
 ASSI {  432}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.900     1.000     1.000 peak   432 spectrum    1 weight   .10000E+01 volume   .12536E-02 ppm1      7.903 ppm2      3.238 CV     1
 OR {  432}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI {  435}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.500     1.600     1.600 peak   435 spectrum    1 weight   .10000E+01 volume   .11646E-02 ppm1      7.905 ppm2      1.606 CV     1
 OR {  435}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD2 ))
 ASSI {  437}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.500      .800      .800 peak   437 spectrum    1 weight   .10000E+01 volume   .40650E-02 ppm1      8.053 ppm2      7.906 CV     1
 ASSI {  440}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      2.600      .800      .800 peak   440 spectrum    1 weight   .10000E+01 volume   .52533E-02 ppm1      8.089 ppm2      1.888 CV     1
 ASSI {  450}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight   .10000E+01 volume   .20727E-02 ppm1      8.059 ppm2      7.792 CV     1
 ASSI {  456}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.800     1.000     1.000 peak   456 spectrum    1 weight   .10000E+01 volume   .44822E-02 ppm1      8.052 ppm2      3.239 CV     1
 OR {  456}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI {  460}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      4.100     2.100     1.900 peak   460 spectrum    1 weight   .10000E+01 volume   .77781E-03 ppm1      8.052 ppm2      1.937 CV     1
 OR {  460}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
 ASSI {  469}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.100     2.100     1.900 peak   469 spectrum    1 weight   .10000E+01 volume   .41498E-03 ppm1      7.874 ppm2      4.395 CV     1
 ASSI {  479}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.300      .700      .700 peak   479 spectrum    1 weight   .10000E+01 volume   .60314E-02 ppm1      7.871 ppm2      1.640 CV     1
 OR {  479}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG  ))
 ASSI {  518}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.400      .700      .700 peak   518 spectrum    1 weight   .10000E+01 volume   .50057E-02 ppm1      8.159 ppm2      2.728 CV     1
 OR {  518}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI {  534}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD1 ))
      4.300     2.300     1.700 peak   534 spectrum    1 weight   .10000E+01 volume   .70828E-03 ppm1      8.058 ppm2      3.053 CV     1
 OR {  534}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD2 ))
 ASSI {  582}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG12))
      3.800     1.800     1.800 peak   582 spectrum    1 weight   .10000E+01 volume   .11711E-02 ppm1      8.375 ppm2      1.610 CV     1
 ASSI {  592}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.400     1.400     1.400 peak   592 spectrum    1 weight   .10000E+01 volume   .11276E-02 ppm1      8.295 ppm2      8.120 CV     1
 ASSI {  612}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.000     2.000     2.000 peak   612 spectrum    1 weight   .10000E+01 volume   .40629E-03 ppm1      7.833 ppm2      3.934 CV     1
 ASSI {  623}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      3.300     1.300     1.300 peak   623 spectrum    1 weight   .10000E+01 volume   .16838E-02 ppm1      7.828 ppm2       .813 CV     1
 ASSI {  649}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight   .10000E+01 volume   .94074E-03 ppm1      8.711 ppm2      1.453 CV     1
 OR {  649}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI {  663}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      3.600     1.600     1.600 peak   663 spectrum    1 weight   .10000E+01 volume   .94729E-03 ppm1      8.468 ppm2      1.655 CV     1
 OR {  663}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HD1 ))
 OR {  663}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI {  667}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      3.400     1.400     1.400 peak   667 spectrum    1 weight   .10000E+01 volume   .12797E-02 ppm1      8.469 ppm2       .674 CV     1
 OR {  667}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI {  679}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight   .10000E+01 volume   .28744E-02 ppm1      7.309 ppm2      1.646 CV     1
 OR {  679}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HD1 ))
 OR {  679}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI {  682}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.300     1.400     1.400 peak   682 spectrum    1 weight   .10000E+01 volume   .20401E-02 ppm1      7.315 ppm2       .922 CV     1
 OR {  682}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD1%)
 ASSI {  689}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.600      .900      .900 peak   689 spectrum    1 weight   .10000E+01 volume   .24877E-02 ppm1      8.397 ppm2      8.074 CV     1
 ASSI {  695}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      2.300      .700      .700 peak   695 spectrum    1 weight   .10000E+01 volume   .87362E-02 ppm1      8.396 ppm2      1.886 CV     1
 OR {  695}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HG12))
 ASSI {  699}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HG11))
      2.500      .800      .800 peak   699 spectrum    1 weight   .10000E+01 volume   .17034E-02 ppm1      8.396 ppm2      1.099 CV     1
 ASSI {  703}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.300     1.400     1.400 peak   703 spectrum    1 weight   .10000E+01 volume   .11841E-02 ppm1      8.095 ppm2      7.279 CV     1
 ASSI {  707}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.400     1.400     1.400 peak   707 spectrum    1 weight   .10000E+01 volume   .95380E-03 ppm1      8.095 ppm2      3.231 CV     1
 ASSI {  708}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.600     1.600     1.600 peak   708 spectrum    1 weight   .10000E+01 volume   .80606E-03 ppm1      8.094 ppm2      3.094 CV     1
 ASSI {  717}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600      .800      .800 peak   717 spectrum    1 weight   .10000E+01 volume   .29396E-02 ppm1      8.585 ppm2      7.558 CV     1
 ASSI {  719}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   719 spectrum    1 weight   .10000E+01 volume   .10364E-02 ppm1      7.876 ppm2      4.394 CV     1
 ASSI {  722}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      4.400     2.400     1.600 peak   722 spectrum    1 weight   .10000E+01 volume   .74955E-03 ppm1      7.881 ppm2      3.094 CV     1
 ASSI {  779}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.700     1.700     1.700 peak   779 spectrum    1 weight   .10000E+01 volume   .15969E-02 ppm1      8.361 ppm2       .867 CV     1
 OR {  779}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI {  789}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.200     1.300     1.300 peak   789 spectrum    1 weight   .10000E+01 volume   .55186E-03 ppm1      8.537 ppm2      2.949 CV     1
 ASSI {  811}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   811 spectrum    1 weight   .10000E+01 volume   .56921E-03 ppm1      7.278 ppm2      3.560 CV     1
 ASSI {  813}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.500     1.500     1.500 peak   813 spectrum    1 weight   .10000E+01 volume   .11841E-02 ppm1      7.291 ppm2      1.937 CV     1
 OR {  813}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG  ))
 ASSI {  816}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight   .10000E+01 volume   .96465E-03 ppm1      7.279 ppm2      1.377 CV     1
 ASSI {  845}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.900     1.000     1.000 peak   845 spectrum    1 weight   .10000E+01 volume   .50491E-02 ppm1      8.920 ppm2      1.894 CV     1
 OR {  845}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI {  890}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.300     2.300     1.700 peak   890 spectrum    1 weight   .10000E+01 volume   .49751E-03 ppm1      8.820 ppm2       .910 CV     1
 OR {  890}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  907}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      4.000     2.000     2.000 peak   907 spectrum    1 weight   .10000E+01 volume   .77564E-03 ppm1      9.283 ppm2       .818 CV     1
 OR {  907}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  922}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.600     1.600     1.600 peak   922 spectrum    1 weight   .10000E+01 volume   .14275E-02 ppm1      7.197 ppm2       .822 CV     1
 OR {  922}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  928}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak   928 spectrum    1 weight   .10000E+01 volume   .98857E-03 ppm1      7.351 ppm2      2.303 CV     1
 OR {  928}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
 ASSI {  943}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.400      .700      .700 peak   943 spectrum    1 weight   .10000E+01 volume   .45017E-02 ppm1      7.484 ppm2      1.758 CV     1
 OR {  943}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  947}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.300     1.400     1.400 peak   947 spectrum    1 weight   .10000E+01 volume   .20293E-02 ppm1      7.484 ppm2       .759 CV     1
 OR {  947}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.100      .500      .500 peak   952 spectrum    1 weight   .10000E+01 volume   .83688E-02 ppm1      7.556 ppm2      7.434 CV     1
 ASSI {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      4.400     2.400     1.600 peak   961 spectrum    1 weight   .10000E+01 volume   .54969E-03 ppm1      7.547 ppm2       .731 CV     1
 OR {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI {  970}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.800     1.800 peak   970 spectrum    1 weight   .10000E+01 volume   .11102E-02 ppm1      8.291 ppm2      7.421 CV     1
 ASSI {  979}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      3.000     1.200     1.200 peak   979 spectrum    1 weight   .10000E+01 volume   .11320E-02 ppm1      8.291 ppm2      1.094 CV     1
 ASSI {  997}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     3.200     2.800 peak   997 spectrum    1 weight   .10000E+01 volume   .15165E-02 ppm1      7.751 ppm2      7.567 CV     1
 ASSI { 1009}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      2.800     1.000     1.000 peak  1009 spectrum    1 weight   .10000E+01 volume   .23117E-02 ppm1      7.761 ppm2      1.056 CV     1
 OR { 1009}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI { 1026}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HD21))
      3.400     1.500     1.500 peak  1026 spectrum    1 weight   .10000E+01 volume   .11558E-02 ppm1      7.577 ppm2      7.370 CV     1
 ASSI { 1042}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      3.900     1.900     1.900 peak  1042 spectrum    1 weight   .10000E+01 volume   .98640E-03 ppm1      8.621 ppm2      2.307 CV     1
 ASSI { 1059}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak  1059 spectrum    1 weight   .10000E+01 volume   .39998E-02 ppm1      8.586 ppm2      1.895 CV     1
 OR { 1059}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1084}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.000     2.000     2.000 peak  1084 spectrum    1 weight   .10000E+01 volume   .68875E-03 ppm1      7.123 ppm2      1.739 CV     1
 ASSI { 1097}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.600     1.700     1.700 peak  1097 spectrum    1 weight   .10000E+01 volume   .12536E-02 ppm1      8.959 ppm2      2.012 CV     1
 OR { 1097}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 1099}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG  ))
      3.500     1.600     1.600 peak  1099 spectrum    1 weight   .10000E+01 volume   .14557E-02 ppm1      8.948 ppm2      1.239 CV     1
 ASSI { 1132}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500      .800      .800 peak  1132 spectrum    1 weight   .10000E+01 volume   .25355E-02 ppm1      9.143 ppm2      2.226 CV     1
 OR { 1132}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1157}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.200     1.300     1.300 peak  1157 spectrum    1 weight   .10000E+01 volume   .14231E-02 ppm1      7.232 ppm2      2.027 CV     1
 OR { 1157}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 1160}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  1160 spectrum    1 weight   .10000E+01 volume   .12080E-02 ppm1      7.234 ppm2      1.557 CV     1
 OR { 1160}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 1174}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      4.000     2.000     2.000 peak  1174 spectrum    1 weight   .10000E+01 volume   .73870E-03 ppm1      8.337 ppm2       .673 CV     1
 OR { 1174}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
 ASSI { 1193}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1193 spectrum    1 weight   .10000E+01 volume   .23704E-02 ppm1      7.597 ppm2      4.207 CV     1
 ASSI { 1198}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG11))
      3.500     1.500     1.500 peak  1198 spectrum    1 weight   .10000E+01 volume   .10559E-02 ppm1      7.593 ppm2       .820 CV     1
 ASSI { 1199}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      3.100     3.100     2.900 peak  1199 spectrum    1 weight   .10000E+01 volume   .66483E-03 ppm1      7.591 ppm2      1.658 CV     1
 ASSI { 1206}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1206 spectrum    1 weight   .10000E+01 volume   .21553E-02 ppm1      8.586 ppm2      3.642 CV     1
 ASSI { 1215}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG11))
      2.300      .700      .700 peak  1215 spectrum    1 weight   .10000E+01 volume   .45648E-02 ppm1      8.587 ppm2       .812 CV     1
 OR { 1215}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1216}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.300     1.400     1.400 peak  1216 spectrum    1 weight   .10000E+01 volume   .29787E-02 ppm1      8.586 ppm2       .912 CV     1
 ASSI { 1220}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HE3 ))
      2.900     1.000     1.000 peak  1220 spectrum    1 weight   .10000E+01 volume   .22748E-02 ppm1      9.022 ppm2      7.936 CV     1
 ASSI { 1247}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak  1247 spectrum    1 weight   .10000E+01 volume   .41498E-03 ppm1      8.318 ppm2      4.339 CV     1
 ASSI { 1252}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  1252 spectrum    1 weight   .10000E+01 volume   .54752E-03 ppm1      7.242 ppm2      3.654 CV     1
 ASSI { 1294}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak  1294 spectrum    1 weight   .10000E+01 volume   .17186E-02 ppm1      8.257 ppm2      2.986 CV     1
 ASSI { 1300}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.400      .700      .700 peak  1300 spectrum    1 weight   .10000E+01 volume   .54101E-02 ppm1      8.275 ppm2      1.946 CV     1
 OR { 1300}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG  ))
 ASSI { 1316}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak  1316 spectrum    1 weight   .10000E+01 volume   .93423E-03 ppm1      7.568 ppm2      3.403 CV     1
 OR { 1316}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 1323}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      4.300     2.300     1.700 peak  1323 spectrum    1 weight   .10000E+01 volume   .59530E-03 ppm1      7.578 ppm2      1.338 CV     1
 ASSI { 1326}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak  1326 spectrum    1 weight   .10000E+01 volume   .11102E-02 ppm1      7.762 ppm2      4.493 CV     1
 ASSI { 1332}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.600      .800      .800 peak  1332 spectrum    1 weight   .10000E+01 volume   .30374E-02 ppm1      7.758 ppm2      2.027 CV     1
 ASSI { 1340}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.300     2.300     1.700 peak  1340 spectrum    1 weight   .10000E+01 volume   .41063E-03 ppm1      9.048 ppm2      9.653 CV     1
 ASSI { 1347}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      2.500      .800      .800 peak  1347 spectrum    1 weight   .10000E+01 volume   .51364E-02 ppm1      9.054 ppm2      1.059 CV     1
 OR { 1347}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HG1%)
 ASSI { 1356}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      4.000     2.000     2.000 peak  1356 spectrum    1 weight   .10000E+01 volume   .10450E-02 ppm1      7.747 ppm2      4.590 CV     1
 ASSI { 1370}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak  1370 spectrum    1 weight   .10000E+01 volume   .11124E-02 ppm1      7.701 ppm2      3.663 CV     1
 OR { 1370}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1371}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.600     1.600     1.600 peak  1371 spectrum    1 weight   .10000E+01 volume   .12167E-02 ppm1      7.703 ppm2      2.251 CV     1
 OR { 1371}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 1377}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.100     3.100     2.900 peak  1377 spectrum    1 weight   .10000E+01 volume   .53884E-03 ppm1      7.426 ppm2      7.098 CV     1
 ASSI { 1382}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak  1382 spectrum    1 weight   .10000E+01 volume   .12037E-02 ppm1      7.407 ppm2      3.685 CV     1
 OR { 1382}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1396}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 37   and name HG1%)
      3.700     1.700     1.700 peak  1396 spectrum    1 weight   .10000E+01 volume   .75389E-03 ppm1      7.432 ppm2      1.049 CV     1
 OR { 1396}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
 ASSI { 1409}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1409 spectrum    1 weight   .10000E+01 volume   .82342E-03 ppm1      8.100 ppm2      7.039 CV     1
 ASSI { 1415}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.700      .900      .900 peak  1415 spectrum    1 weight   .10000E+01 volume   .37413E-02 ppm1      8.094 ppm2      2.070 CV     1
 ASSI { 1466}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.200     1.200 peak  1466 spectrum    1 weight   .10000E+01 volume   .14861E-02 ppm1      9.803 ppm2      2.073 CV     1
 ASSI { 1472}
   (( segid "    " and resid 106  and name HE1 ))
   (( segid "    " and resid 104  and name HB2 ))
      3.600     1.600     1.600 peak  1472 spectrum    1 weight   .10000E+01 volume   .65832E-03 ppm1     10.084 ppm2      1.652 CV     1
 OR { 1472}
   (( segid "    " and resid 106  and name HE1 ))
   (( segid "    " and resid 104  and name HG  ))
 ASSI { 1473}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HD1 ))
      2.100      .600      .600 peak  1473 spectrum    1 weight   .10000E+01 volume   .14290E-01 ppm1     10.162 ppm2      7.284 CV     1
 OR { 1473}
   (( segid "    " and resid 43   and name HE1 ))
   (( segid "    " and resid 43   and name HZ2 ))
 ASSI { 2611}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG2 ))
      3.800     1.800     1.800 peak  2611 spectrum    1 weight   .10000E+01 volume   .12884E-02 ppm1      7.483 ppm2      2.238 CV     1
 OR { 2611}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 2617}
   (( segid "    " and resid 58   and name HE22))
   (( segid "    " and resid 58   and name HG2 ))
      3.900     1.900     1.900 peak  2617 spectrum    1 weight   .10000E+01 volume   .11558E-02 ppm1      7.524 ppm2      2.335 CV     1
 OR { 2617}
   (( segid "    " and resid 58   and name HE22))
   (( segid "    " and resid 58   and name HG1 ))
 ASSI { 2618}
   (( segid "    " and resid 58   and name HE21))
   (( segid "    " and resid 58   and name HG2 ))
      3.100     1.200     1.200 peak  2618 spectrum    1 weight   .10000E+01 volume   .11254E-02 ppm1      6.823 ppm2      2.310 CV     1
 OR { 2618}
   (( segid "    " and resid 58   and name HE21))
   (( segid "    " and resid 58   and name HG1 ))
 ASSI { 2627}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG1 ))
      3.500     1.500     1.500 peak  2627 spectrum    1 weight   .10000E+01 volume   .21401E-02 ppm1      7.089 ppm2      1.886 CV     1
 ASSI { 2628}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 86   and name HB1 ))
      4.300     2.300     1.700 peak  2628 spectrum    1 weight   .10000E+01 volume   .71913E-03 ppm1      7.083 ppm2      1.607 CV     1
 ASSI { 2630}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 86   and name HD1%)
      3.700     1.700     1.700 peak  2630 spectrum    1 weight   .10000E+01 volume   .77130E-03 ppm1      7.082 ppm2       .864 CV     1
 OR { 2630}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 2634}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG1 ))
      2.800     1.000     1.000 peak  2634 spectrum    1 weight   .10000E+01 volume   .17729E-02 ppm1      6.749 ppm2      1.890 CV     1
 ASSI { 2636}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak  2636 spectrum    1 weight   .10000E+01 volume   .13514E-02 ppm1      6.752 ppm2       .889 CV     1
 OR { 2636}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 2965}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  2965 spectrum    1 weight   .10000E+01 volume   .90380E-03 ppm1      7.863 ppm2       .865 CV     1
 OR { 2965}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HD1%)
 ASSI { 3389}
   (( segid "    " and resid 59   and name HE  ))
   (( segid "    " and resid 59   and name HD2 ))
      3.300     1.400     1.400 peak  3389 spectrum    1 weight   .10000E+01 volume   .72785E-03 ppm1      7.965 ppm2      3.185 CV     1
 OR { 3389}
   (( segid "    " and resid 59   and name HE  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 3518}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      3.500     1.500     1.500 peak  3518 spectrum    1 weight   .10000E+01 volume   .19250E-02 ppm1      8.458 ppm2       .879 CV     1
 OR { 3518}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 3863}
   (( segid "    " and resid 63   and name HD21))
   (  segid "    " and resid 65   and name HD1%)
      3.500     1.500     1.500 peak  3863 spectrum    1 weight   .10000E+01 volume   .87342E-03 ppm1      7.343 ppm2       .777 CV     1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  24          2H        GLY  24 -20.924   4.962   3.662
    2    H2   GLY  24          1H        GLY  24 -22.079   6.199   3.636
    3    H3   GLY  24          3H        GLY  24 -21.983   5.101   2.352
    4   1HA   GLY  24          2HA       GLY  24 -19.936   7.115   3.102
    5   2HA   GLY  24          1HA       GLY  24 -21.000   7.193   1.707
    6    H    SER  25           H        SER  25 -18.854   4.737   3.159
    7    HA   SER  25           HA       SER  25 -17.910   4.076   0.462
    8   1HB   SER  25          2HB       SER  25 -15.570   4.053   1.240
    9   2HB   SER  25          1HB       SER  25 -16.280   5.662   1.380
   10    HG   SER  25           HG       SER  25 -16.154   5.545   3.494
   11    H    HIS  26           H        HIS  26 -18.662   3.166   3.685
   12    HA   HIS  26           HA       HIS  26 -17.401   0.657   3.823
   13   1HB   HIS  26          2HB       HIS  26 -18.429   1.866   5.753
   14   2HB   HIS  26          1HB       HIS  26 -20.017   1.459   5.112
   15    HD1  HIS  26           HD1      HIS  26 -20.658  -1.113   5.130
   16    HD2  HIS  26           HD2      HIS  26 -17.202  -0.120   7.213
   17    HE1  HIS  26           HE1      HIS  26 -20.157  -3.101   6.586
   18    HE2  HIS  26           HE2      HIS  26 -18.058  -2.481   7.835
   19    H    MET  27           H        MET  27 -17.645  -0.897   2.354
   20    HA   MET  27           HA       MET  27 -20.362  -1.740   1.656
   21   1HB   MET  27          2HB       MET  27 -19.631  -0.340  -0.200
   22   2HB   MET  27          1HB       MET  27 -18.141  -1.264  -0.339
   23   1HG   MET  27          2HG       MET  27 -19.710  -1.895  -2.068
   24   2HG   MET  27          1HG       MET  27 -19.417  -3.243  -0.970
   25   1HE   MET  27          3HE       MET  27 -21.836  -3.152  -3.031
   26   2HE   MET  27          2HE       MET  27 -21.574  -4.499  -1.923
   27   3HE   MET  27          1HE       MET  27 -23.164  -3.743  -2.033
   28    H    ASN  28           H        ASN  28 -17.057  -2.641   0.680
   29    HA   ASN  28           HA       ASN  28 -17.531  -5.309   1.830
   30   1HB   ASN  28          2HB       ASN  28 -16.209  -4.682  -0.819
   31   2HB   ASN  28          1HB       ASN  28 -16.269  -6.277  -0.077
   32   1HD2  ASN  28          1HD2      ASN  28 -18.962  -5.913   0.950
   33   2HD2  ASN  28          2HD2      ASN  28 -20.019  -6.041  -0.409
   34    H    ASN  29           H        ASN  29 -14.824  -3.638   0.224
   35    HA   ASN  29           HA       ASN  29 -12.656  -3.319   0.827
   36   1HB   ASN  29          2HB       ASN  29 -13.843  -3.307   3.611
   37   2HB   ASN  29          1HB       ASN  29 -12.218  -2.764   3.201
   38   1HD2  ASN  29          1HD2      ASN  29 -15.612  -2.074   2.995
   39   2HD2  ASN  29          2HD2      ASN  29 -15.455  -0.427   2.499
   40    H    GLU  30           H        GLU  30 -11.024  -4.195   2.775
   41    HA   GLU  30           HA       GLU  30 -11.311  -7.126   2.696
   42   1HB   GLU  30          2HB       GLU  30  -8.801  -5.472   2.420
   43   2HB   GLU  30          1HB       GLU  30  -8.824  -7.223   2.577
   44   1HG   GLU  30          2HG       GLU  30 -10.063  -5.635   0.340
   45   2HG   GLU  30          1HG       GLU  30  -8.544  -6.527   0.261
   46    H    ASP  31           H        ASP  31 -11.481  -4.606   4.701
   47    HA   ASP  31           HA       ASP  31 -11.331  -4.307   6.948
   48   1HB   ASP  31          2HB       ASP  31 -10.978  -7.309   6.907
   49   2HB   ASP  31          1HB       ASP  31 -11.195  -6.363   8.375
   50    H    PHE  32           H        PHE  32  -9.630  -3.163   7.553
   51    HA   PHE  32           HA       PHE  32  -6.973  -3.627   6.943
   52   1HB   PHE  32          2HB       PHE  32  -8.129  -2.108   9.287
   53   2HB   PHE  32          1HB       PHE  32  -6.457  -2.001   8.749
   54    HD1  PHE  32           HD1      PHE  32  -5.850  -0.684   6.871
   55    HD2  PHE  32           HD2      PHE  32  -9.950  -1.251   7.856
   56    HE1  PHE  32           HE1      PHE  32  -6.469   1.108   5.302
   57    HE2  PHE  32           HE2      PHE  32 -10.578   0.536   6.287
   58    HZ   PHE  32           HZ       PHE  32  -8.837   1.718   5.007
   59    H    SER  33           H        SER  33  -8.878  -5.047   9.460
   60    HA   SER  33           HA       SER  33  -6.700  -5.807  11.149
   61   1HB   SER  33          2HB       SER  33  -8.380  -7.223  12.288
   62   2HB   SER  33          1HB       SER  33  -8.948  -5.569  12.062
   63    HG   SER  33           HG       SER  33 -10.263  -6.246  10.426
   64    H    GLN  34           H        GLN  34  -7.868  -7.015   8.200
   65    HA   GLN  34           HA       GLN  34  -6.752  -9.679   8.713
   66   1HB   GLN  34          2HB       GLN  34  -8.524  -8.725   6.460
   67   2HB   GLN  34          1HB       GLN  34  -7.936 -10.369   6.662
   68   1HG   GLN  34          2HG       GLN  34  -9.732  -8.896   8.576
   69   2HG   GLN  34          1HG       GLN  34 -10.238 -10.129   7.423
   70   1HE2  GLN  34          1HE2      GLN  34  -8.581  -9.494  10.406
   71   2HE2  GLN  34          2HE2      GLN  34  -8.494 -11.132  10.946
   72    H    TRP  35           H        TRP  35  -5.967  -6.746   7.185
   73    HA   TRP  35           HA       TRP  35  -4.536  -7.717   4.951
   74   1HB   TRP  35          2HB       TRP  35  -4.418  -5.147   6.500
   75   2HB   TRP  35          1HB       TRP  35  -3.274  -5.474   5.201
   76    HD1  TRP  35           HD1      TRP  35  -7.072  -5.180   5.754
   77    HE1  TRP  35           HE1      TRP  35  -8.155  -4.382   3.562
   78    HE3  TRP  35           HE3      TRP  35  -2.941  -5.225   2.759
   79    HZ2  TRP  35           HZ2      TRP  35  -7.365  -3.852   0.910
   80    HZ3  TRP  35           HZ3      TRP  35  -3.186  -4.562   0.403
   81    HH2  TRP  35           HH2      TRP  35  -5.353  -3.889  -0.502
   82    H    SER  36           H        SER  36  -2.680  -8.781   4.827
   83    HA   SER  36           HA       SER  36  -0.889  -8.746   7.168
   84   1HB   SER  36          2HB       SER  36  -1.254 -10.945   5.117
   85   2HB   SER  36          1HB       SER  36  -0.153 -10.993   6.494
   86    HG   SER  36           HG       SER  36  -1.841 -11.896   7.401
   87    H    VAL  37           H        VAL  37   1.348  -9.859   6.144
   88    HA   VAL  37           HA       VAL  37   2.613  -7.708   4.871
   89    HB   VAL  37           HB       VAL  37   3.475 -10.585   5.172
   90   1HG1  VAL  37          3HG1      VAL  37   5.065  -8.220   4.185
   91   2HG1  VAL  37          2HG1      VAL  37   5.752  -9.779   4.641
   92   3HG1  VAL  37          1HG1      VAL  37   4.647  -9.669   3.271
   93   1HG2  VAL  37          1HG2      VAL  37   3.218  -9.344   7.262
   94   2HG2  VAL  37          3HG2      VAL  37   4.915  -9.700   6.935
   95   3HG2  VAL  37          2HG2      VAL  37   4.283  -8.079   6.645
   96    H    ASP  38           H        ASP  38   1.977 -10.958   3.532
   97    HA   ASP  38           HA       ASP  38   2.736 -10.405   0.916
   98   1HB   ASP  38          2HB       ASP  38   1.386 -12.383   0.294
   99   2HB   ASP  38          1HB       ASP  38   2.396 -12.678   1.706
  100    H    ASP  39           H        ASP  39  -0.297  -9.775   2.551
  101    HA   ASP  39           HA       ASP  39  -1.868  -9.293   0.254
  102   1HB   ASP  39          2HB       ASP  39  -2.141  -8.322   3.101
  103   2HB   ASP  39          1HB       ASP  39  -3.346  -8.021   1.853
  104    H    VAL  40           H        VAL  40  -0.331  -6.977   2.493
  105    HA   VAL  40           HA       VAL  40  -0.963  -4.676   1.019
  106    HB   VAL  40           HB       VAL  40   1.389  -5.076   2.871
  107   1HG1  VAL  40          2HG1      VAL  40   1.603  -3.076   1.498
  108   2HG1  VAL  40          1HG1      VAL  40  -0.015  -2.562   1.973
  109   3HG1  VAL  40          3HG1      VAL  40   1.273  -2.648   3.176
  110   1HG2  VAL  40          2HG2      VAL  40  -0.744  -5.656   3.929
  111   2HG2  VAL  40          1HG2      VAL  40  -0.058  -4.185   4.615
  112   3HG2  VAL  40          3HG2      VAL  40  -1.395  -4.083   3.471
  113    H    ILE  41           H        ILE  41   2.051  -6.571   1.093
  114    HA   ILE  41           HA       ILE  41   3.530  -5.014  -0.673
  115    HB   ILE  41           HB       ILE  41   3.675  -7.993  -0.219
  116   1HG1  ILE  41          2HG1      ILE  41   5.255  -5.693   0.956
  117   2HG1  ILE  41          1HG1      ILE  41   4.018  -6.622   1.796
  118   1HG2  ILE  41          3HG2      ILE  41   5.656  -6.138  -1.535
  119   2HG2  ILE  41          2HG2      ILE  41   5.959  -7.823  -1.116
  120   3HG2  ILE  41          1HG2      ILE  41   4.739  -7.421  -2.323
  121   1HD1  ILE  41          3HD1      ILE  41   5.407  -8.633   1.567
  122   2HD1  ILE  41          2HD1      ILE  41   6.655  -7.659   0.789
  123   3HD1  ILE  41          1HD1      ILE  41   6.212  -7.349   2.468
  124    H    THR  42           H        THR  42   1.915  -8.093  -1.499
  125    HA   THR  42           HA       THR  42   2.304  -8.110  -4.198
  126    HB   THR  42           HB       THR  42  -0.225  -8.975  -2.785
  127    HG1  THR  42           HG1      THR  42   1.310 -11.019  -3.430
  128   1HG2  THR  42          2HG2      THR  42  -0.536  -8.806  -5.209
  129   2HG2  THR  42          1HG2      THR  42   0.897  -9.801  -5.466
  130   3HG2  THR  42          3HG2      THR  42  -0.527 -10.491  -4.687
  131    H    TRP  43           H        TRP  43  -0.652  -6.780  -2.674
  132    HA   TRP  43           HA       TRP  43  -1.751  -5.729  -5.008
  133   1HB   TRP  43          2HB       TRP  43  -3.051  -5.959  -2.959
  134   2HB   TRP  43          1HB       TRP  43  -2.059  -4.741  -2.165
  135    HD1  TRP  43           HD1      TRP  43  -4.809  -5.103  -4.810
  136    HE1  TRP  43           HE1      TRP  43  -5.882  -2.797  -5.200
  137    HE3  TRP  43           HE3      TRP  43  -1.631  -2.238  -2.008
  138    HZ2  TRP  43           HZ2      TRP  43  -5.441  -0.123  -4.429
  139    HZ3  TRP  43           HZ3      TRP  43  -2.029   0.188  -1.886
  140    HH2  TRP  43           HH2      TRP  43  -3.896   1.222  -3.072
  141    H    CYS  44           H        CYS  44   0.407  -4.200  -2.650
  142    HA   CYS  44           HA       CYS  44   0.394  -1.612  -3.661
  143   1HB   CYS  44          2HB       CYS  44   1.417  -2.040  -1.544
  144   2HB   CYS  44          1HB       CYS  44   2.569  -3.164  -2.259
  145    HG   CYS  44           HG       CYS  44   4.216  -1.359  -3.337
  146    H    ILE  45           H        ILE  45   2.994  -3.977  -4.211
  147    HA   ILE  45           HA       ILE  45   4.370  -2.631  -6.178
  148    HB   ILE  45           HB       ILE  45   4.010  -5.626  -6.040
  149   1HG1  ILE  45          2HG1      ILE  45   6.028  -3.855  -4.642
  150   2HG1  ILE  45          1HG1      ILE  45   4.669  -4.656  -3.865
  151   1HG2  ILE  45          2HG2      ILE  45   6.213  -3.918  -7.191
  152   2HG2  ILE  45          1HG2      ILE  45   6.256  -5.675  -7.052
  153   3HG2  ILE  45          3HG2      ILE  45   5.063  -4.903  -8.095
  154   1HD1  ILE  45          2HD1      ILE  45   5.632  -6.830  -4.473
  155   2HD1  ILE  45          1HD1      ILE  45   7.014  -6.000  -5.188
  156   3HD1  ILE  45          3HD1      ILE  45   6.709  -5.872  -3.456
  157    H    SER  46           H        SER  46   1.911  -5.154  -6.720
  158    HA   SER  46           HA       SER  46   1.893  -5.073  -9.495
  159   1HB   SER  46          2HB       SER  46  -0.308  -6.145  -9.356
  160   2HB   SER  46          1HB       SER  46   0.810  -6.841  -8.183
  161    HG   SER  46           HG       SER  46  -1.554  -5.703  -7.738
  162    H    THR  47           H        THR  47   0.843  -2.635  -7.375
  163    HA   THR  47           HA       THR  47  -0.676  -1.389  -9.574
  164    HB   THR  47           HB       THR  47  -2.150  -0.314  -7.980
  165    HG1  THR  47           HG1      THR  47  -0.598  -0.252  -6.228
  166   1HG2  THR  47          3HG2      THR  47  -1.946  -3.283  -7.459
  167   2HG2  THR  47          2HG2      THR  47  -3.355  -2.274  -7.123
  168   3HG2  THR  47          1HG2      THR  47  -2.821  -2.519  -8.788
  169    H    LEU  48           H        LEU  48   2.105  -1.143  -7.803
  170    HA   LEU  48           HA       LEU  48   2.017   1.764  -7.564
  171   1HB   LEU  48          2HB       LEU  48   2.988   0.167  -5.796
  172   2HB   LEU  48          1HB       LEU  48   4.372   0.044  -6.865
  173    HG   LEU  48           HG       LEU  48   3.442   2.763  -6.058
  174   1HD1  LEU  48          1HD1      LEU  48   3.485   1.469  -3.967
  175   2HD1  LEU  48          3HD1      LEU  48   5.148   0.990  -4.315
  176   3HD1  LEU  48          2HD1      LEU  48   4.759   2.688  -4.032
  177   1HD2  LEU  48          1HD2      LEU  48   5.259   2.402  -7.710
  178   2HD2  LEU  48          3HD2      LEU  48   5.767   3.303  -6.281
  179   3HD2  LEU  48          2HD2      LEU  48   6.194   1.599  -6.447
  180    H    GLU  49           H        GLU  49   4.541  -0.467  -8.782
  181    HA   GLU  49           HA       GLU  49   4.752   1.218 -11.164
  182   1HB   GLU  49          2HB       GLU  49   6.375   2.147  -9.609
  183   2HB   GLU  49          1HB       GLU  49   7.081   0.556  -9.360
  184   1HG   GLU  49          2HG       GLU  49   8.451   1.887 -10.848
  185   2HG   GLU  49          1HG       GLU  49   7.780   0.495 -11.697
  186    H    VAL  50           H        VAL  50   6.615  -1.447  -9.698
  187    HA   VAL  50           HA       VAL  50   6.521  -2.828 -12.288
  188    HB   VAL  50           HB       VAL  50   8.431  -4.104 -11.554
  189   1HG1  VAL  50          2HG1      VAL  50   8.797  -1.831 -12.475
  190   2HG1  VAL  50          1HG1      VAL  50   8.865  -1.210 -10.825
  191   3HG1  VAL  50          3HG1      VAL  50  10.082  -2.358 -11.387
  192   1HG2  VAL  50          2HG2      VAL  50   8.096  -2.687  -8.912
  193   2HG2  VAL  50          1HG2      VAL  50   7.873  -4.408  -9.222
  194   3HG2  VAL  50          3HG2      VAL  50   9.478  -3.690  -9.352
  195    H    GLU  51           H        GLU  51   7.067  -5.382 -11.568
  196    HA   GLU  51           HA       GLU  51   4.586  -6.213 -10.234
  197   1HB   GLU  51          2HB       GLU  51   5.005  -8.403 -11.351
  198   2HB   GLU  51          1HB       GLU  51   4.801  -7.069 -12.479
  199   1HG   GLU  51          2HG       GLU  51   7.170  -6.953 -12.852
  200   2HG   GLU  51          1HG       GLU  51   7.467  -8.159 -11.602
  201    H    GLU  52           H        GLU  52   5.093  -8.716  -9.401
  202    HA   GLU  52           HA       GLU  52   6.776  -8.266  -7.119
  203   1HB   GLU  52          2HB       GLU  52   5.379 -10.796  -8.007
  204   2HB   GLU  52          1HB       GLU  52   6.087 -10.510  -6.424
  205   1HG   GLU  52          2HG       GLU  52   4.479  -8.696  -6.047
  206   2HG   GLU  52          1HG       GLU  52   3.757  -9.028  -7.621
  207    H    THR  53           H        THR  53   8.719  -7.889  -8.435
  208    HA   THR  53           HA       THR  53  10.235 -10.372  -8.713
  209    HB   THR  53           HB       THR  53  11.291  -9.582 -10.807
  210    HG1  THR  53           HG1      THR  53  10.167  -7.866 -11.937
  211   1HG2  THR  53          3HG2      THR  53   8.284  -9.843 -10.966
  212   2HG2  THR  53          2HG2      THR  53   9.410 -10.074 -12.305
  213   3HG2  THR  53          1HG2      THR  53   9.441 -11.175 -10.926
  214    H    ASP  54           H        ASP  54  10.351  -6.841  -8.896
  215    HA   ASP  54           HA       ASP  54  13.072  -6.527  -8.275
  216   1HB   ASP  54          2HB       ASP  54  11.777  -4.746  -9.297
  217   2HB   ASP  54          1HB       ASP  54  10.712  -4.668  -7.899
  218    HA   PRO  55           HA       PRO  55  13.441  -7.440  -3.955
  219   1HB   PRO  55          2HB       PRO  55  15.020  -5.259  -3.207
  220   2HB   PRO  55          1HB       PRO  55  15.610  -6.809  -3.814
  221   1HG   PRO  55          2HG       PRO  55  15.178  -4.240  -5.271
  222   2HG   PRO  55          1HG       PRO  55  16.472  -5.439  -5.463
  223   1HD   PRO  55          2HD       PRO  55  14.477  -5.291  -7.224
  224   2HD   PRO  55          1HD       PRO  55  15.130  -6.866  -6.722
  225    H    LEU  56           H        LEU  56  11.847  -4.711  -5.120
  226    HA   LEU  56           HA       LEU  56  11.348  -3.106  -2.942
  227   1HB   LEU  56          2HB       LEU  56  10.539  -2.609  -5.186
  228   2HB   LEU  56          1HB       LEU  56   9.430  -3.963  -5.111
  229    HG   LEU  56           HG       LEU  56   8.322  -2.771  -3.153
  230   1HD1  LEU  56          1HD1      LEU  56  10.012  -0.510  -4.207
  231   2HD1  LEU  56          3HD1      LEU  56   8.639  -0.317  -3.119
  232   3HD1  LEU  56          2HD1      LEU  56  10.066  -1.209  -2.589
  233   1HD2  LEU  56          3HD2      LEU  56   7.379  -2.884  -5.424
  234   2HD2  LEU  56          2HD2      LEU  56   6.991  -1.369  -4.608
  235   3HD2  LEU  56          1HD2      LEU  56   8.251  -1.408  -5.842
  236    H    CYS  57           H        CYS  57  10.130  -6.296  -3.634
  237    HA   CYS  57           HA       CYS  57   8.022  -6.311  -1.727
  238   1HB   CYS  57          2HB       CYS  57   7.959  -7.902  -3.521
  239   2HB   CYS  57          1HB       CYS  57   9.543  -8.535  -3.091
  240    HG   CYS  57           HG       CYS  57   8.693 -10.386  -1.534
  241    H    GLN  58           H        GLN  58  11.404  -7.327  -1.654
  242    HA   GLN  58           HA       GLN  58  11.391  -8.544   0.872
  243   1HB   GLN  58          2HB       GLN  58  13.238  -8.855  -0.665
  244   2HB   GLN  58          1HB       GLN  58  13.621  -7.140  -0.607
  245   1HG   GLN  58          2HG       GLN  58  14.194  -7.359   1.766
  246   2HG   GLN  58          1HG       GLN  58  13.838  -9.084   1.681
  247   1HE2  GLN  58          1HE2      GLN  58  16.326  -7.694   2.343
  248   2HE2  GLN  58          2HE2      GLN  58  17.509  -8.282   1.230
  249    H    ARG  59           H        ARG  59  12.065  -5.197  -0.091
  250    HA   ARG  59           HA       ARG  59  12.790  -4.197   2.410
  251   1HB   ARG  59          2HB       ARG  59  11.683  -2.997  -0.087
  252   2HB   ARG  59          1HB       ARG  59  11.706  -2.011   1.368
  253   1HG   ARG  59          2HG       ARG  59  13.678  -1.609   0.018
  254   2HG   ARG  59          1HG       ARG  59  14.119  -2.342   1.561
  255   1HD   ARG  59          2HD       ARG  59  14.261  -4.536   0.447
  256   2HD   ARG  59          1HD       ARG  59  13.885  -3.761  -1.091
  257    HE   ARG  59           HE       ARG  59  16.021  -2.387  -0.432
  258   1HH1  ARG  59          1HH1      ARG  59  15.457  -5.806  -0.066
  259   2HH1  ARG  59          2HH1      ARG  59  17.128  -6.230  -0.229
  260   1HH2  ARG  59          1HH2      ARG  59  18.222  -2.936  -0.648
  261   2HH2  ARG  59          2HH2      ARG  59  18.700  -4.599  -0.560
  262    H    LEU  60           H        LEU  60   9.587  -4.045   0.842
  263    HA   LEU  60           HA       LEU  60   8.219  -2.955   3.024
  264   1HB   LEU  60          2HB       LEU  60   7.133  -4.789   0.887
  265   2HB   LEU  60          1HB       LEU  60   6.179  -3.749   1.927
  266    HG   LEU  60           HG       LEU  60   8.198  -2.765  -0.093
  267   1HD1  LEU  60          1HD1      LEU  60   6.283  -3.837  -1.173
  268   2HD1  LEU  60          3HD1      LEU  60   5.185  -2.823  -0.235
  269   3HD1  LEU  60          2HD1      LEU  60   6.269  -2.090  -1.418
  270   1HD2  LEU  60          2HD2      LEU  60   7.861  -1.267   1.826
  271   2HD2  LEU  60          1HD2      LEU  60   7.225  -0.580   0.331
  272   3HD2  LEU  60          3HD2      LEU  60   6.124  -1.279   1.519
  273    H    ARG  61           H        ARG  61   9.113  -6.253   2.289
  274    HA   ARG  61           HA       ARG  61   7.380  -7.514   4.147
  275   1HB   ARG  61          2HB       ARG  61   8.430  -8.712   2.269
  276   2HB   ARG  61          1HB       ARG  61  10.008  -8.490   3.015
  277   1HG   ARG  61          2HG       ARG  61   9.362  -9.869   4.887
  278   2HG   ARG  61          1HG       ARG  61   7.724 -10.017   4.249
  279   1HD   ARG  61          2HD       ARG  61   8.623 -11.144   2.256
  280   2HD   ARG  61          1HD       ARG  61  10.246 -11.027   2.937
  281    HE   ARG  61           HE       ARG  61   9.089 -12.359   4.868
  282   1HH1  ARG  61          1HH1      ARG  61   8.636 -12.751   1.435
  283   2HH1  ARG  61          2HH1      ARG  61   8.254 -14.436   1.548
  284   1HH2  ARG  61          1HH2      ARG  61   8.587 -14.577   5.025
  285   2HH2  ARG  61          2HH2      ARG  61   8.225 -15.474   3.588
  286    H    GLU  62           H        GLU  62  10.672  -6.260   4.366
  287    HA   GLU  62           HA       GLU  62  11.396  -7.329   6.835
  288   1HB   GLU  62          2HB       GLU  62  12.149  -4.701   5.551
  289   2HB   GLU  62          1HB       GLU  62  12.898  -5.311   7.020
  290   1HG   GLU  62          2HG       GLU  62  12.928  -6.669   4.334
  291   2HG   GLU  62          1HG       GLU  62  14.259  -5.767   5.054
  292    H    ASN  63           H        ASN  63  10.195  -4.012   6.274
  293    HA   ASN  63           HA       ASN  63   9.588  -3.661   9.052
  294   1HB   ASN  63          2HB       ASN  63   8.946  -1.982   6.620
  295   2HB   ASN  63          1HB       ASN  63   8.537  -1.513   8.265
  296   1HD2  ASN  63          1HD2      ASN  63  11.475  -3.201   7.356
  297   2HD2  ASN  63          2HD2      ASN  63  12.553  -1.901   7.716
  298    H    ASP  64           H        ASP  64   8.132  -5.311   9.559
  299    HA   ASP  64           HA       ASP  64   5.790  -5.926   8.168
  300   1HB   ASP  64          2HB       ASP  64   5.004  -6.899  10.328
  301   2HB   ASP  64          1HB       ASP  64   6.627  -7.411   9.878
  302    H    ILE  65           H        ILE  65   4.373  -4.407   7.578
  303    HA   ILE  65           HA       ILE  65   3.266  -2.667   9.684
  304    HB   ILE  65           HB       ILE  65   3.725  -1.909   6.796
  305   1HG1  ILE  65          2HG1      ILE  65   5.787  -1.921   8.152
  306   2HG1  ILE  65          1HG1      ILE  65   5.336  -0.294   7.660
  307   1HG2  ILE  65          3HG2      ILE  65   2.506  -0.347   9.066
  308   2HG2  ILE  65          2HG2      ILE  65   2.931   0.322   7.491
  309   3HG2  ILE  65          1HG2      ILE  65   1.685  -0.919   7.615
  310   1HD1  ILE  65          1HD1      ILE  65   4.793  -1.491  10.367
  311   2HD1  ILE  65          3HD1      ILE  65   6.135  -0.415   9.976
  312   3HD1  ILE  65          2HD1      ILE  65   4.474   0.169   9.863
  313    H    VAL  66           H        VAL  66   1.140  -2.846   9.952
  314    HA   VAL  66           HA       VAL  66  -0.396  -4.524   8.172
  315    HB   VAL  66           HB       VAL  66  -0.656  -4.632  10.643
  316   1HG1  VAL  66          1HG1      VAL  66  -0.435  -2.253  11.131
  317   2HG1  VAL  66          3HG1      VAL  66  -1.970  -1.939  10.323
  318   3HG1  VAL  66          2HG1      VAL  66  -1.932  -2.904  11.799
  319   1HG2  VAL  66          1HG2      VAL  66  -2.423  -5.432   9.123
  320   2HG2  VAL  66          3HG2      VAL  66  -3.064  -4.841  10.655
  321   3HG2  VAL  66          2HG2      VAL  66  -3.187  -3.844   9.207
  322    H    GLY  67           H        GLY  67  -2.571  -3.814   7.418
  323   1HA   GLY  67          1HA       GLY  67  -3.861  -2.427   6.121
  324   2HA   GLY  67          2HA       GLY  67  -2.374  -1.565   5.756
  325    H    ASP  68           H        ASP  68  -3.443  -1.847   9.042
  326    HA   ASP  68           HA       ASP  68  -4.914   0.616   9.091
  327   1HB   ASP  68          2HB       ASP  68  -5.400  -1.234  10.651
  328   2HB   ASP  68          1HB       ASP  68  -3.805  -1.032  11.375
  329    H    LEU  69           H        LEU  69  -1.617  -0.225   9.247
  330    HA   LEU  69           HA       LEU  69  -0.910   2.319  10.526
  331   1HB   LEU  69          2HB       LEU  69   0.427  -0.316  10.264
  332   2HB   LEU  69          1HB       LEU  69   1.454   1.103  10.300
  333    HG   LEU  69           HG       LEU  69   0.705   1.704  12.485
  334   1HD1  LEU  69          3HD1      LEU  69  -1.324  -0.507  12.204
  335   2HD1  LEU  69          2HD1      LEU  69  -0.990   0.373  13.694
  336   3HD1  LEU  69          1HD1      LEU  69  -1.651   1.223  12.297
  337   1HD2  LEU  69          3HD2      LEU  69   2.400  -0.056  12.362
  338   2HD2  LEU  69          2HD2      LEU  69   1.371  -0.240  13.782
  339   3HD2  LEU  69          1HD2      LEU  69   1.127  -1.278  12.377
  340    H    LEU  70           H        LEU  70  -1.434   1.193   7.496
  341    HA   LEU  70           HA       LEU  70   0.820   2.030   6.053
  342   1HB   LEU  70          2HB       LEU  70  -2.077   1.781   5.293
  343   2HB   LEU  70          1HB       LEU  70  -0.873   2.341   4.151
  344    HG   LEU  70           HG       LEU  70  -0.810  -0.338   5.543
  345   1HD1  LEU  70          3HD1      LEU  70  -2.670  -0.177   3.973
  346   2HD1  LEU  70          2HD1      LEU  70  -1.565   0.371   2.712
  347   3HD1  LEU  70          1HD1      LEU  70  -1.416  -1.260   3.367
  348   1HD2  LEU  70          3HD2      LEU  70   0.881   0.797   3.317
  349   2HD2  LEU  70          2HD2      LEU  70   1.410   0.482   4.970
  350   3HD2  LEU  70          1HD2      LEU  70   0.951  -0.859   3.921
  351    HA   PRO  71           HA       PRO  71  -1.369   6.343   5.580
  352   1HB   PRO  71          2HB       PRO  71  -3.184   6.411   7.901
  353   2HB   PRO  71          1HB       PRO  71  -3.488   6.889   6.229
  354   1HG   PRO  71          2HG       PRO  71  -4.588   4.684   7.259
  355   2HG   PRO  71          1HG       PRO  71  -4.020   4.729   5.578
  356   1HD   PRO  71          2HD       PRO  71  -2.681   3.562   7.996
  357   2HD   PRO  71          1HD       PRO  71  -2.851   2.882   6.366
  358    H    GLU  72           H        GLU  72  -0.242   4.769   8.351
  359    HA   GLU  72           HA       GLU  72   0.409   7.212   9.801
  360   1HB   GLU  72          2HB       GLU  72   1.102   4.355  10.498
  361   2HB   GLU  72          1HB       GLU  72   1.198   5.752  11.561
  362   1HG   GLU  72          2HG       GLU  72  -1.341   4.649  10.378
  363   2HG   GLU  72          1HG       GLU  72  -0.754   4.331  12.010
  364    H    LEU  73           H        LEU  73   1.838   5.001   7.597
  365    HA   LEU  73           HA       LEU  73   4.545   5.227   8.271
  366   1HB   LEU  73          2HB       LEU  73   3.293   4.823   5.558
  367   2HB   LEU  73          1HB       LEU  73   4.985   4.561   5.935
  368    HG   LEU  73           HG       LEU  73   2.683   3.022   7.139
  369   1HD1  LEU  73          1HD1      LEU  73   4.680   2.235   5.022
  370   2HD1  LEU  73          3HD1      LEU  73   3.498   1.161   5.772
  371   3HD1  LEU  73          2HD1      LEU  73   2.957   2.514   4.778
  372   1HD2  LEU  73          1HD2      LEU  73   5.667   2.644   7.366
  373   2HD2  LEU  73          3HD2      LEU  73   4.580   3.175   8.650
  374   3HD2  LEU  73          2HD2      LEU  73   4.441   1.542   7.997
  375    H    CYS  74           H        CYS  74   2.616   7.107   5.962
  376    HA   CYS  74           HA       CYS  74   2.895   9.179   5.062
  377   1HB   CYS  74          2HB       CYS  74   4.837   9.564   7.353
  378   2HB   CYS  74          1HB       CYS  74   4.186  10.847   6.338
  379    HG   CYS  74           HG       CYS  74   3.051  10.055   9.137
  380    H    LEU  75           H        LEU  75   4.706  10.721   4.182
  381    HA   LEU  75           HA       LEU  75   6.268   9.223   2.400
  382   1HB   LEU  75          2HB       LEU  75   6.349  12.122   3.199
  383   2HB   LEU  75          1HB       LEU  75   7.450  11.457   2.007
  384    HG   LEU  75           HG       LEU  75   5.619  12.541   0.881
  385   1HD1  LEU  75          2HD1      LEU  75   6.512  10.518  -0.151
  386   2HD1  LEU  75          1HD1      LEU  75   5.322   9.547   0.714
  387   3HD1  LEU  75          3HD1      LEU  75   4.794  10.713  -0.498
  388   1HD2  LEU  75          3HD2      LEU  75   3.972  12.408   2.691
  389   2HD2  LEU  75          2HD2      LEU  75   3.308  11.840   1.158
  390   3HD2  LEU  75          1HD2      LEU  75   3.792  10.679   2.394
  391    H    GLN  76           H        GLN  76   6.805   9.891   5.655
  392    HA   GLN  76           HA       GLN  76   9.663  10.037   5.593
  393   1HB   GLN  76          2HB       GLN  76   8.355  10.983   7.451
  394   2HB   GLN  76          1HB       GLN  76   7.804   9.370   7.883
  395   1HG   GLN  76          2HG       GLN  76   9.593  10.120   9.345
  396   2HG   GLN  76          1HG       GLN  76  10.080   8.709   8.407
  397   1HE2  GLN  76          1HE2      GLN  76  11.609   8.948   6.764
  398   2HE2  GLN  76          2HE2      GLN  76  12.638  10.333   6.667
  399    H    ASP  77           H        ASP  77   7.481   7.522   6.878
  400    HA   ASP  77           HA       ASP  77   9.508   5.545   7.003
  401   1HB   ASP  77          2HB       ASP  77   6.494   5.339   7.065
  402   2HB   ASP  77          1HB       ASP  77   7.567   3.966   7.317
  403    H    CYS  78           H        CYS  78   7.118   6.418   4.587
  404    HA   CYS  78           HA       CYS  78   7.326   4.156   2.938
  405   1HB   CYS  78          2HB       CYS  78   6.656   7.028   2.269
  406   2HB   CYS  78          1HB       CYS  78   6.485   5.692   1.138
  407    HG   CYS  78           HG       CYS  78   4.925   4.948   3.935
  408    H    GLN  79           H        GLN  79   8.951   7.322   2.641
  409    HA   GLN  79           HA       GLN  79  10.589   6.587   0.479
  410   1HB   GLN  79          2HB       GLN  79  10.096   8.931   1.417
  411   2HB   GLN  79          1HB       GLN  79  11.385   8.605   2.567
  412   1HG   GLN  79          2HG       GLN  79  12.018   9.903   0.506
  413   2HG   GLN  79          1HG       GLN  79  13.013   8.494   0.874
  414   1HE2  GLN  79          1HE2      GLN  79  10.607   9.847  -1.231
  415   2HE2  GLN  79          2HE2      GLN  79  10.765   8.685  -2.497
  416    H    ASP  80           H        ASP  80  10.879   6.127   3.917
  417    HA   ASP  80           HA       ASP  80  13.630   5.433   3.993
  418   1HB   ASP  80          2HB       ASP  80  12.339   6.069   6.006
  419   2HB   ASP  80          1HB       ASP  80  11.382   4.596   5.846
  420    H    LEU  81           H        LEU  81  10.688   3.727   3.294
  421    HA   LEU  81           HA       LEU  81  11.748   1.090   3.437
  422   1HB   LEU  81          2HB       LEU  81   9.229   2.369   2.883
  423   2HB   LEU  81          1HB       LEU  81   9.538   1.133   1.685
  424    HG   LEU  81           HG       LEU  81   9.413  -0.593   3.232
  425   1HD1  LEU  81          1HD1      LEU  81   9.983   1.440   5.383
  426   2HD1  LEU  81          3HD1      LEU  81   9.544  -0.238   5.694
  427   3HD1  LEU  81          2HD1      LEU  81  11.037   0.135   4.835
  428   1HD2  LEU  81          2HD2      LEU  81   7.245   0.507   2.965
  429   2HD2  LEU  81          1HD2      LEU  81   7.416  -0.210   4.568
  430   3HD2  LEU  81          3HD2      LEU  81   7.598   1.533   4.357
  431    H    CYS  82           H        CYS  82  12.100   3.603   1.219
  432    HA   CYS  82           HA       CYS  82  12.857   1.744  -0.933
  433   1HB   CYS  82          2HB       CYS  82  11.134   3.393  -1.554
  434   2HB   CYS  82          1HB       CYS  82  12.222   4.699  -1.099
  435    HG   CYS  82           HG       CYS  82  13.973   3.041  -3.174
  436    H    ASP  83           H        ASP  83  14.791   2.292  -2.175
  437    HA   ASP  83           HA       ASP  83  17.039   2.684  -0.562
  438   1HB   ASP  83          2HB       ASP  83  18.307   2.808  -2.673
  439   2HB   ASP  83          1HB       ASP  83  17.147   1.484  -2.686
  440    H    GLY  84           H        GLY  84  14.950   4.958  -2.081
  441   1HA   GLY  84          1HA       GLY  84  16.898   7.125  -1.625
  442   2HA   GLY  84          2HA       GLY  84  15.284   7.221  -0.939
  443    H    ASP  85           H        ASP  85  13.628   6.475  -2.888
  444    HA   ASP  85           HA       ASP  85  14.176   8.412  -5.039
  445   1HB   ASP  85          2HB       ASP  85  14.412   6.138  -5.920
  446   2HB   ASP  85          1HB       ASP  85  12.808   5.728  -5.319
  447    H    LEU  86           H        LEU  86  12.747  10.018  -5.032
  448    HA   LEU  86           HA       LEU  86  10.530  10.197  -3.381
  449   1HB   LEU  86          2HB       LEU  86  11.555  11.678  -5.737
  450   2HB   LEU  86          1HB       LEU  86   9.895  11.960  -5.280
  451    HG   LEU  86           HG       LEU  86  11.270  13.653  -4.282
  452   1HD1  LEU  86          1HD1      LEU  86  10.421  11.639  -2.207
  453   2HD1  LEU  86          3HD1      LEU  86  10.760  13.344  -1.912
  454   3HD1  LEU  86          2HD1      LEU  86   9.401  12.880  -2.935
  455   1HD2  LEU  86          2HD2      LEU  86  13.390  12.454  -4.341
  456   2HD2  LEU  86          1HD2      LEU  86  13.078  13.109  -2.733
  457   3HD2  LEU  86          3HD2      LEU  86  12.835  11.391  -3.049
  458    H    ASN  87           H        ASN  87  10.546   9.741  -6.915
  459    HA   ASN  87           HA       ASN  87   7.920   9.487  -7.472
  460   1HB   ASN  87          2HB       ASN  87  10.246   7.895  -8.532
  461   2HB   ASN  87          1HB       ASN  87   8.622   7.734  -9.199
  462   1HD2  ASN  87          1HD2      ASN  87   7.694   9.497 -10.270
  463   2HD2  ASN  87          2HD2      ASN  87   8.658  10.788 -10.892
  464    H    LYS  88           H        LYS  88   9.890   7.083  -5.823
  465    HA   LYS  88           HA       LYS  88   7.979   4.987  -5.931
  466   1HB   LYS  88          2HB       LYS  88  10.620   5.321  -5.025
  467   2HB   LYS  88          1HB       LYS  88   9.685   4.804  -3.636
  468   1HG   LYS  88          2HG       LYS  88  10.601   2.879  -4.731
  469   2HG   LYS  88          1HG       LYS  88   8.848   2.886  -4.938
  470   1HD   LYS  88          2HD       LYS  88   9.191   3.922  -7.183
  471   2HD   LYS  88          1HD       LYS  88  10.928   3.698  -6.965
  472   1HE   LYS  88          2HE       LYS  88  10.086   1.874  -8.272
  473   2HE   LYS  88          1HE       LYS  88  10.519   1.267  -6.675
  474   1HZ   LYS  88          2HZ       LYS  88   8.181   1.374  -6.050
  475   2HZ   LYS  88          1HZ       LYS  88   7.774   1.928  -7.595
  476   3HZ   LYS  88          3HZ       LYS  88   8.407   0.372  -7.394
  477    H    ALA  89           H        ALA  89   9.052   6.939  -3.149
  478    HA   ALA  89           HA       ALA  89   7.020   6.141  -1.407
  479   1HB   ALA  89          2HB       ALA  89   9.149   7.325  -0.799
  480   2HB   ALA  89          3HB       ALA  89   7.699   7.914   0.016
  481   3HB   ALA  89          1HB       ALA  89   8.384   8.823  -1.333
  482    H    ILE  90           H        ILE  90   7.228   9.143  -3.317
  483    HA   ILE  90           HA       ILE  90   4.862  10.323  -2.593
  484    HB   ILE  90           HB       ILE  90   5.979  10.337  -5.394
  485   1HG1  ILE  90          2HG1      ILE  90   6.692  12.049  -2.999
  486   2HG1  ILE  90          1HG1      ILE  90   7.731  10.862  -3.769
  487   1HG2  ILE  90          2HG2      ILE  90   3.734  11.293  -5.176
  488   2HG2  ILE  90          1HG2      ILE  90   4.317  12.370  -3.908
  489   3HG2  ILE  90          3HG2      ILE  90   4.930  12.533  -5.554
  490   1HD1  ILE  90          3HD1      ILE  90   7.634  12.233  -5.848
  491   2HD1  ILE  90          2HD1      ILE  90   6.778  13.465  -4.921
  492   3HD1  ILE  90          1HD1      ILE  90   8.426  13.017  -4.479
  493    H    LYS  91           H        LYS  91   5.291   8.121  -5.390
  494    HA   LYS  91           HA       LYS  91   2.547   8.038  -6.057
  495   1HB   LYS  91          2HB       LYS  91   4.801   6.113  -6.638
  496   2HB   LYS  91          1HB       LYS  91   3.182   5.929  -7.297
  497   1HG   LYS  91          2HG       LYS  91   4.891   8.366  -7.725
  498   2HG   LYS  91          1HG       LYS  91   4.827   6.997  -8.834
  499   1HD   LYS  91          2HD       LYS  91   2.448   7.356  -9.177
  500   2HD   LYS  91          1HD       LYS  91   2.461   8.678  -8.008
  501   1HE   LYS  91          2HE       LYS  91   2.505   9.497 -10.320
  502   2HE   LYS  91          1HE       LYS  91   3.958   9.954  -9.432
  503   1HZ   LYS  91          1HZ       LYS  91   5.125   8.110 -10.486
  504   2HZ   LYS  91          3HZ       LYS  91   3.732   7.701 -11.355
  505   3HZ   LYS  91          2HZ       LYS  91   4.506   9.177 -11.642
  506    H    PHE  92           H        PHE  92   4.500   6.216  -3.816
  507    HA   PHE  92           HA       PHE  92   2.762   4.052  -3.369
  508   1HB   PHE  92          2HB       PHE  92   5.109   4.047  -2.673
  509   2HB   PHE  92          1HB       PHE  92   4.785   5.329  -1.516
  510    HD1  PHE  92           HD1      PHE  92   2.688   2.335  -2.168
  511    HD2  PHE  92           HD2      PHE  92   5.375   4.304   0.480
  512    HE1  PHE  92           HE1      PHE  92   2.215   0.647  -0.440
  513    HE2  PHE  92           HE2      PHE  92   4.905   2.620   2.214
  514    HZ   PHE  92           HZ       PHE  92   3.326   0.788   1.754
  515    H    LYS  93           H        LYS  93   3.335   6.840  -1.216
  516    HA   LYS  93           HA       LYS  93   1.234   6.436   0.526
  517   1HB   LYS  93          2HB       LYS  93   2.980   8.051   0.976
  518   2HB   LYS  93          1HB       LYS  93   2.473   9.034  -0.389
  519   1HG   LYS  93          2HG       LYS  93   1.719  10.047   1.651
  520   2HG   LYS  93          1HG       LYS  93   0.324   9.452   0.748
  521   1HD   LYS  93          2HD       LYS  93   0.190   7.501   2.177
  522   2HD   LYS  93          1HD       LYS  93   1.654   7.993   3.031
  523   1HE   LYS  93          2HE       LYS  93   0.531   9.989   3.845
  524   2HE   LYS  93          1HE       LYS  93  -0.923   9.560   2.944
  525   1HZ   LYS  93          3HZ       LYS  93   0.267   7.952   5.141
  526   2HZ   LYS  93          2HZ       LYS  93  -1.084   8.958   5.290
  527   3HZ   LYS  93          1HZ       LYS  93  -1.154   7.588   4.300
  528    H    ILE  94           H        ILE  94   1.218   8.064  -2.604
  529    HA   ILE  94           HA       ILE  94  -1.324   9.228  -2.468
  530    HB   ILE  94           HB       ILE  94   0.342   8.281  -4.780
  531   1HG1  ILE  94          2HG1      ILE  94  -0.609  11.039  -3.976
  532   2HG1  ILE  94          1HG1      ILE  94   0.949  10.357  -3.521
  533   1HG2  ILE  94          3HG2      ILE  94  -2.390   9.544  -4.941
  534   2HG2  ILE  94          2HG2      ILE  94  -1.297   9.299  -6.304
  535   3HG2  ILE  94          1HG2      ILE  94  -1.960   7.908  -5.441
  536   1HD1  ILE  94          2HD1      ILE  94   1.558  10.204  -5.886
  537   2HD1  ILE  94          1HD1      ILE  94   0.005  10.916  -6.324
  538   3HD1  ILE  94          3HD1      ILE  94   1.180  11.858  -5.403
  539    H    LEU  95           H        LEU  95  -0.438   6.218  -4.163
  540    HA   LEU  95           HA       LEU  95  -2.936   5.326  -4.833
  541   1HB   LEU  95          2HB       LEU  95  -0.581   3.680  -3.918
  542   2HB   LEU  95          1HB       LEU  95  -1.992   3.030  -4.728
  543    HG   LEU  95           HG       LEU  95  -0.093   5.048  -5.925
  544   1HD1  LEU  95          3HD1      LEU  95  -0.386   2.091  -6.430
  545   2HD1  LEU  95          2HD1      LEU  95   0.655   3.195  -7.330
  546   3HD1  LEU  95          1HD1      LEU  95   0.970   2.882  -5.623
  547   1HD2  LEU  95          3HD2      LEU  95  -2.406   3.524  -7.122
  548   2HD2  LEU  95          2HD2      LEU  95  -2.344   5.259  -6.811
  549   3HD2  LEU  95          1HD2      LEU  95  -1.277   4.542  -8.017
  550    H    ILE  96           H        ILE  96  -1.392   5.237  -1.695
  551    HA   ILE  96           HA       ILE  96  -3.204   3.434  -0.495
  552    HB   ILE  96           HB       ILE  96  -1.530   5.585   0.805
  553   1HG1  ILE  96          2HG1      ILE  96  -1.030   2.613   0.503
  554   2HG1  ILE  96          1HG1      ILE  96  -0.251   3.868  -0.454
  555   1HG2  ILE  96          3HG2      ILE  96  -2.958   3.224   2.028
  556   2HG2  ILE  96          2HG2      ILE  96  -1.839   4.292   2.876
  557   3HG2  ILE  96          1HG2      ILE  96  -3.362   4.926   2.253
  558   1HD1  ILE  96          3HD1      ILE  96   0.751   4.777   1.597
  559   2HD1  ILE  96          2HD1      ILE  96   0.010   3.467   2.515
  560   3HD1  ILE  96          1HD1      ILE  96   1.225   3.106   1.290
  561    H    ASN  97           H        ASN  97  -3.123   6.955  -0.743
  562    HA   ASN  97           HA       ASN  97  -5.319   7.533   0.888
  563   1HB   ASN  97          2HB       ASN  97  -3.825   9.286   0.122
  564   2HB   ASN  97          1HB       ASN  97  -4.279   8.988  -1.554
  565   1HD2  ASN  97          1HD2      ASN  97  -5.285  10.312   1.500
  566   2HD2  ASN  97          2HD2      ASN  97  -6.626  11.216   0.893
  567    H    LYS  98           H        LYS  98  -5.124   6.575  -2.490
  568    HA   LYS  98           HA       LYS  98  -7.843   7.038  -3.138
  569   1HB   LYS  98          2HB       LYS  98  -5.628   5.433  -4.356
  570   2HB   LYS  98          1HB       LYS  98  -7.270   5.223  -4.945
  571   1HG   LYS  98          2HG       LYS  98  -6.144   6.798  -6.343
  572   2HG   LYS  98          1HG       LYS  98  -7.367   7.654  -5.405
  573   1HD   LYS  98          2HD       LYS  98  -5.719   8.544  -3.929
  574   2HD   LYS  98          1HD       LYS  98  -4.464   7.505  -4.608
  575   1HE   LYS  98          2HE       LYS  98  -4.319   9.838  -5.406
  576   2HE   LYS  98          1HE       LYS  98  -4.567   8.679  -6.711
  577   1HZ   LYS  98          3HZ       LYS  98  -6.680  10.356  -5.467
  578   2HZ   LYS  98          2HZ       LYS  98  -5.965  10.633  -6.975
  579   3HZ   LYS  98          1HZ       LYS  98  -6.912   9.253  -6.729
  580    H    MET  99           H        MET  99  -6.090   4.221  -1.930
  581    HA   MET  99           HA       MET  99  -8.241   2.393  -2.115
  582   1HB   MET  99          2HB       MET  99  -5.844   1.754  -1.883
  583   2HB   MET  99          1HB       MET  99  -5.887   2.317  -0.219
  584   1HG   MET  99          2HG       MET  99  -6.102  -0.087  -0.313
  585   2HG   MET  99          1HG       MET  99  -7.581   0.642   0.309
  586   1HE   MET  99          3HE       MET  99  -7.347  -2.344  -0.693
  587   2HE   MET  99          2HE       MET  99  -8.895  -1.698  -0.149
  588   3HE   MET  99          1HE       MET  99  -8.786  -2.545  -1.691
  589    H    ARG 100           H        ARG 100  -7.309   4.753   0.276
  590    HA   ARG 100           HA       ARG 100  -8.952   3.740   2.379
  591   1HB   ARG 100          2HB       ARG 100  -7.002   5.169   2.814
  592   2HB   ARG 100          1HB       ARG 100  -7.787   6.501   1.978
  593   1HG   ARG 100          2HG       ARG 100  -9.521   6.582   3.663
  594   2HG   ARG 100          1HG       ARG 100  -8.824   5.180   4.477
  595   1HD   ARG 100          2HD       ARG 100  -6.774   6.449   4.900
  596   2HD   ARG 100          1HD       ARG 100  -7.470   7.847   4.084
  597    HE   ARG 100           HE       ARG 100  -9.279   7.389   5.996
  598   1HH1  ARG 100          1HH1      ARG 100  -5.799   7.545   6.122
  599   2HH1  ARG 100          2HH1      ARG 100  -5.756   8.139   7.748
  600   1HH2  ARG 100          1HH2      ARG 100  -9.230   8.173   8.138
  601   2HH2  ARG 100          2HH2      ARG 100  -7.706   8.496   8.894
  602    H    ASP 101           H        ASP 101  -9.295   6.432   0.079
  603    HA   ASP 101           HA       ASP 101 -11.958   7.053   0.951
  604   1HB   ASP 101          2HB       ASP 101 -10.403   8.747   0.005
  605   2HB   ASP 101          1HB       ASP 101 -10.515   7.941  -1.556
  606    H    SER 102           H        SER 102 -10.588   4.769  -1.129
  607    HA   SER 102           HA       SER 102 -11.449   3.172  -2.494
  608   1HB   SER 102          2HB       SER 102 -13.106   2.832  -0.707
  609   2HB   SER 102          1HB       SER 102 -14.124   4.088  -1.409
  610    HG   SER 102           HG       SER 102 -14.264   1.593  -1.966
  611    H    LYS 103           H        LYS 103 -12.813   2.841  -4.464
  612    HA   LYS 103           HA       LYS 103 -13.886   5.179  -5.750
  613   1HB   LYS 103          2HB       LYS 103 -11.451   5.484  -6.079
  614   2HB   LYS 103          1HB       LYS 103 -11.378   3.919  -6.874
  615   1HG   LYS 103          2HG       LYS 103 -12.715   4.696  -8.689
  616   2HG   LYS 103          1HG       LYS 103 -13.056   6.213  -7.854
  617   1HD   LYS 103          2HD       LYS 103 -10.676   6.796  -7.959
  618   2HD   LYS 103          1HD       LYS 103 -10.347   5.284  -8.807
  619   1HE   LYS 103          2HE       LYS 103 -12.185   7.460  -9.800
  620   2HE   LYS 103          1HE       LYS 103 -10.514   7.240 -10.317
  621   1HZ   LYS 103          3HZ       LYS 103 -12.698   5.255 -10.659
  622   2HZ   LYS 103          2HZ       LYS 103 -12.075   6.249 -11.877
  623   3HZ   LYS 103          1HZ       LYS 103 -11.097   5.062 -11.174
  624    H    LEU 104           H        LEU 104 -15.724   4.258  -6.404
  625    HA   LEU 104           HA       LEU 104 -15.607   1.633  -7.720
  626   1HB   LEU 104          2HB       LEU 104 -17.973   3.139  -6.598
  627   2HB   LEU 104          1HB       LEU 104 -18.044   1.555  -7.346
  628    HG   LEU 104           HG       LEU 104 -16.511   2.188  -4.823
  629   1HD1  LEU 104          3HD1      LEU 104 -19.180   0.837  -5.193
  630   2HD1  LEU 104          2HD1      LEU 104 -18.289   0.953  -3.676
  631   3HD1  LEU 104          1HD1      LEU 104 -18.900   2.413  -4.454
  632   1HD2  LEU 104          2HD2      LEU 104 -15.586   0.319  -6.100
  633   2HD2  LEU 104          1HD2      LEU 104 -16.338  -0.236  -4.604
  634   3HD2  LEU 104          3HD2      LEU 104 -17.177  -0.441  -6.142
  635    H    GLU 105           H        GLU 105 -17.784   4.435  -8.052
  636    HA   GLU 105           HA       GLU 105 -17.001   5.016 -10.721
  637   1HB   GLU 105          2HB       GLU 105 -18.354   2.807 -10.860
  638   2HB   GLU 105          1HB       GLU 105 -19.753   3.823 -10.547
  639   1HG   GLU 105          2HG       GLU 105 -17.835   4.178 -12.839
  640   2HG   GLU 105          1HG       GLU 105 -19.404   3.381 -12.936
  641    H    TRP 106           H        TRP 106 -16.947   7.105  -9.907
  642    HA   TRP 106           HA       TRP 106 -19.576   8.376  -9.652
  643   1HB   TRP 106          2HB       TRP 106 -17.233   8.847  -7.793
  644   2HB   TRP 106          1HB       TRP 106 -18.716   9.797  -7.807
  645    HD1  TRP 106           HD1      TRP 106 -20.940   7.691  -7.804
  646    HE1  TRP 106           HE1      TRP 106 -21.268   6.065  -5.835
  647    HE3  TRP 106           HE3      TRP 106 -16.242   7.889  -5.797
  648    HZ2  TRP 106           HZ2      TRP 106 -19.738   5.006  -3.715
  649    HZ3  TRP 106           HZ3      TRP 106 -15.757   6.538  -3.799
  650    HH2  TRP 106           HH2      TRP 106 -17.469   5.128  -2.780
  651    H    LYS 107           H        LYS 107 -17.083   8.145 -11.517
  652    HA   LYS 107           HA       LYS 107 -16.622  11.020 -11.896
  653   1HB   LYS 107          2HB       LYS 107 -14.603   9.656 -11.641
  654   2HB   LYS 107          1HB       LYS 107 -15.104   8.645 -12.990
  655   1HG   LYS 107          2HG       LYS 107 -15.003  10.675 -14.443
  656   2HG   LYS 107          1HG       LYS 107 -14.298  11.542 -13.079
  657   1HD   LYS 107          2HD       LYS 107 -12.521  10.788 -14.507
  658   2HD   LYS 107          1HD       LYS 107 -12.479   9.844 -13.017
  659   1HE   LYS 107          2HE       LYS 107 -12.149   8.488 -15.075
  660   2HE   LYS 107          1HE       LYS 107 -13.524   7.976 -14.098
  661   1HZ   LYS 107          1HZ       LYS 107 -13.679   9.676 -16.530
  662   2HZ   LYS 107          3HZ       LYS 107 -14.069   8.031 -16.454
  663   3HZ   LYS 107          2HZ       LYS 107 -14.994   9.161 -15.599
  664    H    ASP 108           H        ASP 108 -17.868  11.964 -13.356
  665    HA   ASP 108           HA       ASP 108 -18.798  10.382 -15.659
  666   1HB   ASP 108          2HB       ASP 108 -20.005  12.876 -14.441
  667   2HB   ASP 108          1HB       ASP 108 -20.642  12.012 -15.837

  No H/Q in entry =         667
  Start of MODEL    2
    1    H1   GLY  24          2H        GLY  24 -11.779 -22.396  -6.352
    2    H2   GLY  24          1H        GLY  24 -13.022 -21.440  -5.720
    3    H3   GLY  24          3H        GLY  24 -12.127 -20.894  -7.047
    4   1HA   GLY  24          2HA       GLY  24 -11.445 -19.765  -5.019
    5   2HA   GLY  24          1HA       GLY  24 -10.143 -20.719  -5.714
    6    H    SER  25           H        SER  25  -9.039 -20.968  -3.786
    7    HA   SER  25           HA       SER  25 -10.329 -22.787  -1.865
    8   1HB   SER  25          2HB       SER  25  -8.041 -23.522  -1.283
    9   2HB   SER  25          1HB       SER  25  -8.392 -23.767  -2.993
   10    HG   SER  25           HG       SER  25  -7.177 -21.377  -2.163
   11    H    HIS  26           H        HIS  26  -8.532 -19.816  -2.229
   12    HA   HIS  26           HA       HIS  26  -8.320 -19.411   0.638
   13   1HB   HIS  26          2HB       HIS  26  -6.498 -18.726  -0.919
   14   2HB   HIS  26          1HB       HIS  26  -7.589 -17.537  -1.621
   15    HD1  HIS  26           HD1      HIS  26  -5.410 -18.164   1.313
   16    HD2  HIS  26           HD2      HIS  26  -8.141 -15.306   0.037
   17    HE1  HIS  26           HE1      HIS  26  -5.072 -16.189   2.831
   18    HE2  HIS  26           HE2      HIS  26  -6.797 -14.506   2.097
   19    H    MET  27           H        MET  27  -9.583 -18.104   1.853
   20    HA   MET  27           HA       MET  27 -12.130 -17.341   0.873
   21   1HB   MET  27          2HB       MET  27 -11.765 -17.971   3.214
   22   2HB   MET  27          1HB       MET  27 -10.736 -16.563   3.442
   23   1HG   MET  27          2HG       MET  27 -12.631 -15.095   3.014
   24   2HG   MET  27          1HG       MET  27 -13.666 -16.498   2.753
   25   1HE   MET  27          1HE       MET  27 -15.371 -15.512   4.473
   26   2HE   MET  27          3HE       MET  27 -15.002 -15.145   6.158
   27   3HE   MET  27          2HE       MET  27 -14.350 -14.131   4.872
   28    H    ASN  28           H        ASN  28 -12.648 -15.621  -0.275
   29    HA   ASN  28           HA       ASN  28 -10.890 -13.595  -1.017
   30   1HB   ASN  28          2HB       ASN  28 -12.894 -14.126  -2.304
   31   2HB   ASN  28          1HB       ASN  28 -13.916 -13.562  -0.986
   32   1HD2  ASN  28          1HD2      ASN  28 -14.911 -12.025  -2.259
   33   2HD2  ASN  28          2HD2      ASN  28 -14.111 -10.582  -2.770
   34    H    ASN  29           H        ASN  29 -10.113 -11.903   0.032
   35    HA   ASN  29           HA       ASN  29 -11.717 -10.699   2.184
   36   1HB   ASN  29          2HB       ASN  29  -9.624 -10.351   3.476
   37   2HB   ASN  29          1HB       ASN  29 -10.017 -12.054   3.259
   38   1HD2  ASN  29          1HD2      ASN  29  -7.872  -9.469   2.387
   39   2HD2  ASN  29          2HD2      ASN  29  -6.644 -10.455   1.672
   40    H    GLU  30           H        GLU  30 -11.582  -8.481   2.394
   41    HA   GLU  30           HA       GLU  30  -9.947  -7.074   0.388
   42   1HB   GLU  30          2HB       GLU  30 -12.803  -6.499   1.183
   43   2HB   GLU  30          1HB       GLU  30 -11.818  -5.424   0.201
   44   1HG   GLU  30          2HG       GLU  30 -11.622  -7.138  -1.512
   45   2HG   GLU  30          1HG       GLU  30 -12.569  -8.248  -0.521
   46    H    ASP  31           H        ASP  31 -11.254  -7.181   3.602
   47    HA   ASP  31           HA       ASP  31 -10.686  -4.580   4.465
   48   1HB   ASP  31          2HB       ASP  31 -12.049  -6.130   5.777
   49   2HB   ASP  31          1HB       ASP  31 -10.648  -7.162   6.043
   50    H    PHE  32           H        PHE  32  -8.813  -3.551   4.555
   51    HA   PHE  32           HA       PHE  32  -6.319  -4.992   4.388
   52   1HB   PHE  32          2HB       PHE  32  -5.294  -2.765   4.214
   53   2HB   PHE  32          1HB       PHE  32  -6.632  -2.945   3.086
   54    HD1  PHE  32           HD1      PHE  32  -8.735  -1.755   3.450
   55    HD2  PHE  32           HD2      PHE  32  -5.394  -1.207   6.029
   56    HE1  PHE  32           HE1      PHE  32  -9.766   0.291   4.345
   57    HE2  PHE  32           HE2      PHE  32  -6.421   0.839   6.931
   58    HZ   PHE  32           HZ       PHE  32  -8.611   1.590   6.090
   59    H    SER  33           H        SER  33  -8.285  -3.850   6.890
   60    HA   SER  33           HA       SER  33  -6.291  -3.121   8.779
   61   1HB   SER  33          2HB       SER  33  -9.133  -4.061   9.234
   62   2HB   SER  33          1HB       SER  33  -8.103  -3.298  10.445
   63    HG   SER  33           HG       SER  33  -9.147  -1.601   9.659
   64    H    GLN  34           H        GLN  34  -7.283  -6.122   7.544
   65    HA   GLN  34           HA       GLN  34  -6.007  -7.511   9.808
   66   1HB   GLN  34          2HB       GLN  34  -8.186  -8.521   7.973
   67   2HB   GLN  34          1HB       GLN  34  -7.381  -9.486   9.203
   68   1HG   GLN  34          2HG       GLN  34  -8.203  -7.893  10.915
   69   2HG   GLN  34          1HG       GLN  34  -9.109  -7.064   9.650
   70   1HE2  GLN  34          1HE2      GLN  34 -11.075  -7.496  10.639
   71   2HE2  GLN  34          2HE2      GLN  34 -11.781  -9.073  10.639
   72    H    TRP  35           H        TRP  35  -5.213  -6.437   6.947
   73    HA   TRP  35           HA       TRP  35  -4.316  -8.759   5.556
   74   1HB   TRP  35          2HB       TRP  35  -3.884  -5.815   5.283
   75   2HB   TRP  35          1HB       TRP  35  -2.780  -6.903   4.452
   76    HD1  TRP  35           HD1      TRP  35  -5.978  -8.623   4.365
   77    HE1  TRP  35           HE1      TRP  35  -7.216  -8.196   2.150
   78    HE3  TRP  35           HE3      TRP  35  -3.255  -4.644   2.663
   79    HZ2  TRP  35           HZ2      TRP  35  -7.061  -6.412  -0.031
   80    HZ3  TRP  35           HZ3      TRP  35  -3.864  -3.636   0.503
   81    HH2  TRP  35           HH2      TRP  35  -5.728  -4.503  -0.815
   82    H    SER  36           H        SER  36  -2.197  -9.532   5.305
   83    HA   SER  36           HA       SER  36  -0.473  -9.010   7.620
   84   1HB   SER  36          2HB       SER  36   0.575 -11.160   7.127
   85   2HB   SER  36          1HB       SER  36  -1.173 -11.358   7.238
   86    HG   SER  36           HG       SER  36   0.432 -11.954   5.202
   87    H    VAL  37           H        VAL  37   1.952  -9.804   6.760
   88    HA   VAL  37           HA       VAL  37   2.945  -7.554   5.427
   89    HB   VAL  37           HB       VAL  37   4.249 -10.260   5.759
   90   1HG1  VAL  37          1HG1      VAL  37   5.447  -7.574   5.086
   91   2HG1  VAL  37          3HG1      VAL  37   6.367  -9.026   5.480
   92   3HG1  VAL  37          2HG1      VAL  37   5.364  -8.984   4.030
   93   1HG2  VAL  37          1HG2      VAL  37   3.582  -9.245   7.880
   94   2HG2  VAL  37          3HG2      VAL  37   5.337  -9.264   7.704
   95   3HG2  VAL  37          2HG2      VAL  37   4.442  -7.767   7.446
   96    H    ASP  38           H        ASP  38   2.570 -10.891   4.223
   97    HA   ASP  38           HA       ASP  38   3.477 -10.443   1.627
   98   1HB   ASP  38          2HB       ASP  38   3.212 -12.688   2.457
   99   2HB   ASP  38          1HB       ASP  38   1.481 -12.455   2.676
  100    H    ASP  39           H        ASP  39   0.224 -10.103   2.977
  101    HA   ASP  39           HA       ASP  39  -1.160  -9.730   0.572
  102   1HB   ASP  39          2HB       ASP  39  -1.715  -8.796   3.381
  103   2HB   ASP  39          1HB       ASP  39  -2.822  -8.475   2.049
  104    H    VAL  40           H        VAL  40   0.196  -7.279   2.782
  105    HA   VAL  40           HA       VAL  40  -0.585  -5.030   1.311
  106    HB   VAL  40           HB       VAL  40   1.851  -5.321   3.076
  107   1HG1  VAL  40          1HG1      VAL  40   0.361  -2.868   2.147
  108   2HG1  VAL  40          3HG1      VAL  40   1.645  -2.880   3.357
  109   3HG1  VAL  40          2HG1      VAL  40   1.999  -3.339   1.691
  110   1HG2  VAL  40          2HG2      VAL  40  -0.203  -5.937   4.234
  111   2HG2  VAL  40          1HG2      VAL  40   0.424  -4.405   4.842
  112   3HG2  VAL  40          3HG2      VAL  40  -0.950  -4.420   3.738
  113    H    ILE  41           H        ILE  41   2.380  -6.963   1.140
  114    HA   ILE  41           HA       ILE  41   3.766  -5.317  -0.676
  115    HB   ILE  41           HB       ILE  41   4.025  -8.304  -0.318
  116   1HG1  ILE  41          2HG1      ILE  41   5.630  -6.097   0.983
  117   2HG1  ILE  41          1HG1      ILE  41   4.284  -6.915   1.768
  118   1HG2  ILE  41          3HG2      ILE  41   5.935  -6.275  -1.474
  119   2HG2  ILE  41          2HG2      ILE  41   6.298  -7.976  -1.186
  120   3HG2  ILE  41          1HG2      ILE  41   5.070  -7.525  -2.368
  121   1HD1  ILE  41          2HD1      ILE  41   5.489  -9.043   1.568
  122   2HD1  ILE  41          1HD1      ILE  41   6.846  -8.186   0.838
  123   3HD1  ILE  41          3HD1      ILE  41   6.383  -7.846   2.505
  124    H    THR  42           H        THR  42   1.808  -8.242  -1.253
  125    HA   THR  42           HA       THR  42   2.135  -8.379  -4.011
  126    HB   THR  42           HB       THR  42  -0.357  -9.152  -2.484
  127    HG1  THR  42           HG1      THR  42   1.587 -11.033  -3.168
  128   1HG2  THR  42          3HG2      THR  42  -0.657  -9.127  -4.914
  129   2HG2  THR  42          2HG2      THR  42   0.768 -10.147  -5.106
  130   3HG2  THR  42          1HG2      THR  42  -0.665 -10.778  -4.294
  131    H    TRP  43           H        TRP  43  -0.615  -6.923  -2.243
  132    HA   TRP  43           HA       TRP  43  -1.940  -5.887  -4.455
  133   1HB   TRP  43          2HB       TRP  43  -3.021  -5.949  -2.294
  134   2HB   TRP  43          1HB       TRP  43  -1.831  -4.836  -1.622
  135    HD1  TRP  43           HD1      TRP  43  -4.671  -4.857  -4.251
  136    HE1  TRP  43           HE1      TRP  43  -5.629  -2.473  -4.409
  137    HE3  TRP  43           HE3      TRP  43  -1.437  -2.467  -1.091
  138    HZ2  TRP  43           HZ2      TRP  43  -5.084   0.079  -3.341
  139    HZ3  TRP  43           HZ3      TRP  43  -1.727  -0.054  -0.713
  140    HH2  TRP  43           HH2      TRP  43  -3.514   1.192  -1.815
  141    H    CYS  44           H        CYS  44   0.625  -4.451  -2.492
  142    HA   CYS  44           HA       CYS  44   0.638  -1.887  -3.558
  143   1HB   CYS  44          2HB       CYS  44   1.980  -2.422  -1.626
  144   2HB   CYS  44          1HB       CYS  44   2.928  -3.583  -2.550
  145    HG   CYS  44           HG       CYS  44   3.484  -0.397  -2.075
  146    H    ILE  45           H        ILE  45   3.010  -4.382  -4.429
  147    HA   ILE  45           HA       ILE  45   3.991  -3.203  -6.730
  148    HB   ILE  45           HB       ILE  45   3.709  -6.157  -6.157
  149   1HG1  ILE  45          2HG1      ILE  45   6.112  -4.396  -5.675
  150   2HG1  ILE  45          1HG1      ILE  45   4.904  -4.713  -4.434
  151   1HG2  ILE  45          3HG2      ILE  45   5.514  -4.688  -8.067
  152   2HG2  ILE  45          2HG2      ILE  45   5.642  -6.401  -7.668
  153   3HG2  ILE  45          1HG2      ILE  45   4.203  -5.790  -8.486
  154   1HD1  ILE  45          3HD1      ILE  45   6.562  -6.801  -5.830
  155   2HD1  ILE  45          2HD1      ILE  45   6.853  -6.162  -4.211
  156   3HD1  ILE  45          1HD1      ILE  45   5.388  -7.088  -4.544
  157    H    SER  46           H        SER  46   1.039  -4.993  -6.270
  158    HA   SER  46           HA       SER  46   0.524  -5.775  -8.908
  159   1HB   SER  46          2HB       SER  46  -0.739  -6.648  -7.001
  160   2HB   SER  46          1HB       SER  46  -1.451  -5.058  -6.732
  161    HG   SER  46           HG       SER  46  -2.210  -6.993  -8.443
  162    H    THR  47           H        THR  47   0.647  -2.639  -7.618
  163    HA   THR  47           HA       THR  47  -0.230  -1.507 -10.104
  164    HB   THR  47           HB       THR  47  -2.414  -1.862  -9.048
  165    HG1  THR  47           HG1      THR  47  -2.551   0.769  -8.751
  166   1HG2  THR  47          3HG2      THR  47  -1.347  -0.090  -6.846
  167   2HG2  THR  47          2HG2      THR  47  -3.020  -0.629  -7.006
  168   3HG2  THR  47          1HG2      THR  47  -1.738  -1.804  -6.705
  169    H    LEU  48           H        LEU  48   2.030  -1.467  -8.009
  170    HA   LEU  48           HA       LEU  48   2.047   1.324  -7.215
  171   1HB   LEU  48          2HB       LEU  48   3.060  -0.835  -6.023
  172   2HB   LEU  48          1HB       LEU  48   4.465  -0.392  -6.967
  173    HG   LEU  48           HG       LEU  48   4.582   0.495  -4.692
  174   1HD1  LEU  48          1HD1      LEU  48   5.668   1.717  -6.511
  175   2HD1  LEU  48          3HD1      LEU  48   4.201   2.668  -6.744
  176   3HD1  LEU  48          2HD1      LEU  48   5.108   2.799  -5.237
  177   1HD2  LEU  48          2HD2      LEU  48   2.176   0.727  -4.296
  178   2HD2  LEU  48          1HD2      LEU  48   3.049   2.214  -3.929
  179   3HD2  LEU  48          3HD2      LEU  48   2.126   2.080  -5.426
  180    H    GLU  49           H        GLU  49   4.576  -0.618  -8.821
  181    HA   GLU  49           HA       GLU  49   4.785   1.417 -10.897
  182   1HB   GLU  49          2HB       GLU  49   6.937   0.766  -8.914
  183   2HB   GLU  49          1HB       GLU  49   7.356   1.316 -10.531
  184   1HG   GLU  49          2HG       GLU  49   5.626   2.807  -8.568
  185   2HG   GLU  49          1HG       GLU  49   7.322   3.145  -8.912
  186    H    VAL  50           H        VAL  50   6.588  -1.418  -9.708
  187    HA   VAL  50           HA       VAL  50   6.618  -2.446 -12.470
  188    HB   VAL  50           HB       VAL  50   8.640  -3.693 -11.851
  189   1HG1  VAL  50          2HG1      VAL  50   8.829  -1.441 -12.816
  190   2HG1  VAL  50          1HG1      VAL  50   8.851  -0.757 -11.190
  191   3HG1  VAL  50          3HG1      VAL  50  10.165  -1.806 -11.723
  192   1HG2  VAL  50          3HG2      VAL  50   8.379  -2.274  -9.202
  193   2HG2  VAL  50          2HG2      VAL  50   8.207  -4.007  -9.482
  194   3HG2  VAL  50          1HG2      VAL  50   9.770  -3.225  -9.718
  195    H    GLU  51           H        GLU  51   7.503  -5.013 -11.903
  196    HA   GLU  51           HA       GLU  51   5.075  -6.210 -10.783
  197   1HB   GLU  51          2HB       GLU  51   5.923  -8.287 -11.918
  198   2HB   GLU  51          1HB       GLU  51   5.557  -6.956 -13.008
  199   1HG   GLU  51          2HG       GLU  51   7.897  -6.416 -13.207
  200   2HG   GLU  51          1HG       GLU  51   8.314  -7.647 -12.015
  201    H    GLU  52           H        GLU  52   5.712  -8.597  -9.891
  202    HA   GLU  52           HA       GLU  52   7.204  -8.046  -7.507
  203   1HB   GLU  52          2HB       GLU  52   5.997 -10.623  -8.527
  204   2HB   GLU  52          1HB       GLU  52   6.699 -10.409  -6.930
  205   1HG   GLU  52          2HG       GLU  52   5.018  -8.721  -6.411
  206   2HG   GLU  52          1HG       GLU  52   4.315  -8.928  -8.015
  207    H    THR  53           H        THR  53   9.191  -7.504  -8.691
  208    HA   THR  53           HA       THR  53  10.927  -9.848  -8.840
  209    HB   THR  53           HB       THR  53  12.034  -9.057 -10.872
  210    HG1  THR  53           HG1      THR  53  10.904  -7.353 -12.074
  211   1HG2  THR  53          3HG2      THR  53   9.046  -9.353 -11.204
  212   2HG2  THR  53          2HG2      THR  53  10.236  -9.531 -12.493
  213   3HG2  THR  53          1HG2      THR  53  10.226 -10.663 -11.141
  214    H    ASP  54           H        ASP  54  10.622  -6.343  -8.870
  215    HA   ASP  54           HA       ASP  54  13.257  -5.680  -8.190
  216   1HB   ASP  54          2HB       ASP  54  11.667  -4.048  -9.069
  217   2HB   ASP  54          1HB       ASP  54  10.663  -4.219  -7.634
  218    HA   PRO  55           HA       PRO  55  13.699  -6.914  -3.954
  219   1HB   PRO  55          2HB       PRO  55  15.051  -4.303  -3.533
  220   2HB   PRO  55          1HB       PRO  55  15.632  -5.940  -3.207
  221   1HG   PRO  55          2HG       PRO  55  16.560  -4.567  -5.285
  222   2HG   PRO  55          1HG       PRO  55  16.236  -6.306  -5.420
  223   1HD   PRO  55          2HD       PRO  55  14.619  -3.993  -6.412
  224   2HD   PRO  55          1HD       PRO  55  14.944  -5.556  -7.189
  225    H    LEU  56           H        LEU  56  11.811  -4.336  -4.914
  226    HA   LEU  56           HA       LEU  56  11.224  -2.837  -2.698
  227   1HB   LEU  56          2HB       LEU  56  10.224  -2.561  -4.956
  228   2HB   LEU  56          1HB       LEU  56   9.205  -3.952  -4.646
  229    HG   LEU  56           HG       LEU  56   8.336  -2.617  -2.619
  230   1HD1  LEU  56          2HD1      LEU  56   9.582  -0.398  -4.233
  231   2HD1  LEU  56          1HD1      LEU  56   8.438  -0.179  -2.909
  232   3HD1  LEU  56          3HD1      LEU  56  10.024  -0.885  -2.595
  233   1HD2  LEU  56          3HD2      LEU  56   7.717  -1.732  -5.433
  234   2HD2  LEU  56          2HD2      LEU  56   7.003  -3.107  -4.591
  235   3HD2  LEU  56          1HD2      LEU  56   6.692  -1.468  -4.022
  236    H    CYS  57           H        CYS  57  10.078  -6.086  -3.465
  237    HA   CYS  57           HA       CYS  57   8.235  -6.355  -1.365
  238   1HB   CYS  57          2HB       CYS  57   8.159  -7.914  -3.177
  239   2HB   CYS  57          1HB       CYS  57   9.833  -8.394  -2.917
  240    HG   CYS  57           HG       CYS  57   9.420  -9.915  -0.730
  241    H    GLN  58           H        GLN  58  11.664  -7.264  -1.588
  242    HA   GLN  58           HA       GLN  58  11.898  -8.430   0.946
  243   1HB   GLN  58          2HB       GLN  58  13.982  -6.981  -0.697
  244   2HB   GLN  58          1HB       GLN  58  14.329  -7.992   0.700
  245   1HG   GLN  58          2HG       GLN  58  13.387  -9.923  -0.465
  246   2HG   GLN  58          1HG       GLN  58  13.049  -8.909  -1.866
  247   1HE2  GLN  58          1HE2      GLN  58  14.354 -10.150  -3.204
  248   2HE2  GLN  58          2HE2      GLN  58  16.078 -10.106  -3.109
  249    H    ARG  59           H        ARG  59  11.980  -5.087  -0.077
  250    HA   ARG  59           HA       ARG  59  13.056  -4.016   2.322
  251   1HB   ARG  59          2HB       ARG  59  12.970  -2.862   0.080
  252   2HB   ARG  59          1HB       ARG  59  11.252  -2.610   0.351
  253   1HG   ARG  59          2HG       ARG  59  12.176  -0.605   1.016
  254   2HG   ARG  59          1HG       ARG  59  11.997  -1.470   2.543
  255   1HD   ARG  59          2HD       ARG  59  14.542  -1.476   0.938
  256   2HD   ARG  59          1HD       ARG  59  14.199  -0.279   2.185
  257    HE   ARG  59           HE       ARG  59  14.079  -3.102   2.926
  258   1HH1  ARG  59          1HH1      ARG  59  15.762  -0.052   3.029
  259   2HH1  ARG  59          2HH1      ARG  59  16.787  -0.517   4.345
  260   1HH2  ARG  59          1HH2      ARG  59  15.427  -3.722   4.657
  261   2HH2  ARG  59          2HH2      ARG  59  16.599  -2.603   5.268
  262    H    LEU  60           H        LEU  60   9.728  -4.154   1.065
  263    HA   LEU  60           HA       LEU  60   8.444  -3.059   3.285
  264   1HB   LEU  60          2HB       LEU  60   7.596  -4.868   1.064
  265   2HB   LEU  60          1HB       LEU  60   6.499  -4.598   2.402
  266    HG   LEU  60           HG       LEU  60   6.461  -2.210   1.940
  267   1HD1  LEU  60          2HD1      LEU  60   8.777  -2.013   1.108
  268   2HD1  LEU  60          1HD1      LEU  60   8.281  -2.810  -0.384
  269   3HD1  LEU  60          3HD1      LEU  60   7.599  -1.244   0.045
  270   1HD2  LEU  60          2HD2      LEU  60   6.000  -3.905  -0.509
  271   2HD2  LEU  60          1HD2      LEU  60   4.847  -3.600   0.791
  272   3HD2  LEU  60          3HD2      LEU  60   5.361  -2.280  -0.260
  273    H    ARG  61           H        ARG  61   9.087  -6.465   2.495
  274    HA   ARG  61           HA       ARG  61   7.826  -7.609   4.707
  275   1HB   ARG  61          2HB       ARG  61   8.625  -8.863   2.722
  276   2HB   ARG  61          1HB       ARG  61  10.279  -8.638   3.275
  277   1HG   ARG  61          2HG       ARG  61   9.777  -9.902   5.304
  278   2HG   ARG  61          1HG       ARG  61   8.118 -10.131   4.746
  279   1HD   ARG  61          2HD       ARG  61   9.446 -12.107   4.278
  280   2HD   ARG  61          1HD       ARG  61   8.958 -11.326   2.776
  281    HE   ARG  61           HE       ARG  61  11.286 -10.313   2.848
  282   1HH1  ARG  61          1HH1      ARG  61  10.516 -13.422   4.223
  283   2HH1  ARG  61          2HH1      ARG  61  12.110 -14.061   3.995
  284   1HH2  ARG  61          1HH2      ARG  61  13.386 -11.146   2.545
  285   2HH2  ARG  61          2HH2      ARG  61  13.742 -12.766   3.042
  286    H    GLU  62           H        GLU  62  11.057  -6.252   4.368
  287    HA   GLU  62           HA       GLU  62  12.216  -7.209   6.709
  288   1HB   GLU  62          2HB       GLU  62  13.464  -5.986   4.980
  289   2HB   GLU  62          1HB       GLU  62  12.616  -4.507   5.410
  290   1HG   GLU  62          2HG       GLU  62  14.828  -4.514   6.370
  291   2HG   GLU  62          1HG       GLU  62  13.613  -4.594   7.644
  292    H    ASN  63           H        ASN  63  10.101  -4.437   6.189
  293    HA   ASN  63           HA       ASN  63  10.033  -3.993   9.094
  294   1HB   ASN  63          2HB       ASN  63   9.102  -2.159   6.872
  295   2HB   ASN  63          1HB       ASN  63   9.123  -1.777   8.591
  296   1HD2  ASN  63          1HD2      ASN  63  10.443  -0.411   6.414
  297   2HD2  ASN  63          2HD2      ASN  63  12.133  -0.438   6.771
  298    H    ASP  64           H        ASP  64   8.590  -5.626   9.626
  299    HA   ASP  64           HA       ASP  64   6.200  -6.244   8.359
  300   1HB   ASP  64          2HB       ASP  64   6.848  -6.394  11.310
  301   2HB   ASP  64          1HB       ASP  64   5.492  -7.203  10.532
  302    H    ILE  65           H        ILE  65   4.730  -4.770   7.795
  303    HA   ILE  65           HA       ILE  65   3.654  -3.023   9.905
  304    HB   ILE  65           HB       ILE  65   4.192  -2.233   7.041
  305   1HG1  ILE  65          2HG1      ILE  65   6.171  -2.190   8.518
  306   2HG1  ILE  65          1HG1      ILE  65   5.704  -0.576   7.995
  307   1HG2  ILE  65          3HG2      ILE  65   2.793  -0.716   9.236
  308   2HG2  ILE  65          2HG2      ILE  65   3.299  -0.023   7.695
  309   3HG2  ILE  65          1HG2      ILE  65   2.083  -1.300   7.731
  310   1HD1  ILE  65          2HD1      ILE  65   5.057  -1.791  10.671
  311   2HD1  ILE  65          1HD1      ILE  65   6.362  -0.649  10.348
  312   3HD1  ILE  65          3HD1      ILE  65   4.682  -0.150  10.147
  313    H    VAL  66           H        VAL  66   1.481  -2.947  10.041
  314    HA   VAL  66           HA       VAL  66  -0.039  -4.684   8.263
  315    HB   VAL  66           HB       VAL  66  -0.322  -4.862  10.720
  316   1HG1  VAL  66          1HG1      VAL  66  -1.548  -2.120  10.476
  317   2HG1  VAL  66          3HG1      VAL  66  -1.593  -3.139  11.914
  318   3HG1  VAL  66          2HG1      VAL  66  -0.052  -2.527  11.317
  319   1HG2  VAL  66          1HG2      VAL  66  -2.097  -5.595   9.200
  320   2HG2  VAL  66          3HG2      VAL  66  -2.748  -4.989  10.723
  321   3HG2  VAL  66          2HG2      VAL  66  -2.818  -3.987   9.273
  322    H    GLY  67           H        GLY  67  -2.187  -3.939   7.491
  323   1HA   GLY  67          1HA       GLY  67  -3.421  -2.521   6.174
  324   2HA   GLY  67          2HA       GLY  67  -1.942  -1.605   5.935
  325    H    ASP  68           H        ASP  68  -2.963  -2.014   9.184
  326    HA   ASP  68           HA       ASP  68  -4.637   0.314   9.303
  327   1HB   ASP  68          2HB       ASP  68  -4.925  -1.602  10.840
  328   2HB   ASP  68          1HB       ASP  68  -3.350  -1.255  11.548
  329    H    LEU  69           H        LEU  69  -1.346  -0.086   9.040
  330    HA   LEU  69           HA       LEU  69  -0.779   2.413  10.489
  331   1HB   LEU  69          2HB       LEU  69   1.136   0.249   9.617
  332   2HB   LEU  69          1HB       LEU  69   1.568   1.702  10.500
  333    HG   LEU  69           HG       LEU  69  -0.265  -0.452  11.558
  334   1HD1  LEU  69          2HD1      LEU  69   2.040  -1.255  11.237
  335   2HD1  LEU  69          1HD1      LEU  69   2.625   0.087  12.222
  336   3HD1  LEU  69          3HD1      LEU  69   1.593  -1.149  12.941
  337   1HD2  LEU  69          1HD2      LEU  69   1.025   1.924  12.895
  338   2HD2  LEU  69          3HD2      LEU  69  -0.688   1.745  12.519
  339   3HD2  LEU  69          2HD2      LEU  69   0.070   0.681  13.703
  340    H    LEU  70           H        LEU  70  -1.205   1.147   7.410
  341    HA   LEU  70           HA       LEU  70   0.742   2.380   5.870
  342   1HB   LEU  70          2HB       LEU  70  -2.141   1.770   5.247
  343   2HB   LEU  70          1HB       LEU  70  -1.028   2.404   4.051
  344    HG   LEU  70           HG       LEU  70  -0.699  -0.216   5.515
  345   1HD1  LEU  70          2HD1      LEU  70  -1.550   0.373   2.684
  346   2HD1  LEU  70          1HD1      LEU  70  -1.201  -1.228   3.336
  347   3HD1  LEU  70          3HD1      LEU  70  -2.561  -0.297   3.964
  348   1HD2  LEU  70          2HD2      LEU  70   0.887   1.027   3.272
  349   2HD2  LEU  70          1HD2      LEU  70   1.441   0.758   4.925
  350   3HD2  LEU  70          3HD2      LEU  70   1.092  -0.617   3.878
  351    HA   PRO  71           HA       PRO  71  -1.861   6.373   5.619
  352   1HB   PRO  71          2HB       PRO  71  -4.116   6.673   7.016
  353   2HB   PRO  71          1HB       PRO  71  -4.097   5.761   5.501
  354   1HG   PRO  71          2HG       PRO  71  -4.071   4.753   8.320
  355   2HG   PRO  71          1HG       PRO  71  -4.993   4.157   6.928
  356   1HD   PRO  71          2HD       PRO  71  -2.649   3.033   7.834
  357   2HD   PRO  71          1HD       PRO  71  -3.248   2.891   6.170
  358    H    GLU  72           H        GLU  72  -1.122   4.823   8.550
  359    HA   GLU  72           HA       GLU  72  -1.202   7.235  10.166
  360   1HB   GLU  72          2HB       GLU  72  -0.217   4.458  10.842
  361   2HB   GLU  72          1HB       GLU  72  -0.410   5.781  11.983
  362   1HG   GLU  72          2HG       GLU  72  -2.632   4.502  10.405
  363   2HG   GLU  72          1HG       GLU  72  -2.247   4.167  12.093
  364    H    LEU  73           H        LEU  73   0.801   6.282   7.840
  365    HA   LEU  73           HA       LEU  73   3.169   7.376   9.206
  366   1HB   LEU  73          2HB       LEU  73   3.136   5.252   7.061
  367   2HB   LEU  73          1HB       LEU  73   4.573   5.955   7.778
  368    HG   LEU  73           HG       LEU  73   2.518   4.366   9.316
  369   1HD1  LEU  73          1HD1      LEU  73   3.644   2.970   7.658
  370   2HD1  LEU  73          3HD1      LEU  73   5.211   3.512   8.262
  371   3HD1  LEU  73          2HD1      LEU  73   4.149   2.556   9.297
  372   1HD2  LEU  73          3HD2      LEU  73   5.279   5.334  10.051
  373   2HD2  LEU  73          2HD2      LEU  73   3.754   5.952  10.687
  374   3HD2  LEU  73          1HD2      LEU  73   4.254   4.297  11.044
  375    H    CYS  74           H        CYS  74   4.374   8.877   8.114
  376    HA   CYS  74           HA       CYS  74   3.085  10.105   5.816
  377   1HB   CYS  74          2HB       CYS  74   5.461  10.993   7.468
  378   2HB   CYS  74          1HB       CYS  74   4.712  11.935   6.184
  379    HG   CYS  74           HG       CYS  74   3.163  13.171   7.802
  380    H    LEU  75           H        LEU  75   5.206  11.287   4.521
  381    HA   LEU  75           HA       LEU  75   6.039   9.249   2.766
  382   1HB   LEU  75          2HB       LEU  75   7.003  12.081   3.127
  383   2HB   LEU  75          1HB       LEU  75   7.567  11.030   1.843
  384    HG   LEU  75           HG       LEU  75   4.702  11.900   2.241
  385   1HD1  LEU  75          3HD1      LEU  75   6.778  12.790   0.245
  386   2HD1  LEU  75          2HD1      LEU  75   5.073  13.242   0.221
  387   3HD1  LEU  75          1HD1      LEU  75   6.103  13.756   1.557
  388   1HD2  LEU  75          3HD2      LEU  75   6.017  10.338   0.019
  389   2HD2  LEU  75          2HD2      LEU  75   4.866   9.707   1.197
  390   3HD2  LEU  75          1HD2      LEU  75   4.351  10.915   0.021
  391    H    GLN  76           H        GLN  76   7.207  10.076   5.801
  392    HA   GLN  76           HA       GLN  76   9.981   9.678   5.481
  393   1HB   GLN  76          2HB       GLN  76   9.028  10.718   7.481
  394   2HB   GLN  76          1HB       GLN  76   8.231   9.208   7.902
  395   1HG   GLN  76          2HG       GLN  76  10.405   8.136   8.186
  396   2HG   GLN  76          1HG       GLN  76  11.206   9.647   7.760
  397   1HE2  GLN  76          1HE2      GLN  76  11.327   8.040  10.197
  398   2HE2  GLN  76          2HE2      GLN  76  10.865   9.095  11.482
  399    H    ASP  77           H        ASP  77   7.648   7.444   6.994
  400    HA   ASP  77           HA       ASP  77   9.341   5.201   6.852
  401   1HB   ASP  77          2HB       ASP  77   6.327   5.342   7.080
  402   2HB   ASP  77          1HB       ASP  77   7.288   3.891   7.347
  403    H    CYS  78           H        CYS  78   6.983   6.528   4.630
  404    HA   CYS  78           HA       CYS  78   6.705   4.330   2.910
  405   1HB   CYS  78          2HB       CYS  78   6.512   7.296   2.361
  406   2HB   CYS  78          1HB       CYS  78   6.056   6.055   1.201
  407    HG   CYS  78           HG       CYS  78   4.368   5.095   3.642
  408    H    GLN  79           H        GLN  79   9.025   7.010   2.911
  409    HA   GLN  79           HA       GLN  79  10.342   6.282   0.523
  410   1HB   GLN  79          2HB       GLN  79  10.514   8.508   1.663
  411   2HB   GLN  79          1HB       GLN  79  11.529   7.750   2.883
  412   1HG   GLN  79          2HG       GLN  79  13.194   7.214   1.218
  413   2HG   GLN  79          1HG       GLN  79  12.160   7.858  -0.057
  414   1HE2  GLN  79          1HE2      GLN  79  13.669   9.374  -0.699
  415   2HE2  GLN  79          2HE2      GLN  79  14.043  10.772   0.245
  416    H    ASP  80           H        ASP  80  10.825   5.413   3.901
  417    HA   ASP  80           HA       ASP  80  13.245   4.000   3.593
  418   1HB   ASP  80          2HB       ASP  80  12.321   4.715   5.784
  419   2HB   ASP  80          1HB       ASP  80  11.031   3.525   5.608
  420    H    LEU  81           H        LEU  81   9.889   3.137   3.174
  421    HA   LEU  81           HA       LEU  81  10.298   0.330   2.912
  422   1HB   LEU  81          2HB       LEU  81   8.076   2.236   2.656
  423   2HB   LEU  81          1HB       LEU  81   7.944   0.833   1.617
  424    HG   LEU  81           HG       LEU  81   7.831  -0.655   3.439
  425   1HD1  LEU  81          3HD1      LEU  81   8.749   1.627   5.183
  426   2HD1  LEU  81          2HD1      LEU  81   8.208   0.059   5.779
  427   3HD1  LEU  81          1HD1      LEU  81   9.657   0.170   4.780
  428   1HD2  LEU  81          3HD2      LEU  81   5.796   0.680   3.080
  429   2HD2  LEU  81          2HD2      LEU  81   5.978   0.169   4.758
  430   3HD2  LEU  81          1HD2      LEU  81   6.356   1.829   4.296
  431    H    CYS  82           H        CYS  82  10.931   2.953   0.885
  432    HA   CYS  82           HA       CYS  82  10.755   1.330  -1.549
  433   1HB   CYS  82          2HB       CYS  82  11.299   4.287  -1.206
  434   2HB   CYS  82          1HB       CYS  82  11.155   3.451  -2.749
  435    HG   CYS  82           HG       CYS  82   8.434   2.592  -1.844
  436    H    ASP  83           H        ASP  83  12.609   1.621  -3.117
  437    HA   ASP  83           HA       ASP  83  14.995   0.713  -1.935
  438   1HB   ASP  83          2HB       ASP  83  15.955   0.851  -4.171
  439   2HB   ASP  83          1HB       ASP  83  14.326   0.187  -4.257
  440    H    GLY  84           H        GLY  84  13.747   3.846  -2.342
  441   1HA   GLY  84          1HA       GLY  84  16.419   5.053  -2.028
  442   2HA   GLY  84          2HA       GLY  84  15.130   5.440  -0.899
  443    H    ASP  85           H        ASP  85  13.588   5.014  -3.732
  444    HA   ASP  85           HA       ASP  85  14.161   7.595  -4.911
  445   1HB   ASP  85          2HB       ASP  85  12.705   5.141  -5.687
  446   2HB   ASP  85          1HB       ASP  85  12.064   6.647  -6.323
  447    H    LEU  86           H        LEU  86  13.216   9.370  -4.174
  448    HA   LEU  86           HA       LEU  86  11.116   9.466  -2.342
  449   1HB   LEU  86          2HB       LEU  86  12.647  11.323  -2.668
  450   2HB   LEU  86          1HB       LEU  86  12.060  11.559  -4.303
  451    HG   LEU  86           HG       LEU  86   9.807  12.109  -3.319
  452   1HD1  LEU  86          2HD1      LEU  86  11.395  12.132  -0.757
  453   2HD1  LEU  86          1HD1      LEU  86   9.768  12.784  -0.954
  454   3HD1  LEU  86          3HD1      LEU  86  10.057  11.056  -1.157
  455   1HD2  LEU  86          2HD2      LEU  86  11.336  13.835  -4.105
  456   2HD2  LEU  86          1HD2      LEU  86  10.450  14.378  -2.680
  457   3HD2  LEU  86          3HD2      LEU  86  12.131  13.862  -2.529
  458    H    ASN  87           H        ASN  87  11.085   9.927  -5.857
  459    HA   ASN  87           HA       ASN  87   8.411  10.543  -6.230
  460   1HB   ASN  87          2HB       ASN  87  10.297  10.496  -7.947
  461   2HB   ASN  87          1HB       ASN  87   9.989   8.773  -8.092
  462   1HD2  ASN  87          1HD2      ASN  87   9.379   8.954 -10.237
  463   2HD2  ASN  87          2HD2      ASN  87   7.872   9.650 -10.713
  464    H    LYS  88           H        LYS  88   9.969   7.377  -6.066
  465    HA   LYS  88           HA       LYS  88   7.796   5.752  -6.638
  466   1HB   LYS  88          2HB       LYS  88  10.027   4.859  -6.502
  467   2HB   LYS  88          1HB       LYS  88  10.155   5.306  -4.809
  468   1HG   LYS  88          2HG       LYS  88   9.794   2.966  -4.894
  469   2HG   LYS  88          1HG       LYS  88   8.290   3.699  -4.337
  470   1HD   LYS  88          2HD       LYS  88   7.545   2.168  -5.907
  471   2HD   LYS  88          1HD       LYS  88   7.634   3.657  -6.848
  472   1HE   LYS  88          2HE       LYS  88   9.776   1.533  -6.756
  473   2HE   LYS  88          1HE       LYS  88   8.573   1.698  -8.033
  474   1HZ   LYS  88          3HZ       LYS  88   9.460   3.932  -8.476
  475   2HZ   LYS  88          2HZ       LYS  88  10.665   3.681  -7.316
  476   3HZ   LYS  88          1HZ       LYS  88  10.620   2.722  -8.708
  477    H    ALA  89           H        ALA  89   8.871   7.042  -3.509
  478    HA   ALA  89           HA       ALA  89   6.918   5.773  -1.931
  479   1HB   ALA  89          1HB       ALA  89   7.539   7.293  -0.188
  480   2HB   ALA  89          2HB       ALA  89   8.255   8.409  -1.350
  481   3HB   ALA  89          3HB       ALA  89   8.996   6.834  -1.068
  482    H    ILE  90           H        ILE  90   6.846   8.707  -3.841
  483    HA   ILE  90           HA       ILE  90   4.558   9.889  -2.710
  484    HB   ILE  90           HB       ILE  90   5.576  10.074  -5.550
  485   1HG1  ILE  90          2HG1      ILE  90   5.963  11.940  -3.197
  486   2HG1  ILE  90          1HG1      ILE  90   7.171  10.802  -3.783
  487   1HG2  ILE  90          2HG2      ILE  90   3.592  11.805  -4.076
  488   2HG2  ILE  90          1HG2      ILE  90   4.270  12.159  -5.665
  489   3HG2  ILE  90          3HG2      ILE  90   3.248  10.740  -5.440
  490   1HD1  ILE  90          2HD1      ILE  90   7.205  11.984  -5.935
  491   2HD1  ILE  90          1HD1      ILE  90   6.042  13.146  -5.295
  492   3HD1  ILE  90          3HD1      ILE  90   7.651  13.024  -4.581
  493    H    LYS  91           H        LYS  91   4.832   7.950  -5.699
  494    HA   LYS  91           HA       LYS  91   2.124   7.707  -6.246
  495   1HB   LYS  91          2HB       LYS  91   4.347   5.721  -6.756
  496   2HB   LYS  91          1HB       LYS  91   2.748   5.633  -7.481
  497   1HG   LYS  91          2HG       LYS  91   4.636   7.950  -7.829
  498   2HG   LYS  91          1HG       LYS  91   4.489   6.604  -8.959
  499   1HD   LYS  91          2HD       LYS  91   2.189   8.377  -8.151
  500   2HD   LYS  91          1HD       LYS  91   3.181   8.647  -9.585
  501   1HE   LYS  91          2HE       LYS  91   1.539   6.185  -8.999
  502   2HE   LYS  91          1HE       LYS  91   1.123   7.459 -10.144
  503   1HZ   LYS  91          1HZ       LYS  91   3.105   6.911 -11.415
  504   2HZ   LYS  91          3HZ       LYS  91   3.499   5.686 -10.317
  505   3HZ   LYS  91          2HZ       LYS  91   2.101   5.559 -11.261
  506    H    PHE  92           H        PHE  92   4.137   5.968  -3.986
  507    HA   PHE  92           HA       PHE  92   2.402   3.837  -3.389
  508   1HB   PHE  92          2HB       PHE  92   4.754   3.820  -2.749
  509   2HB   PHE  92          1HB       PHE  92   4.504   5.201  -1.691
  510    HD1  PHE  92           HD1      PHE  92   4.275   4.807   0.547
  511    HD2  PHE  92           HD2      PHE  92   3.189   1.741  -2.198
  512    HE1  PHE  92           HE1      PHE  92   3.830   3.284   2.428
  513    HE2  PHE  92           HE2      PHE  92   2.741   0.214  -0.323
  514    HZ   PHE  92           HZ       PHE  92   3.063   0.984   1.994
  515    H    LYS  93           H        LYS  93   3.023   6.770  -1.455
  516    HA   LYS  93           HA       LYS  93   0.892   6.416   0.321
  517   1HB   LYS  93          2HB       LYS  93   2.832   7.965   0.645
  518   2HB   LYS  93          1HB       LYS  93   2.099   9.052  -0.527
  519   1HG   LYS  93          2HG       LYS  93   0.099   9.193   0.940
  520   2HG   LYS  93          1HG       LYS  93   0.970   8.237   2.140
  521   1HD   LYS  93          2HD       LYS  93   1.248  10.497   2.778
  522   2HD   LYS  93          1HD       LYS  93   2.776  10.007   2.045
  523   1HE   LYS  93          2HE       LYS  93   2.054  12.237   1.302
  524   2HE   LYS  93          1HE       LYS  93   2.168  11.090  -0.033
  525   1HZ   LYS  93          3HZ       LYS  93  -0.234  10.789   0.084
  526   2HZ   LYS  93          2HZ       LYS  93  -0.331  11.913   1.344
  527   3HZ   LYS  93          1HZ       LYS  93   0.162  12.410  -0.195
  528    H    ILE  94           H        ILE  94   0.957   7.594  -2.926
  529    HA   ILE  94           HA       ILE  94  -1.405   9.145  -2.886
  530    HB   ILE  94           HB       ILE  94   0.121   7.781  -5.078
  531   1HG1  ILE  94          2HG1      ILE  94  -0.594  10.682  -4.600
  532   2HG1  ILE  94          1HG1      ILE  94   0.914   9.930  -4.091
  533   1HG2  ILE  94          3HG2      ILE  94  -2.510   9.221  -5.386
  534   2HG2  ILE  94          2HG2      ILE  94  -1.444   8.768  -6.715
  535   3HG2  ILE  94          1HG2      ILE  94  -2.195   7.518  -5.721
  536   1HD1  ILE  94          2HD1      ILE  94   1.463   9.466  -6.428
  537   2HD1  ILE  94          1HD1      ILE  94  -0.042  10.240  -6.928
  538   3HD1  ILE  94          3HD1      ILE  94   1.217  11.189  -6.137
  539    H    LEU  95           H        LEU  95  -0.977   5.936  -4.391
  540    HA   LEU  95           HA       LEU  95  -3.617   5.321  -4.798
  541   1HB   LEU  95          2HB       LEU  95  -1.450   3.391  -3.956
  542   2HB   LEU  95          1HB       LEU  95  -2.958   2.957  -4.737
  543    HG   LEU  95           HG       LEU  95  -0.759   4.616  -5.974
  544   1HD1  LEU  95          3HD1      LEU  95  -0.195   2.233  -5.675
  545   2HD1  LEU  95          2HD1      LEU  95  -1.642   1.799  -6.587
  546   3HD1  LEU  95          1HD1      LEU  95  -0.340   2.696  -7.371
  547   1HD2  LEU  95          2HD2      LEU  95  -2.964   5.259  -6.797
  548   2HD2  LEU  95          1HD2      LEU  95  -2.051   4.403  -8.039
  549   3HD2  LEU  95          3HD2      LEU  95  -3.331   3.571  -7.155
  550    H    ILE  96           H        ILE  96  -1.745   5.042  -1.837
  551    HA   ILE  96           HA       ILE  96  -3.792   3.656  -0.411
  552    HB   ILE  96           HB       ILE  96  -1.443   5.188   0.703
  553   1HG1  ILE  96          2HG1      ILE  96  -1.659   2.226   0.136
  554   2HG1  ILE  96          1HG1      ILE  96  -0.884   3.371  -0.954
  555   1HG2  ILE  96          3HG2      ILE  96  -3.186   3.049   1.922
  556   2HG2  ILE  96          2HG2      ILE  96  -1.732   3.721   2.661
  557   3HG2  ILE  96          1HG2      ILE  96  -3.136   4.751   2.382
  558   1HD1  ILE  96          3HD1      ILE  96   0.727   3.931   0.798
  559   2HD1  ILE  96          2HD1      ILE  96  -0.043   2.759   1.868
  560   3HD1  ILE  96          1HD1      ILE  96   0.754   2.215   0.392
  561    H    ASN  97           H        ASN  97  -2.888   7.025  -0.806
  562    HA   ASN  97           HA       ASN  97  -4.449   8.090   1.286
  563   1HB   ASN  97          2HB       ASN  97  -2.698   9.403   0.214
  564   2HB   ASN  97          1HB       ASN  97  -3.568   9.359  -1.317
  565   1HD2  ASN  97          1HD2      ASN  97  -3.455  10.703   1.884
  566   2HD2  ASN  97          2HD2      ASN  97  -4.595  11.972   1.610
  567    H    LYS  98           H        LYS  98  -5.136   7.779  -2.196
  568    HA   LYS  98           HA       LYS  98  -7.780   8.767  -2.017
  569   1HB   LYS  98          2HB       LYS  98  -6.297   7.178  -4.094
  570   2HB   LYS  98          1HB       LYS  98  -8.009   7.532  -4.278
  571   1HG   LYS  98          2HG       LYS  98  -6.748   9.157  -5.498
  572   2HG   LYS  98          1HG       LYS  98  -7.486   9.945  -4.103
  573   1HD   LYS  98          2HD       LYS  98  -5.361   9.785  -2.893
  574   2HD   LYS  98          1HD       LYS  98  -4.626   8.998  -4.292
  575   1HE   LYS  98          2HE       LYS  98  -4.069  11.380  -4.201
  576   2HE   LYS  98          1HE       LYS  98  -5.015  10.986  -5.637
  577   1HZ   LYS  98          1HZ       LYS  98  -6.989  11.822  -4.517
  578   2HZ   LYS  98          3HZ       LYS  98  -6.078  12.204  -3.144
  579   3HZ   LYS  98          2HZ       LYS  98  -5.797  13.019  -4.598
  580    H    MET  99           H        MET  99  -6.387   5.584  -1.604
  581    HA   MET  99           HA       MET  99  -8.715   4.044  -1.885
  582   1HB   MET  99          2HB       MET  99  -6.273   3.270  -1.658
  583   2HB   MET  99          1HB       MET  99  -6.521   3.402   0.077
  584   1HG   MET  99          2HG       MET  99  -8.253   1.724  -1.716
  585   2HG   MET  99          1HG       MET  99  -6.814   1.112  -0.904
  586   1HE   MET  99          1HE       MET  99  -9.701  -0.197  -0.606
  587   2HE   MET  99          3HE       MET  99  -8.276  -0.815   0.231
  588   3HE   MET  99          2HE       MET  99  -9.761  -0.502   1.130
  589    H    ARG 100           H        ARG 100  -7.208   5.309   1.088
  590    HA   ARG 100           HA       ARG 100  -9.461   4.575   2.704
  591   1HB   ARG 100          2HB       ARG 100  -7.309   4.536   3.739
  592   2HB   ARG 100          1HB       ARG 100  -6.975   6.192   3.254
  593   1HG   ARG 100          2HG       ARG 100  -7.475   6.103   5.610
  594   2HG   ARG 100          1HG       ARG 100  -8.752   6.974   4.761
  595   1HD   ARG 100          2HD       ARG 100 -10.163   4.996   4.811
  596   2HD   ARG 100          1HD       ARG 100  -8.877   4.077   5.592
  597    HE   ARG 100           HE       ARG 100  -9.551   6.395   7.094
  598   1HH1  ARG 100          1HH1      ARG 100 -10.619   3.163   6.345
  599   2HH1  ARG 100          2HH1      ARG 100 -11.493   2.971   7.828
  600   1HH2  ARG 100          1HH2      ARG 100 -10.697   6.149   9.049
  601   2HH2  ARG 100          2HH2      ARG 100 -11.538   4.668   9.365
  602    H    ASP 101           H        ASP 101  -7.977   7.777   2.174
  603    HA   ASP 101           HA       ASP 101 -10.076   9.294   3.153
  604   1HB   ASP 101          2HB       ASP 101  -8.119  10.028   0.968
  605   2HB   ASP 101          1HB       ASP 101  -9.115  11.169   1.865
  606    H    SER 102           H        SER 102  -9.450   8.399  -0.244
  607    HA   SER 102           HA       SER 102 -10.785   8.386  -2.085
  608   1HB   SER 102          2HB       SER 102 -12.965   7.991  -0.022
  609   2HB   SER 102          1HB       SER 102 -13.140   7.712  -1.754
  610    HG   SER 102           HG       SER 102 -11.489   6.121  -1.566
  611    H    LYS 103           H        LYS 103 -10.262  10.595  -2.489
  612    HA   LYS 103           HA       LYS 103 -12.275  12.576  -1.725
  613   1HB   LYS 103          2HB       LYS 103  -9.745  12.961  -1.531
  614   2HB   LYS 103          1HB       LYS 103  -9.754  13.107  -3.283
  615   1HG   LYS 103          2HG       LYS 103 -11.308  14.973  -3.134
  616   2HG   LYS 103          1HG       LYS 103 -11.340  14.815  -1.377
  617   1HD   LYS 103          2HD       LYS 103  -8.895  15.244  -1.345
  618   2HD   LYS 103          1HD       LYS 103  -8.957  15.523  -3.087
  619   1HE   LYS 103          2HE       LYS 103 -10.570  17.350  -2.704
  620   2HE   LYS 103          1HE       LYS 103 -10.414  17.096  -0.967
  621   1HZ   LYS 103          2HZ       LYS 103  -8.185  17.845  -2.779
  622   2HZ   LYS 103          1HZ       LYS 103  -9.023  18.920  -1.779
  623   3HZ   LYS 103          3HZ       LYS 103  -8.095  17.680  -1.099
  624    H    LEU 104           H        LEU 104 -13.791  13.265  -3.086
  625    HA   LEU 104           HA       LEU 104 -13.388  12.914  -5.971
  626   1HB   LEU 104          2HB       LEU 104 -15.080  11.310  -4.461
  627   2HB   LEU 104          1HB       LEU 104 -16.153  12.504  -5.165
  628    HG   LEU 104           HG       LEU 104 -15.213  11.917  -7.416
  629   1HD1  LEU 104          3HD1      LEU 104 -13.935   9.673  -5.861
  630   2HD1  LEU 104          2HD1      LEU 104 -14.033   9.771  -7.620
  631   3HD1  LEU 104          1HD1      LEU 104 -13.099  10.967  -6.721
  632   1HD2  LEU 104          2HD2      LEU 104 -16.524   9.695  -5.853
  633   2HD2  LEU 104          1HD2      LEU 104 -17.347  11.028  -6.666
  634   3HD2  LEU 104          3HD2      LEU 104 -16.471   9.824  -7.611
  635    H    GLU 105           H        GLU 105 -15.375  14.370  -3.416
  636    HA   GLU 105           HA       GLU 105 -16.418  16.409  -5.147
  637   1HB   GLU 105          2HB       GLU 105 -16.520  15.951  -2.172
  638   2HB   GLU 105          1HB       GLU 105 -17.156  17.420  -2.898
  639   1HG   GLU 105          2HG       GLU 105 -18.915  15.796  -2.513
  640   2HG   GLU 105          1HG       GLU 105 -18.704  16.104  -4.236
  641    H    TRP 106           H        TRP 106 -14.341  17.139  -5.966
  642    HA   TRP 106           HA       TRP 106 -13.066  19.071  -4.147
  643   1HB   TRP 106          2HB       TRP 106 -10.982  18.694  -5.578
  644   2HB   TRP 106          1HB       TRP 106 -11.427  17.399  -4.470
  645    HD1  TRP 106           HD1      TRP 106 -13.048  17.899  -7.940
  646    HE1  TRP 106           HE1      TRP 106 -12.537  15.822  -9.371
  647    HE3  TRP 106           HE3      TRP 106  -9.880  15.470  -4.747
  648    HZ2  TRP 106           HZ2      TRP 106 -10.994  13.471  -9.175
  649    HZ3  TRP 106           HZ3      TRP 106  -8.928  13.311  -5.445
  650    HH2  TRP 106           HH2      TRP 106  -9.474  12.333  -7.615
  651    H    LYS 107           H        LYS 107 -15.202  19.038  -6.412
  652    HA   LYS 107           HA       LYS 107 -14.144  21.419  -7.780
  653   1HB   LYS 107          2HB       LYS 107 -14.089  19.547  -9.349
  654   2HB   LYS 107          1HB       LYS 107 -15.781  19.200  -9.023
  655   1HG   LYS 107          2HG       LYS 107 -15.615  20.344 -11.115
  656   2HG   LYS 107          1HG       LYS 107 -16.369  21.423  -9.941
  657   1HD   LYS 107          2HD       LYS 107 -14.234  22.560  -9.605
  658   2HD   LYS 107          1HD       LYS 107 -13.462  21.467 -10.756
  659   1HE   LYS 107          2HE       LYS 107 -15.676  23.429 -11.348
  660   2HE   LYS 107          1HE       LYS 107 -13.985  23.586 -11.820
  661   1HZ   LYS 107          2HZ       LYS 107 -15.831  21.443 -12.727
  662   2HZ   LYS 107          1HZ       LYS 107 -15.358  22.783 -13.644
  663   3HZ   LYS 107          3HZ       LYS 107 -14.216  21.618 -13.195
  664    H    ASP 108           H        ASP 108 -15.260  22.979  -6.739
  665    HA   ASP 108           HA       ASP 108 -18.157  22.644  -6.412
  666   1HB   ASP 108          2HB       ASP 108 -16.277  24.652  -5.152
  667   2HB   ASP 108          1HB       ASP 108 -18.006  24.546  -4.841

  No H/Q in entry =         667
  Start of MODEL    3
    1    H1   GLY  24          1H        GLY  24 -19.730 -12.696 -10.470
    2    H2   GLY  24          3H        GLY  24 -19.936 -11.158  -9.796
    3    H3   GLY  24          2H        GLY  24 -18.664 -11.446 -10.872
    4   1HA   GLY  24          2HA       GLY  24 -18.967 -12.630  -8.168
    5   2HA   GLY  24          1HA       GLY  24 -17.837 -11.360  -8.613
    6    H    SER  25           H        SER  25 -16.767 -12.207 -10.937
    7    HA   SER  25           HA       SER  25 -15.797 -14.935 -10.491
    8   1HB   SER  25          2HB       SER  25 -15.474 -13.093 -12.872
    9   2HB   SER  25          1HB       SER  25 -14.861 -14.743 -12.778
   10    HG   SER  25           HG       SER  25 -17.338 -13.880 -13.390
   11    H    HIS  26           H        HIS  26 -14.604 -11.633 -10.995
   12    HA   HIS  26           HA       HIS  26 -12.069 -12.454  -9.741
   13   1HB   HIS  26          2HB       HIS  26 -10.935 -10.743 -11.148
   14   2HB   HIS  26          1HB       HIS  26 -11.641 -12.054 -12.087
   15    HD1  HIS  26           HD1      HIS  26 -11.725  -8.401 -11.638
   16    HD2  HIS  26           HD2      HIS  26 -14.009 -11.308 -13.536
   17    HE1  HIS  26           HE1      HIS  26 -13.221  -7.150 -13.226
   18    HE2  HIS  26           HE2      HIS  26 -14.563  -8.932 -14.396
   19    H    MET  27           H        MET  27 -11.676 -11.461  -7.893
   20    HA   MET  27           HA       MET  27 -12.039  -8.675  -7.489
   21   1HB   MET  27          2HB       MET  27 -13.739  -8.806  -5.697
   22   2HB   MET  27          1HB       MET  27 -14.382  -9.267  -7.268
   23   1HG   MET  27          2HG       MET  27 -14.178 -11.623  -6.663
   24   2HG   MET  27          1HG       MET  27 -13.528 -11.164  -5.090
   25   1HE   MET  27          1HE       MET  27 -15.364 -12.674  -3.907
   26   2HE   MET  27          3HE       MET  27 -17.096 -12.525  -4.204
   27   3HE   MET  27          2HE       MET  27 -16.032 -13.123  -5.477
   28    H    ASN  28           H        ASN  28 -11.848  -8.231  -4.963
   29    HA   ASN  28           HA       ASN  28 -10.156 -10.219  -3.664
   30   1HB   ASN  28          2HB       ASN  28  -8.377  -8.574  -3.210
   31   2HB   ASN  28          1HB       ASN  28  -8.570  -8.864  -4.937
   32   1HD2  ASN  28          1HD2      ASN  28  -9.494  -7.261  -6.230
   33   2HD2  ASN  28          2HD2      ASN  28  -9.586  -5.616  -5.709
   34    H    ASN  29           H        ASN  29  -9.376  -9.145  -1.451
   35    HA   ASN  29           HA       ASN  29 -11.732  -8.703   0.047
   36   1HB   ASN  29          2HB       ASN  29  -8.820  -8.365   0.783
   37   2HB   ASN  29          1HB       ASN  29 -10.146  -8.247   1.936
   38   1HD2  ASN  29          1HD2      ASN  29  -9.379  -9.984   3.125
   39   2HD2  ASN  29          2HD2      ASN  29  -9.514 -11.613   2.566
   40    H    GLU  30           H        GLU  30 -11.583  -6.777   1.769
   41    HA   GLU  30           HA       GLU  30 -11.038  -4.282   0.318
   42   1HB   GLU  30          2HB       GLU  30 -13.565  -4.935   1.840
   43   2HB   GLU  30          1HB       GLU  30 -13.158  -3.344   1.214
   44   1HG   GLU  30          2HG       GLU  30 -13.150  -4.256  -1.062
   45   2HG   GLU  30          1HG       GLU  30 -13.601  -5.834  -0.418
   46    H    ASP  31           H        ASP  31 -12.272  -5.337   3.497
   47    HA   ASP  31           HA       ASP  31 -11.205  -3.224   4.966
   48   1HB   ASP  31          2HB       ASP  31 -11.440  -4.773   6.936
   49   2HB   ASP  31          1HB       ASP  31 -12.892  -4.608   5.953
   50    H    PHE  32           H        PHE  32  -9.143  -2.651   5.062
   51    HA   PHE  32           HA       PHE  32  -7.038  -4.628   4.807
   52   1HB   PHE  32          2HB       PHE  32  -5.532  -2.615   4.873
   53   2HB   PHE  32          1HB       PHE  32  -6.703  -2.616   3.560
   54    HD1  PHE  32           HD1      PHE  32  -8.517  -1.031   3.507
   55    HD2  PHE  32           HD2      PHE  32  -5.724  -1.054   6.718
   56    HE1  PHE  32           HE1      PHE  32  -9.312   1.189   4.210
   57    HE2  PHE  32           HE2      PHE  32  -6.515   1.165   7.428
   58    HZ   PHE  32           HZ       PHE  32  -8.312   2.288   6.173
   59    H    SER  33           H        SER  33  -8.829  -3.381   7.305
   60    HA   SER  33           HA       SER  33  -6.913  -2.942   9.316
   61   1HB   SER  33          2HB       SER  33  -9.233  -2.215   9.560
   62   2HB   SER  33          1HB       SER  33  -9.777  -3.892   9.567
   63    HG   SER  33           HG       SER  33  -8.521  -4.174  11.486
   64    H    GLN  34           H        GLN  34  -7.865  -5.811   7.772
   65    HA   GLN  34           HA       GLN  34  -6.632  -7.405   9.924
   66   1HB   GLN  34          2HB       GLN  34  -9.111  -7.779   9.553
   67   2HB   GLN  34          1HB       GLN  34  -8.694  -8.428   7.972
   68   1HG   GLN  34          2HG       GLN  34  -7.369 -10.175   9.021
   69   2HG   GLN  34          1HG       GLN  34  -7.736  -9.511  10.612
   70   1HE2  GLN  34          1HE2      GLN  34  -8.967 -11.254   7.875
   71   2HE2  GLN  34          2HE2      GLN  34 -10.417 -11.817   8.625
   72    H    TRP  35           H        TRP  35  -6.085  -6.180   6.963
   73    HA   TRP  35           HA       TRP  35  -5.161  -8.328   5.416
   74   1HB   TRP  35          2HB       TRP  35  -4.739  -5.391   5.446
   75   2HB   TRP  35          1HB       TRP  35  -3.534  -6.347   4.591
   76    HD1  TRP  35           HD1      TRP  35  -7.222  -7.382   4.535
   77    HE1  TRP  35           HE1      TRP  35  -8.112  -7.104   2.137
   78    HE3  TRP  35           HE3      TRP  35  -3.192  -5.041   2.438
   79    HZ2  TRP  35           HZ2      TRP  35  -7.223  -6.034  -0.322
   80    HZ3  TRP  35           HZ3      TRP  35  -3.289  -4.422   0.060
   81    HH2  TRP  35           HH2      TRP  35  -5.265  -4.909  -1.292
   82    H    SER  36           H        SER  36  -2.856  -8.738   4.846
   83    HA   SER  36           HA       SER  36  -1.131  -8.588   7.230
   84   1HB   SER  36          2HB       SER  36  -1.990 -10.885   6.815
   85   2HB   SER  36          1HB       SER  36  -1.235 -10.853   5.223
   86    HG   SER  36           HG       SER  36  -0.058 -11.009   7.757
   87    H    VAL  37           H        VAL  37   1.238  -9.304   6.407
   88    HA   VAL  37           HA       VAL  37   2.181  -7.130   4.900
   89    HB   VAL  37           HB       VAL  37   3.571  -9.736   5.539
   90   1HG1  VAL  37          2HG1      VAL  37   4.686  -7.116   4.547
   91   2HG1  VAL  37          1HG1      VAL  37   5.653  -8.464   5.146
   92   3HG1  VAL  37          3HG1      VAL  37   4.679  -8.655   3.688
   93   1HG2  VAL  37          1HG2      VAL  37   3.635  -7.055   6.919
   94   2HG2  VAL  37          3HG2      VAL  37   2.871  -8.523   7.528
   95   3HG2  VAL  37          2HG2      VAL  37   4.624  -8.451   7.345
   96    H    ASP  38           H        ASP  38   1.969 -10.580   4.011
   97    HA   ASP  38           HA       ASP  38   2.900 -10.316   1.394
   98   1HB   ASP  38          2HB       ASP  38   0.930 -12.325   2.503
   99   2HB   ASP  38          1HB       ASP  38   1.785 -12.483   0.972
  100    H    ASP  39           H        ASP  39  -0.286  -9.766   2.740
  101    HA   ASP  39           HA       ASP  39  -1.674  -9.693   0.255
  102   1HB   ASP  39          2HB       ASP  39  -2.377  -8.564   2.970
  103   2HB   ASP  39          1HB       ASP  39  -3.473  -8.570   1.591
  104    H    VAL  40           H        VAL  40  -0.335  -7.174   2.367
  105    HA   VAL  40           HA       VAL  40  -1.198  -4.985   0.803
  106    HB   VAL  40           HB       VAL  40   1.099  -5.175   2.755
  107   1HG1  VAL  40          2HG1      VAL  40  -0.207  -2.750   1.526
  108   2HG1  VAL  40          1HG1      VAL  40   0.943  -2.714   2.862
  109   3HG1  VAL  40          3HG1      VAL  40   1.452  -3.295   1.276
  110   1HG2  VAL  40          3HG2      VAL  40  -1.130  -5.651   3.698
  111   2HG2  VAL  40          2HG2      VAL  40  -0.424  -4.171   4.345
  112   3HG2  VAL  40          1HG2      VAL  40  -1.689  -4.082   3.119
  113    H    ILE  41           H        ILE  41   1.928  -6.668   0.977
  114    HA   ILE  41           HA       ILE  41   3.311  -5.089  -0.858
  115    HB   ILE  41           HB       ILE  41   3.680  -8.026  -0.273
  116   1HG1  ILE  41          2HG1      ILE  41   5.078  -5.596   0.863
  117   2HG1  ILE  41          1HG1      ILE  41   3.840  -6.528   1.697
  118   1HG2  ILE  41          2HG2      ILE  41   5.544  -6.048  -1.579
  119   2HG2  ILE  41          1HG2      ILE  41   5.967  -7.694  -1.110
  120   3HG2  ILE  41          3HG2      ILE  41   4.757  -7.417  -2.362
  121   1HD1  ILE  41          3HD1      ILE  41   5.300  -8.494   1.625
  122   2HD1  ILE  41          2HD1      ILE  41   6.544  -7.524   0.838
  123   3HD1  ILE  41          1HD1      ILE  41   6.036  -7.141   2.482
  124    H    THR  42           H        THR  42   1.682  -8.216  -1.453
  125    HA   THR  42           HA       THR  42   2.152  -8.389  -4.173
  126    HB   THR  42           HB       THR  42  -0.338  -9.306  -2.721
  127    HG1  THR  42           HG1      THR  42   0.797 -11.116  -2.268
  128   1HG2  THR  42          1HG2      THR  42   0.846 -10.149  -5.370
  129   2HG2  THR  42          3HG2      THR  42  -0.495 -10.958  -4.557
  130   3HG2  THR  42          2HG2      THR  42  -0.678  -9.297  -5.126
  131    H    TRP  43           H        TRP  43  -0.916  -7.230  -2.735
  132    HA   TRP  43           HA       TRP  43  -2.077  -6.298  -5.062
  133   1HB   TRP  43          2HB       TRP  43  -3.395  -6.450  -3.070
  134   2HB   TRP  43          1HB       TRP  43  -2.359  -5.304  -2.225
  135    HD1  TRP  43           HD1      TRP  43  -5.022  -5.419  -5.006
  136    HE1  TRP  43           HE1      TRP  43  -6.055  -3.073  -5.234
  137    HE3  TRP  43           HE3      TRP  43  -1.981  -2.875  -1.777
  138    HZ2  TRP  43           HZ2      TRP  43  -5.632  -0.486  -4.187
  139    HZ3  TRP  43           HZ3      TRP  43  -2.362  -0.467  -1.447
  140    HH2  TRP  43           HH2      TRP  43  -4.152   0.702  -2.627
  141    H    CYS  44           H        CYS  44   0.107  -4.580  -2.864
  142    HA   CYS  44           HA       CYS  44  -0.053  -2.053  -4.049
  143   1HB   CYS  44          2HB       CYS  44   1.006  -2.437  -1.871
  144   2HB   CYS  44          1HB       CYS  44   2.304  -3.333  -2.651
  145    HG   CYS  44           HG       CYS  44   1.721   0.019  -2.709
  146    H    ILE  45           H        ILE  45   2.636  -4.352  -4.416
  147    HA   ILE  45           HA       ILE  45   3.953  -3.156  -6.511
  148    HB   ILE  45           HB       ILE  45   3.661  -6.111  -5.960
  149   1HG1  ILE  45          2HG1      ILE  45   5.830  -4.160  -5.160
  150   2HG1  ILE  45          1HG1      ILE  45   4.569  -4.761  -4.090
  151   1HG2  ILE  45          3HG2      ILE  45   5.686  -4.657  -7.652
  152   2HG2  ILE  45          2HG2      ILE  45   5.762  -6.363  -7.214
  153   3HG2  ILE  45          1HG2      ILE  45   4.444  -5.770  -8.223
  154   1HD1  ILE  45          1HD1      ILE  45   5.429  -7.035  -4.373
  155   2HD1  ILE  45          3HD1      ILE  45   6.707  -6.412  -5.417
  156   3HD1  ILE  45          2HD1      ILE  45   6.647  -5.939  -3.718
  157    H    SER  46           H        SER  46   1.116  -5.226  -6.630
  158    HA   SER  46           HA       SER  46   1.109  -5.831  -9.359
  159   1HB   SER  46          2HB       SER  46  -1.200  -5.532  -7.433
  160   2HB   SER  46          1HB       SER  46  -1.338  -6.220  -9.051
  161    HG   SER  46           HG       SER  46   0.588  -7.244  -7.293
  162    H    THR  47           H        THR  47   0.680  -2.815  -7.879
  163    HA   THR  47           HA       THR  47  -0.025  -1.624 -10.415
  164    HB   THR  47           HB       THR  47  -2.246  -2.133  -9.563
  165    HG1  THR  47           HG1      THR  47  -1.686   0.007 -10.564
  166   1HG2  THR  47          2HG2      THR  47  -1.421  -0.538  -7.137
  167   2HG2  THR  47          1HG2      THR  47  -3.060  -1.095  -7.475
  168   3HG2  THR  47          3HG2      THR  47  -1.772  -2.265  -7.186
  169    H    LEU  48           H        LEU  48   2.034  -1.559  -8.067
  170    HA   LEU  48           HA       LEU  48   1.870   1.261  -7.341
  171   1HB   LEU  48          2HB       LEU  48   2.544  -0.644  -5.763
  172   2HB   LEU  48          1HB       LEU  48   4.072  -0.664  -6.616
  173    HG   LEU  48           HG       LEU  48   4.207   0.577  -4.508
  174   1HD1  LEU  48          1HD1      LEU  48   5.655   1.201  -6.398
  175   2HD1  LEU  48          3HD1      LEU  48   4.468   2.414  -6.878
  176   3HD1  LEU  48          2HD1      LEU  48   5.298   2.556  -5.328
  177   1HD2  LEU  48          1HD2      LEU  48   2.028   2.223  -5.746
  178   2HD2  LEU  48          3HD2      LEU  48   2.065   1.446  -4.161
  179   3HD2  LEU  48          2HD2      LEU  48   3.077   2.854  -4.480
  180    H    GLU  49           H        GLU  49   4.652  -0.715  -8.387
  181    HA   GLU  49           HA       GLU  49   5.219   1.222 -10.496
  182   1HB   GLU  49          2HB       GLU  49   6.414   2.052  -8.509
  183   2HB   GLU  49          1HB       GLU  49   7.235   0.504  -8.362
  184   1HG   GLU  49          2HG       GLU  49   8.304   0.859 -10.524
  185   2HG   GLU  49          1HG       GLU  49   7.472   2.404 -10.685
  186    H    VAL  50           H        VAL  50   7.064  -1.340  -8.902
  187    HA   VAL  50           HA       VAL  50   7.662  -2.545 -11.488
  188    HB   VAL  50           HB       VAL  50   9.266  -3.938 -10.207
  189   1HG1  VAL  50          1HG1      VAL  50   9.990  -1.808 -11.146
  190   2HG1  VAL  50          3HG1      VAL  50   9.485  -0.976  -9.675
  191   3HG1  VAL  50          2HG1      VAL  50  10.814  -2.135  -9.622
  192   1HG2  VAL  50          2HG2      VAL  50   8.297  -2.334  -7.842
  193   2HG2  VAL  50          1HG2      VAL  50   8.063  -4.061  -8.099
  194   3HG2  VAL  50          3HG2      VAL  50   9.685  -3.420  -7.843
  195    H    GLU  51           H        GLU  51   8.014  -5.113 -11.053
  196    HA   GLU  51           HA       GLU  51   5.353  -6.121 -10.299
  197   1HB   GLU  51          2HB       GLU  51   5.985  -8.105 -11.705
  198   2HB   GLU  51          1HB       GLU  51   5.851  -6.597 -12.600
  199   1HG   GLU  51          2HG       GLU  51   8.298  -6.361 -12.524
  200   2HG   GLU  51          1HG       GLU  51   8.402  -7.908 -11.688
  201    H    GLU  52           H        GLU  52   5.840  -8.775  -9.847
  202    HA   GLU  52           HA       GLU  52   7.206  -8.654  -7.313
  203   1HB   GLU  52          2HB       GLU  52   5.967 -11.003  -8.762
  204   2HB   GLU  52          1HB       GLU  52   6.556 -11.033  -7.106
  205   1HG   GLU  52          2HG       GLU  52   4.879  -9.451  -6.428
  206   2HG   GLU  52          1HG       GLU  52   4.346  -9.246  -8.096
  207    H    THR  53           H        THR  53   9.246  -8.016  -8.399
  208    HA   THR  53           HA       THR  53  10.924 -10.373  -8.784
  209    HB   THR  53           HB       THR  53  12.075  -9.398 -10.716
  210    HG1  THR  53           HG1      THR  53  10.834  -7.584 -11.752
  211   1HG2  THR  53          3HG2      THR  53   9.089  -9.618 -11.120
  212   2HG2  THR  53          2HG2      THR  53  10.303  -9.699 -12.398
  213   3HG2  THR  53          1HG2      THR  53  10.246 -10.949 -11.155
  214    H    ASP  54           H        ASP  54  10.825  -6.846  -8.663
  215    HA   ASP  54           HA       ASP  54  13.457  -6.379  -7.851
  216   1HB   ASP  54          2HB       ASP  54  11.149  -4.884  -8.422
  217   2HB   ASP  54          1HB       ASP  54  11.613  -4.422  -6.797
  218    HA   PRO  55           HA       PRO  55  13.593  -7.447  -3.562
  219   1HB   PRO  55          2HB       PRO  55  15.090  -5.392  -2.537
  220   2HB   PRO  55          1HB       PRO  55  15.770  -6.754  -3.435
  221   1HG   PRO  55          2HG       PRO  55  15.109  -3.996  -4.387
  222   2HG   PRO  55          1HG       PRO  55  16.527  -4.996  -4.750
  223   1HD   PRO  55          2HD       PRO  55  14.495  -4.735  -6.489
  224   2HD   PRO  55          1HD       PRO  55  15.391  -6.258  -6.322
  225    H    LEU  56           H        LEU  56  12.018  -4.720  -4.711
  226    HA   LEU  56           HA       LEU  56  11.321  -3.210  -2.518
  227   1HB   LEU  56          2HB       LEU  56  10.659  -2.685  -4.821
  228   2HB   LEU  56          1HB       LEU  56   9.555  -4.046  -4.822
  229    HG   LEU  56           HG       LEU  56   8.439  -2.823  -2.810
  230   1HD1  LEU  56          3HD1      LEU  56   9.950  -0.577  -4.133
  231   2HD1  LEU  56          2HD1      LEU  56   8.611  -0.365  -3.005
  232   3HD1  LEU  56          1HD1      LEU  56  10.110  -1.125  -2.464
  233   1HD2  LEU  56          1HD2      LEU  56   7.388  -3.201  -4.982
  234   2HD2  LEU  56          3HD2      LEU  56   6.999  -1.599  -4.356
  235   3HD2  LEU  56          2HD2      LEU  56   8.204  -1.778  -5.630
  236    H    CYS  57           H        CYS  57  10.052  -6.315  -3.565
  237    HA   CYS  57           HA       CYS  57   7.911  -6.480  -1.732
  238   1HB   CYS  57          2HB       CYS  57   7.986  -7.921  -3.678
  239   2HB   CYS  57          1HB       CYS  57   9.492  -8.647  -3.127
  240    HG   CYS  57           HG       CYS  57   7.777 -10.636  -2.611
  241    H    GLN  58           H        GLN  58  11.299  -7.447  -1.551
  242    HA   GLN  58           HA       GLN  58  11.056  -8.787   0.956
  243   1HB   GLN  58          2HB       GLN  58  12.869  -9.231  -0.692
  244   2HB   GLN  58          1HB       GLN  58  13.539  -7.645  -0.335
  245   1HG   GLN  58          2HG       GLN  58  13.885  -8.323   1.992
  246   2HG   GLN  58          1HG       GLN  58  13.232  -9.916   1.616
  247   1HE2  GLN  58          1HE2      GLN  58  15.134 -10.951   2.189
  248   2HE2  GLN  58          2HE2      GLN  58  16.557 -10.879   1.213
  249    H    ARG  59           H        ARG  59  11.664  -5.493  -0.025
  250    HA   ARG  59           HA       ARG  59  12.714  -4.537   2.418
  251   1HB   ARG  59          2HB       ARG  59  11.196  -3.083   0.243
  252   2HB   ARG  59          1HB       ARG  59  12.045  -2.295   1.566
  253   1HG   ARG  59          2HG       ARG  59  13.315  -4.036  -0.538
  254   2HG   ARG  59          1HG       ARG  59  13.345  -2.272  -0.500
  255   1HD   ARG  59          2HD       ARG  59  14.510  -2.373   1.675
  256   2HD   ARG  59          1HD       ARG  59  14.537  -4.132   1.555
  257    HE   ARG  59           HE       ARG  59  15.726  -2.811  -0.701
  258   1HH1  ARG  59          1HH1      ARG  59  16.275  -4.013   2.524
  259   2HH1  ARG  59          2HH1      ARG  59  17.983  -4.191   2.306
  260   1HH2  ARG  59          1HH2      ARG  59  17.976  -3.043  -0.996
  261   2HH2  ARG  59          2HH2      ARG  59  18.950  -3.638   0.307
  262    H    LEU  60           H        LEU  60   9.422  -4.606   1.099
  263    HA   LEU  60           HA       LEU  60   8.243  -3.434   3.427
  264   1HB   LEU  60          2HB       LEU  60   6.960  -5.006   1.190
  265   2HB   LEU  60          1HB       LEU  60   6.107  -4.040   2.379
  266    HG   LEU  60           HG       LEU  60   8.063  -2.934   0.362
  267   1HD1  LEU  60          1HD1      LEU  60   5.048  -2.905   0.369
  268   2HD1  LEU  60          3HD1      LEU  60   6.082  -2.035  -0.764
  269   3HD1  LEU  60          2HD1      LEU  60   6.082  -3.799  -0.747
  270   1HD2  LEU  60          1HD2      LEU  60   7.905  -1.610   2.407
  271   2HD2  LEU  60          3HD2      LEU  60   7.170  -0.767   1.044
  272   3HD2  LEU  60          2HD2      LEU  60   6.150  -1.558   2.244
  273    H    ARG  61           H        ARG  61   9.052  -6.643   2.398
  274    HA   ARG  61           HA       ARG  61   7.338  -8.116   4.074
  275   1HB   ARG  61          2HB       ARG  61   8.547  -9.112   2.189
  276   2HB   ARG  61          1HB       ARG  61  10.074  -8.846   3.015
  277   1HG   ARG  61          2HG       ARG  61   8.016 -10.433   4.440
  278   2HG   ARG  61          1HG       ARG  61   8.814 -11.180   3.055
  279   1HD   ARG  61          2HD       ARG  61  10.995 -10.724   4.072
  280   2HD   ARG  61          1HD       ARG  61  10.195  -9.980   5.455
  281    HE   ARG  61           HE       ARG  61   9.123 -12.483   5.319
  282   1HH1  ARG  61          1HH1      ARG  61  12.359 -11.207   5.526
  283   2HH1  ARG  61          2HH1      ARG  61  12.981 -12.575   6.388
  284   1HH2  ARG  61          1HH2      ARG  61   9.932 -14.286   6.454
  285   2HH2  ARG  61          2HH2      ARG  61  11.602 -14.325   6.915
  286    H    GLU  62           H        GLU  62  10.648  -6.923   4.584
  287    HA   GLU  62           HA       GLU  62  11.124  -8.105   7.063
  288   1HB   GLU  62          2HB       GLU  62  12.865  -6.969   5.755
  289   2HB   GLU  62          1HB       GLU  62  12.090  -5.420   6.058
  290   1HG   GLU  62          2HG       GLU  62  12.518  -5.666   8.447
  291   2HG   GLU  62          1HG       GLU  62  13.283  -7.227   8.150
  292    H    ASN  63           H        ASN  63  10.154  -4.712   6.538
  293    HA   ASN  63           HA       ASN  63   9.277  -4.491   9.272
  294   1HB   ASN  63          2HB       ASN  63   9.119  -2.574   6.939
  295   2HB   ASN  63          1HB       ASN  63   8.566  -2.185   8.566
  296   1HD2  ASN  63          1HD2      ASN  63  10.647  -0.932   6.983
  297   2HD2  ASN  63          2HD2      ASN  63  12.102  -1.058   7.905
  298    H    ASP  64           H        ASP  64   7.608  -5.974   9.484
  299    HA   ASP  64           HA       ASP  64   5.442  -6.334   7.799
  300   1HB   ASP  64          2HB       ASP  64   5.370  -6.481  10.820
  301   2HB   ASP  64          1HB       ASP  64   4.279  -7.296   9.702
  302    H    ILE  65           H        ILE  65   4.461  -4.551   6.956
  303    HA   ILE  65           HA       ILE  65   3.461  -2.504   8.803
  304    HB   ILE  65           HB       ILE  65   3.579  -2.477   5.783
  305   1HG1  ILE  65          2HG1      ILE  65   5.798  -2.295   6.777
  306   2HG1  ILE  65          1HG1      ILE  65   5.316  -0.747   6.101
  307   1HG2  ILE  65          3HG2      ILE  65   2.722  -0.343   7.730
  308   2HG2  ILE  65          2HG2      ILE  65   2.981  -0.092   6.004
  309   3HG2  ILE  65          1HG2      ILE  65   1.703  -1.176   6.556
  310   1HD1  ILE  65          1HD1      ILE  65   4.723   0.033   8.347
  311   2HD1  ILE  65          3HD1      ILE  65   5.260  -1.510   9.009
  312   3HD1  ILE  65          2HD1      ILE  65   6.418  -0.438   8.223
  313    H    VAL  66           H        VAL  66   1.549  -3.099   9.641
  314    HA   VAL  66           HA       VAL  66  -0.368  -4.690   8.269
  315    HB   VAL  66           HB       VAL  66  -0.187  -4.573  10.746
  316   1HG1  VAL  66          2HG1      VAL  66   0.205  -2.185  10.979
  317   2HG1  VAL  66          1HG1      VAL  66  -1.427  -1.848  10.402
  318   3HG1  VAL  66          3HG1      VAL  66  -1.190  -2.684  11.937
  319   1HG2  VAL  66          3HG2      VAL  66  -2.226  -5.410   9.648
  320   2HG2  VAL  66          2HG2      VAL  66  -2.560  -4.654  11.207
  321   3HG2  VAL  66          1HG2      VAL  66  -2.906  -3.783   9.713
  322    H    GLY  67           H        GLY  67  -2.639  -3.931   7.872
  323   1HA   GLY  67          1HA       GLY  67  -4.113  -2.577   6.746
  324   2HA   GLY  67          2HA       GLY  67  -2.695  -1.866   5.988
  325    H    ASP  68           H        ASP  68  -3.472  -1.827   9.429
  326    HA   ASP  68           HA       ASP  68  -4.471   0.863   9.382
  327   1HB   ASP  68          2HB       ASP  68  -5.228  -0.817  11.043
  328   2HB   ASP  68          1HB       ASP  68  -3.612  -0.827  11.742
  329    H    LEU  69           H        LEU  69  -1.427  -0.343   9.050
  330    HA   LEU  69           HA       LEU  69  -0.163   1.903  10.466
  331   1HB   LEU  69          2HB       LEU  69   0.616  -0.350  11.078
  332   2HB   LEU  69          1HB       LEU  69   1.067  -0.645   9.411
  333    HG   LEU  69           HG       LEU  69   2.757   1.128   9.551
  334   1HD1  LEU  69          1HD1      LEU  69   1.907   1.321  12.436
  335   2HD1  LEU  69          3HD1      LEU  69   3.323   2.101  11.733
  336   3HD1  LEU  69          2HD1      LEU  69   1.706   2.563  11.201
  337   1HD2  LEU  69          1HD2      LEU  69   2.946  -0.939  11.738
  338   2HD2  LEU  69          3HD2      LEU  69   3.400  -1.161  10.049
  339   3HD2  LEU  69          2HD2      LEU  69   4.301  -0.033  11.062
  340    H    LEU  70           H        LEU  70  -0.967   0.737   7.365
  341    HA   LEU  70           HA       LEU  70   1.130   1.758   5.817
  342   1HB   LEU  70          2HB       LEU  70  -1.770   1.260   5.204
  343   2HB   LEU  70          1HB       LEU  70  -0.677   1.912   3.999
  344    HG   LEU  70           HG       LEU  70  -0.256  -0.728   5.402
  345   1HD1  LEU  70          2HD1      LEU  70  -2.299  -0.688   3.991
  346   2HD1  LEU  70          1HD1      LEU  70  -1.292  -0.228   2.617
  347   3HD1  LEU  70          3HD1      LEU  70  -1.053  -1.789   3.401
  348   1HD2  LEU  70          2HD2      LEU  70   1.782   0.356   4.551
  349   2HD2  LEU  70          1HD2      LEU  70   1.391  -1.117   3.664
  350   3HD2  LEU  70          3HD2      LEU  70   1.045   0.459   2.953
  351    HA   PRO  71           HA       PRO  71  -1.218   5.900   5.451
  352   1HB   PRO  71          2HB       PRO  71  -3.445   6.374   6.862
  353   2HB   PRO  71          1HB       PRO  71  -3.489   5.466   5.345
  354   1HG   PRO  71          2HG       PRO  71  -3.564   4.461   8.159
  355   2HG   PRO  71          1HG       PRO  71  -4.492   3.918   6.751
  356   1HD   PRO  71          2HD       PRO  71  -2.238   2.658   7.712
  357   2HD   PRO  71          1HD       PRO  71  -2.822   2.532   6.042
  358    H    GLU  72           H        GLU  72  -1.001   4.407   8.589
  359    HA   GLU  72           HA       GLU  72  -0.889   6.740  10.174
  360   1HB   GLU  72          2HB       GLU  72  -1.247   4.393  11.004
  361   2HB   GLU  72          1HB       GLU  72   0.466   4.100  10.740
  362   1HG   GLU  72          2HG       GLU  72   0.038   4.589  13.064
  363   2HG   GLU  72          1HG       GLU  72   1.013   5.867  12.339
  364    H    LEU  73           H        LEU  73   1.355   5.304   8.026
  365    HA   LEU  73           HA       LEU  73   3.643   6.673   9.207
  366   1HB   LEU  73          2HB       LEU  73   3.423   4.819   6.835
  367   2HB   LEU  73          1HB       LEU  73   4.923   5.536   7.396
  368    HG   LEU  73           HG       LEU  73   3.204   3.702   9.068
  369   1HD1  LEU  73          3HD1      LEU  73   4.089   2.527   7.112
  370   2HD1  LEU  73          2HD1      LEU  73   5.715   3.077   7.520
  371   3HD1  LEU  73          1HD1      LEU  73   4.858   1.980   8.601
  372   1HD2  LEU  73          1HD2      LEU  73   4.606   5.220  10.360
  373   2HD2  LEU  73          3HD2      LEU  73   5.195   3.562  10.482
  374   3HD2  LEU  73          2HD2      LEU  73   6.022   4.717   9.435
  375    H    CYS  74           H        CYS  74   4.954   8.129   7.994
  376    HA   CYS  74           HA       CYS  74   3.396   9.693   6.063
  377   1HB   CYS  74          2HB       CYS  74   5.036  11.504   6.555
  378   2HB   CYS  74          1HB       CYS  74   4.139  10.971   7.973
  379    HG   CYS  74           HG       CYS  74   6.243   9.423   8.989
  380    H    LEU  75           H        LEU  75   5.179  11.040   4.649
  381    HA   LEU  75           HA       LEU  75   6.143   9.131   2.785
  382   1HB   LEU  75          2HB       LEU  75   6.370  12.111   3.030
  383   2HB   LEU  75          1HB       LEU  75   7.274  11.250   1.800
  384    HG   LEU  75           HG       LEU  75   5.217  12.167   0.881
  385   1HD1  LEU  75          2HD1      LEU  75   6.064  10.091  -0.059
  386   2HD1  LEU  75          1HD1      LEU  75   5.126   9.163   1.112
  387   3HD1  LEU  75          3HD1      LEU  75   4.301  10.132  -0.109
  388   1HD2  LEU  75          1HD2      LEU  75   3.878  12.192   2.921
  389   2HD2  LEU  75          3HD2      LEU  75   3.032  11.363   1.614
  390   3HD2  LEU  75          2HD2      LEU  75   3.798  10.430   2.899
  391    H    GLN  76           H        GLN  76   7.451  10.245   5.661
  392    HA   GLN  76           HA       GLN  76  10.220  10.224   4.888
  393   1HB   GLN  76          2HB       GLN  76   9.333  11.579   6.785
  394   2HB   GLN  76          1HB       GLN  76   9.024  10.087   7.661
  395   1HG   GLN  76          2HG       GLN  76  11.762  10.780   6.659
  396   2HG   GLN  76          1HG       GLN  76  11.156  11.387   8.198
  397   1HE2  GLN  76          1HE2      GLN  76   9.612   8.967   8.731
  398   2HE2  GLN  76          2HE2      GLN  76  10.760   7.761   9.190
  399    H    ASP  77           H        ASP  77   8.095   8.036   6.715
  400    HA   ASP  77           HA       ASP  77  10.087   6.053   7.130
  401   1HB   ASP  77          2HB       ASP  77   7.069   5.880   7.247
  402   2HB   ASP  77          1HB       ASP  77   8.161   4.601   7.770
  403    H    CYS  78           H        CYS  78   8.087   6.848   4.456
  404    HA   CYS  78           HA       CYS  78   8.332   4.216   3.236
  405   1HB   CYS  78          2HB       CYS  78   7.067   6.768   2.211
  406   2HB   CYS  78          1HB       CYS  78   7.001   5.206   1.403
  407    HG   CYS  78           HG       CYS  78   4.526   5.801   2.641
  408    H    GLN  79           H        GLN  79   9.566   7.505   2.797
  409    HA   GLN  79           HA       GLN  79  10.929   7.044   0.378
  410   1HB   GLN  79          2HB       GLN  79  10.441   9.283   1.467
  411   2HB   GLN  79          1HB       GLN  79  11.814   8.975   2.524
  412   1HG   GLN  79          2HG       GLN  79  13.245   8.764   0.507
  413   2HG   GLN  79          1HG       GLN  79  11.859   9.234  -0.474
  414   1HE2  GLN  79          1HE2      GLN  79  10.871  11.168   1.463
  415   2HE2  GLN  79          2HE2      GLN  79  11.938  12.520   1.386
  416    H    ASP  80           H        ASP  80  11.812   6.530   3.737
  417    HA   ASP  80           HA       ASP  80  14.549   5.946   3.308
  418   1HB   ASP  80          2HB       ASP  80  13.647   6.487   5.534
  419   2HB   ASP  80          1HB       ASP  80  12.693   5.005   5.512
  420    H    LEU  81           H        LEU  81  11.612   4.140   3.009
  421    HA   LEU  81           HA       LEU  81  12.797   1.543   2.930
  422   1HB   LEU  81          2HB       LEU  81  10.101   2.613   2.115
  423   2HB   LEU  81          1HB       LEU  81  10.532   0.923   1.958
  424    HG   LEU  81           HG       LEU  81  10.606   2.411   4.577
  425   1HD1  LEU  81          2HD1      LEU  81   8.426   0.660   3.453
  426   2HD1  LEU  81          1HD1      LEU  81   8.497   1.291   5.098
  427   3HD1  LEU  81          3HD1      LEU  81   8.328   2.398   3.737
  428   1HD2  LEU  81          1HD2      LEU  81  12.023   0.428   4.447
  429   2HD2  LEU  81          3HD2      LEU  81  10.662   0.175   5.539
  430   3HD2  LEU  81          2HD2      LEU  81  10.639  -0.531   3.924
  431    H    CYS  82           H        CYS  82  12.654   4.114   0.766
  432    HA   CYS  82           HA       CYS  82  13.047   2.369  -1.565
  433   1HB   CYS  82          2HB       CYS  82  11.290   4.077  -1.793
  434   2HB   CYS  82          1HB       CYS  82  12.466   5.338  -1.444
  435    HG   CYS  82           HG       CYS  82  12.688   3.275  -4.163
  436    H    ASP  83           H        ASP  83  14.758   2.959  -3.090
  437    HA   ASP  83           HA       ASP  83  17.254   3.233  -1.841
  438   1HB   ASP  83          2HB       ASP  83  16.933   2.116  -4.017
  439   2HB   ASP  83          1HB       ASP  83  16.564   3.672  -4.755
  440    H    GLY  84           H        GLY  84  15.009   5.590  -2.978
  441   1HA   GLY  84          1HA       GLY  84  16.979   7.719  -3.111
  442   2HA   GLY  84          2HA       GLY  84  15.911   7.775  -1.716
  443    H    ASP  85           H        ASP  85  14.689   6.494  -4.690
  444    HA   ASP  85           HA       ASP  85  13.789   8.816  -5.928
  445   1HB   ASP  85          2HB       ASP  85  12.706   5.996  -5.951
  446   2HB   ASP  85          1HB       ASP  85  12.173   7.267  -7.034
  447    H    LEU  86           H        LEU  86  12.617  10.310  -4.888
  448    HA   LEU  86           HA       LEU  86  10.827   9.767  -2.767
  449   1HB   LEU  86          2HB       LEU  86  11.911  11.936  -3.040
  450   2HB   LEU  86          1HB       LEU  86  11.057  12.194  -4.549
  451    HG   LEU  86           HG       LEU  86   8.907  12.130  -3.246
  452   1HD1  LEU  86          1HD1      LEU  86  10.801  12.239  -0.904
  453   2HD1  LEU  86          3HD1      LEU  86   9.063  12.527  -0.823
  454   3HD1  LEU  86          2HD1      LEU  86   9.673  10.938  -1.286
  455   1HD2  LEU  86          1HD2      LEU  86  10.925  14.258  -2.549
  456   2HD2  LEU  86          3HD2      LEU  86   9.875  14.228  -3.965
  457   3HD2  LEU  86          2HD2      LEU  86   9.179  14.407  -2.354
  458    H    ASN  87           H        ASN  87  10.348  10.349  -6.223
  459    HA   ASN  87           HA       ASN  87   7.602  10.542  -6.341
  460   1HB   ASN  87          2HB       ASN  87   9.525   9.234  -8.268
  461   2HB   ASN  87          1HB       ASN  87   7.826   9.513  -8.637
  462   1HD2  ASN  87          1HD2      ASN  87   7.090  11.619  -8.929
  463   2HD2  ASN  87          2HD2      ASN  87   8.172  12.933  -9.227
  464    H    LYS  88           H        LYS  88   9.586   7.716  -5.839
  465    HA   LYS  88           HA       LYS  88   7.647   5.735  -6.343
  466   1HB   LYS  88          2HB       LYS  88   9.994   5.168  -6.210
  467   2HB   LYS  88          1HB       LYS  88  10.080   5.731  -4.549
  468   1HG   LYS  88          2HG       LYS  88  10.041   3.342  -4.553
  469   2HG   LYS  88          1HG       LYS  88   8.508   3.927  -3.905
  470   1HD   LYS  88          2HD       LYS  88   7.411   3.508  -6.018
  471   2HD   LYS  88          1HD       LYS  88   8.945   3.048  -6.758
  472   1HE   LYS  88          2HE       LYS  88   7.588   1.093  -6.151
  473   2HE   LYS  88          1HE       LYS  88   9.119   1.136  -5.280
  474   1HZ   LYS  88          2HZ       LYS  88   6.498   2.007  -4.186
  475   2HZ   LYS  88          1HZ       LYS  88   7.269   0.544  -3.833
  476   3HZ   LYS  88          3HZ       LYS  88   7.969   2.008  -3.352
  477    H    ALA  89           H        ALA  89   8.694   7.264  -3.304
  478    HA   ALA  89           HA       ALA  89   6.870   5.925  -1.633
  479   1HB   ALA  89          1HB       ALA  89   8.892   7.141  -0.853
  480   2HB   ALA  89          2HB       ALA  89   7.427   7.554   0.040
  481   3HB   ALA  89          3HB       ALA  89   8.057   8.660  -1.183
  482    H    ILE  90           H        ILE  90   6.558   8.732  -3.677
  483    HA   ILE  90           HA       ILE  90   4.222   9.827  -2.535
  484    HB   ILE  90           HB       ILE  90   5.171   9.962  -5.401
  485   1HG1  ILE  90          2HG1      ILE  90   5.518  11.912  -3.111
  486   2HG1  ILE  90          1HG1      ILE  90   6.775  10.849  -3.733
  487   1HG2  ILE  90          3HG2      ILE  90   3.137  11.646  -3.941
  488   2HG2  ILE  90          2HG2      ILE  90   3.739  11.951  -5.570
  489   3HG2  ILE  90          1HG2      ILE  90   2.805  10.494  -5.235
  490   1HD1  ILE  90          3HD1      ILE  90   6.624  11.992  -5.907
  491   2HD1  ILE  90          2HD1      ILE  90   5.429  13.092  -5.217
  492   3HD1  ILE  90          1HD1      ILE  90   7.078  13.074  -4.590
  493    H    LYS  91           H        LYS  91   4.561   7.833  -5.485
  494    HA   LYS  91           HA       LYS  91   1.860   7.387  -5.937
  495   1HB   LYS  91          2HB       LYS  91   4.285   5.707  -6.558
  496   2HB   LYS  91          1HB       LYS  91   2.668   5.230  -7.058
  497   1HG   LYS  91          2HG       LYS  91   3.981   7.833  -7.808
  498   2HG   LYS  91          1HG       LYS  91   3.962   6.387  -8.820
  499   1HD   LYS  91          2HD       LYS  91   1.537   6.447  -8.908
  500   2HD   LYS  91          1HD       LYS  91   1.511   7.837  -7.821
  501   1HE   LYS  91          2HE       LYS  91   1.199   8.530 -10.135
  502   2HE   LYS  91          1HE       LYS  91   2.708   9.166  -9.480
  503   1HZ   LYS  91          2HZ       LYS  91   3.901   7.390 -10.605
  504   2HZ   LYS  91          1HZ       LYS  91   2.453   6.782 -11.233
  505   3HZ   LYS  91          3HZ       LYS  91   3.010   8.305 -11.713
  506    H    PHE  92           H        PHE  92   4.026   5.935  -3.649
  507    HA   PHE  92           HA       PHE  92   2.505   3.658  -2.979
  508   1HB   PHE  92          2HB       PHE  92   4.910   4.067  -2.379
  509   2HB   PHE  92          1HB       PHE  92   4.359   5.223  -1.174
  510    HD1  PHE  92           HD1      PHE  92   4.825   4.336   0.889
  511    HD2  PHE  92           HD2      PHE  92   3.086   1.837  -2.087
  512    HE1  PHE  92           HE1      PHE  92   4.623   2.517   2.536
  513    HE2  PHE  92           HE2      PHE  92   2.880   0.015  -0.443
  514    HZ   PHE  92           HZ       PHE  92   3.652   0.354   1.870
  515    H    LYS  93           H        LYS  93   2.866   6.692  -1.143
  516    HA   LYS  93           HA       LYS  93   0.734   6.200   0.613
  517   1HB   LYS  93          2HB       LYS  93   2.589   7.872   0.927
  518   2HB   LYS  93          1HB       LYS  93   1.773   8.908  -0.234
  519   1HG   LYS  93          2HG       LYS  93   0.112   7.969   2.003
  520   2HG   LYS  93          1HG       LYS  93   1.434   9.056   2.433
  521   1HD   LYS  93          2HD       LYS  93   0.630  10.661   0.746
  522   2HD   LYS  93          1HD       LYS  93  -0.718   9.582   0.384
  523   1HE   LYS  93          2HE       LYS  93  -1.548   9.811   2.648
  524   2HE   LYS  93          1HE       LYS  93  -0.158  10.807   3.082
  525   1HZ   LYS  93          2HZ       LYS  93  -2.232  11.514   1.077
  526   2HZ   LYS  93          1HZ       LYS  93  -2.108  12.157   2.636
  527   3HZ   LYS  93          3HZ       LYS  93  -0.900  12.469   1.492
  528    H    ILE  94           H        ILE  94   0.737   7.108  -2.670
  529    HA   ILE  94           HA       ILE  94  -1.700   8.585  -2.718
  530    HB   ILE  94           HB       ILE  94  -0.011   7.285  -4.822
  531   1HG1  ILE  94          2HG1      ILE  94  -1.010  10.117  -4.448
  532   2HG1  ILE  94          1HG1      ILE  94   0.561   9.525  -3.918
  533   1HG2  ILE  94          3HG2      ILE  94  -2.747   8.469  -5.279
  534   2HG2  ILE  94          2HG2      ILE  94  -1.600   8.033  -6.546
  535   3HG2  ILE  94          1HG2      ILE  94  -2.285   6.782  -5.506
  536   1HD1  ILE  94          2HD1      ILE  94   1.149   9.049  -6.248
  537   2HD1  ILE  94          1HD1      ILE  94  -0.413   9.685  -6.759
  538   3HD1  ILE  94          3HD1      ILE  94   0.762  10.750  -5.989
  539    H    LEU  95           H        LEU  95  -1.046   5.369  -4.133
  540    HA   LEU  95           HA       LEU  95  -3.688   4.612  -4.463
  541   1HB   LEU  95          2HB       LEU  95  -1.249   2.922  -3.923
  542   2HB   LEU  95          1HB       LEU  95  -2.809   2.247  -4.347
  543    HG   LEU  95           HG       LEU  95  -1.141   4.073  -6.081
  544   1HD1  LEU  95          3HD1      LEU  95  -0.244   1.805  -5.877
  545   2HD1  LEU  95          2HD1      LEU  95  -1.806   1.145  -6.359
  546   3HD1  LEU  95          1HD1      LEU  95  -0.870   2.115  -7.496
  547   1HD2  LEU  95          3HD2      LEU  95  -3.529   4.449  -6.421
  548   2HD2  LEU  95          2HD2      LEU  95  -2.813   3.629  -7.809
  549   3HD2  LEU  95          1HD2      LEU  95  -3.776   2.716  -6.648
  550    H    ILE  96           H        ILE  96  -1.716   4.641  -1.610
  551    HA   ILE  96           HA       ILE  96  -3.460   2.981  -0.066
  552    HB   ILE  96           HB       ILE  96  -1.263   4.852   0.823
  553   1HG1  ILE  96          2HG1      ILE  96  -1.184   1.843   0.686
  554   2HG1  ILE  96          1HG1      ILE  96  -0.716   2.847  -0.682
  555   1HG2  ILE  96          3HG2      ILE  96  -2.746   2.720   2.357
  556   2HG2  ILE  96          2HG2      ILE  96  -1.319   3.581   2.935
  557   3HG2  ILE  96          1HG2      ILE  96  -2.819   4.460   2.639
  558   1HD1  ILE  96          3HD1      ILE  96   0.964   3.938   0.796
  559   2HD1  ILE  96          2HD1      ILE  96   0.567   2.742   2.032
  560   3HD1  ILE  96          1HD1      ILE  96   1.249   2.225   0.489
  561    H    ASN  97           H        ASN  97  -3.084   6.424  -0.619
  562    HA   ASN  97           HA       ASN  97  -4.759   7.308   1.485
  563   1HB   ASN  97          2HB       ASN  97  -3.180   8.801   0.321
  564   2HB   ASN  97          1HB       ASN  97  -4.137   8.661  -1.151
  565   1HD2  ASN  97          1HD2      ASN  97  -6.127   9.686  -1.279
  566   2HD2  ASN  97          2HD2      ASN  97  -6.595  10.925  -0.171
  567    H    LYS  98           H        LYS  98  -5.367   6.475  -1.900
  568    HA   LYS  98           HA       LYS  98  -8.084   7.260  -1.941
  569   1HB   LYS  98          2HB       LYS  98  -6.232   5.946  -3.723
  570   2HB   LYS  98          1HB       LYS  98  -7.785   5.122  -3.746
  571   1HG   LYS  98          2HG       LYS  98  -8.263   6.647  -5.322
  572   2HG   LYS  98          1HG       LYS  98  -8.617   7.670  -3.931
  573   1HD   LYS  98          2HD       LYS  98  -7.233   8.948  -5.373
  574   2HD   LYS  98          1HD       LYS  98  -6.213   8.433  -4.028
  575   1HE   LYS  98          2HE       LYS  98  -5.243   6.685  -5.362
  576   2HE   LYS  98          1HE       LYS  98  -6.368   7.007  -6.680
  577   1HZ   LYS  98          2HZ       LYS  98  -4.288   8.883  -5.691
  578   2HZ   LYS  98          1HZ       LYS  98  -4.192   7.967  -7.109
  579   3HZ   LYS  98          3HZ       LYS  98  -5.360   9.183  -6.964
  580    H    MET  99           H        MET  99  -6.553   4.079  -1.498
  581    HA   MET  99           HA       MET  99  -8.907   2.613  -1.101
  582   1HB   MET  99          2HB       MET  99  -6.720   1.579  -1.547
  583   2HB   MET  99          1HB       MET  99  -6.147   2.106   0.029
  584   1HG   MET  99          2HG       MET  99  -7.833   0.700   1.108
  585   2HG   MET  99          1HG       MET  99  -8.389   0.162  -0.477
  586   1HE   MET  99          3HE       MET  99  -8.095  -2.352   0.309
  587   2HE   MET  99          2HE       MET  99  -6.590  -3.019   0.940
  588   3HE   MET  99          1HE       MET  99  -7.494  -1.835   1.884
  589    H    ARG 100           H        ARG 100  -7.143   4.736   0.977
  590    HA   ARG 100           HA       ARG 100  -8.186   3.792   3.457
  591   1HB   ARG 100          2HB       ARG 100  -6.117   5.067   3.384
  592   2HB   ARG 100          1HB       ARG 100  -6.958   6.447   2.694
  593   1HG   ARG 100          2HG       ARG 100  -6.522   6.822   5.035
  594   2HG   ARG 100          1HG       ARG 100  -8.259   6.673   4.764
  595   1HD   ARG 100          2HD       ARG 100  -8.253   4.423   5.600
  596   2HD   ARG 100          1HD       ARG 100  -6.493   4.416   5.698
  597    HE   ARG 100           HE       ARG 100  -6.915   6.332   7.374
  598   1HH1  ARG 100          1HH1      ARG 100  -8.958   3.543   6.934
  599   2HH1  ARG 100          2HH1      ARG 100  -9.519   3.535   8.571
  600   1HH2  ARG 100          1HH2      ARG 100  -7.647   6.329   9.529
  601   2HH2  ARG 100          2HH2      ARG 100  -8.773   5.119  10.047
  602    H    ASP 101           H        ASP 101  -8.832   6.846   1.722
  603    HA   ASP 101           HA       ASP 101 -11.216   7.347   3.203
  604   1HB   ASP 101          2HB       ASP 101 -10.214   8.610   0.642
  605   2HB   ASP 101          1HB       ASP 101 -11.534   9.226   1.632
  606    H    SER 102           H        SER 102 -10.844   6.933  -0.317
  607    HA   SER 102           HA       SER 102 -12.196   6.026  -1.900
  608   1HB   SER 102          2HB       SER 102 -11.701   3.938  -0.714
  609   2HB   SER 102          1HB       SER 102 -13.047   4.231   0.385
  610    HG   SER 102           HG       SER 102 -14.188   4.384  -1.871
  611    H    LYS 103           H        LYS 103 -13.601   7.603  -2.463
  612    HA   LYS 103           HA       LYS 103 -15.700   8.574  -0.866
  613   1HB   LYS 103          2HB       LYS 103 -15.478   8.611  -3.881
  614   2HB   LYS 103          1HB       LYS 103 -16.532   9.631  -2.911
  615   1HG   LYS 103          2HG       LYS 103 -14.558  10.654  -1.868
  616   2HG   LYS 103          1HG       LYS 103 -13.520   9.655  -2.888
  617   1HD   LYS 103          2HD       LYS 103 -13.687  11.815  -3.902
  618   2HD   LYS 103          1HD       LYS 103 -14.624  10.684  -4.881
  619   1HE   LYS 103          2HE       LYS 103 -15.817  12.793  -4.575
  620   2HE   LYS 103          1HE       LYS 103 -16.681  11.453  -3.821
  621   1HZ   LYS 103          2HZ       LYS 103 -15.751  12.127  -1.681
  622   2HZ   LYS 103          1HZ       LYS 103 -14.968  13.434  -2.417
  623   3HZ   LYS 103          3HZ       LYS 103 -16.659  13.373  -2.378
  624    H    LEU 104           H        LEU 104 -17.486   7.563  -0.244
  625    HA   LEU 104           HA       LEU 104 -18.617   5.501  -2.018
  626   1HB   LEU 104          2HB       LEU 104 -18.747   5.666   0.993
  627   2HB   LEU 104          1HB       LEU 104 -19.543   4.449   0.014
  628    HG   LEU 104           HG       LEU 104 -16.556   4.836   0.228
  629   1HD1  LEU 104          1HD1      LEU 104 -17.534   3.971   2.288
  630   2HD1  LEU 104          3HD1      LEU 104 -18.348   2.701   1.375
  631   3HD1  LEU 104          2HD1      LEU 104 -16.587   2.732   1.464
  632   1HD2  LEU 104          2HD2      LEU 104 -18.199   2.749  -1.201
  633   2HD2  LEU 104          1HD2      LEU 104 -17.171   3.973  -1.947
  634   3HD2  LEU 104          3HD2      LEU 104 -16.451   2.687  -0.978
  635    H    GLU 105           H        GLU 105 -19.899   7.194   0.838
  636    HA   GLU 105           HA       GLU 105 -22.190   8.014  -0.817
  637   1HB   GLU 105          2HB       GLU 105 -22.122   7.413   2.145
  638   2HB   GLU 105          1HB       GLU 105 -23.533   7.969   1.257
  639   1HG   GLU 105          2HG       GLU 105 -22.075   5.374   0.804
  640   2HG   GLU 105          1HG       GLU 105 -23.606   5.569   1.655
  641    H    TRP 106           H        TRP 106 -19.745   9.491  -0.507
  642    HA   TRP 106           HA       TRP 106 -20.896  11.960   0.544
  643   1HB   TRP 106          2HB       TRP 106 -18.489  12.463   1.440
  644   2HB   TRP 106          1HB       TRP 106 -19.606  11.513   2.411
  645    HD1  TRP 106           HD1      TRP 106 -16.453  11.125   0.251
  646    HE1  TRP 106           HE1      TRP 106 -15.302   8.911   0.886
  647    HE3  TRP 106           HE3      TRP 106 -20.008   9.237   3.400
  648    HZ2  TRP 106           HZ2      TRP 106 -15.833   6.663   2.510
  649    HZ3  TRP 106           HZ3      TRP 106 -19.610   7.050   4.453
  650    HH2  TRP 106           HH2      TRP 106 -17.565   5.790   4.016
  651    H    LYS 107           H        LYS 107 -21.137  12.054  -1.855
  652    HA   LYS 107           HA       LYS 107 -18.662  12.870  -3.205
  653   1HB   LYS 107          2HB       LYS 107 -19.996  11.126  -4.317
  654   2HB   LYS 107          1HB       LYS 107 -21.377  12.212  -4.364
  655   1HG   LYS 107          2HG       LYS 107 -20.120  13.738  -5.810
  656   2HG   LYS 107          1HG       LYS 107 -18.748  12.628  -5.775
  657   1HD   LYS 107          2HD       LYS 107 -20.148  10.887  -6.795
  658   2HD   LYS 107          1HD       LYS 107 -21.501  12.018  -6.852
  659   1HE   LYS 107          2HE       LYS 107 -20.390  11.881  -9.016
  660   2HE   LYS 107          1HE       LYS 107 -20.211  13.489  -8.316
  661   1HZ   LYS 107          2HZ       LYS 107 -18.152  11.351  -8.213
  662   2HZ   LYS 107          1HZ       LYS 107 -18.143  12.656  -9.290
  663   3HZ   LYS 107          3HZ       LYS 107 -17.984  12.929  -7.626
  664    H    ASP 108           H        ASP 108 -18.369  14.964  -2.591
  665    HA   ASP 108           HA       ASP 108 -20.598  16.835  -3.012
  666   1HB   ASP 108          2HB       ASP 108 -19.589  16.834  -0.756
  667   2HB   ASP 108          1HB       ASP 108 -18.029  17.242  -1.464

  No H/Q in entry =         667
  Start of MODEL    4
    1    H1   GLY  24          1H        GLY  24 -21.995  -3.448  -1.635
    2    H2   GLY  24          3H        GLY  24 -20.711  -2.608  -0.922
    3    H3   GLY  24          2H        GLY  24 -20.582  -3.155  -2.518
    4   1HA   GLY  24          2HA       GLY  24 -20.784  -4.871  -0.103
    5   2HA   GLY  24          1HA       GLY  24 -19.317  -4.569  -1.021
    6    H    SER  25           H        SER  25 -18.919  -5.715  -2.859
    7    HA   SER  25           HA       SER  25 -20.706  -7.967  -3.357
    8   1HB   SER  25          2HB       SER  25 -20.629  -7.619  -5.798
    9   2HB   SER  25          1HB       SER  25 -21.413  -6.269  -4.979
   10    HG   SER  25           HG       SER  25 -19.166  -6.298  -6.499
   11    H    HIS  26           H        HIS  26 -17.779  -7.036  -2.530
   12    HA   HIS  26           HA       HIS  26 -16.165  -8.621  -4.321
   13   1HB   HIS  26          2HB       HIS  26 -15.440  -7.327  -1.683
   14   2HB   HIS  26          1HB       HIS  26 -14.305  -8.025  -2.833
   15    HD1  HIS  26           HD1      HIS  26 -15.856  -4.897  -1.921
   16    HD2  HIS  26           HD2      HIS  26 -14.350  -6.570  -5.415
   17    HE1  HIS  26           HE1      HIS  26 -15.473  -2.962  -3.482
   18    HE2  HIS  26           HE2      HIS  26 -14.568  -3.998  -5.593
   19    H    MET  27           H        MET  27 -14.556 -10.186  -3.201
   20    HA   MET  27           HA       MET  27 -15.880 -11.789  -1.141
   21   1HB   MET  27          2HB       MET  27 -15.460 -13.862  -2.375
   22   2HB   MET  27          1HB       MET  27 -16.525 -12.796  -3.277
   23   1HG   MET  27          2HG       MET  27 -13.568 -12.990  -3.775
   24   2HG   MET  27          1HG       MET  27 -14.765 -13.968  -4.619
   25   1HE   MET  27          2HE       MET  27 -16.603 -12.988  -6.243
   26   2HE   MET  27          1HE       MET  27 -17.183 -11.926  -4.960
   27   3HE   MET  27          3HE       MET  27 -16.823 -11.266  -6.556
   28    H    ASN  28           H        ASN  28 -13.053 -10.637  -2.709
   29    HA   ASN  28           HA       ASN  28 -11.373 -12.031  -0.730
   30   1HB   ASN  28          2HB       ASN  28  -9.514 -11.845  -2.342
   31   2HB   ASN  28          1HB       ASN  28 -10.857 -12.777  -2.999
   32   1HD2  ASN  28          1HD2      ASN  28  -9.074  -9.803  -3.164
   33   2HD2  ASN  28          2HD2      ASN  28  -9.720  -9.262  -4.671
   34    H    ASN  29           H        ASN  29 -10.075 -10.830   0.543
   35    HA   ASN  29           HA       ASN  29  -9.228  -9.019   1.620
   36   1HB   ASN  29          2HB       ASN  29  -9.193  -7.857  -1.174
   37   2HB   ASN  29          1HB       ASN  29  -8.372  -7.159   0.218
   38   1HD2  ASN  29          1HD2      ASN  29  -7.678  -9.808   1.282
   39   2HD2  ASN  29          2HD2      ASN  29  -6.373 -10.375   0.303
   40    H    GLU  30           H        GLU  30 -10.899  -8.424   2.921
   41    HA   GLU  30           HA       GLU  30 -12.581  -6.216   1.937
   42   1HB   GLU  30          2HB       GLU  30 -13.905  -8.291   2.123
   43   2HB   GLU  30          1HB       GLU  30 -13.443  -8.426   3.814
   44   1HG   GLU  30          2HG       GLU  30 -15.674  -7.534   3.624
   45   2HG   GLU  30          1HG       GLU  30 -14.588  -6.313   4.286
   46    H    ASP  31           H        ASP  31 -11.788  -7.857   5.010
   47    HA   ASP  31           HA       ASP  31 -12.036  -5.545   6.595
   48   1HB   ASP  31          2HB       ASP  31 -10.454  -8.072   7.114
   49   2HB   ASP  31          1HB       ASP  31 -10.834  -6.852   8.325
   50    H    PHE  32           H        PHE  32 -10.884  -3.793   5.957
   51    HA   PHE  32           HA       PHE  32  -8.274  -3.814   4.929
   52   1HB   PHE  32          2HB       PHE  32  -9.872  -1.957   4.636
   53   2HB   PHE  32          1HB       PHE  32  -9.730  -1.574   6.348
   54    HD1  PHE  32           HD1      PHE  32  -7.770  -1.827   3.214
   55    HD2  PHE  32           HD2      PHE  32  -8.081  -0.127   7.099
   56    HE1  PHE  32           HE1      PHE  32  -5.865  -0.350   2.713
   57    HE2  PHE  32           HE2      PHE  32  -6.176   1.354   6.609
   58    HZ   PHE  32           HZ       PHE  32  -5.066   1.242   4.413
   59    H    SER  33           H        SER  33  -9.369  -4.273   8.109
   60    HA   SER  33           HA       SER  33  -6.885  -3.324   9.313
   61   1HB   SER  33          2HB       SER  33  -8.975  -2.766  10.458
   62   2HB   SER  33          1HB       SER  33  -9.371  -4.478  10.594
   63    HG   SER  33           HG       SER  33  -8.415  -3.625  12.506
   64    H    GLN  34           H        GLN  34  -8.198  -6.204   8.084
   65    HA   GLN  34           HA       GLN  34  -6.483  -7.876   9.771
   66   1HB   GLN  34          2HB       GLN  34  -8.632  -8.648   7.791
   67   2HB   GLN  34          1HB       GLN  34  -7.704  -9.778   8.768
   68   1HG   GLN  34          2HG       GLN  34  -9.417  -7.605   9.940
   69   2HG   GLN  34          1HG       GLN  34 -10.004  -9.233   9.608
   70   1HE2  GLN  34          1HE2      GLN  34 -10.434  -9.609  11.776
   71   2HE2  GLN  34          2HE2      GLN  34  -9.179  -9.893  12.930
   72    H    TRP  35           H        TRP  35  -5.586  -6.097   7.475
   73    HA   TRP  35           HA       TRP  35  -4.689  -7.915   5.438
   74   1HB   TRP  35          2HB       TRP  35  -4.156  -5.015   6.033
   75   2HB   TRP  35          1HB       TRP  35  -3.239  -5.869   4.796
   76    HD1  TRP  35           HD1      TRP  35  -6.956  -6.629   5.220
   77    HE1  TRP  35           HE1      TRP  35  -8.219  -5.769   3.149
   78    HE3  TRP  35           HE3      TRP  35  -3.150  -4.086   2.948
   79    HZ2  TRP  35           HZ2      TRP  35  -7.675  -4.217   0.855
   80    HZ3  TRP  35           HZ3      TRP  35  -3.604  -2.941   0.818
   81    HH2  TRP  35           HH2      TRP  35  -5.819  -3.006  -0.206
   82    H    SER  36           H        SER  36  -2.495  -8.458   4.977
   83    HA   SER  36           HA       SER  36  -0.714  -8.349   7.323
   84   1HB   SER  36          2HB       SER  36  -1.084 -10.663   5.405
   85   2HB   SER  36          1HB       SER  36   0.112 -10.599   6.699
   86    HG   SER  36           HG       SER  36  -1.848 -10.199   8.080
   87    H    VAL  37           H        VAL  37   1.615  -8.948   6.636
   88    HA   VAL  37           HA       VAL  37   2.612  -6.956   4.988
   89    HB   VAL  37           HB       VAL  37   3.883  -9.576   5.785
   90   1HG1  VAL  37          2HG1      VAL  37   5.140  -7.156   4.497
   91   2HG1  VAL  37          1HG1      VAL  37   6.032  -8.503   5.204
   92   3HG1  VAL  37          3HG1      VAL  37   4.999  -8.770   3.800
   93   1HG2  VAL  37          2HG2      VAL  37   3.322  -8.095   7.644
   94   2HG2  VAL  37          1HG2      VAL  37   5.070  -8.207   7.425
   95   3HG2  VAL  37          3HG2      VAL  37   4.200  -6.778   6.865
   96    H    ASP  38           H        ASP  38   2.299 -10.429   4.207
   97    HA   ASP  38           HA       ASP  38   3.232 -10.296   1.590
   98   1HB   ASP  38          2HB       ASP  38   2.042 -12.414   1.224
   99   2HB   ASP  38          1HB       ASP  38   2.882 -12.412   2.772
  100    H    ASP  39           H        ASP  39   0.097  -9.483   2.899
  101    HA   ASP  39           HA       ASP  39  -1.250  -9.397   0.375
  102   1HB   ASP  39          2HB       ASP  39  -2.434  -9.765   2.520
  103   2HB   ASP  39          1HB       ASP  39  -2.039  -8.117   2.999
  104    H    VAL  40           H        VAL  40   0.192  -6.963   2.513
  105    HA   VAL  40           HA       VAL  40  -0.577  -4.717   0.975
  106    HB   VAL  40           HB       VAL  40   1.757  -4.988   2.877
  107   1HG1  VAL  40          2HG1      VAL  40   0.362  -2.528   1.824
  108   2HG1  VAL  40          1HG1      VAL  40   1.613  -2.546   3.066
  109   3HG1  VAL  40          3HG1      VAL  40   1.997  -3.054   1.421
  110   1HG2  VAL  40          1HG2      VAL  40  -1.088  -4.097   3.331
  111   2HG2  VAL  40          3HG2      VAL  40  -0.301  -5.525   4.002
  112   3HG2  VAL  40          2HG2      VAL  40   0.218  -3.917   4.502
  113    H    ILE  41           H        ILE  41   2.376  -6.676   1.036
  114    HA   ILE  41           HA       ILE  41   3.895  -5.134  -0.743
  115    HB   ILE  41           HB       ILE  41   4.002  -8.118  -0.286
  116   1HG1  ILE  41          2HG1      ILE  41   5.633  -5.882   0.938
  117   2HG1  ILE  41          1HG1      ILE  41   4.333  -6.746   1.751
  118   1HG2  ILE  41          2HG2      ILE  41   6.026  -6.263  -1.535
  119   2HG2  ILE  41          1HG2      ILE  41   6.297  -7.963  -1.153
  120   3HG2  ILE  41          3HG2      ILE  41   5.099  -7.512  -2.366
  121   1HD1  ILE  41          3HD1      ILE  41   5.617  -8.822   1.564
  122   2HD1  ILE  41          2HD1      ILE  41   6.923  -7.932   0.782
  123   3HD1  ILE  41          1HD1      ILE  41   6.491  -7.577   2.455
  124    H    THR  42           H        THR  42   2.074  -8.129  -1.417
  125    HA   THR  42           HA       THR  42   2.454  -8.196  -4.157
  126    HB   THR  42           HB       THR  42  -0.043  -9.089  -2.707
  127    HG1  THR  42           HG1      THR  42   2.166 -10.734  -3.359
  128   1HG2  THR  42          1HG2      THR  42   1.186  -9.948  -5.330
  129   2HG2  THR  42          3HG2      THR  42  -0.194 -10.726  -4.552
  130   3HG2  THR  42          2HG2      THR  42  -0.325  -9.060  -5.120
  131    H    TRP  43           H        TRP  43  -0.440  -6.921  -2.486
  132    HA   TRP  43           HA       TRP  43  -1.760  -5.921  -4.696
  133   1HB   TRP  43          2HB       TRP  43  -2.814  -6.030  -2.509
  134   2HB   TRP  43          1HB       TRP  43  -1.700  -4.821  -1.878
  135    HD1  TRP  43           HD1      TRP  43  -4.749  -5.161  -4.184
  136    HE1  TRP  43           HE1      TRP  43  -5.816  -2.838  -4.473
  137    HE3  TRP  43           HE3      TRP  43  -1.212  -2.341  -1.805
  138    HZ2  TRP  43           HZ2      TRP  43  -5.235  -0.163  -3.787
  139    HZ3  TRP  43           HZ3      TRP  43  -1.542   0.093  -1.666
  140    HH2  TRP  43           HH2      TRP  43  -3.512   1.159  -2.637
  141    H    CYS  44           H        CYS  44   0.451  -4.151  -2.550
  142    HA   CYS  44           HA       CYS  44   0.425  -1.684  -3.765
  143   1HB   CYS  44          2HB       CYS  44   1.569  -1.889  -1.711
  144   2HB   CYS  44          1HB       CYS  44   2.603  -3.176  -2.321
  145    HG   CYS  44           HG       CYS  44   4.474  -1.348  -2.284
  146    H    ILE  45           H        ILE  45   3.010  -4.068  -4.295
  147    HA   ILE  45           HA       ILE  45   4.247  -2.844  -6.442
  148    HB   ILE  45           HB       ILE  45   4.006  -5.813  -5.944
  149   1HG1  ILE  45          2HG1      ILE  45   6.126  -3.868  -5.009
  150   2HG1  ILE  45          1HG1      ILE  45   4.837  -4.505  -3.995
  151   1HG2  ILE  45          1HG2      ILE  45   6.026  -4.225  -7.517
  152   2HG2  ILE  45          3HG2      ILE  45   6.153  -5.945  -7.145
  153   3HG2  ILE  45          2HG2      ILE  45   4.838  -5.356  -8.162
  154   1HD1  ILE  45          3HD1      ILE  45   5.710  -6.764  -4.315
  155   2HD1  ILE  45          2HD1      ILE  45   7.006  -6.115  -5.320
  156   3HD1  ILE  45          1HD1      ILE  45   6.917  -5.687  -3.613
  157    H    SER  46           H        SER  46   1.571  -5.161  -6.479
  158    HA   SER  46           HA       SER  46   1.476  -5.674  -9.210
  159   1HB   SER  46          2HB       SER  46  -0.728  -5.656  -7.148
  160   2HB   SER  46          1HB       SER  46  -0.938  -6.250  -8.796
  161    HG   SER  46           HG       SER  46   0.381  -7.918  -8.384
  162    H    THR  47           H        THR  47   0.830  -2.704  -7.674
  163    HA   THR  47           HA       THR  47  -0.269  -1.695 -10.178
  164    HB   THR  47           HB       THR  47  -2.271  -2.230  -8.925
  165    HG1  THR  47           HG1      THR  47  -3.194  -0.344  -9.384
  166   1HG2  THR  47          3HG2      THR  47  -1.095  -0.470  -6.773
  167   2HG2  THR  47          2HG2      THR  47  -2.761  -1.052  -6.795
  168   3HG2  THR  47          1HG2      THR  47  -1.428  -2.198  -6.666
  169    H    LEU  48           H        LEU  48   2.119  -1.321  -8.085
  170    HA   LEU  48           HA       LEU  48   1.884   1.579  -7.796
  171   1HB   LEU  48          2HB       LEU  48   2.690   0.107  -5.916
  172   2HB   LEU  48          1HB       LEU  48   4.144  -0.176  -6.855
  173    HG   LEU  48           HG       LEU  48   3.320   2.631  -6.202
  174   1HD1  LEU  48          1HD1      LEU  48   4.857   0.781  -4.391
  175   2HD1  LEU  48          3HD1      LEU  48   4.677   2.520  -4.170
  176   3HD1  LEU  48          2HD1      LEU  48   3.265   1.468  -4.075
  177   1HD2  LEU  48          2HD2      LEU  48   5.977   1.278  -6.645
  178   2HD2  LEU  48          1HD2      LEU  48   5.124   2.315  -7.790
  179   3HD2  LEU  48          3HD2      LEU  48   5.745   2.989  -6.284
  180    H    GLU  49           H        GLU  49   4.642  -0.501  -8.727
  181    HA   GLU  49           HA       GLU  49   5.016   1.158 -11.103
  182   1HB   GLU  49          2HB       GLU  49   6.371   2.189  -9.313
  183   2HB   GLU  49          1HB       GLU  49   7.217   0.664  -9.093
  184   1HG   GLU  49          2HG       GLU  49   8.050   0.807 -11.393
  185   2HG   GLU  49          1HG       GLU  49   7.227   2.355 -11.583
  186    H    VAL  50           H        VAL  50   6.987  -1.240  -9.388
  187    HA   VAL  50           HA       VAL  50   7.393  -2.698 -11.874
  188    HB   VAL  50           HB       VAL  50   9.077  -3.967 -10.624
  189   1HG1  VAL  50          2HG1      VAL  50   9.709  -1.821 -11.625
  190   2HG1  VAL  50          1HG1      VAL  50   9.287  -0.999 -10.123
  191   3HG1  VAL  50          3HG1      VAL  50  10.626  -2.144 -10.154
  192   1HG2  VAL  50          2HG2      VAL  50   8.094  -2.371  -8.263
  193   2HG2  VAL  50          1HG2      VAL  50   8.037  -4.122  -8.468
  194   3HG2  VAL  50          3HG2      VAL  50   9.590  -3.306  -8.278
  195    H    GLU  51           H        GLU  51   7.681  -5.233 -11.279
  196    HA   GLU  51           HA       GLU  51   5.057  -6.085 -10.251
  197   1HB   GLU  51          2HB       GLU  51   5.394  -8.132 -11.572
  198   2HB   GLU  51          1HB       GLU  51   5.482  -6.698 -12.586
  199   1HG   GLU  51          2HG       GLU  51   7.916  -6.822 -12.564
  200   2HG   GLU  51          1HG       GLU  51   7.834  -8.250 -11.534
  201    H    GLU  52           H        GLU  52   5.468  -8.701  -9.618
  202    HA   GLU  52           HA       GLU  52   7.044  -8.451  -7.222
  203   1HB   GLU  52          2HB       GLU  52   5.598 -10.847  -8.370
  204   2HB   GLU  52          1HB       GLU  52   6.318 -10.773  -6.768
  205   1HG   GLU  52          2HG       GLU  52   4.783  -8.948  -6.182
  206   2HG   GLU  52          1HG       GLU  52   4.041  -9.084  -7.775
  207    H    THR  53           H        THR  53   9.002  -7.991  -8.505
  208    HA   THR  53           HA       THR  53  10.568 -10.433  -8.805
  209    HB   THR  53           HB       THR  53  11.618  -9.630 -10.887
  210    HG1  THR  53           HG1      THR  53  10.219  -7.398 -10.299
  211   1HG2  THR  53          2HG2      THR  53   8.614  -9.896 -11.060
  212   2HG2  THR  53          1HG2      THR  53   9.736 -10.087 -12.408
  213   3HG2  THR  53          3HG2      THR  53   9.781 -11.220 -11.057
  214    H    ASP  54           H        ASP  54  10.493  -6.920  -8.848
  215    HA   ASP  54           HA       ASP  54  13.204  -6.436  -8.304
  216   1HB   ASP  54          2HB       ASP  54  10.852  -4.954  -8.777
  217   2HB   ASP  54          1HB       ASP  54  11.489  -4.380  -7.248
  218    HA   PRO  55           HA       PRO  55  13.641  -7.187  -3.970
  219   1HB   PRO  55          2HB       PRO  55  15.169  -5.067  -3.170
  220   2HB   PRO  55          1HB       PRO  55  15.810  -6.457  -4.052
  221   1HG   PRO  55          2HG       PRO  55  15.014  -3.763  -5.082
  222   2HG   PRO  55          1HG       PRO  55  16.432  -4.745  -5.495
  223   1HD   PRO  55          2HD       PRO  55  14.273  -4.622  -7.096
  224   2HD   PRO  55          1HD       PRO  55  15.225  -6.110  -6.923
  225    H    LEU  56           H        LEU  56  11.924  -4.570  -5.167
  226    HA   LEU  56           HA       LEU  56  11.364  -2.953  -2.999
  227   1HB   LEU  56          2HB       LEU  56  10.571  -2.540  -5.291
  228   2HB   LEU  56          1HB       LEU  56   9.457  -3.886  -5.148
  229    HG   LEU  56           HG       LEU  56   8.361  -2.625  -3.241
  230   1HD1  LEU  56          3HD1      LEU  56  10.020  -0.369  -4.357
  231   2HD1  LEU  56          2HD1      LEU  56   8.713  -0.207  -3.185
  232   3HD1  LEU  56          1HD1      LEU  56  10.181  -1.084  -2.753
  233   1HD2  LEU  56          3HD2      LEU  56   7.475  -2.776  -5.560
  234   2HD2  LEU  56          2HD2      LEU  56   7.021  -1.294  -4.717
  235   3HD2  LEU  56          1HD2      LEU  56   8.304  -1.263  -5.928
  236    H    CYS  57           H        CYS  57  10.124  -6.133  -3.795
  237    HA   CYS  57           HA       CYS  57   8.079  -6.219  -1.832
  238   1HB   CYS  57          2HB       CYS  57   8.072  -8.644  -2.247
  239   2HB   CYS  57          1HB       CYS  57   8.087  -7.734  -3.753
  240    HG   CYS  57           HG       CYS  57  11.183  -8.176  -3.214
  241    H    GLN  58           H        GLN  58  11.496  -6.992  -1.818
  242    HA   GLN  58           HA       GLN  58  11.456  -8.293   0.735
  243   1HB   GLN  58          2HB       GLN  58  13.173  -8.701  -1.053
  244   2HB   GLN  58          1HB       GLN  58  13.828  -7.105  -0.712
  245   1HG   GLN  58          2HG       GLN  58  14.370  -7.772   1.548
  246   2HG   GLN  58          1HG       GLN  58  13.632  -9.350   1.283
  247   1HE2  GLN  58          1HE2      GLN  58  15.547  -7.671  -1.111
  248   2HE2  GLN  58          2HE2      GLN  58  16.885  -8.762  -1.087
  249    H    ARG  59           H        ARG  59  11.792  -5.033  -0.410
  250    HA   ARG  59           HA       ARG  59  12.944  -3.936   1.953
  251   1HB   ARG  59          2HB       ARG  59  11.346  -2.592  -0.231
  252   2HB   ARG  59          1HB       ARG  59  12.285  -1.759   0.996
  253   1HG   ARG  59          2HG       ARG  59  13.421  -3.657  -1.041
  254   2HG   ARG  59          1HG       ARG  59  13.405  -1.901  -1.198
  255   1HD   ARG  59          2HD       ARG  59  14.790  -3.508   0.942
  256   2HD   ARG  59          1HD       ARG  59  15.550  -2.639  -0.387
  257    HE   ARG  59           HE       ARG  59  13.969  -1.174   1.604
  258   1HH1  ARG  59          1HH1      ARG  59  17.004  -1.813   0.018
  259   2HH1  ARG  59          2HH1      ARG  59  17.803  -0.441   0.711
  260   1HH2  ARG  59          1HH2      ARG  59  15.014   0.633   2.523
  261   2HH2  ARG  59          2HH2      ARG  59  16.671   0.949   2.134
  262    H    LEU  60           H        LEU  60   9.657  -4.393   0.786
  263    HA   LEU  60           HA       LEU  60   8.448  -3.014   2.999
  264   1HB   LEU  60          2HB       LEU  60   7.234  -4.863   0.941
  265   2HB   LEU  60          1HB       LEU  60   6.331  -3.876   2.073
  266    HG   LEU  60           HG       LEU  60   8.199  -2.692   0.025
  267   1HD1  LEU  60          3HD1      LEU  60   6.449  -4.005  -1.100
  268   2HD1  LEU  60          2HD1      LEU  60   5.222  -3.100  -0.215
  269   3HD1  LEU  60          1HD1      LEU  60   6.266  -2.271  -1.369
  270   1HD2  LEU  60          2HD2      LEU  60   7.615  -1.286   1.950
  271   2HD2  LEU  60          1HD2      LEU  60   6.933  -0.662   0.449
  272   3HD2  LEU  60          3HD2      LEU  60   5.903  -1.521   1.595
  273    H    ARG  61           H        ARG  61   9.311  -6.299   2.197
  274    HA   ARG  61           HA       ARG  61   7.749  -7.635   4.123
  275   1HB   ARG  61          2HB       ARG  61   8.831  -8.772   2.229
  276   2HB   ARG  61          1HB       ARG  61  10.407  -8.456   2.942
  277   1HG   ARG  61          2HG       ARG  61   9.760  -9.813   4.897
  278   2HG   ARG  61          1HG       ARG  61   8.231 -10.184   4.099
  279   1HD   ARG  61          2HD       ARG  61  10.983 -10.859   3.066
  280   2HD   ARG  61          1HD       ARG  61   9.848 -11.989   3.803
  281    HE   ARG  61           HE       ARG  61   8.706 -10.658   1.558
  282   1HH1  ARG  61          1HH1      ARG  61  10.870 -13.232   2.473
  283   2HH1  ARG  61          2HH1      ARG  61  10.602 -14.145   1.027
  284   1HH2  ARG  61          1HH2      ARG  61   8.350 -11.854  -0.350
  285   2HH2  ARG  61          2HH2      ARG  61   9.170 -13.362  -0.578
  286    H    GLU  62           H        GLU  62  11.172  -6.620   4.245
  287    HA   GLU  62           HA       GLU  62  11.805  -7.546   6.760
  288   1HB   GLU  62          2HB       GLU  62  13.516  -5.766   6.840
  289   2HB   GLU  62          1HB       GLU  62  13.492  -6.617   5.301
  290   1HG   GLU  62          2HG       GLU  62  12.420  -4.812   4.218
  291   2HG   GLU  62          1HG       GLU  62  12.080  -4.015   5.751
  292    H    ASN  63           H        ASN  63  10.204  -4.504   5.913
  293    HA   ASN  63           HA       ASN  63   9.900  -3.876   8.750
  294   1HB   ASN  63          2HB       ASN  63   9.295  -2.291   6.251
  295   2HB   ASN  63          1HB       ASN  63   8.875  -1.738   7.868
  296   1HD2  ASN  63          1HD2      ASN  63  11.432  -2.325   5.614
  297   2HD2  ASN  63          2HD2      ASN  63  12.679  -1.523   6.501
  298    H    ASP  64           H        ASP  64   8.410  -5.454   9.361
  299    HA   ASP  64           HA       ASP  64   6.003  -6.015   8.039
  300   1HB   ASP  64          2HB       ASP  64   5.262  -6.894  10.289
  301   2HB   ASP  64          1HB       ASP  64   6.782  -7.552   9.692
  302    H    ILE  65           H        ILE  65   4.669  -4.398   7.474
  303    HA   ILE  65           HA       ILE  65   3.701  -2.630   9.626
  304    HB   ILE  65           HB       ILE  65   4.017  -1.895   6.716
  305   1HG1  ILE  65          2HG1      ILE  65   6.175  -2.006   7.875
  306   2HG1  ILE  65          1HG1      ILE  65   5.752  -0.342   7.493
  307   1HG2  ILE  65          3HG2      ILE  65   3.079  -0.258   9.064
  308   2HG2  ILE  65          2HG2      ILE  65   3.378   0.360   7.440
  309   3HG2  ILE  65          1HG2      ILE  65   2.093  -0.815   7.712
  310   1HD1  ILE  65          1HD1      ILE  65   5.035  -0.002   9.804
  311   2HD1  ILE  65          3HD1      ILE  65   5.472  -1.669  10.180
  312   3HD1  ILE  65          2HD1      ILE  65   6.720  -0.516   9.706
  313    H    VAL  66           H        VAL  66   1.662  -3.087  10.099
  314    HA   VAL  66           HA       VAL  66  -0.034  -4.573   8.341
  315    HB   VAL  66           HB       VAL  66  -0.147  -4.762  10.814
  316   1HG1  VAL  66          3HG1      VAL  66   0.162  -2.414  11.382
  317   2HG1  VAL  66          2HG1      VAL  66  -1.406  -2.027  10.673
  318   3HG1  VAL  66          1HG1      VAL  66  -1.316  -3.048  12.108
  319   1HG2  VAL  66          3HG2      VAL  66  -2.025  -5.460   9.372
  320   2HG2  VAL  66          2HG2      VAL  66  -2.550  -4.932  10.971
  321   3HG2  VAL  66          1HG2      VAL  66  -2.747  -3.865   9.582
  322    H    GLY  67           H        GLY  67  -2.240  -3.817   7.741
  323   1HA   GLY  67          1HA       GLY  67  -3.577  -2.381   6.549
  324   2HA   GLY  67          2HA       GLY  67  -2.112  -1.489   6.173
  325    H    ASP  68           H        ASP  68  -2.820  -1.876   9.499
  326    HA   ASP  68           HA       ASP  68  -4.443   0.476   9.774
  327   1HB   ASP  68          2HB       ASP  68  -4.629  -1.422  11.337
  328   2HB   ASP  68          1HB       ASP  68  -2.979  -1.131  11.880
  329    H    LEU  69           H        LEU  69  -1.124  -0.059   9.389
  330    HA   LEU  69           HA       LEU  69  -0.442   2.475  10.712
  331   1HB   LEU  69          2HB       LEU  69   1.369   0.261   9.762
  332   2HB   LEU  69          1HB       LEU  69   1.889   1.720  10.581
  333    HG   LEU  69           HG       LEU  69   0.102  -0.387  11.798
  334   1HD1  LEU  69          1HD1      LEU  69   2.394  -1.189  11.355
  335   2HD1  LEU  69          3HD1      LEU  69   3.024   0.166  12.294
  336   3HD1  LEU  69          2HD1      LEU  69   2.032  -1.065  13.077
  337   1HD2  LEU  69          2HD2      LEU  69   1.462   2.026  12.996
  338   2HD2  LEU  69          1HD2      LEU  69  -0.270   1.824  12.739
  339   3HD2  LEU  69          3HD2      LEU  69   0.575   0.797  13.897
  340    H    LEU  70           H        LEU  70  -0.914   1.072   7.647
  341    HA   LEU  70           HA       LEU  70   0.938   2.356   6.042
  342   1HB   LEU  70          2HB       LEU  70  -1.942   1.704   5.425
  343   2HB   LEU  70          1HB       LEU  70  -0.764   2.201   4.227
  344    HG   LEU  70           HG       LEU  70  -0.615  -0.307   5.901
  345   1HD1  LEU  70          3HD1      LEU  70  -2.377  -0.380   4.207
  346   2HD1  LEU  70          2HD1      LEU  70  -1.203   0.066   2.969
  347   3HD1  LEU  70          1HD1      LEU  70  -1.052  -1.475   3.813
  348   1HD2  LEU  70          1HD2      LEU  70   1.170   0.698   3.686
  349   2HD2  LEU  70          3HD2      LEU  70   1.600   0.548   5.390
  350   3HD2  LEU  70          2HD2      LEU  70   1.265  -0.896   4.435
  351    HA   PRO  71           HA       PRO  71  -1.752   6.254   5.802
  352   1HB   PRO  71          2HB       PRO  71  -4.104   6.457   7.026
  353   2HB   PRO  71          1HB       PRO  71  -3.942   5.512   5.540
  354   1HG   PRO  71          2HG       PRO  71  -4.112   4.578   8.372
  355   2HG   PRO  71          1HG       PRO  71  -4.837   3.877   6.914
  356   1HD   PRO  71          2HD       PRO  71  -2.478   3.016   8.131
  357   2HD   PRO  71          1HD       PRO  71  -2.980   2.642   6.471
  358    H    GLU  72           H        GLU  72  -1.103   4.718   8.747
  359    HA   GLU  72           HA       GLU  72  -1.471   7.030  10.442
  360   1HB   GLU  72          2HB       GLU  72  -1.818   4.730  11.286
  361   2HB   GLU  72          1HB       GLU  72  -0.112   4.392  11.024
  362   1HG   GLU  72          2HG       GLU  72  -0.440   4.842  13.337
  363   2HG   GLU  72          1HG       GLU  72   0.434   6.202  12.633
  364    H    LEU  73           H        LEU  73   1.098   5.563   8.616
  365    HA   LEU  73           HA       LEU  73   3.128   7.174   9.950
  366   1HB   LEU  73          2HB       LEU  73   3.374   5.162   7.713
  367   2HB   LEU  73          1HB       LEU  73   4.717   5.971   8.497
  368    HG   LEU  73           HG       LEU  73   2.786   4.113   9.890
  369   1HD1  LEU  73          2HD1      LEU  73   4.175   2.937   8.251
  370   2HD1  LEU  73          1HD1      LEU  73   5.620   3.623   8.993
  371   3HD1  LEU  73          3HD1      LEU  73   4.605   2.507   9.907
  372   1HD2  LEU  73          1HD2      LEU  73   5.354   5.396  10.812
  373   2HD2  LEU  73          3HD2      LEU  73   3.730   5.769  11.390
  374   3HD2  LEU  73          2HD2      LEU  73   4.437   4.185  11.708
  375    H    CYS  74           H        CYS  74   4.696   8.379   8.593
  376    HA   CYS  74           HA       CYS  74   3.235   9.988   6.642
  377   1HB   CYS  74          2HB       CYS  74   5.126  11.583   6.906
  378   2HB   CYS  74          1HB       CYS  74   4.302  11.227   8.421
  379    HG   CYS  74           HG       CYS  74   6.650   9.055   8.313
  380    H    LEU  75           H        LEU  75   5.350  11.053   5.204
  381    HA   LEU  75           HA       LEU  75   5.783   8.953   3.299
  382   1HB   LEU  75          2HB       LEU  75   6.391  11.879   3.388
  383   2HB   LEU  75          1HB       LEU  75   7.157  10.873   2.175
  384    HG   LEU  75           HG       LEU  75   5.167  11.989   1.294
  385   1HD1  LEU  75          2HD1      LEU  75   5.810   9.824   0.378
  386   2HD1  LEU  75          1HD1      LEU  75   4.812   9.011   1.584
  387   3HD1  LEU  75          3HD1      LEU  75   4.058  10.030   0.358
  388   1HD2  LEU  75          2HD2      LEU  75   3.886  12.158   3.366
  389   2HD2  LEU  75          1HD2      LEU  75   2.942  11.391   2.088
  390   3HD2  LEU  75          3HD2      LEU  75   3.654  10.410   3.368
  391    H    GLN  76           H        GLN  76   7.428   9.885   6.044
  392    HA   GLN  76           HA       GLN  76  10.117   9.581   5.141
  393   1HB   GLN  76          2HB       GLN  76   9.487  10.820   7.197
  394   2HB   GLN  76          1HB       GLN  76   9.013   9.301   7.943
  395   1HG   GLN  76          2HG       GLN  76  11.785   9.697   6.888
  396   2HG   GLN  76          1HG       GLN  76  11.322  10.291   8.482
  397   1HE2  GLN  76          1HE2      GLN  76   9.469   8.095   8.951
  398   2HE2  GLN  76          2HE2      GLN  76  10.440   6.709   9.296
  399    H    ASP  77           H        ASP  77   7.831   7.429   6.801
  400    HA   ASP  77           HA       ASP  77   9.547   5.227   7.072
  401   1HB   ASP  77          2HB       ASP  77   7.409   5.418   8.269
  402   2HB   ASP  77          1HB       ASP  77   6.541   5.244   6.747
  403    H    CYS  78           H        CYS  78   6.950   5.694   4.676
  404    HA   CYS  78           HA       CYS  78   7.433   3.515   3.073
  405   1HB   CYS  78          2HB       CYS  78   6.338   4.739   1.268
  406   2HB   CYS  78          1HB       CYS  78   5.516   5.029   2.793
  407    HG   CYS  78           HG       CYS  78   6.878   7.539   3.142
  408    H    GLN  79           H        GLN  79   8.997   6.679   2.961
  409    HA   GLN  79           HA       GLN  79  10.509   6.376   0.656
  410   1HB   GLN  79          2HB       GLN  79  10.315   8.459   2.033
  411   2HB   GLN  79          1HB       GLN  79  11.429   7.744   3.190
  412   1HG   GLN  79          2HG       GLN  79  13.147   7.622   1.453
  413   2HG   GLN  79          1HG       GLN  79  12.027   8.358   0.305
  414   1HE2  GLN  79          1HE2      GLN  79  13.367  10.117  -0.045
  415   2HE2  GLN  79          2HE2      GLN  79  13.586  11.363   1.132
  416    H    ASP  80           H        ASP  80  11.271   5.394   3.980
  417    HA   ASP  80           HA       ASP  80  13.825   4.331   3.428
  418   1HB   ASP  80          2HB       ASP  80  13.080   4.850   5.708
  419   2HB   ASP  80          1HB       ASP  80  11.858   3.585   5.607
  420    H    LEU  81           H        LEU  81  10.605   3.102   3.065
  421    HA   LEU  81           HA       LEU  81  11.334   0.352   2.732
  422   1HB   LEU  81          2HB       LEU  81   8.878   1.978   2.596
  423   2HB   LEU  81          1HB       LEU  81   8.891   0.572   1.554
  424    HG   LEU  81           HG       LEU  81   8.931  -0.921   3.335
  425   1HD1  LEU  81          1HD1      LEU  81   9.917   1.345   5.056
  426   2HD1  LEU  81          3HD1      LEU  81   9.438  -0.236   5.673
  427   3HD1  LEU  81          2HD1      LEU  81  10.804  -0.100   4.567
  428   1HD2  LEU  81          2HD2      LEU  81   6.804   0.304   3.197
  429   2HD2  LEU  81          1HD2      LEU  81   7.156  -0.240   4.838
  430   3HD2  LEU  81          3HD2      LEU  81   7.402   1.450   4.398
  431    H    CYS  82           H        CYS  82  11.569   3.091   0.779
  432    HA   CYS  82           HA       CYS  82  11.433   1.550  -1.709
  433   1HB   CYS  82          2HB       CYS  82  11.696   4.533  -1.278
  434   2HB   CYS  82          1HB       CYS  82  11.528   3.736  -2.839
  435    HG   CYS  82           HG       CYS  82   9.173   5.007  -1.204
  436    H    ASP  83           H        ASP  83  13.147   2.438  -3.382
  437    HA   ASP  83           HA       ASP  83  15.671   1.547  -2.469
  438   1HB   ASP  83          2HB       ASP  83  14.913   1.316  -4.809
  439   2HB   ASP  83          1HB       ASP  83  14.992   3.065  -4.999
  440    H    GLY  84           H        GLY  84  14.151   4.621  -2.449
  441   1HA   GLY  84          1HA       GLY  84  16.728   5.978  -2.001
  442   2HA   GLY  84          2HA       GLY  84  15.452   6.099  -0.798
  443    H    ASP  85           H        ASP  85  14.282   5.922  -3.964
  444    HA   ASP  85           HA       ASP  85  14.409   8.741  -4.543
  445   1HB   ASP  85          2HB       ASP  85  14.478   7.127  -6.371
  446   2HB   ASP  85          1HB       ASP  85  12.907   6.488  -5.895
  447    H    LEU  86           H        LEU  86  12.973  10.248  -3.984
  448    HA   LEU  86           HA       LEU  86  10.854   9.660  -2.201
  449   1HB   LEU  86          2HB       LEU  86  12.090  11.785  -2.190
  450   2HB   LEU  86          1HB       LEU  86  11.402  12.190  -3.751
  451    HG   LEU  86           HG       LEU  86   9.142  12.187  -2.720
  452   1HD1  LEU  86          1HD1      LEU  86  10.685  11.851  -0.150
  453   2HD1  LEU  86          3HD1      LEU  86   8.967  12.231  -0.276
  454   3HD1  LEU  86          2HD1      LEU  86   9.573  10.683  -0.861
  455   1HD2  LEU  86          1HD2      LEU  86  11.158  14.027  -1.436
  456   2HD2  LEU  86          3HD2      LEU  86  10.379  14.265  -3.001
  457   3HD2  LEU  86          2HD2      LEU  86   9.418  14.302  -1.524
  458    H    ASN  87           H        ASN  87  10.928  10.519  -5.640
  459    HA   ASN  87           HA       ASN  87   8.255  10.863  -6.172
  460   1HB   ASN  87          2HB       ASN  87  10.315  10.956  -7.749
  461   2HB   ASN  87          1HB       ASN  87   9.986   9.251  -8.026
  462   1HD2  ASN  87          1HD2      ASN  87   7.460  11.567  -7.406
  463   2HD2  ASN  87          2HD2      ASN  87   6.786  11.553  -8.996
  464    H    LYS  88           H        LYS  88  10.053   7.830  -5.994
  465    HA   LYS  88           HA       LYS  88   8.012   6.072  -6.721
  466   1HB   LYS  88          2HB       LYS  88  10.371   5.432  -6.552
  467   2HB   LYS  88          1HB       LYS  88  10.315   5.652  -4.810
  468   1HG   LYS  88          2HG       LYS  88  10.173   3.337  -5.161
  469   2HG   LYS  88          1HG       LYS  88   8.528   3.852  -4.784
  470   1HD   LYS  88          2HD       LYS  88   7.871   3.724  -7.059
  471   2HD   LYS  88          1HD       LYS  88   9.543   3.566  -7.604
  472   1HE   LYS  88          2HE       LYS  88   7.992   1.546  -5.985
  473   2HE   LYS  88          1HE       LYS  88   8.398   1.419  -7.696
  474   1HZ   LYS  88          1HZ       LYS  88  10.351   1.506  -5.458
  475   2HZ   LYS  88          3HZ       LYS  88   9.910   0.125  -6.332
  476   3HZ   LYS  88          2HZ       LYS  88  10.740   1.383  -7.100
  477    H    ALA  89           H        ALA  89   8.989   7.222  -3.501
  478    HA   ALA  89           HA       ALA  89   7.096   5.755  -2.033
  479   1HB   ALA  89          1HB       ALA  89   7.666   7.099  -0.181
  480   2HB   ALA  89          2HB       ALA  89   8.186   8.433  -1.210
  481   3HB   ALA  89          3HB       ALA  89   9.138   6.949  -1.143
  482    H    ILE  90           H        ILE  90   6.882   8.831  -3.706
  483    HA   ILE  90           HA       ILE  90   4.513   9.786  -2.538
  484    HB   ILE  90           HB       ILE  90   5.592  10.233  -5.326
  485   1HG1  ILE  90          2HG1      ILE  90   5.730  11.921  -2.815
  486   2HG1  ILE  90          1HG1      ILE  90   7.061  10.998  -3.502
  487   1HG2  ILE  90          2HG2      ILE  90   3.389  11.677  -3.854
  488   2HG2  ILE  90          1HG2      ILE  90   4.110  12.207  -5.374
  489   3HG2  ILE  90          3HG2      ILE  90   3.217  10.689  -5.305
  490   1HD1  ILE  90          1HD1      ILE  90   6.997  12.403  -5.499
  491   2HD1  ILE  90          3HD1      ILE  90   5.669  13.328  -4.800
  492   3HD1  ILE  90          2HD1      ILE  90   7.258  13.352  -4.037
  493    H    LYS  91           H        LYS  91   4.995   7.908  -5.532
  494    HA   LYS  91           HA       LYS  91   2.318   7.617  -6.236
  495   1HB   LYS  91          2HB       LYS  91   4.660   5.759  -6.679
  496   2HB   LYS  91          1HB       LYS  91   3.086   5.534  -7.428
  497   1HG   LYS  91          2HG       LYS  91   4.820   7.972  -7.780
  498   2HG   LYS  91          1HG       LYS  91   4.738   6.619  -8.909
  499   1HD   LYS  91          2HD       LYS  91   2.410   8.367  -8.109
  500   2HD   LYS  91          1HD       LYS  91   3.328   8.517  -9.607
  501   1HE   LYS  91          2HE       LYS  91   1.715   6.120  -8.738
  502   2HE   LYS  91          1HE       LYS  91   1.250   7.293  -9.969
  503   1HZ   LYS  91          3HZ       LYS  91   3.623   5.510 -10.102
  504   2HZ   LYS  91          2HZ       LYS  91   2.176   5.281 -10.944
  505   3HZ   LYS  91          1HZ       LYS  91   3.151   6.619 -11.290
  506    H    PHE  92           H        PHE  92   4.312   5.786  -3.998
  507    HA   PHE  92           HA       PHE  92   2.606   3.642  -3.472
  508   1HB   PHE  92          2HB       PHE  92   4.915   3.711  -2.692
  509   2HB   PHE  92          1HB       PHE  92   4.550   5.073  -1.645
  510    HD1  PHE  92           HD1      PHE  92   3.160   1.650  -2.237
  511    HD2  PHE  92           HD2      PHE  92   4.454   4.574   0.569
  512    HE1  PHE  92           HE1      PHE  92   2.685   0.088  -0.398
  513    HE2  PHE  92           HE2      PHE  92   3.978   3.019   2.415
  514    HZ   PHE  92           HZ       PHE  92   3.097   0.769   1.932
  515    H    LYS  93           H        LYS  93   2.981   6.653  -1.608
  516    HA   LYS  93           HA       LYS  93   0.825   6.237   0.128
  517   1HB   LYS  93          2HB       LYS  93   2.614   7.876   0.536
  518   2HB   LYS  93          1HB       LYS  93   2.028   8.851  -0.803
  519   1HG   LYS  93          2HG       LYS  93   1.315   9.772   1.325
  520   2HG   LYS  93          1HG       LYS  93  -0.073   9.227   0.381
  521   1HD   LYS  93          2HD       LYS  93  -0.263   7.234   1.707
  522   2HD   LYS  93          1HD       LYS  93   1.239   7.601   2.557
  523   1HE   LYS  93          2HE       LYS  93  -1.246   9.307   2.635
  524   2HE   LYS  93          1HE       LYS  93  -0.797   8.132   3.871
  525   1HZ   LYS  93          1HZ       LYS  93   0.797  10.516   3.089
  526   2HZ   LYS  93          3HZ       LYS  93  -0.136  10.370   4.493
  527   3HZ   LYS  93          2HZ       LYS  93   1.227   9.391   4.277
  528    H    ILE  94           H        ILE  94   0.955   7.462  -3.130
  529    HA   ILE  94           HA       ILE  94  -1.508   8.811  -3.217
  530    HB   ILE  94           HB       ILE  94   0.166   7.488  -5.325
  531   1HG1  ILE  94          2HG1      ILE  94  -0.700  10.359  -4.924
  532   2HG1  ILE  94          1HG1      ILE  94   0.825   9.690  -4.355
  533   1HG2  ILE  94          2HG2      ILE  94  -2.142   7.110  -5.994
  534   2HG2  ILE  94          1HG2      ILE  94  -2.504   8.820  -5.764
  535   3HG2  ILE  94          3HG2      ILE  94  -1.386   8.320  -7.034
  536   1HD1  ILE  94          1HD1      ILE  94   1.430   9.178  -6.687
  537   2HD1  ILE  94          3HD1      ILE  94  -0.065   9.949  -7.215
  538   3HD1  ILE  94          2HD1      ILE  94   1.177  10.899  -6.398
  539    H    LEU  95           H        LEU  95  -0.770   5.554  -4.481
  540    HA   LEU  95           HA       LEU  95  -3.343   4.751  -5.042
  541   1HB   LEU  95          2HB       LEU  95  -1.165   2.986  -3.920
  542   2HB   LEU  95          1HB       LEU  95  -2.557   2.457  -4.845
  543    HG   LEU  95           HG       LEU  95  -0.270   4.137  -5.874
  544   1HD1  LEU  95          2HD1      LEU  95   0.264   1.765  -5.510
  545   2HD1  LEU  95          1HD1      LEU  95  -1.095   1.316  -6.541
  546   3HD1  LEU  95          3HD1      LEU  95   0.270   2.202  -7.218
  547   1HD2  LEU  95          2HD2      LEU  95  -2.728   3.113  -7.292
  548   2HD2  LEU  95          1HD2      LEU  95  -2.352   4.798  -6.937
  549   3HD2  LEU  95          3HD2      LEU  95  -1.347   3.890  -8.068
  550    H    ILE  96           H        ILE  96  -1.648   4.789  -1.969
  551    HA   ILE  96           HA       ILE  96  -3.695   3.381  -0.563
  552    HB   ILE  96           HB       ILE  96  -1.492   5.121   0.548
  553   1HG1  ILE  96          2HG1      ILE  96  -1.579   2.115   0.207
  554   2HG1  ILE  96          1HG1      ILE  96  -0.709   3.212  -0.860
  555   1HG2  ILE  96          2HG2      ILE  96  -3.286   4.768   2.151
  556   2HG2  ILE  96          1HG2      ILE  96  -3.205   3.027   1.881
  557   3HG2  ILE  96          3HG2      ILE  96  -1.845   3.867   2.627
  558   1HD1  ILE  96          1HD1      ILE  96  -0.173   2.808   2.075
  559   2HD1  ILE  96          3HD1      ILE  96   0.783   2.164   0.740
  560   3HD1  ILE  96          2HD1      ILE  96   0.702   3.906   1.006
  561    H    ASN  97           H        ASN  97  -3.102   6.699  -1.374
  562    HA   ASN  97           HA       ASN  97  -4.676   7.949   0.591
  563   1HB   ASN  97          2HB       ASN  97  -3.116   9.202  -0.816
  564   2HB   ASN  97          1HB       ASN  97  -4.085   8.838  -2.241
  565   1HD2  ASN  97          1HD2      ASN  97  -6.066   9.863  -2.525
  566   2HD2  ASN  97          2HD2      ASN  97  -6.493  11.289  -1.647
  567    H    LYS  98           H        LYS  98  -5.522   7.108  -2.782
  568    HA   LYS  98           HA       LYS  98  -8.262   7.787  -2.445
  569   1HB   LYS  98          2HB       LYS  98  -6.862   6.142  -4.551
  570   2HB   LYS  98          1HB       LYS  98  -8.572   6.544  -4.612
  571   1HG   LYS  98          2HG       LYS  98  -7.736   8.211  -5.910
  572   2HG   LYS  98          1HG       LYS  98  -7.652   9.000  -4.334
  573   1HD   LYS  98          2HD       LYS  98  -5.569   9.367  -5.446
  574   2HD   LYS  98          1HD       LYS  98  -5.290   8.199  -4.152
  575   1HE   LYS  98          2HE       LYS  98  -4.152   7.540  -6.216
  576   2HE   LYS  98          1HE       LYS  98  -5.389   6.372  -5.759
  577   1HZ   LYS  98          1HZ       LYS  98  -6.879   7.382  -7.378
  578   2HZ   LYS  98          3HZ       LYS  98  -5.678   8.487  -7.825
  579   3HZ   LYS  98          2HZ       LYS  98  -5.461   6.836  -8.121
  580    H    MET  99           H        MET  99  -6.433   4.815  -2.060
  581    HA   MET  99           HA       MET  99  -8.562   2.996  -2.030
  582   1HB   MET  99          2HB       MET  99  -6.058   2.502  -2.047
  583   2HB   MET  99          1HB       MET  99  -6.100   2.751  -0.307
  584   1HG   MET  99          2HG       MET  99  -7.834   0.750  -1.726
  585   2HG   MET  99          1HG       MET  99  -6.239   0.368  -1.082
  586   1HE   MET  99          3HE       MET  99  -7.471  -1.620   0.254
  587   2HE   MET  99          2HE       MET  99  -8.774  -1.353   1.413
  588   3HE   MET  99          1HE       MET  99  -9.059  -1.102  -0.310
  589    H    ARG 100           H        ARG 100  -6.949   4.585   0.728
  590    HA   ARG 100           HA       ARG 100  -8.635   3.603   2.724
  591   1HB   ARG 100          2HB       ARG 100  -6.510   4.674   3.236
  592   2HB   ARG 100          1HB       ARG 100  -7.103   6.209   2.619
  593   1HG   ARG 100          2HG       ARG 100  -7.131   6.216   5.030
  594   2HG   ARG 100          1HG       ARG 100  -8.781   6.267   4.409
  595   1HD   ARG 100          2HD       ARG 100  -9.051   3.899   4.843
  596   2HD   ARG 100          1HD       ARG 100  -7.370   3.776   5.361
  597    HE   ARG 100           HE       ARG 100  -8.445   5.666   7.004
  598   1HH1  ARG 100          1HH1      ARG 100  -9.252   2.371   6.204
  599   2HH1  ARG 100          2HH1      ARG 100  -9.945   2.030   7.754
  600   1HH2  ARG 100          1HH2      ARG 100  -9.354   5.223   9.047
  601   2HH2  ARG 100          2HH2      ARG 100 -10.002   3.649   9.370
  602    H    ASP 101           H        ASP 101  -8.800   6.699   0.972
  603    HA   ASP 101           HA       ASP 101 -11.161   7.607   2.222
  604   1HB   ASP 101          2HB       ASP 101  -9.610   9.097   1.018
  605   2HB   ASP 101          1HB       ASP 101 -10.059   8.329  -0.502
  606    H    SER 102           H        SER 102 -10.598   5.308  -0.253
  607    HA   SER 102           HA       SER 102 -11.960   3.942  -1.448
  608   1HB   SER 102          2HB       SER 102 -14.141   5.021   0.354
  609   2HB   SER 102          1HB       SER 102 -14.271   3.598  -0.679
  610    HG   SER 102           HG       SER 102 -13.297   2.490   0.806
  611    H    LYS 103           H        LYS 103 -13.239   3.975  -3.295
  612    HA   LYS 103           HA       LYS 103 -14.855   6.203  -4.024
  613   1HB   LYS 103          2HB       LYS 103 -12.486   7.085  -4.293
  614   2HB   LYS 103          1HB       LYS 103 -12.295   5.922  -5.596
  615   1HG   LYS 103          2HG       LYS 103 -12.842   7.941  -6.643
  616   2HG   LYS 103          1HG       LYS 103 -14.334   7.000  -6.656
  617   1HD   LYS 103          2HD       LYS 103 -15.131   8.225  -4.699
  618   2HD   LYS 103          1HD       LYS 103 -13.631   9.154  -4.662
  619   1HE   LYS 103          2HE       LYS 103 -14.161   9.986  -6.945
  620   2HE   LYS 103          1HE       LYS 103 -15.716   9.160  -6.840
  621   1HZ   LYS 103          2HZ       LYS 103 -16.234  10.518  -4.885
  622   2HZ   LYS 103          1HZ       LYS 103 -14.768  11.342  -5.063
  623   3HZ   LYS 103          3HZ       LYS 103 -15.960  11.469  -6.256
  624    H    LEU 104           H        LEU 104 -16.374   4.666  -4.562
  625    HA   LEU 104           HA       LEU 104 -15.690   2.833  -6.759
  626   1HB   LEU 104          2HB       LEU 104 -17.942   2.709  -4.751
  627   2HB   LEU 104          1HB       LEU 104 -17.748   1.595  -6.087
  628    HG   LEU 104           HG       LEU 104 -16.942   0.475  -4.171
  629   1HD1  LEU 104          3HD1      LEU 104 -15.528   0.227  -6.156
  630   2HD1  LEU 104          2HD1      LEU 104 -14.529   1.573  -5.605
  631   3HD1  LEU 104          1HD1      LEU 104 -14.601   0.084  -4.662
  632   1HD2  LEU 104          1HD2      LEU 104 -16.717   2.451  -2.729
  633   2HD2  LEU 104          3HD2      LEU 104 -15.314   1.387  -2.630
  634   3HD2  LEU 104          2HD2      LEU 104 -15.225   2.878  -3.568
  635    H    GLU 105           H        GLU 105 -18.736   4.295  -5.638
  636    HA   GLU 105           HA       GLU 105 -19.056   5.726  -8.130
  637   1HB   GLU 105          2HB       GLU 105 -19.867   3.477  -8.709
  638   2HB   GLU 105          1HB       GLU 105 -20.994   3.537  -7.360
  639   1HG   GLU 105          2HG       GLU 105 -22.113   3.999  -9.464
  640   2HG   GLU 105          1HG       GLU 105 -22.161   5.401  -8.396
  641    H    TRP 106           H        TRP 106 -19.063   7.528  -6.741
  642    HA   TRP 106           HA       TRP 106 -21.630   7.931  -5.375
  643   1HB   TRP 106          2HB       TRP 106 -18.916   8.692  -4.273
  644   2HB   TRP 106          1HB       TRP 106 -20.460   9.154  -3.563
  645    HD1  TRP 106           HD1      TRP 106 -22.046   6.534  -3.463
  646    HE1  TRP 106           HE1      TRP 106 -21.274   4.529  -2.045
  647    HE3  TRP 106           HE3      TRP 106 -17.085   7.697  -3.043
  648    HZ2  TRP 106           HZ2      TRP 106 -18.880   3.569  -0.900
  649    HZ3  TRP 106           HZ3      TRP 106 -15.623   6.184  -1.769
  650    HH2  TRP 106           HH2      TRP 106 -16.504   4.162  -0.720
  651    H    LYS 107           H        LYS 107 -20.094   8.795  -7.933
  652    HA   LYS 107           HA       LYS 107 -20.268  11.700  -7.580
  653   1HB   LYS 107          2HB       LYS 107 -19.169  10.106  -9.904
  654   2HB   LYS 107          1HB       LYS 107 -19.096  11.853  -9.725
  655   1HG   LYS 107          2HG       LYS 107 -17.679  11.609  -7.762
  656   2HG   LYS 107          1HG       LYS 107 -17.773   9.854  -7.903
  657   1HD   LYS 107          2HD       LYS 107 -15.708  10.471  -8.870
  658   2HD   LYS 107          1HD       LYS 107 -16.788  10.123 -10.222
  659   1HE   LYS 107          2HE       LYS 107 -16.442  12.914  -9.172
  660   2HE   LYS 107          1HE       LYS 107 -15.316  12.230 -10.342
  661   1HZ   LYS 107          1HZ       LYS 107 -17.227  11.810 -11.813
  662   2HZ   LYS 107          3HZ       LYS 107 -18.240  12.594 -10.707
  663   3HZ   LYS 107          2HZ       LYS 107 -17.010  13.454 -11.484
  664    H    ASP 108           H        ASP 108 -22.324  12.347  -7.811
  665    HA   ASP 108           HA       ASP 108 -23.790  11.429 -10.196
  666   1HB   ASP 108          2HB       ASP 108 -24.874  10.632  -8.168
  667   2HB   ASP 108          1HB       ASP 108 -24.886  12.263  -7.501

  No H/Q in entry =         667
  Start of MODEL    5
    1    H1   GLY  24          2H        GLY  24 -25.447  -8.939  -0.566
    2    H2   GLY  24          1H        GLY  24 -26.606  -9.757   0.355
    3    H3   GLY  24          3H        GLY  24 -25.004  -9.671   0.892
    4   1HA   GLY  24          2HA       GLY  24 -25.980 -11.118  -1.509
    5   2HA   GLY  24          1HA       GLY  24 -25.444 -11.854  -0.006
    6    H    SER  25           H        SER  25 -23.247  -9.953   0.351
    7    HA   SER  25           HA       SER  25 -21.525 -10.424  -1.946
    8   1HB   SER  25          2HB       SER  25 -21.451  -8.220  -0.889
    9   2HB   SER  25          1HB       SER  25 -21.005  -8.954   0.650
   10    HG   SER  25           HG       SER  25 -19.108  -9.761  -0.461
   11    H    HIS  26           H        HIS  26 -19.490 -11.480  -1.794
   12    HA   HIS  26           HA       HIS  26 -19.568 -13.850  -0.190
   13   1HB   HIS  26          2HB       HIS  26 -18.602 -13.525  -2.580
   14   2HB   HIS  26          1HB       HIS  26 -17.162 -12.945  -1.749
   15    HD1  HIS  26           HD1      HIS  26 -15.708 -14.686  -0.553
   16    HD2  HIS  26           HD2      HIS  26 -19.130 -16.283  -2.284
   17    HE1  HIS  26           HE1      HIS  26 -15.394 -17.179  -0.484
   18    HE2  HIS  26           HE2      HIS  26 -17.523 -18.126  -1.442
   19    H    MET  27           H        MET  27 -17.367 -14.519   0.878
   20    HA   MET  27           HA       MET  27 -16.877 -12.561   2.958
   21   1HB   MET  27          2HB       MET  27 -17.263 -15.058   3.338
   22   2HB   MET  27          1HB       MET  27 -15.635 -15.300   2.724
   23   1HG   MET  27          2HG       MET  27 -14.736 -13.925   4.515
   24   2HG   MET  27          1HG       MET  27 -16.364 -13.629   5.119
   25   1HE   MET  27          3HE       MET  27 -13.526 -16.253   4.579
   26   2HE   MET  27          2HE       MET  27 -14.259 -17.736   5.189
   27   3HE   MET  27          1HE       MET  27 -14.856 -17.006   3.699
   28    H    ASN  28           H        ASN  28 -15.832 -12.186   0.186
   29    HA   ASN  28           HA       ASN  28 -13.076 -12.630   0.052
   30   1HB   ASN  28          2HB       ASN  28 -14.791 -10.479  -1.196
   31   2HB   ASN  28          1HB       ASN  28 -13.086 -10.696  -1.577
   32   1HD2  ASN  28          1HD2      ASN  28 -13.530 -11.157  -3.724
   33   2HD2  ASN  28          2HD2      ASN  28 -14.224 -12.660  -4.220
   34    H    ASN  29           H        ASN  29 -11.313 -11.122   0.280
   35    HA   ASN  29           HA       ASN  29 -11.358  -9.774   2.778
   36   1HB   ASN  29          2HB       ASN  29  -9.290  -9.713   0.570
   37   2HB   ASN  29          1HB       ASN  29  -9.047  -9.103   2.203
   38   1HD2  ASN  29          1HD2      ASN  29 -10.588 -11.262   3.416
   39   2HD2  ASN  29          2HD2      ASN  29  -9.580 -12.664   3.347
   40    H    GLU  30           H        GLU  30 -12.225  -7.856   3.161
   41    HA   GLU  30           HA       GLU  30 -12.238  -5.855   0.998
   42   1HB   GLU  30          2HB       GLU  30 -14.486  -6.587   1.660
   43   2HB   GLU  30          1HB       GLU  30 -14.145  -6.145   3.327
   44   1HG   GLU  30          2HG       GLU  30 -13.963  -3.814   2.704
   45   2HG   GLU  30          1HG       GLU  30 -14.202  -4.227   1.008
   46    H    ASP  31           H        ASP  31 -12.357  -5.982   4.564
   47    HA   ASP  31           HA       ASP  31 -11.376  -3.395   4.989
   48   1HB   ASP  31          2HB       ASP  31 -11.201  -5.830   6.777
   49   2HB   ASP  31          1HB       ASP  31 -10.891  -4.175   7.296
   50    H    PHE  32           H        PHE  32  -9.399  -2.523   4.992
   51    HA   PHE  32           HA       PHE  32  -7.161  -4.198   4.194
   52   1HB   PHE  32          2HB       PHE  32  -5.983  -2.083   3.801
   53   2HB   PHE  32          1HB       PHE  32  -7.545  -2.099   2.992
   54    HD1  PHE  32           HD1      PHE  32  -5.519  -0.559   5.584
   55    HD2  PHE  32           HD2      PHE  32  -9.389  -0.721   3.822
   56    HE1  PHE  32           HE1      PHE  32  -6.108   1.558   6.692
   57    HE2  PHE  32           HE2      PHE  32  -9.984   1.396   4.926
   58    HZ   PHE  32           HZ       PHE  32  -8.343   2.538   6.362
   59    H    SER  33           H        SER  33  -8.478  -3.099   7.054
   60    HA   SER  33           HA       SER  33  -6.066  -2.561   8.502
   61   1HB   SER  33          2HB       SER  33  -7.532  -2.578  10.493
   62   2HB   SER  33          1HB       SER  33  -8.187  -1.567   9.204
   63    HG   SER  33           HG       SER  33  -8.972  -4.243   9.285
   64    H    GLN  34           H        GLN  34  -7.625  -5.400   7.484
   65    HA   GLN  34           HA       GLN  34  -6.314  -6.988   9.578
   66   1HB   GLN  34          2HB       GLN  34  -7.774  -8.850   8.793
   67   2HB   GLN  34          1HB       GLN  34  -8.654  -7.473   9.436
   68   1HG   GLN  34          2HG       GLN  34  -9.866  -8.063   7.557
   69   2HG   GLN  34          1HG       GLN  34  -8.874  -6.721   6.996
   70   1HE2  GLN  34          1HE2      GLN  34  -7.641  -9.944   7.555
   71   2HE2  GLN  34          2HE2      GLN  34  -7.337 -10.325   5.898
   72    H    TRP  35           H        TRP  35  -5.515  -5.820   6.704
   73    HA   TRP  35           HA       TRP  35  -4.687  -8.059   5.202
   74   1HB   TRP  35          2HB       TRP  35  -3.891  -5.163   5.232
   75   2HB   TRP  35          1HB       TRP  35  -3.021  -6.314   4.225
   76    HD1  TRP  35           HD1      TRP  35  -6.627  -7.198   4.377
   77    HE1  TRP  35           HE1      TRP  35  -7.817  -6.454   2.219
   78    HE3  TRP  35           HE3      TRP  35  -2.969  -4.211   2.421
   79    HZ2  TRP  35           HZ2      TRP  35  -7.274  -4.819  -0.017
   80    HZ3  TRP  35           HZ3      TRP  35  -3.382  -3.094   0.269
   81    HH2  TRP  35           HH2      TRP  35  -5.492  -3.393  -0.924
   82    H    SER  36           H        SER  36  -2.523  -8.822   4.830
   83    HA   SER  36           HA       SER  36  -0.802  -8.603   7.214
   84   1HB   SER  36          2HB       SER  36  -0.019 -10.896   6.685
   85   2HB   SER  36          1HB       SER  36  -1.752 -10.845   7.003
   86    HG   SER  36           HG       SER  36  -0.635 -11.877   4.926
   87    H    VAL  37           H        VAL  37   1.540  -9.413   6.562
   88    HA   VAL  37           HA       VAL  37   2.653  -7.453   4.922
   89    HB   VAL  37           HB       VAL  37   3.848 -10.118   5.704
   90   1HG1  VAL  37          1HG1      VAL  37   5.178  -7.614   4.669
   91   2HG1  VAL  37          3HG1      VAL  37   6.016  -9.039   5.284
   92   3HG1  VAL  37          2HG1      VAL  37   5.040  -9.154   3.819
   93   1HG2  VAL  37          2HG2      VAL  37   4.051  -7.394   6.983
   94   2HG2  VAL  37          1HG2      VAL  37   3.202  -8.795   7.634
   95   3HG2  VAL  37          3HG2      VAL  37   4.958  -8.824   7.477
   96    H    ASP  38           H        ASP  38   2.045 -10.887   4.219
   97    HA   ASP  38           HA       ASP  38   3.089 -10.891   1.617
   98   1HB   ASP  38          2HB       ASP  38   0.894 -12.615   2.779
   99   2HB   ASP  38          1HB       ASP  38   1.787 -12.959   1.301
  100    H    ASP  39           H        ASP  39  -0.164 -10.177   2.807
  101    HA   ASP  39           HA       ASP  39  -1.394 -10.027   0.260
  102   1HB   ASP  39          2HB       ASP  39  -2.625 -10.319   2.405
  103   2HB   ASP  39          1HB       ASP  39  -2.245  -8.648   2.813
  104    H    VAL  40           H        VAL  40  -0.302  -7.447   2.473
  105    HA   VAL  40           HA       VAL  40  -0.900  -5.271   0.865
  106    HB   VAL  40           HB       VAL  40   1.415  -5.550   2.787
  107   1HG1  VAL  40          2HG1      VAL  40   0.123  -3.078   1.637
  108   2HG1  VAL  40          1HG1      VAL  40   1.346  -3.097   2.908
  109   3HG1  VAL  40          3HG1      VAL  40   1.748  -3.666   1.289
  110   1HG2  VAL  40          2HG2      VAL  40  -0.830  -5.980   3.755
  111   2HG2  VAL  40          1HG2      VAL  40  -0.039  -4.556   4.430
  112   3HG2  VAL  40          3HG2      VAL  40  -1.323  -4.369   3.238
  113    H    ILE  41           H        ILE  41   2.107  -7.165   0.983
  114    HA   ILE  41           HA       ILE  41   3.619  -5.663  -0.800
  115    HB   ILE  41           HB       ILE  41   3.650  -8.629  -0.256
  116   1HG1  ILE  41          2HG1      ILE  41   5.546  -6.437   0.608
  117   2HG1  ILE  41          1HG1      ILE  41   4.230  -7.052   1.602
  118   1HG2  ILE  41          1HG2      ILE  41   5.632  -6.990  -1.830
  119   2HG2  ILE  41          3HG2      ILE  41   5.863  -8.663  -1.322
  120   3HG2  ILE  41          2HG2      ILE  41   4.582  -8.259  -2.463
  121   1HD1  ILE  41          1HD1      ILE  41   5.269  -9.290   1.514
  122   2HD1  ILE  41          3HD1      ILE  41   6.622  -8.590   0.625
  123   3HD1  ILE  41          2HD1      ILE  41   6.290  -8.072   2.279
  124    H    THR  42           H        THR  42   1.795  -8.633  -1.570
  125    HA   THR  42           HA       THR  42   2.161  -8.667  -4.294
  126    HB   THR  42           HB       THR  42  -0.370  -9.475  -2.848
  127    HG1  THR  42           HG1      THR  42   1.871 -11.091  -3.537
  128   1HG2  THR  42          3HG2      THR  42   0.770 -10.368  -5.500
  129   2HG2  THR  42          2HG2      THR  42  -0.659 -11.042  -4.717
  130   3HG2  THR  42          1HG2      THR  42  -0.665  -9.368  -5.272
  131    H    TRP  43           H        TRP  43  -0.748  -7.330  -2.692
  132    HA   TRP  43           HA       TRP  43  -1.910  -6.236  -4.962
  133   1HB   TRP  43          2HB       TRP  43  -3.104  -6.461  -2.840
  134   2HB   TRP  43          1HB       TRP  43  -2.077  -5.228  -2.115
  135    HD1  TRP  43           HD1      TRP  43  -4.959  -5.637  -4.605
  136    HE1  TRP  43           HE1      TRP  43  -6.056  -3.339  -4.979
  137    HE3  TRP  43           HE3      TRP  43  -1.644  -2.723  -2.024
  138    HZ2  TRP  43           HZ2      TRP  43  -5.578  -0.648  -4.275
  139    HZ3  TRP  43           HZ3      TRP  43  -2.037  -0.296  -1.922
  140    HH2  TRP  43           HH2      TRP  43  -3.965   0.718  -3.025
  141    H    CYS  44           H        CYS  44   0.102  -4.552  -2.553
  142    HA   CYS  44           HA       CYS  44   0.166  -2.036  -3.619
  143   1HB   CYS  44          2HB       CYS  44   1.212  -2.563  -1.497
  144   2HB   CYS  44          1HB       CYS  44   2.427  -3.550  -2.303
  145    HG   CYS  44           HG       CYS  44   2.933  -0.880  -3.804
  146    H    ILE  45           H        ILE  45   2.772  -4.394  -4.200
  147    HA   ILE  45           HA       ILE  45   4.103  -3.038  -6.197
  148    HB   ILE  45           HB       ILE  45   3.780  -6.036  -6.003
  149   1HG1  ILE  45          2HG1      ILE  45   5.897  -4.253  -4.780
  150   2HG1  ILE  45          1HG1      ILE  45   4.541  -4.938  -3.893
  151   1HG2  ILE  45          1HG2      ILE  45   5.912  -4.336  -7.294
  152   2HG2  ILE  45          3HG2      ILE  45   5.973  -6.091  -7.123
  153   3HG2  ILE  45          2HG2      ILE  45   4.727  -5.346  -8.124
  154   1HD1  ILE  45          2HD1      ILE  45   5.362  -7.184  -4.386
  155   2HD1  ILE  45          1HD1      ILE  45   6.727  -6.488  -5.260
  156   3HD1  ILE  45          3HD1      ILE  45   6.562  -6.219  -3.526
  157    H    SER  46           H        SER  46   1.621  -5.556  -6.660
  158    HA   SER  46           HA       SER  46   1.556  -5.506  -9.439
  159   1HB   SER  46          2HB       SER  46  -0.690  -6.125  -7.510
  160   2HB   SER  46          1HB       SER  46  -0.685  -6.532  -9.226
  161    HG   SER  46           HG       SER  46   1.430  -7.372  -7.574
  162    H    THR  47           H        THR  47   0.559  -3.056  -7.310
  163    HA   THR  47           HA       THR  47  -0.964  -1.790  -9.492
  164    HB   THR  47           HB       THR  47  -2.443  -0.732  -7.863
  165    HG1  THR  47           HG1      THR  47  -0.719  -2.015  -6.057
  166   1HG2  THR  47          3HG2      THR  47  -2.303  -3.730  -7.519
  167   2HG2  THR  47          2HG2      THR  47  -3.699  -2.717  -7.146
  168   3HG2  THR  47          1HG2      THR  47  -3.140  -2.871  -8.813
  169    H    LEU  48           H        LEU  48   1.829  -1.572  -7.806
  170    HA   LEU  48           HA       LEU  48   1.726   1.321  -7.417
  171   1HB   LEU  48          2HB       LEU  48   2.772  -0.353  -5.766
  172   2HB   LEU  48          1HB       LEU  48   4.115  -0.416  -6.892
  173    HG   LEU  48           HG       LEU  48   3.212   2.255  -5.914
  174   1HD1  LEU  48          3HD1      LEU  48   4.880   0.317  -4.320
  175   2HD1  LEU  48          2HD1      LEU  48   4.713   2.037  -3.970
  176   3HD1  LEU  48          1HD1      LEU  48   3.308   0.975  -3.869
  177   1HD2  LEU  48          2HD2      LEU  48   4.971   1.964  -7.648
  178   2HD2  LEU  48          1HD2      LEU  48   5.521   2.815  -6.204
  179   3HD2  LEU  48          3HD2      LEU  48   5.951   1.122  -6.446
  180    H    GLU  49           H        GLU  49   4.240  -0.814  -8.817
  181    HA   GLU  49           HA       GLU  49   4.318   0.937 -11.154
  182   1HB   GLU  49          2HB       GLU  49   6.551   0.549  -9.209
  183   2HB   GLU  49          1HB       GLU  49   6.926   0.790 -10.909
  184   1HG   GLU  49          2HG       GLU  49   5.304   2.661  -9.197
  185   2HG   GLU  49          1HG       GLU  49   6.997   2.877  -9.638
  186    H    VAL  50           H        VAL  50   6.213  -1.752  -9.766
  187    HA   VAL  50           HA       VAL  50   6.090  -3.062 -12.400
  188    HB   VAL  50           HB       VAL  50   8.092  -4.273 -11.795
  189   1HG1  VAL  50          3HG1      VAL  50   8.337  -2.021 -12.751
  190   2HG1  VAL  50          2HG1      VAL  50   8.408  -1.350 -11.121
  191   3HG1  VAL  50          1HG1      VAL  50   9.676  -2.439 -11.682
  192   1HG2  VAL  50          2HG2      VAL  50   7.659  -4.573  -9.416
  193   2HG2  VAL  50          1HG2      VAL  50   9.255  -3.867  -9.673
  194   3HG2  VAL  50          3HG2      VAL  50   7.918  -2.850  -9.138
  195    H    GLU  51           H        GLU  51   6.814  -5.601 -11.719
  196    HA   GLU  51           HA       GLU  51   4.408  -6.571 -10.353
  197   1HB   GLU  51          2HB       GLU  51   4.958  -8.736 -11.437
  198   2HB   GLU  51          1HB       GLU  51   4.730  -7.432 -12.594
  199   1HG   GLU  51          2HG       GLU  51   7.101  -7.207 -12.893
  200   2HG   GLU  51          1HG       GLU  51   7.412  -8.386 -11.618
  201    H    GLU  52           H        GLU  52   5.009  -8.978  -9.413
  202    HA   GLU  52           HA       GLU  52   6.701  -8.388  -7.168
  203   1HB   GLU  52          2HB       GLU  52   4.621  -9.725  -6.958
  204   2HB   GLU  52          1HB       GLU  52   5.370 -11.000  -7.910
  205   1HG   GLU  52          2HG       GLU  52   7.058 -11.323  -6.201
  206   2HG   GLU  52          1HG       GLU  52   6.381  -9.997  -5.257
  207    H    THR  53           H        THR  53   8.615  -8.022  -8.507
  208    HA   THR  53           HA       THR  53  10.201 -10.470  -8.693
  209    HB   THR  53           HB       THR  53  11.228  -9.723 -10.821
  210    HG1  THR  53           HG1      THR  53  10.845  -7.653 -11.186
  211   1HG2  THR  53          3HG2      THR  53   9.433 -11.381 -10.878
  212   2HG2  THR  53          2HG2      THR  53   8.233 -10.092 -10.962
  213   3HG2  THR  53          1HG2      THR  53   9.363 -10.332 -12.294
  214    H    ASP  54           H        ASP  54  10.082  -6.962  -8.818
  215    HA   ASP  54           HA       ASP  54  12.809  -6.453  -8.351
  216   1HB   ASP  54          2HB       ASP  54  11.299  -4.770  -9.265
  217   2HB   ASP  54          1HB       ASP  54  10.358  -4.772  -7.778
  218    HA   PRO  55           HA       PRO  55  13.443  -7.403  -4.071
  219   1HB   PRO  55          2HB       PRO  55  14.914  -4.816  -3.957
  220   2HB   PRO  55          1HB       PRO  55  15.442  -6.435  -3.485
  221   1HG   PRO  55          2HG       PRO  55  16.327  -5.340  -5.735
  222   2HG   PRO  55          1HG       PRO  55  15.907  -7.062  -5.674
  223   1HD   PRO  55          2HD       PRO  55  14.371  -4.775  -6.836
  224   2HD   PRO  55          1HD       PRO  55  14.560  -6.432  -7.445
  225    H    LEU  56           H        LEU  56  11.620  -4.796  -5.110
  226    HA   LEU  56           HA       LEU  56  11.224  -3.182  -2.908
  227   1HB   LEU  56          2HB       LEU  56  10.231  -2.818  -5.138
  228   2HB   LEU  56          1HB       LEU  56   9.133  -4.154  -4.859
  229    HG   LEU  56           HG       LEU  56   8.202  -2.855  -2.904
  230   1HD1  LEU  56          1HD1      LEU  56   9.920  -0.697  -4.113
  231   2HD1  LEU  56          3HD1      LEU  56   8.587  -0.392  -3.001
  232   3HD1  LEU  56          2HD1      LEU  56   9.986  -1.324  -2.466
  233   1HD2  LEU  56          3HD2      LEU  56   7.127  -2.989  -5.132
  234   2HD2  LEU  56          2HD2      LEU  56   6.794  -1.477  -4.289
  235   3HD2  LEU  56          1HD2      LEU  56   7.978  -1.517  -5.595
  236    H    CYS  57           H        CYS  57  10.094  -6.430  -3.500
  237    HA   CYS  57           HA       CYS  57   8.181  -6.511  -1.385
  238   1HB   CYS  57          2HB       CYS  57   7.864  -8.076  -3.132
  239   2HB   CYS  57          1HB       CYS  57   9.533  -8.628  -3.049
  240    HG   CYS  57           HG       CYS  57   9.250 -10.388  -1.141
  241    H    GLN  58           H        GLN  58  11.585  -7.343  -1.694
  242    HA   GLN  58           HA       GLN  58  11.885  -8.692   0.755
  243   1HB   GLN  58          2HB       GLN  58  13.716  -7.362  -1.178
  244   2HB   GLN  58          1HB       GLN  58  14.340  -7.702   0.430
  245   1HG   GLN  58          2HG       GLN  58  13.105  -9.750  -1.397
  246   2HG   GLN  58          1HG       GLN  58  14.836  -9.468  -1.219
  247   1HE2  GLN  58          1HE2      GLN  58  15.848 -10.012   0.737
  248   2HE2  GLN  58          2HE2      GLN  58  15.130 -11.122   1.849
  249    H    ARG  59           H        ARG  59  11.759  -5.304  -0.048
  250    HA   ARG  59           HA       ARG  59  12.831  -4.408   2.460
  251   1HB   ARG  59          2HB       ARG  59  12.936  -3.103   0.310
  252   2HB   ARG  59          1HB       ARG  59  11.208  -2.818   0.470
  253   1HG   ARG  59          2HG       ARG  59  12.413  -0.901   1.265
  254   2HG   ARG  59          1HG       ARG  59  11.624  -1.697   2.628
  255   1HD   ARG  59          2HD       ARG  59  13.752  -2.803   3.183
  256   2HD   ARG  59          1HD       ARG  59  14.527  -1.953   1.847
  257    HE   ARG  59           HE       ARG  59  13.491   0.059   3.312
  258   1HH1  ARG  59          1HH1      ARG  59  15.470  -2.688   4.135
  259   2HH1  ARG  59          2HH1      ARG  59  16.272  -1.883   5.442
  260   1HH2  ARG  59          1HH2      ARG  59  14.541   1.128   5.031
  261   2HH2  ARG  59          2HH2      ARG  59  15.743   0.287   5.953
  262    H    LEU  60           H        LEU  60   9.578  -4.589   1.024
  263    HA   LEU  60           HA       LEU  60   8.209  -3.528   3.252
  264   1HB   LEU  60          2HB       LEU  60   7.318  -5.335   1.012
  265   2HB   LEU  60          1HB       LEU  60   6.219  -4.746   2.244
  266    HG   LEU  60           HG       LEU  60   7.821  -2.922   0.454
  267   1HD1  LEU  60          3HD1      LEU  60   6.331  -4.288  -0.906
  268   2HD1  LEU  60          2HD1      LEU  60   4.976  -3.869   0.140
  269   3HD1  LEU  60          1HD1      LEU  60   5.761  -2.621  -0.827
  270   1HD2  LEU  60          1HD2      LEU  60   7.041  -1.961   2.580
  271   2HD2  LEU  60          3HD2      LEU  60   6.237  -1.235   1.189
  272   3HD2  LEU  60          2HD2      LEU  60   5.391  -2.428   2.173
  273    H    ARG  61           H        ARG  61   9.266  -6.770   2.440
  274    HA   ARG  61           HA       ARG  61   7.773  -8.118   4.452
  275   1HB   ARG  61          2HB       ARG  61   8.999  -9.023   2.309
  276   2HB   ARG  61          1HB       ARG  61  10.371  -9.174   3.396
  277   1HG   ARG  61          2HG       ARG  61   7.685 -10.401   3.960
  278   2HG   ARG  61          1HG       ARG  61   8.973 -11.238   3.093
  279   1HD   ARG  61          2HD       ARG  61  10.450 -10.919   5.044
  280   2HD   ARG  61          1HD       ARG  61   9.113 -10.160   5.906
  281    HE   ARG  61           HE       ARG  61   8.283 -12.681   5.014
  282   1HH1  ARG  61          1HH1      ARG  61  10.500 -11.261   7.296
  283   2HH1  ARG  61          2HH1      ARG  61  10.435 -12.604   8.390
  284   1HH2  ARG  61          1HH2      ARG  61   8.189 -14.451   6.447
  285   2HH2  ARG  61          2HH2      ARG  61   9.118 -14.415   7.909
  286    H    GLU  62           H        GLU  62  11.126  -6.964   4.259
  287    HA   GLU  62           HA       GLU  62  12.091  -7.884   6.675
  288   1HB   GLU  62          2HB       GLU  62  13.462  -6.751   4.961
  289   2HB   GLU  62          1HB       GLU  62  12.697  -5.222   5.371
  290   1HG   GLU  62          2HG       GLU  62  14.874  -5.367   6.393
  291   2HG   GLU  62          1HG       GLU  62  13.621  -5.374   7.634
  292    H    ASN  63           H        ASN  63  10.433  -4.805   6.030
  293    HA   ASN  63           HA       ASN  63  10.175  -4.356   8.908
  294   1HB   ASN  63          2HB       ASN  63   9.414  -2.535   6.613
  295   2HB   ASN  63          1HB       ASN  63   9.457  -2.104   8.321
  296   1HD2  ASN  63          1HD2      ASN  63  10.885  -0.951   6.054
  297   2HD2  ASN  63          2HD2      ASN  63  12.565  -1.069   6.440
  298    H    ASP  64           H        ASP  64   8.615  -5.916   9.403
  299    HA   ASP  64           HA       ASP  64   6.219  -6.357   8.057
  300   1HB   ASP  64          2HB       ASP  64   6.760  -6.611  11.025
  301   2HB   ASP  64          1HB       ASP  64   5.405  -7.338  10.167
  302    H    ILE  65           H        ILE  65   5.002  -4.659   7.454
  303    HA   ILE  65           HA       ILE  65   3.957  -2.924   9.594
  304    HB   ILE  65           HB       ILE  65   4.590  -2.125   6.750
  305   1HG1  ILE  65          2HG1      ILE  65   6.571  -2.259   8.191
  306   2HG1  ILE  65          1HG1      ILE  65   6.207  -0.590   7.778
  307   1HG2  ILE  65          2HG2      ILE  65   3.310  -0.549   8.977
  308   2HG2  ILE  65          1HG2      ILE  65   3.883   0.138   7.456
  309   3HG2  ILE  65          3HG2      ILE  65   2.563  -1.033   7.454
  310   1HD1  ILE  65          2HD1      ILE  65   5.532  -1.937  10.383
  311   2HD1  ILE  65          1HD1      ILE  65   6.872  -0.825  10.108
  312   3HD1  ILE  65          3HD1      ILE  65   5.209  -0.254   9.969
  313    H    VAL  66           H        VAL  66   1.906  -3.500   9.925
  314    HA   VAL  66           HA       VAL  66   0.292  -4.849   8.038
  315    HB   VAL  66           HB       VAL  66  -1.591  -4.356   9.603
  316   1HG1  VAL  66          3HG1      VAL  66  -0.223  -6.346   9.886
  317   2HG1  VAL  66          2HG1      VAL  66   0.925  -5.433  10.866
  318   3HG1  VAL  66          1HG1      VAL  66  -0.717  -5.700  11.450
  319   1HG2  VAL  66          3HG2      VAL  66   0.547  -2.910  11.163
  320   2HG2  VAL  66          2HG2      VAL  66  -0.859  -2.176  10.393
  321   3HG2  VAL  66          1HG2      VAL  66  -1.075  -3.283  11.748
  322    H    GLY  67           H        GLY  67  -1.970  -3.982   7.489
  323   1HA   GLY  67          1HA       GLY  67  -3.117  -2.575   6.071
  324   2HA   GLY  67          2HA       GLY  67  -1.623  -1.678   5.841
  325    H    ASP  68           H        ASP  68  -2.489  -2.066   9.099
  326    HA   ASP  68           HA       ASP  68  -4.228   0.212   9.295
  327   1HB   ASP  68          2HB       ASP  68  -4.346  -1.687  10.880
  328   2HB   ASP  68          1HB       ASP  68  -2.744  -1.266  11.478
  329    H    LEU  69           H        LEU  69  -0.878  -0.197   9.041
  330    HA   LEU  69           HA       LEU  69  -0.322   2.370  10.353
  331   1HB   LEU  69          2HB       LEU  69   1.624   0.305   9.333
  332   2HB   LEU  69          1HB       LEU  69   2.020   1.731  10.271
  333    HG   LEU  69           HG       LEU  69   0.352  -0.577  11.273
  334   1HD1  LEU  69          2HD1      LEU  69   2.689  -1.212  10.881
  335   2HD1  LEU  69          1HD1      LEU  69   3.216   0.141  11.880
  336   3HD1  LEU  69          3HD1      LEU  69   2.293  -1.178  12.599
  337   1HD2  LEU  69          2HD2      LEU  69   1.491   1.836  12.680
  338   2HD2  LEU  69          1HD2      LEU  69  -0.214   1.522  12.353
  339   3HD2  LEU  69          3HD2      LEU  69   0.677   0.482  13.466
  340    H    LEU  70           H        LEU  70  -0.743   0.965   7.287
  341    HA   LEU  70           HA       LEU  70   1.013   2.347   5.665
  342   1HB   LEU  70          2HB       LEU  70  -1.830   1.495   5.139
  343   2HB   LEU  70          1HB       LEU  70  -0.781   2.153   3.899
  344    HG   LEU  70           HG       LEU  70  -0.248  -0.379   5.459
  345   1HD1  LEU  70          3HD1      LEU  70  -1.170   0.022   2.616
  346   2HD1  LEU  70          2HD1      LEU  70  -0.726  -1.520   3.348
  347   3HD1  LEU  70          1HD1      LEU  70  -2.131  -0.635   3.940
  348   1HD2  LEU  70          1HD2      LEU  70   1.206   0.860   3.126
  349   2HD2  LEU  70          3HD2      LEU  70   1.806   0.727   4.779
  350   3HD2  LEU  70          2HD2      LEU  70   1.541  -0.727   3.818
  351    HA   PRO  71           HA       PRO  71  -1.909   6.097   5.460
  352   1HB   PRO  71          2HB       PRO  71  -4.185   6.208   6.840
  353   2HB   PRO  71          1HB       PRO  71  -4.075   5.259   5.352
  354   1HG   PRO  71          2HG       PRO  71  -3.985   4.340   8.197
  355   2HG   PRO  71          1HG       PRO  71  -4.811   3.608   6.808
  356   1HD   PRO  71          2HD       PRO  71  -2.353   2.799   7.802
  357   2HD   PRO  71          1HD       PRO  71  -2.944   2.473   6.161
  358    H    GLU  72           H        GLU  72  -1.262   4.623   8.509
  359    HA   GLU  72           HA       GLU  72  -1.521   7.008  10.090
  360   1HB   GLU  72          2HB       GLU  72  -1.850   4.754  11.045
  361   2HB   GLU  72          1HB       GLU  72  -0.156   4.390  10.747
  362   1HG   GLU  72          2HG       GLU  72   0.527   6.095  12.310
  363   2HG   GLU  72          1HG       GLU  72  -1.149   6.590  12.546
  364    H    LEU  73           H        LEU  73   0.936   5.605   8.128
  365    HA   LEU  73           HA       LEU  73   3.048   7.168   9.398
  366   1HB   LEU  73          2HB       LEU  73   3.133   5.211   7.103
  367   2HB   LEU  73          1HB       LEU  73   4.533   6.043   7.752
  368    HG   LEU  73           HG       LEU  73   2.802   4.088   9.270
  369   1HD1  LEU  73          2HD1      LEU  73   5.573   3.807   8.121
  370   2HD1  LEU  73          1HD1      LEU  73   4.774   2.632   9.164
  371   3HD1  LEU  73          3HD1      LEU  73   4.119   2.981   7.564
  372   1HD2  LEU  73          2HD2      LEU  73   5.334   5.527  10.054
  373   2HD2  LEU  73          1HD2      LEU  73   3.729   5.764  10.748
  374   3HD2  LEU  73          3HD2      LEU  73   4.571   4.231  10.977
  375    H    CYS  74           H        CYS  74   4.461   8.522   8.089
  376    HA   CYS  74           HA       CYS  74   2.926   9.991   6.058
  377   1HB   CYS  74          2HB       CYS  74   3.753  11.167   8.159
  378   2HB   CYS  74          1HB       CYS  74   5.383  10.959   7.528
  379    HG   CYS  74           HG       CYS  74   4.256  13.613   7.167
  380    H    LEU  75           H        LEU  75   4.631  11.247   4.544
  381    HA   LEU  75           HA       LEU  75   5.706   9.325   2.824
  382   1HB   LEU  75          2HB       LEU  75   6.226  12.283   3.071
  383   2HB   LEU  75          1HB       LEU  75   6.957  11.301   1.817
  384    HG   LEU  75           HG       LEU  75   5.043  12.458   0.920
  385   1HD1  LEU  75          1HD1      LEU  75   5.482  10.217   0.073
  386   2HD1  LEU  75          3HD1      LEU  75   4.432   9.534   1.314
  387   3HD1  LEU  75          2HD1      LEU  75   3.756  10.576   0.062
  388   1HD2  LEU  75          2HD2      LEU  75   3.823  12.800   3.017
  389   2HD2  LEU  75          1HD2      LEU  75   2.791  12.114   1.761
  390   3HD2  LEU  75          3HD2      LEU  75   3.412  11.085   3.052
  391    H    GLN  76           H        GLN  76   6.964  10.630   5.708
  392    HA   GLN  76           HA       GLN  76   9.728  10.492   5.220
  393   1HB   GLN  76          2HB       GLN  76   8.482  11.509   7.226
  394   2HB   GLN  76          1HB       GLN  76   8.446   9.879   7.879
  395   1HG   GLN  76          2HG       GLN  76  10.980  11.289   7.087
  396   2HG   GLN  76          1HG       GLN  76  10.297  11.349   8.711
  397   1HE2  GLN  76          1HE2      GLN  76  12.846  10.271   7.766
  398   2HE2  GLN  76          2HE2      GLN  76  12.876   8.616   8.263
  399    H    ASP  77           H        ASP  77   7.683   8.145   6.968
  400    HA   ASP  77           HA       ASP  77   9.634   6.098   6.960
  401   1HB   ASP  77          2HB       ASP  77   6.631   5.912   7.294
  402   2HB   ASP  77          1HB       ASP  77   7.772   4.619   7.654
  403    H    CYS  78           H        CYS  78   7.157   7.057   4.705
  404    HA   CYS  78           HA       CYS  78   7.121   4.665   3.172
  405   1HB   CYS  78          2HB       CYS  78   6.352   7.493   2.422
  406   2HB   CYS  78          1HB       CYS  78   6.013   6.069   1.444
  407    HG   CYS  78           HG       CYS  78   4.809   5.297   4.297
  408    H    GLN  79           H        GLN  79   9.105   7.537   3.174
  409    HA   GLN  79           HA       GLN  79  10.324   7.082   0.635
  410   1HB   GLN  79          2HB       GLN  79  10.258   9.305   1.730
  411   2HB   GLN  79          1HB       GLN  79  11.340   8.702   2.978
  412   1HG   GLN  79          2HG       GLN  79  13.077   8.334   1.310
  413   2HG   GLN  79          1HG       GLN  79  11.991   8.911   0.045
  414   1HE2  GLN  79          1HE2      GLN  79  13.378  10.583  -0.521
  415   2HE2  GLN  79          2HE2      GLN  79  13.586  11.984   0.469
  416    H    ASP  80           H        ASP  80  11.117   6.264   3.974
  417    HA   ASP  80           HA       ASP  80  13.681   5.222   3.493
  418   1HB   ASP  80          2HB       ASP  80  11.638   4.828   5.667
  419   2HB   ASP  80          1HB       ASP  80  13.181   3.999   5.686
  420    H    LEU  81           H        LEU  81  10.561   4.061   2.766
  421    HA   LEU  81           HA       LEU  81  11.127   1.263   2.834
  422   1HB   LEU  81          2HB       LEU  81   8.887   2.981   2.265
  423   2HB   LEU  81          1HB       LEU  81   9.038   1.766   1.014
  424    HG   LEU  81           HG       LEU  81   7.534   0.904   2.629
  425   1HD1  LEU  81          1HD1      LEU  81   9.159  -0.713   1.778
  426   2HD1  LEU  81          3HD1      LEU  81  10.226  -0.353   3.136
  427   3HD1  LEU  81          2HD1      LEU  81   8.654  -1.100   3.422
  428   1HD2  LEU  81          2HD2      LEU  81   9.604   1.634   4.693
  429   2HD2  LEU  81          1HD2      LEU  81   8.012   2.363   4.476
  430   3HD2  LEU  81          3HD2      LEU  81   8.149   0.690   5.017
  431    H    CYS  82           H        CYS  82  11.973   3.781   0.757
  432    HA   CYS  82           HA       CYS  82  12.496   1.912  -1.458
  433   1HB   CYS  82          2HB       CYS  82  10.987   3.836  -1.975
  434   2HB   CYS  82          1HB       CYS  82  12.311   4.928  -1.585
  435    HG   CYS  82           HG       CYS  82  13.967   3.847  -3.656
  436    H    ASP  83           H        ASP  83  14.470   2.496  -2.762
  437    HA   ASP  83           HA       ASP  83  16.764   2.345  -1.194
  438   1HB   ASP  83          2HB       ASP  83  16.506   3.267  -4.064
  439   2HB   ASP  83          1HB       ASP  83  18.010   2.781  -3.285
  440    H    GLY  84           H        GLY  84  14.975   5.107  -2.281
  441   1HA   GLY  84          1HA       GLY  84  17.127   6.977  -1.744
  442   2HA   GLY  84          2HA       GLY  84  15.849   6.956  -0.539
  443    H    ASP  85           H        ASP  85  14.781   6.218  -3.684
  444    HA   ASP  85           HA       ASP  85  14.397   8.873  -4.646
  445   1HB   ASP  85          2HB       ASP  85  14.512   6.874  -6.121
  446   2HB   ASP  85          1HB       ASP  85  12.965   6.338  -5.475
  447    H    LEU  86           H        LEU  86  13.019  10.304  -3.857
  448    HA   LEU  86           HA       LEU  86  10.959   9.626  -2.021
  449   1HB   LEU  86          2HB       LEU  86  12.155  11.767  -1.949
  450   2HB   LEU  86          1HB       LEU  86  11.461  12.210  -3.497
  451    HG   LEU  86           HG       LEU  86   9.199  12.128  -2.448
  452   1HD1  LEU  86          1HD1      LEU  86  10.778  11.826   0.102
  453   2HD1  LEU  86          3HD1      LEU  86   9.047  12.145  -0.008
  454   3HD1  LEU  86          2HD1      LEU  86   9.702  10.620  -0.605
  455   1HD2  LEU  86          1HD2      LEU  86  11.189  14.008  -1.187
  456   2HD2  LEU  86          3HD2      LEU  86  10.373  14.238  -2.733
  457   3HD2  LEU  86          2HD2      LEU  86   9.442  14.239  -1.235
  458    H    ASN  87           H        ASN  87  10.990  10.502  -5.442
  459    HA   ASN  87           HA       ASN  87   8.317  10.893  -5.950
  460   1HB   ASN  87          2HB       ASN  87  10.298  11.009  -7.565
  461   2HB   ASN  87          1HB       ASN  87  10.084   9.277  -7.781
  462   1HD2  ASN  87          1HD2      ASN  87   8.712  12.422  -8.319
  463   2HD2  ASN  87          2HD2      ASN  87   7.526  11.930  -9.475
  464    H    LYS  88           H        LYS  88  10.060   7.811  -5.970
  465    HA   LYS  88           HA       LYS  88   7.941   6.131  -6.609
  466   1HB   LYS  88          2HB       LYS  88  10.290   5.436  -6.608
  467   2HB   LYS  88          1HB       LYS  88  10.345   5.589  -4.859
  468   1HG   LYS  88          2HG       LYS  88  10.153   3.275  -5.426
  469   2HG   LYS  88          1HG       LYS  88   8.630   3.800  -4.705
  470   1HD   LYS  88          2HD       LYS  88   7.496   3.712  -6.721
  471   2HD   LYS  88          1HD       LYS  88   8.973   3.870  -7.674
  472   1HE   LYS  88          2HE       LYS  88   7.917   1.596  -7.722
  473   2HE   LYS  88          1HE       LYS  88   9.607   1.625  -7.220
  474   1HZ   LYS  88          1HZ       LYS  88   7.274   1.480  -5.385
  475   2HZ   LYS  88          3HZ       LYS  88   8.262   0.175  -5.818
  476   3HZ   LYS  88          2HZ       LYS  88   8.901   1.460  -4.924
  477    H    ALA  89           H        ALA  89   8.997   7.393  -3.485
  478    HA   ALA  89           HA       ALA  89   7.234   5.855  -1.893
  479   1HB   ALA  89          1HB       ALA  89   7.771   7.383  -0.105
  480   2HB   ALA  89          2HB       ALA  89   8.418   8.554  -1.253
  481   3HB   ALA  89          3HB       ALA  89   9.236   7.010  -1.014
  482    H    ILE  90           H        ILE  90   6.910   8.892  -3.607
  483    HA   ILE  90           HA       ILE  90   4.560   9.833  -2.393
  484    HB   ILE  90           HB       ILE  90   5.539  10.244  -5.222
  485   1HG1  ILE  90          2HG1      ILE  90   5.747  12.053  -2.806
  486   2HG1  ILE  90          1HG1      ILE  90   7.047  11.014  -3.378
  487   1HG2  ILE  90          2HG2      ILE  90   3.415  11.725  -3.676
  488   2HG2  ILE  90          1HG2      ILE  90   4.061  12.214  -5.241
  489   3HG2  ILE  90          3HG2      ILE  90   3.162  10.705  -5.091
  490   1HD1  ILE  90          1HD1      ILE  90   7.082  12.235  -5.494
  491   2HD1  ILE  90          3HD1      ILE  90   5.789  13.281  -4.906
  492   3HD1  ILE  90          2HD1      ILE  90   7.366  13.299  -4.117
  493    H    LYS  91           H        LYS  91   5.025   7.839  -5.306
  494    HA   LYS  91           HA       LYS  91   2.332   7.538  -5.990
  495   1HB   LYS  91          2HB       LYS  91   4.464   5.429  -6.362
  496   2HB   LYS  91          1HB       LYS  91   3.018   5.670  -7.331
  497   1HG   LYS  91          2HG       LYS  91   5.296   7.630  -7.150
  498   2HG   LYS  91          1HG       LYS  91   5.096   6.433  -8.430
  499   1HD   LYS  91          2HD       LYS  91   2.951   7.452  -9.040
  500   2HD   LYS  91          1HD       LYS  91   3.158   8.650  -7.762
  501   1HE   LYS  91          2HE       LYS  91   5.172   9.483  -8.854
  502   2HE   LYS  91          1HE       LYS  91   5.008   8.262 -10.113
  503   1HZ   LYS  91          1HZ       LYS  91   2.912   9.270 -10.767
  504   2HZ   LYS  91          3HZ       LYS  91   3.068  10.441  -9.556
  505   3HZ   LYS  91          2HZ       LYS  91   4.166  10.403 -10.841
  506    H    PHE  92           H        PHE  92   4.397   5.666  -3.828
  507    HA   PHE  92           HA       PHE  92   2.672   3.572  -3.212
  508   1HB   PHE  92          2HB       PHE  92   5.018   3.591  -2.562
  509   2HB   PHE  92          1HB       PHE  92   4.740   4.954  -1.488
  510    HD1  PHE  92           HD1      PHE  92   5.086   4.280   0.668
  511    HD2  PHE  92           HD2      PHE  92   2.925   1.721  -1.960
  512    HE1  PHE  92           HE1      PHE  92   4.679   2.720   2.528
  513    HE2  PHE  92           HE2      PHE  92   2.509   0.160  -0.104
  514    HZ   PHE  92           HZ       PHE  92   3.387   0.657   2.143
  515    H    LYS  93           H        LYS  93   3.217   6.501  -1.245
  516    HA   LYS  93           HA       LYS  93   1.155   6.096   0.574
  517   1HB   LYS  93          2HB       LYS  93   2.899   7.737   0.956
  518   2HB   LYS  93          1HB       LYS  93   2.356   8.683  -0.422
  519   1HG   LYS  93          2HG       LYS  93   1.619   9.729   1.610
  520   2HG   LYS  93          1HG       LYS  93   0.220   9.099   0.739
  521   1HD   LYS  93          2HD       LYS  93   0.280   7.094   2.205
  522   2HD   LYS  93          1HD       LYS  93   1.587   7.848   3.121
  523   1HE   LYS  93          2HE       LYS  93  -0.548   8.190   4.233
  524   2HE   LYS  93          1HE       LYS  93   0.112   9.724   3.671
  525   1HZ   LYS  93          1HZ       LYS  93  -1.995   8.146   2.295
  526   2HZ   LYS  93          3HZ       LYS  93  -2.252   9.550   3.205
  527   3HZ   LYS  93          2HZ       LYS  93  -1.368   9.623   1.764
  528    H    ILE  94           H        ILE  94   1.097   7.665  -2.590
  529    HA   ILE  94           HA       ILE  94  -1.418   8.844  -2.482
  530    HB   ILE  94           HB       ILE  94   0.164   7.717  -4.772
  531   1HG1  ILE  94          2HG1      ILE  94  -0.728  10.529  -4.094
  532   2HG1  ILE  94          1HG1      ILE  94   0.850   9.857  -3.704
  533   1HG2  ILE  94          3HG2      ILE  94  -2.562   8.997  -4.944
  534   2HG2  ILE  94          2HG2      ILE  94  -1.509   8.653  -6.318
  535   3HG2  ILE  94          1HG2      ILE  94  -2.160   7.328  -5.349
  536   1HD1  ILE  94          2HD1      ILE  94   1.292   9.564  -6.100
  537   2HD1  ILE  94          1HD1      ILE  94  -0.271  10.296  -6.462
  538   3HD1  ILE  94          3HD1      ILE  94   0.986  11.247  -5.670
  539    H    LEU  95           H        LEU  95  -0.674   5.724  -4.049
  540    HA   LEU  95           HA       LEU  95  -3.201   4.854  -4.575
  541   1HB   LEU  95          2HB       LEU  95  -0.948   3.135  -3.537
  542   2HB   LEU  95          1HB       LEU  95  -2.344   2.569  -4.433
  543    HG   LEU  95           HG       LEU  95  -0.213   4.416  -5.510
  544   1HD1  LEU  95          2HD1      LEU  95   0.608   2.151  -5.156
  545   2HD1  LEU  95          1HD1      LEU  95  -0.761   1.505  -6.060
  546   3HD1  LEU  95          3HD1      LEU  95   0.443   2.503  -6.876
  547   1HD2  LEU  95          1HD2      LEU  95  -2.592   3.133  -6.851
  548   2HD2  LEU  95          3HD2      LEU  95  -2.370   4.854  -6.534
  549   3HD2  LEU  95          2HD2      LEU  95  -1.311   4.022  -7.675
  550    H    ILE  96           H        ILE  96  -1.497   4.710  -1.491
  551    HA   ILE  96           HA       ILE  96  -3.479   3.189  -0.156
  552    HB   ILE  96           HB       ILE  96  -1.455   5.078   1.048
  553   1HG1  ILE  96          2HG1      ILE  96  -1.245   2.083   0.706
  554   2HG1  ILE  96          1HG1      ILE  96  -0.536   3.236  -0.421
  555   1HG2  ILE  96          3HG2      ILE  96  -3.029   2.814   2.272
  556   2HG2  ILE  96          2HG2      ILE  96  -1.740   3.710   3.077
  557   3HG2  ILE  96          1HG2      ILE  96  -3.226   4.534   2.608
  558   1HD1  ILE  96          3HD1      ILE  96   0.125   3.090   2.510
  559   2HD1  ILE  96          2HD1      ILE  96   1.067   2.338   1.224
  560   3HD1  ILE  96          1HD1      ILE  96   0.910   4.093   1.291
  561    H    ASN  97           H        ASN  97  -3.011   6.612  -0.691
  562    HA   ASN  97           HA       ASN  97  -4.801   7.626   1.204
  563   1HB   ASN  97          2HB       ASN  97  -3.209   9.040  -0.003
  564   2HB   ASN  97          1HB       ASN  97  -4.078   8.752  -1.508
  565   1HD2  ASN  97          1HD2      ASN  97  -6.053   9.744  -1.853
  566   2HD2  ASN  97          2HD2      ASN  97  -6.601  11.070  -0.888
  567    H    LYS  98           H        LYS  98  -5.406   7.147  -2.298
  568    HA   LYS  98           HA       LYS  98  -8.123   7.715  -2.205
  569   1HB   LYS  98          2HB       LYS  98  -8.158   6.097  -4.285
  570   2HB   LYS  98          1HB       LYS  98  -7.411   7.687  -4.367
  571   1HG   LYS  98          2HG       LYS  98  -5.671   5.508  -3.477
  572   2HG   LYS  98          1HG       LYS  98  -6.211   5.423  -5.158
  573   1HD   LYS  98          2HD       LYS  98  -5.108   7.948  -3.983
  574   2HD   LYS  98          1HD       LYS  98  -4.038   6.702  -4.637
  575   1HE   LYS  98          2HE       LYS  98  -6.182   8.240  -6.093
  576   2HE   LYS  98          1HE       LYS  98  -4.440   8.312  -6.359
  577   1HZ   LYS  98          3HZ       LYS  98  -4.505   6.003  -7.093
  578   2HZ   LYS  98          2HZ       LYS  98  -6.180   5.961  -6.869
  579   3HZ   LYS  98          1HZ       LYS  98  -5.512   6.976  -8.045
  580    H    MET  99           H        MET  99  -6.473   4.605  -1.890
  581    HA   MET  99           HA       MET  99  -8.685   2.928  -1.842
  582   1HB   MET  99          2HB       MET  99  -6.198   2.327  -1.859
  583   2HB   MET  99          1HB       MET  99  -6.253   2.509  -0.113
  584   1HG   MET  99          2HG       MET  99  -8.085   0.659  -1.606
  585   2HG   MET  99          1HG       MET  99  -6.497   0.168  -1.025
  586   1HE   MET  99          2HE       MET  99  -7.681  -1.826   0.309
  587   2HE   MET  99          1HE       MET  99  -8.992  -1.580   1.463
  588   3HE   MET  99          3HE       MET  99  -9.262  -1.283  -0.254
  589    H    ARG 100           H        ARG 100  -7.199   4.753   0.805
  590    HA   ARG 100           HA       ARG 100  -8.874   3.663   2.834
  591   1HB   ARG 100          2HB       ARG 100  -6.740   4.596   3.441
  592   2HB   ARG 100          1HB       ARG 100  -7.170   6.155   2.750
  593   1HG   ARG 100          2HG       ARG 100  -8.943   6.377   4.463
  594   2HG   ARG 100          1HG       ARG 100  -8.381   4.868   5.187
  595   1HD   ARG 100          2HD       ARG 100  -6.224   5.839   5.645
  596   2HD   ARG 100          1HD       ARG 100  -6.667   7.316   4.789
  597    HE   ARG 100           HE       ARG 100  -8.515   6.879   6.852
  598   1HH1  ARG 100          1HH1      ARG 100  -5.160   7.710   6.410
  599   2HH1  ARG 100          2HH1      ARG 100  -5.058   8.620   7.880
  600   1HH2  ARG 100          1HH2      ARG 100  -8.391   8.078   8.788
  601   2HH2  ARG 100          2HH2      ARG 100  -6.896   8.831   9.230
  602    H    ASP 101           H        ASP 101  -8.908   6.746   1.058
  603    HA   ASP 101           HA       ASP 101 -11.112   7.885   2.338
  604   1HB   ASP 101          2HB       ASP 101  -9.632   9.179   0.895
  605   2HB   ASP 101          1HB       ASP 101 -10.167   8.262  -0.510
  606    H    SER 102           H        SER 102 -11.219   6.608  -0.990
  607    HA   SER 102           HA       SER 102 -13.980   5.738  -0.443
  608   1HB   SER 102          2HB       SER 102 -14.402   6.046  -2.862
  609   2HB   SER 102          1HB       SER 102 -13.894   7.543  -2.082
  610    HG   SER 102           HG       SER 102 -11.716   6.291  -2.919
  611    H    LYS 103           H        LYS 103 -14.739   3.832  -1.507
  612    HA   LYS 103           HA       LYS 103 -13.044   2.073  -2.933
  613   1HB   LYS 103          2HB       LYS 103 -12.928   0.283  -1.164
  614   2HB   LYS 103          1HB       LYS 103 -11.902   1.680  -0.878
  615   1HG   LYS 103          2HG       LYS 103 -13.297   2.484   0.827
  616   2HG   LYS 103          1HG       LYS 103 -14.621   1.415   0.360
  617   1HD   LYS 103          2HD       LYS 103 -13.158  -0.522   0.962
  618   2HD   LYS 103          1HD       LYS 103 -11.991   0.634   1.607
  619   1HE   LYS 103          2HE       LYS 103 -13.427  -0.303   3.357
  620   2HE   LYS 103          1HE       LYS 103 -13.629   1.441   3.195
  621   1HZ   LYS 103          1HZ       LYS 103 -15.444  -0.606   2.037
  622   2HZ   LYS 103          3HZ       LYS 103 -15.752   0.292   3.438
  623   3HZ   LYS 103          2HZ       LYS 103 -15.646   1.070   1.940
  624    H    LEU 104           H        LEU 104 -14.508   1.250  -4.274
  625    HA   LEU 104           HA       LEU 104 -17.087   0.373  -3.151
  626   1HB   LEU 104          2HB       LEU 104 -16.448   1.501  -5.873
  627   2HB   LEU 104          1HB       LEU 104 -17.956   0.688  -5.511
  628    HG   LEU 104           HG       LEU 104 -18.329   3.052  -5.418
  629   1HD1  LEU 104          1HD1      LEU 104 -19.498   1.698  -3.752
  630   2HD1  LEU 104          3HD1      LEU 104 -18.177   1.962  -2.613
  631   3HD1  LEU 104          2HD1      LEU 104 -19.160   3.322  -3.153
  632   1HD2  LEU 104          3HD2      LEU 104 -15.912   3.619  -4.987
  633   2HD2  LEU 104          2HD2      LEU 104 -17.093   4.579  -4.096
  634   3HD2  LEU 104          1HD2      LEU 104 -16.220   3.279  -3.286
  635    H    GLU 105           H        GLU 105 -15.700  -0.233  -6.345
  636    HA   GLU 105           HA       GLU 105 -15.226  -3.029  -5.670
  637   1HB   GLU 105          2HB       GLU 105 -17.133  -2.151  -7.843
  638   2HB   GLU 105          1HB       GLU 105 -16.525  -3.790  -7.662
  639   1HG   GLU 105          2HG       GLU 105 -17.581  -3.946  -5.470
  640   2HG   GLU 105          1HG       GLU 105 -18.184  -2.298  -5.641
  641    H    TRP 106           H        TRP 106 -13.044  -2.669  -6.053
  642    HA   TRP 106           HA       TRP 106 -12.342  -2.348  -8.888
  643   1HB   TRP 106          2HB       TRP 106 -10.881  -1.098  -6.551
  644   2HB   TRP 106          1HB       TRP 106 -10.323  -1.078  -8.220
  645    HD1  TRP 106           HD1      TRP 106 -12.846  -0.181  -9.776
  646    HE1  TRP 106           HE1      TRP 106 -13.856   2.163  -9.439
  647    HE3  TRP 106           HE3      TRP 106 -10.893   0.894  -5.174
  648    HZ2  TRP 106           HZ2      TRP 106 -13.827   4.197  -7.484
  649    HZ3  TRP 106           HZ3      TRP 106 -11.432   3.062  -4.143
  650    HH2  TRP 106           HH2      TRP 106 -12.868   4.678  -5.275
  651    H    LYS 107           H        LYS 107 -12.539  -4.510  -6.639
  652    HA   LYS 107           HA       LYS 107  -9.982  -5.795  -7.327
  653   1HB   LYS 107          2HB       LYS 107 -11.403  -5.893  -4.660
  654   2HB   LYS 107          1HB       LYS 107 -10.006  -6.870  -5.085
  655   1HG   LYS 107          2HG       LYS 107  -9.033  -5.156  -3.914
  656   2HG   LYS 107          1HG       LYS 107  -8.886  -4.574  -5.573
  657   1HD   LYS 107          2HD       LYS 107  -9.701  -2.702  -4.507
  658   2HD   LYS 107          1HD       LYS 107 -11.193  -3.449  -5.076
  659   1HE   LYS 107          2HE       LYS 107 -10.027  -3.755  -2.311
  660   2HE   LYS 107          1HE       LYS 107 -11.354  -2.678  -2.742
  661   1HZ   LYS 107          3HZ       LYS 107 -12.649  -4.616  -3.407
  662   2HZ   LYS 107          2HZ       LYS 107 -11.378  -5.639  -2.968
  663   3HZ   LYS 107          1HZ       LYS 107 -12.175  -4.729  -1.786
  664    H    ASP 108           H        ASP 108 -10.631  -7.235  -8.824
  665    HA   ASP 108           HA       ASP 108 -12.595  -9.242  -7.976
  666   1HB   ASP 108          2HB       ASP 108 -12.560  -7.912 -10.695
  667   2HB   ASP 108          1HB       ASP 108 -13.591  -9.263 -10.234

  No H/Q in entry =         667
  Start of MODEL    6
    1    H1   GLY  24          3H        GLY  24 -21.182  -2.910   8.392
    2    H2   GLY  24          2H        GLY  24 -19.501  -3.081   8.428
    3    H3   GLY  24          1H        GLY  24 -20.234  -1.777   9.215
    4   1HA   GLY  24          2HA       GLY  24 -19.221  -1.067   7.139
    5   2HA   GLY  24          1HA       GLY  24 -20.965  -0.852   7.126
    6    H    SER  25           H        SER  25 -18.276  -2.421   5.687
    7    HA   SER  25           HA       SER  25 -20.086  -3.686   3.740
    8   1HB   SER  25          2HB       SER  25 -18.741  -1.895   2.763
    9   2HB   SER  25          1HB       SER  25 -17.265  -2.659   3.352
   10    HG   SER  25           HG       SER  25 -17.401  -3.408   1.335
   11    H    HIS  26           H        HIS  26 -20.043  -5.825   3.546
   12    HA   HIS  26           HA       HIS  26 -17.798  -7.286   4.770
   13   1HB   HIS  26          2HB       HIS  26 -20.702  -8.062   4.464
   14   2HB   HIS  26          1HB       HIS  26 -19.445  -9.181   4.986
   15    HD1  HIS  26           HD1      HIS  26 -18.735  -9.083   7.405
   16    HD2  HIS  26           HD2      HIS  26 -21.250  -5.955   6.333
   17    HE1  HIS  26           HE1      HIS  26 -19.337  -7.937   9.561
   18    HE2  HIS  26           HE2      HIS  26 -20.953  -6.121   8.897
   19    H    MET  27           H        MET  27 -19.500  -6.666   1.875
   20    HA   MET  27           HA       MET  27 -18.733  -9.099   0.540
   21   1HB   MET  27          2HB       MET  27 -19.678  -8.044  -1.467
   22   2HB   MET  27          1HB       MET  27 -20.788  -7.961  -0.108
   23   1HG   MET  27          2HG       MET  27 -20.984  -5.854  -0.960
   24   2HG   MET  27          1HG       MET  27 -19.725  -5.605   0.248
   25   1HE   MET  27          3HE       MET  27 -20.301  -3.562  -2.068
   26   2HE   MET  27          2HE       MET  27 -18.967  -3.315  -0.941
   27   3HE   MET  27          1HE       MET  27 -18.687  -3.195  -2.678
   28    H    ASN  28           H        ASN  28 -17.052  -9.434  -0.822
   29    HA   ASN  28           HA       ASN  28 -15.036  -9.168  -1.830
   30   1HB   ASN  28          2HB       ASN  28 -16.227  -7.355  -3.057
   31   2HB   ASN  28          1HB       ASN  28 -15.677  -6.213  -1.835
   32   1HD2  ASN  28          1HD2      ASN  28 -13.515  -5.629  -1.760
   33   2HD2  ASN  28          2HD2      ASN  28 -12.431  -5.940  -3.068
   34    H    ASN  29           H        ASN  29 -12.867  -8.724  -1.348
   35    HA   ASN  29           HA       ASN  29 -12.381  -8.162   1.436
   36   1HB   ASN  29          2HB       ASN  29  -9.941  -8.571   0.674
   37   2HB   ASN  29          1HB       ASN  29 -11.067  -9.925   0.642
   38   1HD2  ASN  29          1HD2      ASN  29  -9.871 -11.013  -0.906
   39   2HD2  ASN  29          2HD2      ASN  29  -9.829 -10.515  -2.560
   40    H    GLU  30           H        GLU  30 -12.503  -6.068   1.999
   41    HA   GLU  30           HA       GLU  30 -10.842  -4.163   0.486
   42   1HB   GLU  30          2HB       GLU  30 -13.233  -3.737   0.094
   43   2HB   GLU  30          1HB       GLU  30 -13.491  -3.595   1.827
   44   1HG   GLU  30          2HG       GLU  30 -12.015  -1.648   1.886
   45   2HG   GLU  30          1HG       GLU  30 -11.771  -1.786   0.145
   46    H    ASP  31           H        ASP  31 -11.949  -5.316   3.584
   47    HA   ASP  31           HA       ASP  31 -10.969  -3.299   5.247
   48   1HB   ASP  31          2HB       ASP  31 -11.205  -6.273   5.749
   49   2HB   ASP  31          1HB       ASP  31 -10.866  -5.081   7.000
   50    H    PHE  32           H        PHE  32  -8.972  -2.498   5.043
   51    HA   PHE  32           HA       PHE  32  -6.725  -4.206   4.408
   52   1HB   PHE  32          2HB       PHE  32  -5.424  -2.082   4.459
   53   2HB   PHE  32          1HB       PHE  32  -6.793  -2.037   3.354
   54    HD1  PHE  32           HD1      PHE  32  -5.372  -0.719   6.439
   55    HD2  PHE  32           HD2      PHE  32  -8.740  -0.667   3.838
   56    HE1  PHE  32           HE1      PHE  32  -6.186   1.323   7.541
   57    HE2  PHE  32           HE2      PHE  32  -9.561   1.377   4.936
   58    HZ   PHE  32           HZ       PHE  32  -8.284   2.375   6.789
   59    H    SER  33           H        SER  33  -8.297  -3.263   7.216
   60    HA   SER  33           HA       SER  33  -6.040  -3.016   8.949
   61   1HB   SER  33          2HB       SER  33  -8.938  -3.619   9.594
   62   2HB   SER  33          1HB       SER  33  -7.701  -3.180  10.771
   63    HG   SER  33           HG       SER  33  -9.153  -1.462   9.837
   64    H    GLN  34           H        GLN  34  -7.572  -5.649   7.465
   65    HA   GLN  34           HA       GLN  34  -6.527  -7.534   9.466
   66   1HB   GLN  34          2HB       GLN  34  -8.508  -8.001   7.230
   67   2HB   GLN  34          1HB       GLN  34  -7.983  -9.206   8.398
   68   1HG   GLN  34          2HG       GLN  34  -8.974  -7.913  10.201
   69   2HG   GLN  34          1HG       GLN  34  -9.469  -6.671   9.051
   70   1HE2  GLN  34          1HE2      GLN  34 -10.037  -9.893  10.220
   71   2HE2  GLN  34          2HE2      GLN  34 -11.575 -10.116   9.464
   72    H    TRP  35           H        TRP  35  -5.518  -6.072   6.755
   73    HA   TRP  35           HA       TRP  35  -4.584  -8.180   5.125
   74   1HB   TRP  35          2HB       TRP  35  -3.861  -5.283   5.417
   75   2HB   TRP  35          1HB       TRP  35  -2.897  -6.335   4.388
   76    HD1  TRP  35           HD1      TRP  35  -6.502  -7.277   4.259
   77    HE1  TRP  35           HE1      TRP  35  -7.560  -6.408   2.077
   78    HE3  TRP  35           HE3      TRP  35  -2.757  -4.154   2.724
   79    HZ2  TRP  35           HZ2      TRP  35  -6.894  -4.636  -0.015
   80    HZ3  TRP  35           HZ3      TRP  35  -3.046  -2.910   0.622
   81    HH2  TRP  35           HH2      TRP  35  -5.071  -3.148  -0.718
   82    H    SER  36           H        SER  36  -2.485  -9.014   4.870
   83    HA   SER  36           HA       SER  36  -0.835  -8.890   7.306
   84   1HB   SER  36          2HB       SER  36  -1.085 -11.127   5.278
   85   2HB   SER  36          1HB       SER  36  -0.018 -11.141   6.682
   86    HG   SER  36           HG       SER  36  -2.129 -12.206   6.919
   87    H    VAL  37           H        VAL  37   1.521  -9.822   6.566
   88    HA   VAL  37           HA       VAL  37   2.728  -7.697   5.200
   89    HB   VAL  37           HB       VAL  37   3.814 -10.466   5.733
   90   1HG1  VAL  37          2HG1      VAL  37   5.255  -7.938   4.937
   91   2HG1  VAL  37          1HG1      VAL  37   6.030  -9.438   5.446
   92   3HG1  VAL  37          3HG1      VAL  37   5.079  -9.397   3.961
   93   1HG2  VAL  37          1HG2      VAL  37   4.111  -7.879   7.257
   94   2HG2  VAL  37          3HG2      VAL  37   3.180  -9.289   7.763
   95   3HG2  VAL  37          2HG2      VAL  37   4.935  -9.392   7.636
   96    H    ASP  38           H        ASP  38   2.183 -11.050   4.109
   97    HA   ASP  38           HA       ASP  38   3.203 -10.678   1.513
   98   1HB   ASP  38          2HB       ASP  38   1.162 -12.692   2.470
   99   2HB   ASP  38          1HB       ASP  38   2.081 -12.794   0.971
  100    H    ASP  39           H        ASP  39   0.040 -10.094   2.887
  101    HA   ASP  39           HA       ASP  39  -1.392  -9.928   0.449
  102   1HB   ASP  39          2HB       ASP  39  -2.379 -10.189   2.765
  103   2HB   ASP  39          1HB       ASP  39  -2.065  -8.472   3.006
  104    H    VAL  40           H        VAL  40  -0.080  -7.372   2.562
  105    HA   VAL  40           HA       VAL  40  -0.802  -5.192   0.978
  106    HB   VAL  40           HB       VAL  40   1.615  -5.418   2.777
  107   1HG1  VAL  40          1HG1      VAL  40   0.125  -2.996   1.769
  108   2HG1  VAL  40          3HG1      VAL  40   1.429  -2.977   2.955
  109   3HG1  VAL  40          2HG1      VAL  40   1.751  -3.492   1.300
  110   1HG2  VAL  40          2HG2      VAL  40  -0.559  -5.987   3.853
  111   2HG2  VAL  40          1HG2      VAL  40   0.229  -4.567   4.538
  112   3HG2  VAL  40          3HG2      VAL  40  -1.134  -4.374   3.437
  113    H    ILE  41           H        ILE  41   2.219  -7.065   0.991
  114    HA   ILE  41           HA       ILE  41   3.623  -5.538  -0.877
  115    HB   ILE  41           HB       ILE  41   3.824  -8.509  -0.382
  116   1HG1  ILE  41          2HG1      ILE  41   5.487  -6.255   0.751
  117   2HG1  ILE  41          1HG1      ILE  41   4.146  -7.008   1.608
  118   1HG2  ILE  41          1HG2      ILE  41   5.757  -6.605  -1.701
  119   2HG2  ILE  41          3HG2      ILE  41   6.097  -8.287  -1.296
  120   3HG2  ILE  41          2HG2      ILE  41   4.860  -7.902  -2.491
  121   1HD1  ILE  41          1HD1      ILE  41   5.322  -9.156   1.519
  122   2HD1  ILE  41          3HD1      ILE  41   6.674  -8.368   0.706
  123   3HD1  ILE  41          2HD1      ILE  41   6.254  -7.916   2.358
  124    H    THR  42           H        THR  42   1.729  -8.513  -1.435
  125    HA   THR  42           HA       THR  42   2.061  -8.683  -4.181
  126    HB   THR  42           HB       THR  42  -0.422  -9.445  -2.625
  127    HG1  THR  42           HG1      THR  42   0.671 -11.166  -2.003
  128   1HG2  THR  42          1HG2      THR  42   0.626 -10.395  -5.295
  129   2HG2  THR  42          3HG2      THR  42  -0.756 -11.080  -4.440
  130   3HG2  THR  42          2HG2      THR  42  -0.817  -9.418  -5.027
  131    H    TRP  43           H        TRP  43  -0.784  -7.285  -2.518
  132    HA   TRP  43           HA       TRP  43  -2.023  -6.256  -4.781
  133   1HB   TRP  43          2HB       TRP  43  -3.169  -6.387  -2.639
  134   2HB   TRP  43          1HB       TRP  43  -2.077  -5.187  -1.952
  135    HD1  TRP  43           HD1      TRP  43  -4.875  -5.469  -4.598
  136    HE1  TRP  43           HE1      TRP  43  -5.960  -3.152  -4.872
  137    HE3  TRP  43           HE3      TRP  43  -1.768  -2.754  -1.575
  138    HZ2  TRP  43           HZ2      TRP  43  -5.551  -0.523  -3.936
  139    HZ3  TRP  43           HZ3      TRP  43  -2.185  -0.343  -1.320
  140    HH2  TRP  43           HH2      TRP  43  -4.037   0.749  -2.476
  141    H    CYS  44           H        CYS  44   0.575  -4.926  -2.841
  142    HA   CYS  44           HA       CYS  44   0.524  -2.293  -3.828
  143   1HB   CYS  44          2HB       CYS  44   1.810  -2.997  -1.833
  144   2HB   CYS  44          1HB       CYS  44   2.913  -3.889  -2.874
  145    HG   CYS  44           HG       CYS  44   2.691  -0.562  -2.342
  146    H    ILE  45           H        ILE  45   2.963  -4.748  -4.633
  147    HA   ILE  45           HA       ILE  45   4.002  -3.545  -6.892
  148    HB   ILE  45           HB       ILE  45   3.721  -6.522  -6.440
  149   1HG1  ILE  45          2HG1      ILE  45   6.006  -4.723  -5.612
  150   2HG1  ILE  45          1HG1      ILE  45   4.720  -5.222  -4.518
  151   1HG2  ILE  45          2HG2      ILE  45   5.687  -4.921  -8.074
  152   2HG2  ILE  45          1HG2      ILE  45   5.781  -6.658  -7.786
  153   3HG2  ILE  45          3HG2      ILE  45   4.425  -5.987  -8.693
  154   1HD1  ILE  45          3HD1      ILE  45   6.626  -7.065  -5.941
  155   2HD1  ILE  45          2HD1      ILE  45   6.720  -6.581  -4.248
  156   3HD1  ILE  45          1HD1      ILE  45   5.358  -7.548  -4.815
  157    H    SER  46           H        SER  46   1.002  -5.222  -6.522
  158    HA   SER  46           HA       SER  46   0.586  -6.026  -9.192
  159   1HB   SER  46          2HB       SER  46  -0.720  -6.946  -7.347
  160   2HB   SER  46          1HB       SER  46  -1.437  -5.365  -7.043
  161    HG   SER  46           HG       SER  46  -2.894  -5.990  -8.415
  162    H    THR  47           H        THR  47   0.558  -2.902  -7.802
  163    HA   THR  47           HA       THR  47  -0.149  -1.719 -10.308
  164    HB   THR  47           HB       THR  47  -2.406  -2.227  -9.519
  165    HG1  THR  47           HG1      THR  47  -2.854   0.304  -9.175
  166   1HG2  THR  47          1HG2      THR  47  -1.664  -0.547  -7.124
  167   2HG2  THR  47          3HG2      THR  47  -3.296  -1.096  -7.508
  168   3HG2  THR  47          2HG2      THR  47  -2.037  -2.271  -7.124
  169    H    LEU  48           H        LEU  48   1.911  -1.617  -8.038
  170    HA   LEU  48           HA       LEU  48   1.659   1.124  -7.117
  171   1HB   LEU  48          2HB       LEU  48   2.677  -0.934  -5.865
  172   2HB   LEU  48          1HB       LEU  48   4.123  -0.544  -6.770
  173    HG   LEU  48           HG       LEU  48   4.161   0.388  -4.500
  174   1HD1  LEU  48          1HD1      LEU  48   5.395   1.521  -6.268
  175   2HD1  LEU  48          3HD1      LEU  48   3.975   2.503  -6.636
  176   3HD1  LEU  48          2HD1      LEU  48   4.780   2.667  -5.075
  177   1HD2  LEU  48          1HD2      LEU  48   1.756   0.725  -4.220
  178   2HD2  LEU  48          3HD2      LEU  48   2.667   2.193  -3.869
  179   3HD2  LEU  48          2HD2      LEU  48   1.804   2.037  -5.399
  180    H    GLU  49           H        GLU  49   4.444  -0.539  -8.619
  181    HA   GLU  49           HA       GLU  49   4.642   1.621 -10.567
  182   1HB   GLU  49          2HB       GLU  49   6.691   1.012  -8.471
  183   2HB   GLU  49          1HB       GLU  49   7.184   1.669 -10.026
  184   1HG   GLU  49          2HG       GLU  49   5.182   2.953  -8.184
  185   2HG   GLU  49          1HG       GLU  49   6.889   3.382  -8.275
  186    H    VAL  50           H        VAL  50   6.596  -1.134  -9.415
  187    HA   VAL  50           HA       VAL  50   6.916  -1.954 -12.225
  188    HB   VAL  50           HB       VAL  50   8.963  -3.076 -11.576
  189   1HG1  VAL  50          3HG1      VAL  50   9.082  -0.701 -12.167
  190   2HG1  VAL  50          2HG1      VAL  50   8.877  -0.271 -10.468
  191   3HG1  VAL  50          1HG1      VAL  50  10.319  -1.141 -10.990
  192   1HG2  VAL  50          2HG2      VAL  50   8.347  -2.117  -8.782
  193   2HG2  VAL  50          1HG2      VAL  50   8.343  -3.789  -9.340
  194   3HG2  VAL  50          3HG2      VAL  50   9.853  -2.880  -9.290
  195    H    GLU  51           H        GLU  51   7.861  -4.469 -11.907
  196    HA   GLU  51           HA       GLU  51   5.480  -5.926 -11.018
  197   1HB   GLU  51          2HB       GLU  51   6.484  -7.794 -12.376
  198   2HB   GLU  51          1HB       GLU  51   6.042  -6.364 -13.299
  199   1HG   GLU  51          2HG       GLU  51   8.342  -5.647 -13.375
  200   2HG   GLU  51          1HG       GLU  51   8.826  -6.994 -12.345
  201    H    GLU  52           H        GLU  52   6.445  -8.436 -10.590
  202    HA   GLU  52           HA       GLU  52   7.740  -8.110  -8.036
  203   1HB   GLU  52          2HB       GLU  52   6.812 -10.580  -9.511
  204   2HB   GLU  52          1HB       GLU  52   7.470 -10.588  -7.880
  205   1HG   GLU  52          2HG       GLU  52   5.633  -9.167  -7.129
  206   2HG   GLU  52          1HG       GLU  52   4.976  -9.153  -8.765
  207    H    THR  53           H        THR  53   9.699  -7.191  -9.032
  208    HA   THR  53           HA       THR  53  11.670  -9.290  -9.453
  209    HB   THR  53           HB       THR  53  11.168  -8.624 -11.710
  210    HG1  THR  53           HG1      THR  53  13.529  -8.569 -10.662
  211   1HG2  THR  53          3HG2      THR  53  10.206  -6.441 -11.109
  212   2HG2  THR  53          2HG2      THR  53  11.833  -5.830 -10.825
  213   3HG2  THR  53          1HG2      THR  53  11.352  -6.335 -12.446
  214    H    ASP  54           H        ASP  54  10.946  -5.931  -8.835
  215    HA   ASP  54           HA       ASP  54  13.550  -5.197  -7.939
  216   1HB   ASP  54          2HB       ASP  54  12.010  -3.543  -8.849
  217   2HB   ASP  54          1HB       ASP  54  10.846  -3.886  -7.575
  218    HA   PRO  55           HA       PRO  55  13.580  -6.790  -3.802
  219   1HB   PRO  55          2HB       PRO  55  14.870  -4.691  -2.540
  220   2HB   PRO  55          1HB       PRO  55  15.671  -6.000  -3.412
  221   1HG   PRO  55          2HG       PRO  55  14.996  -3.240  -4.340
  222   2HG   PRO  55          1HG       PRO  55  16.463  -4.195  -4.632
  223   1HD   PRO  55          2HD       PRO  55  14.592  -3.936  -6.519
  224   2HD   PRO  55          1HD       PRO  55  15.447  -5.475  -6.285
  225    H    LEU  56           H        LEU  56  11.725  -4.187  -4.730
  226    HA   LEU  56           HA       LEU  56  10.901  -2.829  -2.519
  227   1HB   LEU  56          2HB       LEU  56  10.010  -2.398  -4.733
  228   2HB   LEU  56          1HB       LEU  56   9.189  -3.947  -4.739
  229    HG   LEU  56           HG       LEU  56   7.815  -3.115  -2.791
  230   1HD1  LEU  56          2HD1      LEU  56   9.101  -0.500  -3.562
  231   2HD1  LEU  56          1HD1      LEU  56   7.691  -0.666  -2.514
  232   3HD1  LEU  56          3HD1      LEU  56   9.246  -1.334  -2.014
  233   1HD2  LEU  56          2HD2      LEU  56   6.981  -3.185  -5.099
  234   2HD2  LEU  56          1HD2      LEU  56   6.316  -1.825  -4.196
  235   3HD2  LEU  56          3HD2      LEU  56   7.609  -1.559  -5.365
  236    H    CYS  57           H        CYS  57  10.182  -6.157  -3.341
  237    HA   CYS  57           HA       CYS  57   8.177  -6.525  -1.335
  238   1HB   CYS  57          2HB       CYS  57   8.135  -7.966  -3.251
  239   2HB   CYS  57          1HB       CYS  57   9.800  -8.470  -2.979
  240    HG   CYS  57           HG       CYS  57   9.164  -9.815  -0.561
  241    H    GLN  58           H        GLN  58  11.630  -7.271  -1.579
  242    HA   GLN  58           HA       GLN  58  11.907  -8.651   0.839
  243   1HB   GLN  58          2HB       GLN  58  13.891  -6.957  -0.683
  244   2HB   GLN  58          1HB       GLN  58  14.318  -7.983   0.679
  245   1HG   GLN  58          2HG       GLN  58  12.886  -9.173  -1.647
  246   2HG   GLN  58          1HG       GLN  58  14.608  -8.822  -1.774
  247   1HE2  GLN  58          1HE2      GLN  58  13.100  -9.737   1.235
  248   2HE2  GLN  58          2HE2      GLN  58  13.824 -11.300   1.349
  249    H    ARG  59           H        ARG  59  11.896  -5.210   0.129
  250    HA   ARG  59           HA       ARG  59  12.815  -4.364   2.685
  251   1HB   ARG  59          2HB       ARG  59  11.276  -2.910   0.531
  252   2HB   ARG  59          1HB       ARG  59  11.903  -2.136   1.980
  253   1HG   ARG  59          2HG       ARG  59  13.601  -3.571  -0.051
  254   2HG   ARG  59          1HG       ARG  59  13.327  -1.827  -0.018
  255   1HD   ARG  59          2HD       ARG  59  14.295  -1.736   2.241
  256   2HD   ARG  59          1HD       ARG  59  14.601  -3.471   2.168
  257    HE   ARG  59           HE       ARG  59  15.859  -2.476  -0.034
  258   1HH1  ARG  59          1HH1      ARG  59  15.996  -1.791   3.381
  259   2HH1  ARG  59          2HH1      ARG  59  17.656  -1.302   3.348
  260   1HH2  ARG  59          1HH2      ARG  59  18.048  -1.835  -0.085
  261   2HH2  ARG  59          2HH2      ARG  59  18.823  -1.328   1.377
  262    H    LEU  60           H        LEU  60   9.565  -4.412   1.215
  263    HA   LEU  60           HA       LEU  60   8.144  -3.506   3.426
  264   1HB   LEU  60          2HB       LEU  60   7.306  -5.418   1.250
  265   2HB   LEU  60          1HB       LEU  60   6.197  -4.713   2.411
  266    HG   LEU  60           HG       LEU  60   7.847  -3.146   0.424
  267   1HD1  LEU  60          2HD1      LEU  60   6.114  -4.491  -0.659
  268   2HD1  LEU  60          1HD1      LEU  60   4.904  -3.801   0.421
  269   3HD1  LEU  60          3HD1      LEU  60   5.743  -2.769  -0.737
  270   1HD2  LEU  60          2HD2      LEU  60   7.358  -1.910   2.483
  271   2HD2  LEU  60          1HD2      LEU  60   6.472  -1.255   1.106
  272   3HD2  LEU  60          3HD2      LEU  60   5.642  -2.268   2.287
  273    H    ARG  61           H        ARG  61   8.967  -6.838   2.502
  274    HA   ARG  61           HA       ARG  61   7.646  -8.097   4.645
  275   1HB   ARG  61          2HB       ARG  61   8.340  -9.353   2.687
  276   2HB   ARG  61          1HB       ARG  61  10.029  -9.000   3.019
  277   1HG   ARG  61          2HG       ARG  61   9.977 -10.346   5.007
  278   2HG   ARG  61          1HG       ARG  61   8.238 -10.592   4.840
  279   1HD   ARG  61          2HD       ARG  61  10.294 -11.489   2.825
  280   2HD   ARG  61          1HD       ARG  61   9.610 -12.524   4.079
  281    HE   ARG  61           HE       ARG  61   7.544 -11.344   2.557
  282   1HH1  ARG  61          1HH1      ARG  61  10.022 -13.787   2.351
  283   2HH1  ARG  61          2HH1      ARG  61   9.152 -14.755   1.208
  284   1HH2  ARG  61          1HH2      ARG  61   6.391 -12.615   1.056
  285   2HH2  ARG  61          2HH2      ARG  61   7.089 -14.089   0.471
  286    H    GLU  62           H        GLU  62  10.862  -6.712   4.334
  287    HA   GLU  62           HA       GLU  62  12.042  -7.751   6.635
  288   1HB   GLU  62          2HB       GLU  62  13.287  -6.492   4.933
  289   2HB   GLU  62          1HB       GLU  62  12.439  -5.021   5.392
  290   1HG   GLU  62          2HG       GLU  62  13.438  -5.179   7.638
  291   2HG   GLU  62          1HG       GLU  62  14.335  -6.603   7.113
  292    H    ASN  63           H        ASN  63  10.293  -4.677   6.226
  293    HA   ASN  63           HA       ASN  63  10.033  -4.489   9.141
  294   1HB   ASN  63          2HB       ASN  63   9.372  -2.395   7.061
  295   2HB   ASN  63          1HB       ASN  63   9.472  -2.160   8.803
  296   1HD2  ASN  63          1HD2      ASN  63  10.921  -0.845   6.632
  297   2HD2  ASN  63          2HD2      ASN  63  12.598  -1.099   6.961
  298    H    ASP  64           H        ASP  64   8.390  -6.002   9.455
  299    HA   ASP  64           HA       ASP  64   6.020  -6.215   8.020
  300   1HB   ASP  64          2HB       ASP  64   5.089  -7.259  10.096
  301   2HB   ASP  64          1HB       ASP  64   6.639  -7.926   9.593
  302    H    ILE  65           H        ILE  65   4.683  -4.597   7.576
  303    HA   ILE  65           HA       ILE  65   3.742  -2.915   9.800
  304    HB   ILE  65           HB       ILE  65   4.434  -1.965   7.017
  305   1HG1  ILE  65          2HG1      ILE  65   6.365  -2.220   8.521
  306   2HG1  ILE  65          1HG1      ILE  65   6.055  -0.527   8.151
  307   1HG2  ILE  65          1HG2      ILE  65   3.142  -0.466   9.292
  308   2HG2  ILE  65          3HG2      ILE  65   3.729   0.261   7.796
  309   3HG2  ILE  65          2HG2      ILE  65   2.394  -0.891   7.751
  310   1HD1  ILE  65          2HD1      ILE  65   4.955  -0.268  10.324
  311   2HD1  ILE  65          1HD1      ILE  65   5.304  -1.957  10.691
  312   3HD1  ILE  65          3HD1      ILE  65   6.627  -0.809  10.483
  313    H    VAL  66           H        VAL  66   1.628  -3.123  10.060
  314    HA   VAL  66           HA       VAL  66  -0.016  -4.419   8.111
  315    HB   VAL  66           HB       VAL  66  -1.877  -3.943   9.703
  316   1HG1  VAL  66          3HG1      VAL  66  -0.575  -5.992   9.877
  317   2HG1  VAL  66          2HG1      VAL  66   0.597  -5.173  10.909
  318   3HG1  VAL  66          1HG1      VAL  66  -1.056  -5.419  11.474
  319   1HG2  VAL  66          1HG2      VAL  66   0.311  -2.663  11.339
  320   2HG2  VAL  66          3HG2      VAL  66  -1.062  -1.835  10.606
  321   3HG2  VAL  66          2HG2      VAL  66  -1.326  -3.003  11.901
  322    H    GLY  67           H        GLY  67  -2.139  -3.476   7.434
  323   1HA   GLY  67          1HA       GLY  67  -3.220  -1.924   6.127
  324   2HA   GLY  67          2HA       GLY  67  -1.700  -1.047   6.027
  325    H    ASP  68           H        ASP  68  -2.616  -1.632   9.219
  326    HA   ASP  68           HA       ASP  68  -4.365   0.621   9.550
  327   1HB   ASP  68          2HB       ASP  68  -4.506  -1.364  11.008
  328   2HB   ASP  68          1HB       ASP  68  -2.895  -1.016  11.628
  329    H    LEU  69           H        LEU  69  -1.033   0.284   9.213
  330    HA   LEU  69           HA       LEU  69  -0.480   2.733  10.741
  331   1HB   LEU  69          2HB       LEU  69   1.471   0.756   9.560
  332   2HB   LEU  69          1HB       LEU  69   1.870   2.117  10.593
  333    HG   LEU  69           HG       LEU  69   0.195  -0.245  11.449
  334   1HD1  LEU  69          2HD1      LEU  69   3.086   0.393  12.019
  335   2HD1  LEU  69          1HD1      LEU  69   2.159  -0.924  12.737
  336   3HD1  LEU  69          3HD1      LEU  69   2.490  -0.922  11.006
  337   1HD2  LEU  69          3HD2      LEU  69  -0.317   1.805  12.665
  338   2HD2  LEU  69          2HD2      LEU  69   0.526   0.652  13.699
  339   3HD2  LEU  69          1HD2      LEU  69   1.395   2.030  13.024
  340    H    LEU  70           H        LEU  70  -1.009   1.640   7.597
  341    HA   LEU  70           HA       LEU  70   0.767   3.157   6.080
  342   1HB   LEU  70          2HB       LEU  70  -2.050   2.272   5.479
  343   2HB   LEU  70          1HB       LEU  70  -1.009   3.042   4.297
  344    HG   LEU  70           HG       LEU  70  -0.379   0.435   5.687
  345   1HD1  LEU  70          2HD1      LEU  70  -1.434   0.957   2.910
  346   2HD1  LEU  70          1HD1      LEU  70  -0.899  -0.605   3.529
  347   3HD1  LEU  70          3HD1      LEU  70  -2.310   0.187   4.232
  348   1HD2  LEU  70          1HD2      LEU  70   0.935   1.838   3.361
  349   2HD2  LEU  70          3HD2      LEU  70   1.603   1.666   4.984
  350   3HD2  LEU  70          2HD2      LEU  70   1.360   0.240   3.974
  351    HA   PRO  71           HA       PRO  71  -2.358   6.782   6.085
  352   1HB   PRO  71          2HB       PRO  71  -4.476   6.779   7.722
  353   2HB   PRO  71          1HB       PRO  71  -4.506   5.925   6.174
  354   1HG   PRO  71          2HG       PRO  71  -4.064   4.836   8.927
  355   2HG   PRO  71          1HG       PRO  71  -5.061   4.183   7.615
  356   1HD   PRO  71          2HD       PRO  71  -2.539   3.289   8.206
  357   2HD   PRO  71          1HD       PRO  71  -3.271   3.184   6.593
  358    H    GLU  72           H        GLU  72  -0.922   5.396   8.770
  359    HA   GLU  72           HA       GLU  72  -1.057   7.908  10.301
  360   1HB   GLU  72          2HB       GLU  72  -0.373   5.122  11.254
  361   2HB   GLU  72          1HB       GLU  72  -0.374   6.565  12.259
  362   1HG   GLU  72          2HG       GLU  72  -2.792   6.842  11.745
  363   2HG   GLU  72          1HG       GLU  72  -2.740   5.290  10.910
  364    H    LEU  73           H        LEU  73   0.776   6.945   8.012
  365    HA   LEU  73           HA       LEU  73   3.288   7.674   9.363
  366   1HB   LEU  73          2HB       LEU  73   2.855   5.602   7.220
  367   2HB   LEU  73          1HB       LEU  73   4.437   6.254   7.605
  368    HG   LEU  73           HG       LEU  73   2.669   4.782   9.564
  369   1HD1  LEU  73          2HD1      LEU  73   5.084   3.838   8.024
  370   2HD1  LEU  73          1HD1      LEU  73   4.268   2.943   9.307
  371   3HD1  LEU  73          3HD1      LEU  73   3.421   3.293   7.800
  372   1HD2  LEU  73          1HD2      LEU  73   5.538   5.695   9.746
  373   2HD2  LEU  73          3HD2      LEU  73   4.173   6.368  10.636
  374   3HD2  LEU  73          2HD2      LEU  73   4.695   4.711  10.941
  375    H    CYS  74           H        CYS  74   4.879   8.717   7.975
  376    HA   CYS  74           HA       CYS  74   3.566  10.443   6.006
  377   1HB   CYS  74          2HB       CYS  74   6.241  10.724   7.392
  378   2HB   CYS  74          1HB       CYS  74   5.550  11.893   6.273
  379    HG   CYS  74           HG       CYS  74   5.235  12.986   8.774
  380    H    LEU  75           H        LEU  75   5.540  11.290   4.427
  381    HA   LEU  75           HA       LEU  75   5.911   9.123   2.626
  382   1HB   LEU  75          2HB       LEU  75   6.819  11.982   2.675
  383   2HB   LEU  75          1HB       LEU  75   7.409  10.882   1.445
  384    HG   LEU  75           HG       LEU  75   5.543  12.217   0.615
  385   1HD1  LEU  75          2HD1      LEU  75   4.853   9.308   0.995
  386   2HD1  LEU  75          1HD1      LEU  75   4.108  10.389  -0.183
  387   3HD1  LEU  75          3HD1      LEU  75   5.824   9.999  -0.305
  388   1HD2  LEU  75          3HD2      LEU  75   4.412  12.576   2.769
  389   2HD2  LEU  75          2HD2      LEU  75   3.309  11.993   1.522
  390   3HD2  LEU  75          1HD2      LEU  75   3.898  10.889   2.765
  391    H    GLN  76           H        GLN  76   7.770  10.407   5.212
  392    HA   GLN  76           HA       GLN  76  10.354   9.642   4.378
  393   1HB   GLN  76          2HB       GLN  76  10.042  11.194   6.216
  394   2HB   GLN  76          1HB       GLN  76   9.206   9.965   7.155
  395   1HG   GLN  76          2HG       GLN  76  11.264   8.641   7.238
  396   2HG   GLN  76          1HG       GLN  76  12.097   9.894   6.321
  397   1HE2  GLN  76          1HE2      GLN  76  13.575  10.259   7.935
  398   2HE2  GLN  76          2HE2      GLN  76  13.166  11.073   9.400
  399    H    ASP  77           H        ASP  77   8.141   8.027   6.668
  400    HA   ASP  77           HA       ASP  77   9.635   5.701   7.006
  401   1HB   ASP  77          2HB       ASP  77   6.628   6.025   7.109
  402   2HB   ASP  77          1HB       ASP  77   7.528   4.664   7.768
  403    H    CYS  78           H        CYS  78   7.466   6.654   4.445
  404    HA   CYS  78           HA       CYS  78   7.258   4.039   3.276
  405   1HB   CYS  78          2HB       CYS  78   6.648   6.764   2.107
  406   2HB   CYS  78          1HB       CYS  78   6.202   5.221   1.385
  407    HG   CYS  78           HG       CYS  78   3.840   5.507   2.388
  408    H    GLN  79           H        GLN  79   9.400   6.771   2.987
  409    HA   GLN  79           HA       GLN  79  10.600   5.953   0.526
  410   1HB   GLN  79          2HB       GLN  79  10.611   8.302   1.498
  411   2HB   GLN  79          1HB       GLN  79  11.847   7.738   2.616
  412   1HG   GLN  79          2HG       GLN  79  13.302   7.185   0.744
  413   2HG   GLN  79          1HG       GLN  79  12.059   7.718  -0.386
  414   1HE2  GLN  79          1HE2      GLN  79  11.619   9.918  -0.587
  415   2HE2  GLN  79          2HE2      GLN  79  12.714  11.127  -0.017
  416    H    ASP  80           H        ASP  80  11.170   5.337   3.921
  417    HA   ASP  80           HA       ASP  80  13.742   4.176   3.681
  418   1HB   ASP  80          2HB       ASP  80  12.757   4.939   5.834
  419   2HB   ASP  80          1HB       ASP  80  11.594   3.616   5.747
  420    H    LEU  81           H        LEU  81  10.602   3.140   2.881
  421    HA   LEU  81           HA       LEU  81  11.138   0.316   2.959
  422   1HB   LEU  81          2HB       LEU  81   8.867   2.105   2.480
  423   2HB   LEU  81          1HB       LEU  81   8.852   0.667   1.491
  424    HG   LEU  81           HG       LEU  81   8.650  -0.760   3.345
  425   1HD1  LEU  81          1HD1      LEU  81   9.477   1.582   5.056
  426   2HD1  LEU  81          3HD1      LEU  81   8.907   0.035   5.682
  427   3HD1  LEU  81          2HD1      LEU  81  10.400   0.111   4.748
  428   1HD2  LEU  81          2HD2      LEU  81   6.621   0.559   2.858
  429   2HD2  LEU  81          1HD2      LEU  81   6.727   0.066   4.549
  430   3HD2  LEU  81          3HD2      LEU  81   7.114   1.723   4.088
  431    H    CYS  82           H        CYS  82  11.775   2.861   0.839
  432    HA   CYS  82           HA       CYS  82  12.004   1.036  -1.460
  433   1HB   CYS  82          2HB       CYS  82  10.560   3.033  -1.794
  434   2HB   CYS  82          1HB       CYS  82  11.948   4.063  -1.462
  435    HG   CYS  82           HG       CYS  82  13.398   3.181  -3.702
  436    H    ASP  83           H        ASP  83  13.880   1.525  -2.928
  437    HA   ASP  83           HA       ASP  83  16.296   1.260  -1.542
  438   1HB   ASP  83          2HB       ASP  83  15.832   2.063  -4.421
  439   2HB   ASP  83          1HB       ASP  83  17.372   1.532  -3.754
  440    H    GLY  84           H        GLY  84  14.509   4.063  -2.330
  441   1HA   GLY  84          1HA       GLY  84  16.876   5.772  -1.895
  442   2HA   GLY  84          2HA       GLY  84  15.419   6.001  -0.940
  443    H    ASP  85           H        ASP  85  13.512   5.604  -2.977
  444    HA   ASP  85           HA       ASP  85  14.047   7.930  -4.707
  445   1HB   ASP  85          2HB       ASP  85  13.894   5.797  -5.961
  446   2HB   ASP  85          1HB       ASP  85  12.272   5.556  -5.319
  447    H    LEU  86           H        LEU  86  12.915   9.636  -4.077
  448    HA   LEU  86           HA       LEU  86  10.775   9.572  -2.266
  449   1HB   LEU  86          2HB       LEU  86  12.132  11.552  -2.544
  450   2HB   LEU  86          1HB       LEU  86  11.626  11.712  -4.215
  451    HG   LEU  86           HG       LEU  86   9.307  12.143  -3.436
  452   1HD1  LEU  86          3HD1      LEU  86   9.434  10.976  -1.293
  453   2HD1  LEU  86          2HD1      LEU  86  10.568  12.188  -0.698
  454   3HD1  LEU  86          1HD1      LEU  86   8.910  12.647  -1.087
  455   1HD2  LEU  86          2HD2      LEU  86  10.813  13.987  -3.959
  456   2HD2  LEU  86          1HD2      LEU  86   9.733  14.408  -2.631
  457   3HD2  LEU  86          3HD2      LEU  86  11.412  13.980  -2.301
  458    H    ASN  87           H        ASN  87  10.825   9.832  -5.795
  459    HA   ASN  87           HA       ASN  87   8.161  10.322  -6.317
  460   1HB   ASN  87          2HB       ASN  87  10.111  10.126  -7.957
  461   2HB   ASN  87          1HB       ASN  87   9.818   8.393  -7.938
  462   1HD2  ASN  87          1HD2      ASN  87   7.931   7.578  -8.842
  463   2HD2  ASN  87          2HD2      ASN  87   6.957   8.509  -9.923
  464    H    LYS  88           H        LYS  88   9.753   7.191  -5.859
  465    HA   LYS  88           HA       LYS  88   7.583   5.518  -6.287
  466   1HB   LYS  88          2HB       LYS  88   9.800   4.616  -6.092
  467   2HB   LYS  88          1HB       LYS  88   9.958   5.217  -4.449
  468   1HG   LYS  88          2HG       LYS  88   9.586   2.844  -4.406
  469   2HG   LYS  88          1HG       LYS  88   8.178   3.667  -3.738
  470   1HD   LYS  88          2HD       LYS  88   7.203   2.092  -5.118
  471   2HD   LYS  88          1HD       LYS  88   7.263   3.506  -6.170
  472   1HE   LYS  88          2HE       LYS  88   9.317   1.297  -6.134
  473   2HE   LYS  88          1HE       LYS  88   7.985   1.411  -7.280
  474   1HZ   LYS  88          2HZ       LYS  88   8.903   3.607  -7.946
  475   2HZ   LYS  88          1HZ       LYS  88  10.253   3.298  -6.977
  476   3HZ   LYS  88          3HZ       LYS  88   9.917   2.301  -8.303
  477    H    ALA  89           H        ALA  89   8.574   7.207  -3.340
  478    HA   ALA  89           HA       ALA  89   6.638   6.009  -1.648
  479   1HB   ALA  89          1HB       ALA  89   8.713   7.160  -0.870
  480   2HB   ALA  89          2HB       ALA  89   7.244   7.657  -0.028
  481   3HB   ALA  89          3HB       ALA  89   7.946   8.697  -1.268
  482    H    ILE  90           H        ILE  90   6.585   8.760  -3.808
  483    HA   ILE  90           HA       ILE  90   4.271  10.026  -2.818
  484    HB   ILE  90           HB       ILE  90   5.347   9.983  -5.643
  485   1HG1  ILE  90          2HG1      ILE  90   5.683  12.040  -3.447
  486   2HG1  ILE  90          1HG1      ILE  90   6.903  10.860  -3.908
  487   1HG2  ILE  90          3HG2      ILE  90   3.330  11.816  -4.349
  488   2HG2  ILE  90          2HG2      ILE  90   4.036  12.049  -5.948
  489   3HG2  ILE  90          1HG2      ILE  90   3.015  10.646  -5.631
  490   1HD1  ILE  90          3HD1      ILE  90   5.796  13.024  -5.681
  491   2HD1  ILE  90          2HD1      ILE  90   7.358  13.049  -4.863
  492   3HD1  ILE  90          1HD1      ILE  90   7.042  11.857  -6.124
  493    H    LYS  91           H        LYS  91   4.608   7.887  -5.660
  494    HA   LYS  91           HA       LYS  91   1.889   7.580  -6.185
  495   1HB   LYS  91          2HB       LYS  91   4.174   5.659  -6.664
  496   2HB   LYS  91          1HB       LYS  91   2.564   5.461  -7.338
  497   1HG   LYS  91          2HG       LYS  91   4.294   7.868  -7.841
  498   2HG   LYS  91          1HG       LYS  91   4.253   6.449  -8.888
  499   1HD   LYS  91          2HD       LYS  91   1.799   6.797  -9.150
  500   2HD   LYS  91          1HD       LYS  91   1.962   8.300  -8.240
  501   1HE   LYS  91          2HE       LYS  91   3.480   9.180  -9.921
  502   2HE   LYS  91          1HE       LYS  91   3.400   7.661 -10.813
  503   1HZ   LYS  91          1HZ       LYS  91   1.032   8.043 -11.161
  504   2HZ   LYS  91          3HZ       LYS  91   1.130   9.515 -10.332
  505   3HZ   LYS  91          2HZ       LYS  91   1.953   9.311 -11.795
  506    H    PHE  92           H        PHE  92   3.959   6.019  -3.854
  507    HA   PHE  92           HA       PHE  92   2.342   3.823  -3.195
  508   1HB   PHE  92          2HB       PHE  92   4.716   4.116  -2.505
  509   2HB   PHE  92          1HB       PHE  92   4.207   5.370  -1.380
  510    HD1  PHE  92           HD1      PHE  92   2.875   1.967  -2.162
  511    HD2  PHE  92           HD2      PHE  92   4.447   4.623   0.767
  512    HE1  PHE  92           HE1      PHE  92   2.525   0.256  -0.431
  513    HE2  PHE  92           HE2      PHE  92   4.097   2.917   2.505
  514    HZ   PHE  92           HZ       PHE  92   3.135   0.729   1.906
  515    H    LYS  93           H        LYS  93   2.711   6.868  -1.375
  516    HA   LYS  93           HA       LYS  93   0.566   6.469   0.359
  517   1HB   LYS  93          2HB       LYS  93   2.204   8.164   0.830
  518   2HB   LYS  93          1HB       LYS  93   1.830   9.015  -0.661
  519   1HG   LYS  93          2HG       LYS  93   0.886  10.187   1.222
  520   2HG   LYS  93          1HG       LYS  93  -0.406   9.537   0.212
  521   1HD   LYS  93          2HD       LYS  93  -1.005   9.138   2.485
  522   2HD   LYS  93          1HD       LYS  93  -0.533   7.588   1.787
  523   1HE   LYS  93          2HE       LYS  93   0.411   7.833   4.008
  524   2HE   LYS  93          1HE       LYS  93   1.693   7.828   2.798
  525   1HZ   LYS  93          1HZ       LYS  93   0.549  10.261   4.063
  526   2HZ   LYS  93          3HZ       LYS  93   2.023   9.542   4.485
  527   3HZ   LYS  93          2HZ       LYS  93   1.821  10.222   2.949
  528    H    ILE  94           H        ILE  94   0.635   7.539  -2.945
  529    HA   ILE  94           HA       ILE  94  -1.823   8.856  -3.103
  530    HB   ILE  94           HB       ILE  94  -0.191   7.362  -5.125
  531   1HG1  ILE  94          2HG1      ILE  94  -1.032  10.257  -4.851
  532   2HG1  ILE  94          1HG1      ILE  94   0.535   9.600  -4.398
  533   1HG2  ILE  94          3HG2      ILE  94  -2.508   6.932  -5.730
  534   2HG2  ILE  94          2HG2      ILE  94  -2.866   8.657  -5.635
  535   3HG2  ILE  94          1HG2      ILE  94  -1.764   8.053  -6.873
  536   1HD1  ILE  94          3HD1      ILE  94   0.941   9.013  -6.749
  537   2HD1  ILE  94          2HD1      ILE  94  -0.608   9.737  -7.178
  538   3HD1  ILE  94          1HD1      ILE  94   0.682  10.740  -6.516
  539    H    LEU  95           H        LEU  95  -1.235   5.540  -4.313
  540    HA   LEU  95           HA       LEU  95  -3.903   4.838  -4.577
  541   1HB   LEU  95          2HB       LEU  95  -1.523   3.090  -3.954
  542   2HB   LEU  95          1HB       LEU  95  -3.103   2.467  -4.390
  543    HG   LEU  95           HG       LEU  95  -1.275   4.119  -6.134
  544   1HD1  LEU  95          3HD1      LEU  95  -2.229   1.265  -6.324
  545   2HD1  LEU  95          2HD1      LEU  95  -1.272   2.104  -7.544
  546   3HD1  LEU  95          1HD1      LEU  95  -0.592   1.804  -5.945
  547   1HD2  LEU  95          3HD2      LEU  95  -4.062   3.099  -6.667
  548   2HD2  LEU  95          2HD2      LEU  95  -3.556   4.785  -6.559
  549   3HD2  LEU  95          1HD2      LEU  95  -2.982   3.774  -7.886
  550    H    ILE  96           H        ILE  96  -1.870   4.883  -1.751
  551    HA   ILE  96           HA       ILE  96  -3.548   3.330  -0.096
  552    HB   ILE  96           HB       ILE  96  -1.516   5.435   0.651
  553   1HG1  ILE  96          2HG1      ILE  96  -1.243   2.435   0.800
  554   2HG1  ILE  96          1HG1      ILE  96  -0.784   3.348  -0.633
  555   1HG2  ILE  96          3HG2      ILE  96  -2.881   3.368   2.374
  556   2HG2  ILE  96          2HG2      ILE  96  -1.533   4.385   2.879
  557   3HG2  ILE  96          1HG2      ILE  96  -3.084   5.117   2.471
  558   1HD1  ILE  96          1HD1      ILE  96   0.796   4.642   0.750
  559   2HD1  ILE  96          3HD1      ILE  96   0.382   3.617   2.126
  560   3HD1  ILE  96          2HD1      ILE  96   1.156   2.916   0.703
  561    H    ASN  97           H        ASN  97  -3.448   6.714  -0.949
  562    HA   ASN  97           HA       ASN  97  -5.278   7.612   1.033
  563   1HB   ASN  97          2HB       ASN  97  -3.753   9.162  -0.096
  564   2HB   ASN  97          1HB       ASN  97  -4.538   8.832  -1.638
  565   1HD2  ASN  97          1HD2      ASN  97  -4.811  10.410   1.440
  566   2HD2  ASN  97          2HD2      ASN  97  -6.175  11.396   1.042
  567    H    LYS  98           H        LYS  98  -5.590   6.311  -2.209
  568    HA   LYS  98           HA       LYS  98  -8.270   6.981  -2.695
  569   1HB   LYS  98          2HB       LYS  98  -6.426   4.861  -3.720
  570   2HB   LYS  98          1HB       LYS  98  -8.138   4.748  -4.096
  571   1HG   LYS  98          2HG       LYS  98  -7.132   5.844  -5.916
  572   2HG   LYS  98          1HG       LYS  98  -7.974   7.094  -5.000
  573   1HD   LYS  98          2HD       LYS  98  -5.882   7.767  -3.959
  574   2HD   LYS  98          1HD       LYS  98  -5.027   6.476  -4.807
  575   1HE   LYS  98          2HE       LYS  98  -6.423   8.837  -6.065
  576   2HE   LYS  98          1HE       LYS  98  -4.681   8.593  -5.934
  577   1HZ   LYS  98          1HZ       LYS  98  -4.890   6.637  -7.341
  578   2HZ   LYS  98          3HZ       LYS  98  -6.558   6.884  -7.475
  579   3HZ   LYS  98          2HZ       LYS  98  -5.479   8.011  -8.130
  580    H    MET  99           H        MET  99  -6.885   3.950  -1.416
  581    HA   MET  99           HA       MET  99  -9.386   2.769  -0.828
  582   1HB   MET  99          2HB       MET  99  -7.356   1.431  -1.053
  583   2HB   MET  99          1HB       MET  99  -6.658   2.217   0.355
  584   1HG   MET  99          2HG       MET  99  -8.310   1.231   1.792
  585   2HG   MET  99          1HG       MET  99  -9.163   0.554   0.406
  586   1HE   MET  99          2HE       MET  99  -8.412  -1.458  -0.970
  587   2HE   MET  99          1HE       MET  99  -6.931  -0.633  -1.454
  588   3HE   MET  99          3HE       MET  99  -6.858  -2.275  -0.816
  589    H    ARG 100           H        ARG 100  -7.327   4.975   0.916
  590    HA   ARG 100           HA       ARG 100  -8.346   4.637   3.504
  591   1HB   ARG 100          2HB       ARG 100  -6.312   5.938   2.978
  592   2HB   ARG 100          1HB       ARG 100  -7.311   7.175   2.225
  593   1HG   ARG 100          2HG       ARG 100  -8.354   7.678   4.341
  594   2HG   ARG 100          1HG       ARG 100  -7.471   6.364   5.119
  595   1HD   ARG 100          2HD       ARG 100  -5.354   7.501   4.579
  596   2HD   ARG 100          1HD       ARG 100  -6.267   8.830   3.868
  597    HE   ARG 100           HE       ARG 100  -7.269   8.669   6.373
  598   1HH1  ARG 100          1HH1      ARG 100  -4.030   8.898   5.109
  599   2HH1  ARG 100          2HH1      ARG 100  -3.413   9.739   6.491
  600   1HH2  ARG 100          1HH2      ARG 100  -6.465   9.771   8.196
  601   2HH2  ARG 100          2HH2      ARG 100  -4.796  10.232   8.248
  602    H    ASP 101           H        ASP 101  -9.311   6.916   0.946
  603    HA   ASP 101           HA       ASP 101 -11.420   8.116   2.364
  604   1HB   ASP 101          2HB       ASP 101 -10.489   9.122   0.342
  605   2HB   ASP 101          1HB       ASP 101 -11.059   7.764  -0.622
  606    H    SER 102           H        SER 102 -11.408   5.432   0.041
  607    HA   SER 102           HA       SER 102 -12.856   3.729  -0.348
  608   1HB   SER 102          2HB       SER 102 -12.570   3.286   2.060
  609   2HB   SER 102          1HB       SER 102 -13.898   4.389   2.418
  610    HG   SER 102           HG       SER 102 -14.984   2.822   0.761
  611    H    LYS 103           H        LYS 103 -15.133   3.203  -0.785
  612    HA   LYS 103           HA       LYS 103 -16.598   5.632  -1.496
  613   1HB   LYS 103          2HB       LYS 103 -16.953   2.762  -2.378
  614   2HB   LYS 103          1HB       LYS 103 -17.960   4.097  -2.917
  615   1HG   LYS 103          2HG       LYS 103 -14.987   3.887  -3.355
  616   2HG   LYS 103          1HG       LYS 103 -16.225   3.485  -4.546
  617   1HD   LYS 103          2HD       LYS 103 -17.046   5.801  -4.451
  618   2HD   LYS 103          1HD       LYS 103 -15.773   6.192  -3.292
  619   1HE   LYS 103          2HE       LYS 103 -14.081   5.601  -4.962
  620   2HE   LYS 103          1HE       LYS 103 -15.358   5.225  -6.120
  621   1HZ   LYS 103          2HZ       LYS 103 -16.084   7.535  -5.995
  622   2HZ   LYS 103          1HZ       LYS 103 -14.835   7.887  -4.908
  623   3HZ   LYS 103          3HZ       LYS 103 -14.472   7.430  -6.497
  624    H    LEU 104           H        LEU 104 -17.217   5.971   0.758
  625    HA   LEU 104           HA       LEU 104 -19.662   4.480   1.393
  626   1HB   LEU 104          2HB       LEU 104 -17.579   3.793   2.758
  627   2HB   LEU 104          1HB       LEU 104 -17.761   5.346   3.551
  628    HG   LEU 104           HG       LEU 104 -20.065   4.683   4.226
  629   1HD1  LEU 104          1HD1      LEU 104 -19.241   2.005   3.117
  630   2HD1  LEU 104          3HD1      LEU 104 -20.683   2.316   4.084
  631   3HD1  LEU 104          2HD1      LEU 104 -20.516   3.051   2.490
  632   1HD2  LEU 104          1HD2      LEU 104 -17.848   2.842   5.113
  633   2HD2  LEU 104          3HD2      LEU 104 -18.196   4.442   5.766
  634   3HD2  LEU 104          2HD2      LEU 104 -19.356   3.131   5.980
  635    H    GLU 105           H        GLU 105 -17.677   7.329   2.142
  636    HA   GLU 105           HA       GLU 105 -19.889   8.815   3.201
  637   1HB   GLU 105          2HB       GLU 105 -17.522   9.180   3.893
  638   2HB   GLU 105          1HB       GLU 105 -17.187   9.822   2.291
  639   1HG   GLU 105          2HG       GLU 105 -17.492  11.653   3.773
  640   2HG   GLU 105          1HG       GLU 105 -18.893  11.579   2.706
  641    H    TRP 106           H        TRP 106 -21.506   9.106   1.734
  642    HA   TRP 106           HA       TRP 106 -20.834  10.688  -0.632
  643   1HB   TRP 106          2HB       TRP 106 -22.789   9.360  -1.748
  644   2HB   TRP 106          1HB       TRP 106 -21.168   8.687  -1.702
  645    HD1  TRP 106           HD1      TRP 106 -23.844   8.557   1.117
  646    HE1  TRP 106           HE1      TRP 106 -24.242   6.085   1.705
  647    HE3  TRP 106           HE3      TRP 106 -20.830   6.383  -2.399
  648    HZ2  TRP 106           HZ2      TRP 106 -23.397   3.551   0.801
  649    HZ3  TRP 106           HZ3      TRP 106 -20.685   3.929  -2.469
  650    HH2  TRP 106           HH2      TRP 106 -21.943   2.543  -0.901
  651    H    LYS 107           H        LYS 107 -24.040   9.658  -0.347
  652    HA   LYS 107           HA       LYS 107 -24.820  12.211   0.879
  653   1HB   LYS 107          2HB       LYS 107 -26.735  12.294  -0.701
  654   2HB   LYS 107          1HB       LYS 107 -25.174  12.428  -1.498
  655   1HG   LYS 107          2HG       LYS 107 -25.300  10.048  -2.102
  656   2HG   LYS 107          1HG       LYS 107 -26.895   9.961  -1.351
  657   1HD   LYS 107          2HD       LYS 107 -27.742  11.617  -2.926
  658   2HD   LYS 107          1HD       LYS 107 -26.141  11.754  -3.659
  659   1HE   LYS 107          2HE       LYS 107 -26.245   9.396  -4.312
  660   2HE   LYS 107          1HE       LYS 107 -27.844   9.264  -3.583
  661   1HZ   LYS 107          3HZ       LYS 107 -28.648  10.921  -5.163
  662   2HZ   LYS 107          2HZ       LYS 107 -27.115  11.008  -5.874
  663   3HZ   LYS 107          1HZ       LYS 107 -28.007   9.573  -5.961
  664    H    ASP 108           H        ASP 108 -26.627  12.196   2.190
  665    HA   ASP 108           HA       ASP 108 -28.019   9.647   2.577
  666   1HB   ASP 108          2HB       ASP 108 -26.239   9.688   4.255
  667   2HB   ASP 108          1HB       ASP 108 -26.773  11.273   4.806

  No H/Q in entry =         667
  Start of MODEL    7
    1    H1   GLY  24          2H        GLY  24  -3.845 -14.894  -5.051
    2    H2   GLY  24          1H        GLY  24  -4.689 -13.846  -4.026
    3    H3   GLY  24          3H        GLY  24  -3.622 -14.987  -3.377
    4   1HA   GLY  24          2HA       GLY  24  -5.920 -15.681  -3.079
    5   2HA   GLY  24          1HA       GLY  24  -5.022 -16.794  -4.099
    6    H    SER  25           H        SER  25  -7.132 -17.480  -4.857
    7    HA   SER  25           HA       SER  25  -7.986 -15.862  -7.134
    8   1HB   SER  25          2HB       SER  25  -8.644 -18.726  -6.407
    9   2HB   SER  25          1HB       SER  25  -9.133 -17.909  -7.891
   10    HG   SER  25           HG       SER  25  -7.148 -19.258  -7.937
   11    H    HIS  26           H        HIS  26  -8.870 -16.315  -3.971
   12    HA   HIS  26           HA       HIS  26 -11.732 -15.919  -4.497
   13   1HB   HIS  26          2HB       HIS  26 -10.321 -16.577  -1.902
   14   2HB   HIS  26          1HB       HIS  26 -12.063 -16.441  -2.117
   15    HD1  HIS  26           HD1      HIS  26 -13.267 -18.385  -3.325
   16    HD2  HIS  26           HD2      HIS  26  -9.179 -18.954  -2.839
   17    HE1  HIS  26           HE1      HIS  26 -12.860 -20.814  -3.839
   18    HE2  HIS  26           HE2      HIS  26 -10.380 -21.139  -3.530
   19    H    MET  27           H        MET  27 -12.882 -14.270  -3.329
   20    HA   MET  27           HA       MET  27 -11.226 -11.887  -2.890
   21   1HB   MET  27          2HB       MET  27 -14.191 -12.159  -3.418
   22   2HB   MET  27          1HB       MET  27 -13.355 -10.635  -3.162
   23   1HG   MET  27          2HG       MET  27 -12.037 -10.982  -5.158
   24   2HG   MET  27          1HG       MET  27 -12.779 -12.563  -5.398
   25   1HE   MET  27          3HE       MET  27 -13.300 -11.843  -7.882
   26   2HE   MET  27          2HE       MET  27 -14.293 -10.455  -8.329
   27   3HE   MET  27          1HE       MET  27 -12.684 -10.206  -7.652
   28    H    ASN  28           H        ASN  28 -11.601 -14.047  -0.923
   29    HA   ASN  28           HA       ASN  28 -13.422 -13.364   1.083
   30   1HB   ASN  28          2HB       ASN  28 -12.003 -14.712   2.581
   31   2HB   ASN  28          1HB       ASN  28 -12.275 -15.519   1.040
   32   1HD2  ASN  28          1HD2      ASN  28 -10.149 -15.895   2.989
   33   2HD2  ASN  28          2HD2      ASN  28  -8.668 -15.611   2.146
   34    H    ASN  29           H        ASN  29 -10.541 -11.810   0.108
   35    HA   ASN  29           HA       ASN  29 -10.132 -10.472   2.656
   36   1HB   ASN  29          2HB       ASN  29  -8.218  -9.411   1.579
   37   2HB   ASN  29          1HB       ASN  29  -8.179 -11.149   1.303
   38   1HD2  ASN  29          1HD2      ASN  29  -8.608 -11.953  -0.755
   39   2HD2  ASN  29          2HD2      ASN  29  -8.547 -10.948  -2.160
   40    H    GLU  30           H        GLU  30 -10.804  -8.466   3.154
   41    HA   GLU  30           HA       GLU  30 -11.791  -6.719   1.022
   42   1HB   GLU  30          2HB       GLU  30 -13.743  -7.956   1.898
   43   2HB   GLU  30          1HB       GLU  30 -13.375  -7.371   3.515
   44   1HG   GLU  30          2HG       GLU  30 -15.166  -6.081   2.539
   45   2HG   GLU  30          1HG       GLU  30 -13.737  -5.072   2.762
   46    H    ASP  31           H        ASP  31 -11.864  -6.686   4.586
   47    HA   ASP  31           HA       ASP  31 -11.080  -3.959   4.725
   48   1HB   ASP  31          2HB       ASP  31 -11.085  -6.077   6.887
   49   2HB   ASP  31          1HB       ASP  31 -10.946  -4.340   7.153
   50    H    PHE  32           H        PHE  32  -9.118  -3.135   4.502
   51    HA   PHE  32           HA       PHE  32  -6.813  -4.742   4.174
   52   1HB   PHE  32          2HB       PHE  32  -5.589  -2.579   4.116
   53   2HB   PHE  32          1HB       PHE  32  -6.974  -2.622   3.033
   54    HD1  PHE  32           HD1      PHE  32  -5.589  -1.174   6.092
   55    HD2  PHE  32           HD2      PHE  32  -8.915  -1.246   3.437
   56    HE1  PHE  32           HE1      PHE  32  -6.446   0.891   7.118
   57    HE2  PHE  32           HE2      PHE  32  -9.778   0.820   4.458
   58    HZ   PHE  32           HZ       PHE  32  -8.543   1.892   6.300
   59    H    SER  33           H        SER  33  -8.384  -3.651   6.954
   60    HA   SER  33           HA       SER  33  -6.112  -3.310   8.650
   61   1HB   SER  33          2HB       SER  33  -9.002  -3.879   9.354
   62   2HB   SER  33          1HB       SER  33  -7.755  -3.370  10.492
   63    HG   SER  33           HG       SER  33  -8.987  -1.599   9.773
   64    H    GLN  34           H        GLN  34  -7.658  -6.027   7.336
   65    HA   GLN  34           HA       GLN  34  -6.618  -7.790   9.445
   66   1HB   GLN  34          2HB       GLN  34  -8.590  -8.362   7.228
   67   2HB   GLN  34          1HB       GLN  34  -8.055  -9.527   8.432
   68   1HG   GLN  34          2HG       GLN  34  -9.050  -8.201  10.197
   69   2HG   GLN  34          1HG       GLN  34  -9.526  -6.971   9.029
   70   1HE2  GLN  34          1HE2      GLN  34 -10.143 -10.163  10.249
   71   2HE2  GLN  34          2HE2      GLN  34 -11.679 -10.379   9.489
   72    H    TRP  35           H        TRP  35  -5.666  -6.522   6.574
   73    HA   TRP  35           HA       TRP  35  -4.634  -8.800   5.224
   74   1HB   TRP  35          2HB       TRP  35  -3.992  -5.858   5.049
   75   2HB   TRP  35          1HB       TRP  35  -3.189  -7.062   4.049
   76    HD1  TRP  35           HD1      TRP  35  -6.769  -7.949   4.511
   77    HE1  TRP  35           HE1      TRP  35  -8.115  -7.326   2.407
   78    HE3  TRP  35           HE3      TRP  35  -3.278  -5.069   2.136
   79    HZ2  TRP  35           HZ2      TRP  35  -7.745  -5.815   0.051
   80    HZ3  TRP  35           HZ3      TRP  35  -3.852  -4.072  -0.040
   81    HH2  TRP  35           HH2      TRP  35  -6.040  -4.439  -1.060
   82    H    SER  36           H        SER  36  -2.385  -9.330   4.926
   83    HA   SER  36           HA       SER  36  -0.766  -8.792   7.328
   84   1HB   SER  36          2HB       SER  36  -1.463 -11.146   7.162
   85   2HB   SER  36          1HB       SER  36  -0.756 -11.245   5.550
   86    HG   SER  36           HG       SER  36   0.940 -10.332   7.528
   87    H    VAL  37           H        VAL  37   1.674  -9.281   6.786
   88    HA   VAL  37           HA       VAL  37   2.637  -7.283   5.164
   89    HB   VAL  37           HB       VAL  37   3.933  -9.858   6.041
   90   1HG1  VAL  37          2HG1      VAL  37   5.194  -7.586   4.508
   91   2HG1  VAL  37          1HG1      VAL  37   6.092  -8.854   5.344
   92   3HG1  VAL  37          3HG1      VAL  37   5.043  -9.265   3.987
   93   1HG2  VAL  37          3HG2      VAL  37   3.427  -8.199   7.769
   94   2HG2  VAL  37          2HG2      VAL  37   5.167  -8.390   7.546
   95   3HG2  VAL  37          1HG2      VAL  37   4.340  -6.987   6.870
   96    H    ASP  38           H        ASP  38   1.891 -10.618   4.289
   97    HA   ASP  38           HA       ASP  38   3.040 -10.571   1.712
   98   1HB   ASP  38          2HB       ASP  38   2.465 -12.670   2.794
   99   2HB   ASP  38          1HB       ASP  38   0.760 -12.233   2.802
  100    H    ASP  39           H        ASP  39  -0.278  -9.949   2.822
  101    HA   ASP  39           HA       ASP  39  -1.369  -9.472   0.264
  102   1HB   ASP  39          2HB       ASP  39  -2.277  -8.476   2.973
  103   2HB   ASP  39          1HB       ASP  39  -3.237  -8.402   1.498
  104    H    VAL  40           H        VAL  40   0.199  -7.366   2.606
  105    HA   VAL  40           HA       VAL  40  -0.467  -4.916   1.348
  106    HB   VAL  40           HB       VAL  40   1.869  -5.540   3.161
  107   1HG1  VAL  40          2HG1      VAL  40   0.633  -2.902   2.379
  108   2HG1  VAL  40          1HG1      VAL  40   1.876  -3.121   3.612
  109   3HG1  VAL  40          3HG1      VAL  40   2.234  -3.484   1.923
  110   1HG2  VAL  40          2HG2      VAL  40  -0.272  -6.052   4.205
  111   2HG2  VAL  40          1HG2      VAL  40   0.451  -4.621   4.938
  112   3HG2  VAL  40          3HG2      VAL  40  -0.873  -4.449   3.786
  113    H    ILE  41           H        ILE  41   2.418  -6.989   1.176
  114    HA   ILE  41           HA       ILE  41   3.935  -5.359  -0.526
  115    HB   ILE  41           HB       ILE  41   3.961  -8.364  -0.214
  116   1HG1  ILE  41          2HG1      ILE  41   5.858  -6.281   0.886
  117   2HG1  ILE  41          1HG1      ILE  41   4.509  -6.949   1.797
  118   1HG2  ILE  41          2HG2      ILE  41   5.931  -6.553  -1.605
  119   2HG2  ILE  41          1HG2      ILE  41   6.211  -8.254  -1.235
  120   3HG2  ILE  41          3HG2      ILE  41   4.927  -7.795  -2.354
  121   1HD1  ILE  41          1HD1      ILE  41   5.497  -9.184   1.579
  122   2HD1  ILE  41          3HD1      ILE  41   6.865  -8.478   0.721
  123   3HD1  ILE  41          2HD1      ILE  41   6.566  -8.050   2.405
  124    H    THR  42           H        THR  42   1.947  -8.204  -1.356
  125    HA   THR  42           HA       THR  42   2.236  -8.215  -4.078
  126    HB   THR  42           HB       THR  42  -0.333  -8.769  -2.578
  127    HG1  THR  42           HG1      THR  42   0.446 -10.878  -2.467
  128   1HG2  THR  42          3HG2      THR  42   0.603  -9.614  -5.322
  129   2HG2  THR  42          2HG2      THR  42  -0.812 -10.273  -4.499
  130   3HG2  THR  42          1HG2      THR  42  -0.767  -8.567  -4.945
  131    H    TRP  43           H        TRP  43  -0.248  -6.424  -2.252
  132    HA   TRP  43           HA       TRP  43  -1.332  -5.139  -4.536
  133   1HB   TRP  43          2HB       TRP  43  -2.607  -5.417  -2.457
  134   2HB   TRP  43          1HB       TRP  43  -1.486  -4.349  -1.619
  135    HD1  TRP  43           HD1      TRP  43  -4.382  -4.298  -4.108
  136    HE1  TRP  43           HE1      TRP  43  -5.235  -1.880  -4.334
  137    HE3  TRP  43           HE3      TRP  43  -0.741  -1.897  -1.437
  138    HZ2  TRP  43           HZ2      TRP  43  -4.467   0.702  -3.492
  139    HZ3  TRP  43           HZ3      TRP  43  -0.875   0.550  -1.198
  140    HH2  TRP  43           HH2      TRP  43  -2.700   1.819  -2.205
  141    H    CYS  44           H        CYS  44   1.306  -4.416  -2.390
  142    HA   CYS  44           HA       CYS  44   1.565  -1.662  -3.074
  143   1HB   CYS  44          2HB       CYS  44   2.493  -2.502  -0.992
  144   2HB   CYS  44          1HB       CYS  44   3.546  -3.606  -1.871
  145    HG   CYS  44           HG       CYS  44   4.976  -1.451  -3.099
  146    H    ILE  45           H        ILE  45   2.275  -4.527  -4.722
  147    HA   ILE  45           HA       ILE  45   4.100  -3.089  -6.547
  148    HB   ILE  45           HB       ILE  45   3.959  -6.072  -6.116
  149   1HG1  ILE  45          2HG1      ILE  45   6.071  -4.147  -5.128
  150   2HG1  ILE  45          1HG1      ILE  45   4.769  -4.777  -4.123
  151   1HG2  ILE  45          2HG2      ILE  45   4.742  -5.426  -8.324
  152   2HG2  ILE  45          1HG2      ILE  45   5.943  -4.355  -7.600
  153   3HG2  ILE  45          3HG2      ILE  45   6.062  -6.099  -7.367
  154   1HD1  ILE  45          2HD1      ILE  45   5.602  -7.047  -4.487
  155   2HD1  ILE  45          1HD1      ILE  45   6.916  -6.399  -5.468
  156   3HD1  ILE  45          3HD1      ILE  45   6.819  -6.004  -3.751
  157    H    SER  46           H        SER  46   1.082  -4.642  -6.233
  158    HA   SER  46           HA       SER  46   0.759  -5.701  -8.816
  159   1HB   SER  46          2HB       SER  46  -1.247  -4.727  -6.782
  160   2HB   SER  46          1HB       SER  46  -1.723  -5.456  -8.316
  161    HG   SER  46           HG       SER  46  -1.381  -6.807  -6.262
  162    H    THR  47           H        THR  47  -0.766  -2.714  -7.570
  163    HA   THR  47           HA       THR  47  -0.683  -1.676 -10.328
  164    HB   THR  47           HB       THR  47  -2.965  -2.047  -9.522
  165    HG1  THR  47           HG1      THR  47  -2.060   0.111 -10.617
  166   1HG2  THR  47          1HG2      THR  47  -2.250  -0.070  -7.357
  167   2HG2  THR  47          3HG2      THR  47  -3.864  -0.705  -7.674
  168   3HG2  THR  47          2HG2      THR  47  -2.584  -1.786  -7.127
  169    H    LEU  48           H        LEU  48   1.447  -1.360  -8.268
  170    HA   LEU  48           HA       LEU  48   1.210   1.479  -7.623
  171   1HB   LEU  48          2HB       LEU  48   2.081  -0.347  -6.019
  172   2HB   LEU  48          1HB       LEU  48   3.570  -0.234  -6.939
  173    HG   LEU  48           HG       LEU  48   3.333   2.336  -6.422
  174   1HD1  LEU  48          1HD1      LEU  48   1.073   1.531  -5.188
  175   2HD1  LEU  48          3HD1      LEU  48   2.210   1.489  -3.840
  176   3HD1  LEU  48          2HD1      LEU  48   1.976   2.979  -4.755
  177   1HD2  LEU  48          2HD2      LEU  48   5.168   0.859  -5.702
  178   2HD2  LEU  48          1HD2      LEU  48   4.732   2.046  -4.473
  179   3HD2  LEU  48          3HD2      LEU  48   4.205   0.371  -4.308
  180    H    GLU  49           H        GLU  49   3.963  -0.479  -8.811
  181    HA   GLU  49           HA       GLU  49   4.342   1.464 -10.956
  182   1HB   GLU  49          2HB       GLU  49   6.350   0.882  -8.798
  183   2HB   GLU  49          1HB       GLU  49   6.838   1.493 -10.373
  184   1HG   GLU  49          2HG       GLU  49   4.874   2.861  -8.548
  185   2HG   GLU  49          1HG       GLU  49   6.592   3.247  -8.647
  186    H    VAL  50           H        VAL  50   6.436  -1.080  -9.615
  187    HA   VAL  50           HA       VAL  50   6.581  -2.256 -12.304
  188    HB   VAL  50           HB       VAL  50   8.631  -3.374 -11.521
  189   1HG1  VAL  50          2HG1      VAL  50   8.595  -0.395 -11.050
  190   2HG1  VAL  50          1HG1      VAL  50  10.033  -1.369 -11.355
  191   3HG1  VAL  50          3HG1      VAL  50   8.799  -1.203 -12.605
  192   1HG2  VAL  50          3HG2      VAL  50   8.154  -1.841  -8.965
  193   2HG2  VAL  50          2HG2      VAL  50   8.079  -3.592  -9.162
  194   3HG2  VAL  50          1HG2      VAL  50   9.615  -2.746  -9.360
  195    H    GLU  51           H        GLU  51   7.492  -4.740 -11.794
  196    HA   GLU  51           HA       GLU  51   5.141  -6.058 -10.638
  197   1HB   GLU  51          2HB       GLU  51   5.964  -8.058 -11.863
  198   2HB   GLU  51          1HB       GLU  51   5.637  -6.691 -12.920
  199   1HG   GLU  51          2HG       GLU  51   7.921  -6.243 -13.226
  200   2HG   GLU  51          1HG       GLU  51   8.388  -7.279 -11.877
  201    H    GLU  52           H        GLU  52   6.029  -8.514  -9.978
  202    HA   GLU  52           HA       GLU  52   7.505  -7.988  -7.560
  203   1HB   GLU  52          2HB       GLU  52   6.424 -10.573  -8.697
  204   2HB   GLU  52          1HB       GLU  52   7.156 -10.408  -7.108
  205   1HG   GLU  52          2HG       GLU  52   4.831 -10.393  -6.771
  206   2HG   GLU  52          1HG       GLU  52   5.365  -8.723  -6.581
  207    H    THR  53           H        THR  53   9.435  -7.270  -8.748
  208    HA   THR  53           HA       THR  53  11.270  -9.504  -9.107
  209    HB   THR  53           HB       THR  53  10.641  -8.974 -11.375
  210    HG1  THR  53           HG1      THR  53  13.213  -8.082 -10.552
  211   1HG2  THR  53          1HG2      THR  53   9.867  -6.691 -10.890
  212   2HG2  THR  53          3HG2      THR  53  11.543  -6.176 -10.748
  213   3HG2  THR  53          2HG2      THR  53  10.931  -6.762 -12.296
  214    H    ASP  54           H        ASP  54  10.758  -6.075  -8.694
  215    HA   ASP  54           HA       ASP  54  13.460  -5.435  -8.053
  216   1HB   ASP  54          2HB       ASP  54  11.869  -3.795  -8.985
  217   2HB   ASP  54          1HB       ASP  54  10.904  -3.903  -7.517
  218    HA   PRO  55           HA       PRO  55  13.664  -6.732  -3.821
  219   1HB   PRO  55          2HB       PRO  55  15.291  -4.302  -3.351
  220   2HB   PRO  55          1HB       PRO  55  15.699  -6.000  -3.086
  221   1HG   PRO  55          2HG       PRO  55  16.759  -4.640  -5.120
  222   2HG   PRO  55          1HG       PRO  55  16.288  -6.341  -5.302
  223   1HD   PRO  55          2HD       PRO  55  14.868  -3.870  -6.218
  224   2HD   PRO  55          1HD       PRO  55  15.079  -5.424  -7.054
  225    H    LEU  56           H        LEU  56  12.068  -3.981  -4.814
  226    HA   LEU  56           HA       LEU  56  11.644  -2.400  -2.613
  227   1HB   LEU  56          2HB       LEU  56  10.694  -1.971  -4.842
  228   2HB   LEU  56          1HB       LEU  56   9.567  -3.294  -4.615
  229    HG   LEU  56           HG       LEU  56   9.122  -1.664  -2.411
  230   1HD1  LEU  56          1HD1      LEU  56  10.462   0.105  -3.420
  231   2HD1  LEU  56          3HD1      LEU  56   9.470   0.037  -4.875
  232   3HD1  LEU  56          2HD1      LEU  56   8.760   0.560  -3.348
  233   1HD2  LEU  56          3HD2      LEU  56   7.446  -2.875  -3.715
  234   2HD2  LEU  56          2HD2      LEU  56   6.997  -1.183  -3.504
  235   3HD2  LEU  56          1HD2      LEU  56   7.654  -1.736  -5.045
  236    H    CYS  57           H        CYS  57  10.219  -5.541  -3.323
  237    HA   CYS  57           HA       CYS  57   8.292  -5.552  -1.265
  238   1HB   CYS  57          2HB       CYS  57   8.233  -7.991  -1.604
  239   2HB   CYS  57          1HB       CYS  57   8.190  -7.118  -3.130
  240    HG   CYS  57           HG       CYS  57  11.285  -7.564  -2.823
  241    H    GLN  58           H        GLN  58  11.684  -6.492  -1.337
  242    HA   GLN  58           HA       GLN  58  11.740  -7.782   1.176
  243   1HB   GLN  58          2HB       GLN  58  13.500  -8.081  -0.503
  244   2HB   GLN  58          1HB       GLN  58  13.973  -6.398  -0.321
  245   1HG   GLN  58          2HG       GLN  58  15.505  -7.801   0.880
  246   2HG   GLN  58          1HG       GLN  58  14.568  -6.841   2.024
  247   1HE2  GLN  58          1HE2      GLN  58  13.323  -9.642   0.343
  248   2HE2  GLN  58          2HE2      GLN  58  13.194 -10.660   1.732
  249    H    ARG  59           H        ARG  59  12.653  -4.474   0.224
  250    HA   ARG  59           HA       ARG  59  13.332  -3.588   2.805
  251   1HB   ARG  59          2HB       ARG  59  12.387  -2.039   0.392
  252   2HB   ARG  59          1HB       ARG  59  13.041  -1.301   1.843
  253   1HG   ARG  59          2HG       ARG  59  14.550  -3.291   0.175
  254   2HG   ARG  59          1HG       ARG  59  14.632  -1.545  -0.075
  255   1HD   ARG  59          2HD       ARG  59  15.369  -3.028   2.444
  256   2HD   ARG  59          1HD       ARG  59  16.485  -2.312   1.285
  257    HE   ARG  59           HE       ARG  59  14.559  -0.526   2.534
  258   1HH1  ARG  59          1HH1      ARG  59  17.816  -1.759   2.426
  259   2HH1  ARG  59          2HH1      ARG  59  18.487  -0.428   3.309
  260   1HH2  ARG  59          1HH2      ARG  59  15.433   1.228   3.699
  261   2HH2  ARG  59          2HH2      ARG  59  17.133   1.270   4.031
  262    H    LEU  60           H        LEU  60  10.265  -4.009   1.248
  263    HA   LEU  60           HA       LEU  60   8.855  -2.323   3.131
  264   1HB   LEU  60          2HB       LEU  60   7.908  -2.208   1.018
  265   2HB   LEU  60          1HB       LEU  60   8.123  -3.922   0.715
  266    HG   LEU  60           HG       LEU  60   6.321  -4.382   2.364
  267   1HD1  LEU  60          1HD1      LEU  60   5.979  -1.389   2.277
  268   2HD1  LEU  60          3HD1      LEU  60   4.828  -2.523   2.984
  269   3HD1  LEU  60          2HD1      LEU  60   6.440  -2.354   3.678
  270   1HD2  LEU  60          3HD2      LEU  60   5.594  -2.624   0.026
  271   2HD2  LEU  60          2HD2      LEU  60   5.850  -4.368  -0.015
  272   3HD2  LEU  60          1HD2      LEU  60   4.487  -3.698   0.880
  273    H    ARG  61           H        ARG  61   9.569  -5.696   2.634
  274    HA   ARG  61           HA       ARG  61   7.605  -6.704   4.448
  275   1HB   ARG  61          2HB       ARG  61   8.503  -8.085   2.639
  276   2HB   ARG  61          1HB       ARG  61  10.110  -7.985   3.342
  277   1HG   ARG  61          2HG       ARG  61   9.368  -9.215   5.292
  278   2HG   ARG  61          1HG       ARG  61   7.723  -9.263   4.655
  279   1HD   ARG  61          2HD       ARG  61   8.478 -10.569   2.750
  280   2HD   ARG  61          1HD       ARG  61  10.143 -10.477   3.324
  281    HE   ARG  61           HE       ARG  61   8.381 -11.619   5.263
  282   1HH1  ARG  61          1HH1      ARG  61  10.227 -12.301   2.386
  283   2HH1  ARG  61          2HH1      ARG  61  10.395 -13.987   2.740
  284   1HH2  ARG  61          1HH2      ARG  61   8.600 -13.835   5.736
  285   2HH2  ARG  61          2HH2      ARG  61   9.471 -14.860   4.644
  286    H    GLU  62           H        GLU  62  10.881  -5.554   4.720
  287    HA   GLU  62           HA       GLU  62  11.668  -6.710   7.121
  288   1HB   GLU  62          2HB       GLU  62  13.124  -5.342   5.634
  289   2HB   GLU  62          1HB       GLU  62  12.284  -3.900   6.187
  290   1HG   GLU  62          2HG       GLU  62  13.039  -4.361   8.478
  291   2HG   GLU  62          1HG       GLU  62  13.920  -5.769   7.886
  292    H    ASN  63           H        ASN  63  10.292  -3.439   6.731
  293    HA   ASN  63           HA       ASN  63   9.695  -3.263   9.533
  294   1HB   ASN  63          2HB       ASN  63   8.918  -1.466   7.225
  295   2HB   ASN  63          1HB       ASN  63   8.637  -1.097   8.925
  296   1HD2  ASN  63          1HD2      ASN  63  11.010  -1.417   6.411
  297   2HD2  ASN  63          2HD2      ASN  63  12.306  -0.650   7.257
  298    H    ASP  64           H        ASP  64   8.302  -4.969   9.966
  299    HA   ASP  64           HA       ASP  64   6.017  -5.683   8.566
  300   1HB   ASP  64          2HB       ASP  64   7.038  -6.975  10.443
  301   2HB   ASP  64          1HB       ASP  64   6.372  -5.797  11.568
  302    H    ILE  65           H        ILE  65   4.630  -4.139   7.884
  303    HA   ILE  65           HA       ILE  65   3.307  -2.516   9.959
  304    HB   ILE  65           HB       ILE  65   3.945  -1.660   7.131
  305   1HG1  ILE  65          2HG1      ILE  65   5.882  -1.561   8.640
  306   2HG1  ILE  65          1HG1      ILE  65   5.343   0.054   8.195
  307   1HG2  ILE  65          3HG2      ILE  65   2.433  -0.228   9.309
  308   2HG2  ILE  65          2HG2      ILE  65   2.952   0.502   7.791
  309   3HG2  ILE  65          1HG2      ILE  65   1.781  -0.816   7.780
  310   1HD1  ILE  65          1HD1      ILE  65   4.206   0.252  10.356
  311   2HD1  ILE  65          3HD1      ILE  65   4.786  -1.353  10.797
  312   3HD1  ILE  65          2HD1      ILE  65   5.936  -0.042  10.536
  313    H    VAL  66           H        VAL  66   1.254  -3.092  10.175
  314    HA   VAL  66           HA       VAL  66  -0.101  -4.729   8.280
  315    HB   VAL  66           HB       VAL  66  -0.510  -4.754  10.755
  316   1HG1  VAL  66          2HG1      VAL  66  -0.573  -2.350  11.135
  317   2HG1  VAL  66          1HG1      VAL  66  -2.047  -2.228  10.175
  318   3HG1  VAL  66          3HG1      VAL  66  -2.058  -3.117  11.698
  319   1HG2  VAL  66          1HG2      VAL  66  -2.048  -5.794   9.121
  320   2HG2  VAL  66          3HG2      VAL  66  -2.861  -5.241  10.585
  321   3HG2  VAL  66          2HG2      VAL  66  -2.985  -4.300   9.098
  322    H    GLY  67           H        GLY  67  -2.271  -4.156   7.388
  323   1HA   GLY  67          1HA       GLY  67  -3.552  -2.874   5.982
  324   2HA   GLY  67          2HA       GLY  67  -2.095  -1.943   5.679
  325    H    ASP  68           H        ASP  68  -3.471  -2.248   8.872
  326    HA   ASP  68           HA       ASP  68  -5.048   0.117   8.794
  327   1HB   ASP  68          2HB       ASP  68  -5.440  -1.700  10.415
  328   2HB   ASP  68          1HB       ASP  68  -3.892  -1.345  11.178
  329    H    LEU  69           H        LEU  69  -1.696  -0.468   9.162
  330    HA   LEU  69           HA       LEU  69  -1.249   2.195  10.309
  331   1HB   LEU  69          2HB       LEU  69   0.324  -0.330  10.240
  332   2HB   LEU  69          1HB       LEU  69   1.203   1.184  10.305
  333    HG   LEU  69           HG       LEU  69   0.222   1.761  12.411
  334   1HD1  LEU  69          1HD1      LEU  69  -1.483  -0.708  12.121
  335   2HD1  LEU  69          3HD1      LEU  69  -1.407   0.331  13.542
  336   3HD1  LEU  69          2HD1      LEU  69  -2.044   0.960  12.024
  337   1HD2  LEU  69          3HD2      LEU  69   2.116   0.189  12.434
  338   2HD2  LEU  69          2HD2      LEU  69   1.041  -0.029  13.815
  339   3HD2  LEU  69          1HD2      LEU  69   0.975  -1.156  12.459
  340    H    LEU  70           H        LEU  70  -1.667   1.024   7.352
  341    HA   LEU  70           HA       LEU  70   0.604   1.798   5.900
  342   1HB   LEU  70          2HB       LEU  70  -2.292   1.507   5.166
  343   2HB   LEU  70          1HB       LEU  70  -1.126   2.101   3.998
  344    HG   LEU  70           HG       LEU  70  -0.963  -0.574   5.390
  345   1HD1  LEU  70          1HD1      LEU  70  -1.795   0.125   2.578
  346   2HD1  LEU  70          3HD1      LEU  70  -1.558  -1.506   3.205
  347   3HD1  LEU  70          2HD1      LEU  70  -2.846  -0.492   3.854
  348   1HD2  LEU  70          2HD2      LEU  70   0.670   0.630   3.159
  349   2HD2  LEU  70          1HD2      LEU  70   1.226   0.274   4.795
  350   3HD2  LEU  70          3HD2      LEU  70   0.776  -1.042   3.709
  351    HA   PRO  71           HA       PRO  71  -1.382   6.127   5.368
  352   1HB   PRO  71          2HB       PRO  71  -3.525   6.836   6.816
  353   2HB   PRO  71          1HB       PRO  71  -3.687   5.916   5.314
  354   1HG   PRO  71          2HG       PRO  71  -3.769   4.948   8.146
  355   2HG   PRO  71          1HG       PRO  71  -4.809   4.503   6.782
  356   1HD   PRO  71          2HD       PRO  71  -2.700   2.986   7.640
  357   2HD   PRO  71          1HD       PRO  71  -3.302   2.980   5.971
  358    H    GLU  72           H        GLU  72  -0.631   4.587   8.235
  359    HA   GLU  72           HA       GLU  72  -0.379   7.008   9.834
  360   1HB   GLU  72          2HB       GLU  72   0.369   4.157  10.506
  361   2HB   GLU  72          1HB       GLU  72   0.321   5.507  11.632
  362   1HG   GLU  72          2HG       GLU  72  -2.031   4.323  10.174
  363   2HG   GLU  72          1HG       GLU  72  -1.634   4.099  11.877
  364    H    LEU  73           H        LEU  73   1.296   6.132   7.361
  365    HA   LEU  73           HA       LEU  73   3.918   6.629   8.613
  366   1HB   LEU  73          2HB       LEU  73   3.357   5.066   6.092
  367   2HB   LEU  73          1HB       LEU  73   4.942   5.376   6.775
  368    HG   LEU  73           HG       LEU  73   2.775   3.752   8.111
  369   1HD1  LEU  73          3HD1      LEU  73   5.270   2.899   6.654
  370   2HD1  LEU  73          2HD1      LEU  73   4.240   1.835   7.612
  371   3HD1  LEU  73          1HD1      LEU  73   3.604   2.604   6.158
  372   1HD2  LEU  73          2HD2      LEU  73   5.662   4.207   8.855
  373   2HD2  LEU  73          1HD2      LEU  73   4.256   4.846   9.707
  374   3HD2  LEU  73          3HD2      LEU  73   4.549   3.107   9.668
  375    H    CYS  74           H        CYS  74   5.310   8.068   7.598
  376    HA   CYS  74           HA       CYS  74   3.997   9.915   5.746
  377   1HB   CYS  74          2HB       CYS  74   6.550  10.231   7.340
  378   2HB   CYS  74          1HB       CYS  74   5.808  11.476   6.342
  379    HG   CYS  74           HG       CYS  74   5.226  10.725   9.481
  380    H    LEU  75           H        LEU  75   5.910  11.086   4.368
  381    HA   LEU  75           HA       LEU  75   6.569   9.237   2.354
  382   1HB   LEU  75          2HB       LEU  75   7.452  12.057   2.907
  383   2HB   LEU  75          1HB       LEU  75   8.079  11.153   1.543
  384    HG   LEU  75           HG       LEU  75   6.285  12.596   0.813
  385   1HD1  LEU  75          1HD1      LEU  75   6.510  10.433  -0.293
  386   2HD1  LEU  75          3HD1      LEU  75   5.392   9.718   0.870
  387   3HD1  LEU  75          2HD1      LEU  75   4.826  10.959  -0.247
  388   1HD2  LEU  75          2HD2      LEU  75   5.108  12.797   2.953
  389   2HD2  LEU  75          1HD2      LEU  75   4.012  12.367   1.639
  390   3HD2  LEU  75          3HD2      LEU  75   4.536  11.137   2.788
  391    H    GLN  76           H        GLN  76   8.100   9.961   5.295
  392    HA   GLN  76           HA       GLN  76  10.760   9.202   4.449
  393   1HB   GLN  76          2HB       GLN  76  10.224  10.888   6.278
  394   2HB   GLN  76          1HB       GLN  76   9.763   9.520   7.280
  395   1HG   GLN  76          2HG       GLN  76  12.466   9.674   6.002
  396   2HG   GLN  76          1HG       GLN  76  12.121  10.479   7.530
  397   1HE2  GLN  76          1HE2      GLN  76  11.685   9.240   9.359
  398   2HE2  GLN  76          2HE2      GLN  76  12.093   7.563   9.447
  399    H    ASP  77           H        ASP  77   8.287   7.863   6.636
  400    HA   ASP  77           HA       ASP  77   9.630   5.441   7.146
  401   1HB   ASP  77          2HB       ASP  77   6.678   6.092   7.279
  402   2HB   ASP  77          1HB       ASP  77   7.414   4.633   7.939
  403    H    CYS  78           H        CYS  78   7.751   6.510   4.452
  404    HA   CYS  78           HA       CYS  78   7.286   3.821   3.459
  405   1HB   CYS  78          2HB       CYS  78   6.691   6.527   2.245
  406   2HB   CYS  78          1HB       CYS  78   6.225   4.984   1.540
  407    HG   CYS  78           HG       CYS  78   4.502   6.803   3.534
  408    H    GLN  79           H        GLN  79   9.389   6.571   2.805
  409    HA   GLN  79           HA       GLN  79  10.476   5.692   0.375
  410   1HB   GLN  79          2HB       GLN  79  10.779   7.971   1.366
  411   2HB   GLN  79          1HB       GLN  79  11.909   7.272   2.517
  412   1HG   GLN  79          2HG       GLN  79  13.387   6.620   0.711
  413   2HG   GLN  79          1HG       GLN  79  12.237   7.237  -0.474
  414   1HE2  GLN  79          1HE2      GLN  79  13.694   8.700  -1.329
  415   2HE2  GLN  79          2HE2      GLN  79  14.189  10.122  -0.481
  416    H    ASP  80           H        ASP  80  11.338   4.980   3.718
  417    HA   ASP  80           HA       ASP  80  13.707   3.534   3.155
  418   1HB   ASP  80          2HB       ASP  80  13.181   4.416   5.397
  419   2HB   ASP  80          1HB       ASP  80  11.829   3.293   5.519
  420    H    LEU  81           H        LEU  81  10.340   2.753   3.089
  421    HA   LEU  81           HA       LEU  81  10.693  -0.099   3.055
  422   1HB   LEU  81          2HB       LEU  81   8.433   1.809   2.865
  423   2HB   LEU  81          1HB       LEU  81   8.194   0.240   2.127
  424    HG   LEU  81           HG       LEU  81   8.365  -0.889   4.185
  425   1HD1  LEU  81          3HD1      LEU  81   9.507   1.661   5.311
  426   2HD1  LEU  81          2HD1      LEU  81   9.032   0.270   6.286
  427   3HD1  LEU  81          1HD1      LEU  81  10.334   0.118   5.105
  428   1HD2  LEU  81          1HD2      LEU  81   6.272   0.359   3.890
  429   2HD2  LEU  81          3HD2      LEU  81   6.706   0.181   5.590
  430   3HD2  LEU  81          2HD2      LEU  81   6.972   1.719   4.769
  431    H    CYS  82           H        CYS  82  11.035   2.384   0.795
  432    HA   CYS  82           HA       CYS  82  10.527   0.599  -1.476
  433   1HB   CYS  82          2HB       CYS  82  11.009   3.586  -1.426
  434   2HB   CYS  82          1HB       CYS  82  10.640   2.634  -2.860
  435    HG   CYS  82           HG       CYS  82   8.228   1.866  -0.969
  436    H    ASP  83           H        ASP  83  12.130   1.306  -3.400
  437    HA   ASP  83           HA       ASP  83  14.618   0.195  -2.756
  438   1HB   ASP  83          2HB       ASP  83  13.719   0.140  -5.026
  439   2HB   ASP  83          1HB       ASP  83  13.842   1.893  -5.139
  440    H    GLY  84           H        GLY  84  13.512   3.513  -2.801
  441   1HA   GLY  84          1HA       GLY  84  16.242   4.479  -2.333
  442   2HA   GLY  84          2HA       GLY  84  15.041   4.741  -1.077
  443    H    ASP  85           H        ASP  85  13.780   4.817  -4.235
  444    HA   ASP  85           HA       ASP  85  14.294   7.578  -4.783
  445   1HB   ASP  85          2HB       ASP  85  13.032   5.335  -6.125
  446   2HB   ASP  85          1HB       ASP  85  12.088   6.808  -6.308
  447    H    LEU  86           H        LEU  86  13.083   9.332  -4.335
  448    HA   LEU  86           HA       LEU  86  11.117   9.158  -2.290
  449   1HB   LEU  86          2HB       LEU  86  12.613  11.089  -2.538
  450   2HB   LEU  86          1HB       LEU  86  11.853  11.484  -4.068
  451    HG   LEU  86           HG       LEU  86   9.696  11.814  -2.830
  452   1HD1  LEU  86          3HD1      LEU  86  11.489  11.590  -0.417
  453   2HD1  LEU  86          2HD1      LEU  86   9.811  12.134  -0.406
  454   3HD1  LEU  86          1HD1      LEU  86  10.197  10.475  -0.864
  455   1HD2  LEU  86          1HD2      LEU  86  12.024  13.542  -2.003
  456   2HD2  LEU  86          3HD2      LEU  86  11.086  13.698  -3.488
  457   3HD2  LEU  86          2HD2      LEU  86  10.324  14.000  -1.926
  458    H    ASN  87           H        ASN  87  10.967   9.837  -5.766
  459    HA   ASN  87           HA       ASN  87   8.278  10.453  -6.003
  460   1HB   ASN  87          2HB       ASN  87  10.059   8.958  -7.935
  461   2HB   ASN  87          1HB       ASN  87   8.480   9.619  -8.345
  462   1HD2  ASN  87          1HD2      ASN  87   8.214  11.855  -8.464
  463   2HD2  ASN  87          2HD2      ASN  87   9.560  12.928  -8.607
  464    H    LYS  88           H        LYS  88   9.844   7.318  -5.758
  465    HA   LYS  88           HA       LYS  88   7.649   5.701  -6.424
  466   1HB   LYS  88          2HB       LYS  88   9.894   4.793  -6.307
  467   2HB   LYS  88          1HB       LYS  88   9.993   5.164  -4.593
  468   1HG   LYS  88          2HG       LYS  88   9.604   2.813  -4.884
  469   2HG   LYS  88          1HG       LYS  88   8.173   3.555  -4.168
  470   1HD   LYS  88          2HD       LYS  88   7.250   2.189  -5.789
  471   2HD   LYS  88          1HD       LYS  88   7.359   3.733  -6.634
  472   1HE   LYS  88          2HE       LYS  88   9.396   1.517  -6.814
  473   2HE   LYS  88          1HE       LYS  88   8.126   1.813  -7.998
  474   1HZ   LYS  88          2HZ       LYS  88   9.091   4.037  -8.350
  475   2HZ   LYS  88          1HZ       LYS  88  10.357   3.643  -7.301
  476   3HZ   LYS  88          3HZ       LYS  88  10.162   2.792  -8.750
  477    H    ALA  89           H        ALA  89   8.779   6.882  -3.265
  478    HA   ALA  89           HA       ALA  89   6.795   5.619  -1.720
  479   1HB   ALA  89          1HB       ALA  89   7.451   7.086   0.065
  480   2HB   ALA  89          2HB       ALA  89   8.225   8.191  -1.071
  481   3HB   ALA  89          3HB       ALA  89   8.894   6.579  -0.815
  482    H    ILE  90           H        ILE  90   6.794   8.578  -3.572
  483    HA   ILE  90           HA       ILE  90   4.548   9.808  -2.400
  484    HB   ILE  90           HB       ILE  90   5.538  10.005  -5.251
  485   1HG1  ILE  90          2HG1      ILE  90   6.025  11.798  -2.860
  486   2HG1  ILE  90          1HG1      ILE  90   7.191  10.659  -3.524
  487   1HG2  ILE  90          2HG2      ILE  90   3.223  10.734  -5.069
  488   2HG2  ILE  90          1HG2      ILE  90   3.646  11.790  -3.722
  489   3HG2  ILE  90          3HG2      ILE  90   4.286  12.116  -5.332
  490   1HD1  ILE  90          1HD1      ILE  90   7.201  11.918  -5.625
  491   2HD1  ILE  90          3HD1      ILE  90   6.061  13.069  -4.927
  492   3HD1  ILE  90          2HD1      ILE  90   7.681  12.910  -4.248
  493    H    LYS  91           H        LYS  91   4.794   7.789  -5.333
  494    HA   LYS  91           HA       LYS  91   2.061   7.648  -5.894
  495   1HB   LYS  91          2HB       LYS  91   4.190   5.563  -6.417
  496   2HB   LYS  91          1HB       LYS  91   2.610   5.620  -7.186
  497   1HG   LYS  91          2HG       LYS  91   4.738   7.738  -7.426
  498   2HG   LYS  91          1HG       LYS  91   4.393   6.492  -8.627
  499   1HD   LYS  91          2HD       LYS  91   2.412   8.562  -7.677
  500   2HD   LYS  91          1HD       LYS  91   3.365   8.688  -9.157
  501   1HE   LYS  91          2HE       LYS  91   1.344   6.547  -8.501
  502   2HE   LYS  91          1HE       LYS  91   1.130   7.869  -9.647
  503   1HZ   LYS  91          2HZ       LYS  91   3.151   5.704  -9.878
  504   2HZ   LYS  91          1HZ       LYS  91   1.709   5.799 -10.758
  505   3HZ   LYS  91          3HZ       LYS  91   2.917   6.961 -10.986
  506    H    PHE  92           H        PHE  92   4.053   5.895  -3.637
  507    HA   PHE  92           HA       PHE  92   2.329   3.772  -3.023
  508   1HB   PHE  92          2HB       PHE  92   4.720   3.937  -2.337
  509   2HB   PHE  92          1HB       PHE  92   4.273   5.180  -1.179
  510    HD1  PHE  92           HD1      PHE  92   4.316   4.440   0.972
  511    HD2  PHE  92           HD2      PHE  92   2.956   1.799  -2.075
  512    HE1  PHE  92           HE1      PHE  92   3.895   2.705   2.667
  513    HE2  PHE  92           HE2      PHE  92   2.532   0.060  -0.386
  514    HZ   PHE  92           HZ       PHE  92   3.002   0.513   1.989
  515    H    LYS  93           H        LYS  93   2.865   6.747  -1.140
  516    HA   LYS  93           HA       LYS  93   0.702   6.435   0.594
  517   1HB   LYS  93          2HB       LYS  93   2.530   8.004   1.005
  518   2HB   LYS  93          1HB       LYS  93   2.019   8.981  -0.364
  519   1HG   LYS  93          2HG       LYS  93   0.030   9.644   0.737
  520   2HG   LYS  93          1HG       LYS  93   0.265   8.452   2.017
  521   1HD   LYS  93          2HD       LYS  93   2.237   9.634   2.790
  522   2HD   LYS  93          1HD       LYS  93   2.087  10.793   1.467
  523   1HE   LYS  93          2HE       LYS  93   0.011  10.353   3.608
  524   2HE   LYS  93          1HE       LYS  93   1.223  11.631   3.636
  525   1HZ   LYS  93          3HZ       LYS  93   0.303  12.498   1.576
  526   2HZ   LYS  93          2HZ       LYS  93  -0.860  11.272   1.552
  527   3HZ   LYS  93          1HZ       LYS  93  -0.884  12.434   2.779
  528    H    ILE  94           H        ILE  94   0.792   7.436  -2.706
  529    HA   ILE  94           HA       ILE  94  -1.616   8.934  -2.756
  530    HB   ILE  94           HB       ILE  94  -0.002   7.581  -4.893
  531   1HG1  ILE  94          2HG1      ILE  94  -0.759  10.478  -4.460
  532   2HG1  ILE  94          1HG1      ILE  94   0.737   9.749  -3.886
  533   1HG2  ILE  94          2HG2      ILE  94  -2.642   8.991  -5.261
  534   2HG2  ILE  94          1HG2      ILE  94  -1.541   8.548  -6.567
  535   3HG2  ILE  94          3HG2      ILE  94  -2.299   7.291  -5.585
  536   1HD1  ILE  94          3HD1      ILE  94  -0.105   9.955  -6.768
  537   2HD1  ILE  94          2HD1      ILE  94   1.048  11.012  -5.954
  538   3HD1  ILE  94          1HD1      ILE  94   1.418   9.300  -6.166
  539    H    LEU  95           H        LEU  95  -1.076   5.744  -4.280
  540    HA   LEU  95           HA       LEU  95  -3.719   5.083  -4.652
  541   1HB   LEU  95          2HB       LEU  95  -1.303   3.368  -4.150
  542   2HB   LEU  95          1HB       LEU  95  -2.881   2.658  -4.439
  543    HG   LEU  95           HG       LEU  95  -2.377   4.575  -6.491
  544   1HD1  LEU  95          2HD1      LEU  95  -0.013   4.307  -5.970
  545   2HD1  LEU  95          1HD1      LEU  95  -0.169   2.558  -6.125
  546   3HD1  LEU  95          3HD1      LEU  95  -0.405   3.593  -7.533
  547   1HD2  LEU  95          2HD2      LEU  95  -2.500   1.560  -6.518
  548   2HD2  LEU  95          1HD2      LEU  95  -3.867   2.663  -6.681
  549   3HD2  LEU  95          3HD2      LEU  95  -2.626   2.606  -7.932
  550    H    ILE  96           H        ILE  96  -1.848   4.995  -1.724
  551    HA   ILE  96           HA       ILE  96  -3.717   3.385  -0.274
  552    HB   ILE  96           HB       ILE  96  -1.472   5.138   0.722
  553   1HG1  ILE  96          2HG1      ILE  96  -1.560   2.128   0.532
  554   2HG1  ILE  96          1HG1      ILE  96  -0.938   3.139  -0.768
  555   1HG2  ILE  96          2HG2      ILE  96  -3.110   3.070   2.185
  556   2HG2  ILE  96          1HG2      ILE  96  -1.677   3.877   2.822
  557   3HG2  ILE  96          3HG2      ILE  96  -3.129   4.811   2.467
  558   1HD1  ILE  96          3HD1      ILE  96   0.132   3.056   2.042
  559   2HD1  ILE  96          2HD1      ILE  96   0.840   2.254   0.640
  560   3HD1  ILE  96          1HD1      ILE  96   0.774   4.014   0.707
  561    H    ASN  97           H        ASN  97  -3.101   6.839  -0.621
  562    HA   ASN  97           HA       ASN  97  -4.802   7.764   1.406
  563   1HB   ASN  97          2HB       ASN  97  -3.128   9.151   0.161
  564   2HB   ASN  97          1HB       ASN  97  -4.213   9.140  -1.225
  565   1HD2  ASN  97          1HD2      ASN  97  -3.227  11.376   0.352
  566   2HD2  ASN  97          2HD2      ASN  97  -4.622  12.192   0.959
  567    H    LYS  98           H        LYS  98  -5.428   7.280  -2.066
  568    HA   LYS  98           HA       LYS  98  -8.173   7.974  -1.915
  569   1HB   LYS  98          2HB       LYS  98  -6.353   6.843  -3.946
  570   2HB   LYS  98          1HB       LYS  98  -8.049   6.424  -4.138
  571   1HG   LYS  98          2HG       LYS  98  -7.473   8.401  -5.431
  572   2HG   LYS  98          1HG       LYS  98  -8.646   8.783  -4.171
  573   1HD   LYS  98          2HD       LYS  98  -6.964  10.521  -4.280
  574   2HD   LYS  98          1HD       LYS  98  -6.811   9.639  -2.760
  575   1HE   LYS  98          2HE       LYS  98  -4.954   8.359  -3.669
  576   2HE   LYS  98          1HE       LYS  98  -5.130   9.175  -5.222
  577   1HZ   LYS  98          1HZ       LYS  98  -4.464  10.524  -2.661
  578   2HZ   LYS  98          3HZ       LYS  98  -3.343  10.116  -3.861
  579   3HZ   LYS  98          2HZ       LYS  98  -4.551  11.255  -4.184
  580    H    MET  99           H        MET  99  -6.412   4.989  -1.460
  581    HA   MET  99           HA       MET  99  -8.527   3.170  -1.723
  582   1HB   MET  99          2HB       MET  99  -6.165   2.495  -1.597
  583   2HB   MET  99          1HB       MET  99  -6.111   2.994   0.089
  584   1HG   MET  99          2HG       MET  99  -7.730   1.292   0.674
  585   2HG   MET  99          1HG       MET  99  -7.872   0.819  -1.017
  586   1HE   MET  99          2HE       MET  99  -7.266  -1.178   1.394
  587   2HE   MET  99          1HE       MET  99  -7.392  -1.734  -0.274
  588   3HE   MET  99          3HE       MET  99  -6.001  -2.198   0.707
  589    H    ARG 100           H        ARG 100  -7.221   4.671   1.242
  590    HA   ARG 100           HA       ARG 100  -9.306   3.637   2.893
  591   1HB   ARG 100          2HB       ARG 100  -7.035   4.237   3.727
  592   2HB   ARG 100          1HB       ARG 100  -7.418   5.931   3.456
  593   1HG   ARG 100          2HG       ARG 100  -9.257   5.762   5.073
  594   2HG   ARG 100          1HG       ARG 100  -8.825   4.076   5.367
  595   1HD   ARG 100          2HD       ARG 100  -6.596   4.798   6.114
  596   2HD   ARG 100          1HD       ARG 100  -7.067   6.478   5.862
  597    HE   ARG 100           HE       ARG 100  -8.700   4.900   7.685
  598   1HH1  ARG 100          1HH1      ARG 100  -6.205   7.295   7.250
  599   2HH1  ARG 100          2HH1      ARG 100  -6.326   7.899   8.869
  600   1HH2  ARG 100          1HH2      ARG 100  -8.862   5.689   9.817
  601   2HH2  ARG 100          2HH2      ARG 100  -7.834   6.986  10.328
  602    H    ASP 101           H        ASP 101  -8.928   6.454   0.926
  603    HA   ASP 101           HA       ASP 101 -10.898   8.063   2.212
  604   1HB   ASP 101          2HB       ASP 101  -9.141   9.025   0.775
  605   2HB   ASP 101          1HB       ASP 101  -9.844   8.213  -0.621
  606    H    SER 102           H        SER 102 -10.965   5.619  -0.288
  607    HA   SER 102           HA       SER 102 -13.520   6.174  -1.336
  608   1HB   SER 102          2HB       SER 102 -12.019   3.548  -1.195
  609   2HB   SER 102          1HB       SER 102 -13.449   3.843  -2.184
  610    HG   SER 102           HG       SER 102 -11.596   4.134  -3.428
  611    H    LYS 103           H        LYS 103 -15.400   6.115  -0.321
  612    HA   LYS 103           HA       LYS 103 -17.096   5.546   1.080
  613   1HB   LYS 103          2HB       LYS 103 -16.925   3.366  -0.013
  614   2HB   LYS 103          1HB       LYS 103 -15.671   2.879   1.120
  615   1HG   LYS 103          2HG       LYS 103 -17.281   3.038   2.960
  616   2HG   LYS 103          1HG       LYS 103 -18.536   3.502   1.812
  617   1HD   LYS 103          2HD       LYS 103 -18.730   1.145   2.316
  618   2HD   LYS 103          1HD       LYS 103 -18.215   1.349   0.641
  619   1HE   LYS 103          2HE       LYS 103 -16.972  -0.441   1.758
  620   2HE   LYS 103          1HE       LYS 103 -15.913   0.881   1.273
  621   1HZ   LYS 103          3HZ       LYS 103 -16.986   0.462   4.011
  622   2HZ   LYS 103          2HZ       LYS 103 -15.415   0.086   3.508
  623   3HZ   LYS 103          1HZ       LYS 103 -15.931   1.697   3.536
  624    H    LEU 104           H        LEU 104 -17.003   6.684   2.919
  625    HA   LEU 104           HA       LEU 104 -15.438   5.561   5.134
  626   1HB   LEU 104          2HB       LEU 104 -14.596   7.775   3.832
  627   2HB   LEU 104          1HB       LEU 104 -15.642   8.508   5.032
  628    HG   LEU 104           HG       LEU 104 -13.355   8.485   5.827
  629   1HD1  LEU 104          2HD1      LEU 104 -15.069   6.477   7.281
  630   2HD1  LEU 104          1HD1      LEU 104 -13.659   7.297   7.950
  631   3HD1  LEU 104          3HD1      LEU 104 -15.088   8.226   7.500
  632   1HD2  LEU 104          2HD2      LEU 104 -12.542   6.593   4.512
  633   2HD2  LEU 104          1HD2      LEU 104 -12.153   6.402   6.222
  634   3HD2  LEU 104          3HD2      LEU 104 -13.484   5.488   5.512
  635    H    GLU 105           H        GLU 105 -17.560   8.400   4.674
  636    HA   GLU 105           HA       GLU 105 -19.388   7.252   6.669
  637   1HB   GLU 105          2HB       GLU 105 -18.383  10.100   6.595
  638   2HB   GLU 105          1HB       GLU 105 -19.680   9.526   7.634
  639   1HG   GLU 105          2HG       GLU 105 -18.094   7.953   8.683
  640   2HG   GLU 105          1HG       GLU 105 -16.805   8.644   7.697
  641    H    TRP 106           H        TRP 106 -19.687   7.184   3.862
  642    HA   TRP 106           HA       TRP 106 -22.151   8.747   3.622
  643   1HB   TRP 106          2HB       TRP 106 -21.516   9.080   1.146
  644   2HB   TRP 106          1HB       TRP 106 -20.747  10.114   2.344
  645    HD1  TRP 106           HD1      TRP 106 -19.962   7.040   0.144
  646    HE1  TRP 106           HE1      TRP 106 -17.417   6.954  -0.226
  647    HE3  TRP 106           HE3      TRP 106 -18.562  10.878   3.219
  648    HZ2  TRP 106           HZ2      TRP 106 -15.121   8.330   0.665
  649    HZ3  TRP 106           HZ3      TRP 106 -16.172  11.430   3.402
  650    HH2  TRP 106           HH2      TRP 106 -14.488  10.181   2.151
  651    H    LYS 107           H        LYS 107 -21.929   6.074   4.324
  652    HA   LYS 107           HA       LYS 107 -22.701   4.616   1.894
  653   1HB   LYS 107          2HB       LYS 107 -20.903   3.607   3.240
  654   2HB   LYS 107          1HB       LYS 107 -21.972   3.563   4.634
  655   1HG   LYS 107          2HG       LYS 107 -23.444   2.009   3.475
  656   2HG   LYS 107          1HG       LYS 107 -22.400   2.070   2.053
  657   1HD   LYS 107          2HD       LYS 107 -20.550   1.164   3.391
  658   2HD   LYS 107          1HD       LYS 107 -21.615   1.080   4.795
  659   1HE   LYS 107          2HE       LYS 107 -22.019  -0.388   2.191
  660   2HE   LYS 107          1HE       LYS 107 -21.387  -1.094   3.677
  661   1HZ   LYS 107          3HZ       LYS 107 -24.090   0.090   3.345
  662   2HZ   LYS 107          2HZ       LYS 107 -23.739  -1.563   3.400
  663   3HZ   LYS 107          1HZ       LYS 107 -23.483  -0.599   4.765
  664    H    ASP 108           H        ASP 108 -24.824   5.147   1.608
  665    HA   ASP 108           HA       ASP 108 -26.663   4.221   3.697
  666   1HB   ASP 108          2HB       ASP 108 -28.173   6.170   3.069
  667   2HB   ASP 108          1HB       ASP 108 -26.735   6.570   4.005

  No H/Q in entry =         667
  Start of MODEL    8
    1    H1   GLY  24          1H        GLY  24 -14.408 -15.472  -9.830
    2    H2   GLY  24          3H        GLY  24 -14.787 -14.052 -10.668
    3    H3   GLY  24          2H        GLY  24 -13.844 -13.982  -9.265
    4   1HA   GLY  24          2HA       GLY  24 -16.693 -14.807  -9.403
    5   2HA   GLY  24          1HA       GLY  24 -16.106 -13.258  -8.815
    6    H    SER  25           H        SER  25 -13.915 -14.057  -7.325
    7    HA   SER  25           HA       SER  25 -15.262 -15.309  -5.055
    8   1HB   SER  25          2HB       SER  25 -13.327 -16.781  -4.610
    9   2HB   SER  25          1HB       SER  25 -14.094 -17.160  -6.153
   10    HG   SER  25           HG       SER  25 -11.716 -16.989  -6.122
   11    H    HIS  26           H        HIS  26 -14.005 -12.659  -6.036
   12    HA   HIS  26           HA       HIS  26 -12.988 -10.860  -5.102
   13   1HB   HIS  26          2HB       HIS  26 -13.372 -12.474  -2.577
   14   2HB   HIS  26          1HB       HIS  26 -12.799 -10.809  -2.601
   15    HD1  HIS  26           HD1      HIS  26 -15.821 -12.748  -2.363
   16    HD2  HIS  26           HD2      HIS  26 -14.804  -9.012  -3.869
   17    HE1  HIS  26           HE1      HIS  26 -17.987 -11.484  -2.544
   18    HE2  HIS  26           HE2      HIS  26 -17.333  -9.191  -3.356
   19    H    MET  27           H        MET  27 -10.984 -10.630  -5.825
   20    HA   MET  27           HA       MET  27  -8.826 -12.009  -4.387
   21   1HB   MET  27          2HB       MET  27  -9.023 -11.676  -7.386
   22   2HB   MET  27          1HB       MET  27  -7.604 -12.269  -6.533
   23   1HG   MET  27          2HG       MET  27  -8.860 -14.187  -5.735
   24   2HG   MET  27          1HG       MET  27 -10.313 -13.584  -6.531
   25   1HE   MET  27          3HE       MET  27  -6.613 -13.490  -7.857
   26   2HE   MET  27          2HE       MET  27  -6.698 -15.055  -7.046
   27   3HE   MET  27          1HE       MET  27  -6.541 -14.979  -8.801
   28    H    ASN  28           H        ASN  28 -10.148  -9.194  -4.741
   29    HA   ASN  28           HA       ASN  28  -7.742  -7.668  -5.415
   30   1HB   ASN  28          2HB       ASN  28 -10.581  -6.738  -4.931
   31   2HB   ASN  28          1HB       ASN  28  -9.238  -5.701  -5.406
   32   1HD2  ASN  28          1HD2      ASN  28 -11.760  -6.244  -6.763
   33   2HD2  ASN  28          2HD2      ASN  28 -11.342  -6.854  -8.324
   34    H    ASN  29           H        ASN  29 -10.311  -7.374  -2.950
   35    HA   ASN  29           HA       ASN  29  -8.215  -6.875  -0.949
   36   1HB   ASN  29          2HB       ASN  29  -9.656  -5.139   0.072
   37   2HB   ASN  29          1HB       ASN  29  -9.141  -4.712  -1.557
   38   1HD2  ASN  29          1HD2      ASN  29 -11.800  -5.687   0.450
   39   2HD2  ASN  29          2HD2      ASN  29 -13.055  -5.305  -0.675
   40    H    GLU  30           H        GLU  30  -8.478  -7.876   0.966
   41    HA   GLU  30           HA       GLU  30 -10.887  -9.530   1.286
   42   1HB   GLU  30          2HB       GLU  30  -8.737 -10.734   1.177
   43   2HB   GLU  30          1HB       GLU  30  -8.164  -9.824   2.568
   44   1HG   GLU  30          2HG       GLU  30  -9.922 -10.814   3.940
   45   2HG   GLU  30          1HG       GLU  30 -10.492 -11.731   2.547
   46    H    ASP  31           H        ASP  31  -8.508  -8.188   3.571
   47    HA   ASP  31           HA       ASP  31 -10.635  -6.750   4.958
   48   1HB   ASP  31          2HB       ASP  31  -8.860  -8.797   6.303
   49   2HB   ASP  31          1HB       ASP  31  -9.900  -7.662   7.157
   50    H    PHE  32           H        PHE  32  -9.711  -4.813   4.443
   51    HA   PHE  32           HA       PHE  32  -7.055  -4.105   4.397
   52   1HB   PHE  32          2HB       PHE  32  -9.079  -2.733   3.691
   53   2HB   PHE  32          1HB       PHE  32  -9.237  -2.265   5.380
   54    HD1  PHE  32           HD1      PHE  32  -7.559  -0.834   6.435
   55    HD2  PHE  32           HD2      PHE  32  -7.340  -1.850   2.308
   56    HE1  PHE  32           HE1      PHE  32  -5.952   0.996   6.074
   57    HE2  PHE  32           HE2      PHE  32  -5.733  -0.024   1.940
   58    HZ   PHE  32           HZ       PHE  32  -5.037   1.401   3.823
   59    H    SER  33           H        SER  33  -9.060  -4.687   7.158
   60    HA   SER  33           HA       SER  33  -7.214  -3.377   8.983
   61   1HB   SER  33          2HB       SER  33  -9.605  -3.156   9.424
   62   2HB   SER  33          1HB       SER  33  -9.768  -4.910   9.515
   63    HG   SER  33           HG       SER  33  -9.066  -4.849  11.491
   64    H    GLN  34           H        GLN  34  -8.005  -6.589   7.871
   65    HA   GLN  34           HA       GLN  34  -6.146  -7.720   9.854
   66   1HB   GLN  34          2HB       GLN  34  -8.351  -9.028   8.261
   67   2HB   GLN  34          1HB       GLN  34  -7.210  -9.913   9.263
   68   1HG   GLN  34          2HG       GLN  34  -9.103  -7.792  10.251
   69   2HG   GLN  34          1HG       GLN  34  -9.361  -9.532  10.379
   70   1HE2  GLN  34          1HE2      GLN  34  -8.105 -10.732  11.811
   71   2HE2  GLN  34          2HE2      GLN  34  -7.208  -9.989  13.087
   72    H    TRP  35           H        TRP  35  -5.466  -6.389   7.249
   73    HA   TRP  35           HA       TRP  35  -4.580  -8.459   5.487
   74   1HB   TRP  35          2HB       TRP  35  -4.301  -5.502   5.619
   75   2HB   TRP  35          1HB       TRP  35  -3.093  -6.378   4.686
   76    HD1  TRP  35           HD1      TRP  35  -6.060  -8.366   4.201
   77    HE1  TRP  35           HE1      TRP  35  -7.315  -7.718   2.052
   78    HE3  TRP  35           HE3      TRP  35  -3.819  -3.863   3.275
   79    HZ2  TRP  35           HZ2      TRP  35  -7.351  -5.586   0.207
   80    HZ3  TRP  35           HZ3      TRP  35  -4.519  -2.585   1.293
   81    HH2  TRP  35           HH2      TRP  35  -6.249  -3.430  -0.209
   82    H    SER  36           H        SER  36  -2.560  -9.313   5.197
   83    HA   SER  36           HA       SER  36  -0.719  -8.972   7.454
   84   1HB   SER  36          2HB       SER  36  -1.549 -11.268   6.931
   85   2HB   SER  36          1HB       SER  36  -0.761 -11.157   5.358
   86    HG   SER  36           HG       SER  36   0.330 -11.551   7.869
   87    H    VAL  37           H        VAL  37   1.659  -9.649   6.584
   88    HA   VAL  37           HA       VAL  37   2.594  -7.407   5.185
   89    HB   VAL  37           HB       VAL  37   3.932 -10.063   5.718
   90   1HG1  VAL  37          2HG1      VAL  37   5.117  -7.503   4.647
   91   2HG1  VAL  37          1HG1      VAL  37   6.052  -8.880   5.231
   92   3HG1  VAL  37          3HG1      VAL  37   5.017  -9.055   3.814
   93   1HG2  VAL  37          1HG2      VAL  37   4.117  -7.376   7.075
   94   2HG2  VAL  37          3HG2      VAL  37   3.396  -8.846   7.732
   95   3HG2  VAL  37          2HG2      VAL  37   5.135  -8.766   7.448
   96    H    ASP  38           H        ASP  38   2.412 -10.803   4.098
   97    HA   ASP  38           HA       ASP  38   3.255 -10.387   1.478
   98   1HB   ASP  38          2HB       ASP  38   2.243 -12.545   0.968
   99   2HB   ASP  38          1HB       ASP  38   3.052 -12.608   2.532
  100    H    ASP  39           H        ASP  39   0.163  -9.767   2.942
  101    HA   ASP  39           HA       ASP  39  -1.337  -9.672   0.515
  102   1HB   ASP  39          2HB       ASP  39  -1.889  -8.589   3.279
  103   2HB   ASP  39          1HB       ASP  39  -3.037  -8.481   1.948
  104    H    VAL  40           H        VAL  40  -0.300  -7.069   2.725
  105    HA   VAL  40           HA       VAL  40  -1.037  -4.933   1.097
  106    HB   VAL  40           HB       VAL  40   1.260  -4.982   3.059
  107   1HG1  VAL  40          2HG1      VAL  40  -0.412  -2.699   2.012
  108   2HG1  VAL  40          1HG1      VAL  40   0.815  -2.578   3.272
  109   3HG1  VAL  40          3HG1      VAL  40   1.280  -3.015   1.628
  110   1HG2  VAL  40          1HG2      VAL  40  -1.665  -4.392   3.505
  111   2HG2  VAL  40          3HG2      VAL  40  -0.775  -5.791   4.106
  112   3HG2  VAL  40          2HG2      VAL  40  -0.385  -4.177   4.698
  113    H    ILE  41           H        ILE  41   1.867  -6.901   1.054
  114    HA   ILE  41           HA       ILE  41   3.412  -5.159  -0.578
  115    HB   ILE  41           HB       ILE  41   3.664  -8.118  -0.059
  116   1HG1  ILE  41          2HG1      ILE  41   5.240  -5.747   0.969
  117   2HG1  ILE  41          1HG1      ILE  41   4.014  -6.622   1.880
  118   1HG2  ILE  41          2HG2      ILE  41   5.557  -6.272  -1.512
  119   2HG2  ILE  41          1HG2      ILE  41   5.932  -7.922  -1.011
  120   3HG2  ILE  41          3HG2      ILE  41   4.669  -7.628  -2.206
  121   1HD1  ILE  41          1HD1      ILE  41   5.383  -8.638   1.780
  122   2HD1  ILE  41          3HD1      ILE  41   6.613  -7.756   0.876
  123   3HD1  ILE  41          2HD1      ILE  41   6.243  -7.298   2.538
  124    H    THR  42           H        THR  42   1.911  -8.293  -1.401
  125    HA   THR  42           HA       THR  42   2.322  -8.290  -4.108
  126    HB   THR  42           HB       THR  42  -0.199  -9.265  -2.750
  127    HG1  THR  42           HG1      THR  42   2.010 -10.023  -2.006
  128   1HG2  THR  42          2HG2      THR  42   1.128 -10.103  -5.332
  129   2HG2  THR  42          1HG2      THR  42  -0.283 -10.872  -4.605
  130   3HG2  THR  42          3HG2      THR  42  -0.385  -9.209  -5.184
  131    H    TRP  43           H        TRP  43  -0.575  -6.985  -2.475
  132    HA   TRP  43           HA       TRP  43  -1.843  -6.026  -4.773
  133   1HB   TRP  43          2HB       TRP  43  -3.019  -6.221  -2.652
  134   2HB   TRP  43          1HB       TRP  43  -1.984  -4.990  -1.934
  135    HD1  TRP  43           HD1      TRP  43  -5.005  -5.411  -4.203
  136    HE1  TRP  43           HE1      TRP  43  -6.067  -3.104  -4.624
  137    HE3  TRP  43           HE3      TRP  43  -1.400  -2.460  -2.098
  138    HZ2  TRP  43           HZ2      TRP  43  -5.453  -0.390  -4.131
  139    HZ3  TRP  43           HZ3      TRP  43  -1.714  -0.019  -2.113
  140    HH2  TRP  43           HH2      TRP  43  -3.700   0.992  -3.109
  141    H    CYS  44           H        CYS  44   0.377  -4.389  -2.544
  142    HA   CYS  44           HA       CYS  44   0.315  -1.836  -3.599
  143   1HB   CYS  44          2HB       CYS  44   1.485  -2.300  -1.543
  144   2HB   CYS  44          1HB       CYS  44   2.624  -3.353  -2.376
  145    HG   CYS  44           HG       CYS  44   2.397  -0.003  -3.017
  146    H    ILE  45           H        ILE  45   2.888  -4.192  -4.300
  147    HA   ILE  45           HA       ILE  45   4.098  -2.854  -6.389
  148    HB   ILE  45           HB       ILE  45   3.829  -5.853  -6.177
  149   1HG1  ILE  45          2HG1      ILE  45   5.912  -4.055  -4.921
  150   2HG1  ILE  45          1HG1      ILE  45   4.566  -4.776  -4.046
  151   1HG2  ILE  45          1HG2      ILE  45   5.932  -4.094  -7.434
  152   2HG2  ILE  45          3HG2      ILE  45   6.026  -5.849  -7.289
  153   3HG2  ILE  45          2HG2      ILE  45   4.769  -5.112  -8.283
  154   1HD1  ILE  45          2HD1      ILE  45   5.427  -7.002  -4.586
  155   2HD1  ILE  45          1HD1      ILE  45   6.789  -6.261  -5.427
  156   3HD1  ILE  45          3HD1      ILE  45   6.597  -6.034  -3.689
  157    H    SER  46           H        SER  46   1.602  -5.387  -6.652
  158    HA   SER  46           HA       SER  46   1.421  -5.419  -9.433
  159   1HB   SER  46          2HB       SER  46  -0.737  -6.531  -9.119
  160   2HB   SER  46          1HB       SER  46   0.461  -7.163  -7.992
  161    HG   SER  46           HG       SER  46  -1.617  -5.312  -7.451
  162    H    THR  47           H        THR  47   0.490  -2.917  -7.341
  163    HA   THR  47           HA       THR  47  -1.160  -1.758  -9.490
  164    HB   THR  47           HB       THR  47  -2.636  -0.717  -7.881
  165    HG1  THR  47           HG1      THR  47  -2.241  -0.741  -5.770
  166   1HG2  THR  47          1HG2      THR  47  -3.234  -2.962  -8.640
  167   2HG2  THR  47          3HG2      THR  47  -2.318  -3.665  -7.308
  168   3HG2  THR  47          2HG2      THR  47  -3.757  -2.699  -6.977
  169    H    LEU  48           H        LEU  48   1.684  -1.416  -7.898
  170    HA   LEU  48           HA       LEU  48   1.489   1.483  -7.617
  171   1HB   LEU  48          2HB       LEU  48   2.634  -0.108  -5.936
  172   2HB   LEU  48          1HB       LEU  48   3.960  -0.124  -7.080
  173    HG   LEU  48           HG       LEU  48   2.923   2.514  -6.146
  174   1HD1  LEU  48          2HD1      LEU  48   3.147   1.227  -4.089
  175   2HD1  LEU  48          1HD1      LEU  48   4.783   0.756  -4.552
  176   3HD1  LEU  48          3HD1      LEU  48   4.414   2.447  -4.213
  177   1HD2  LEU  48          3HD2      LEU  48   4.634   2.387  -7.894
  178   2HD2  LEU  48          2HD2      LEU  48   5.247   3.156  -6.432
  179   3HD2  LEU  48          1HD2      LEU  48   5.682   1.487  -6.798
  180    H    GLU  49           H        GLU  49   4.085  -0.589  -8.955
  181    HA   GLU  49           HA       GLU  49   4.015   1.015 -11.389
  182   1HB   GLU  49          2HB       GLU  49   6.292   0.939  -9.458
  183   2HB   GLU  49          1HB       GLU  49   6.623   1.110 -11.176
  184   1HG   GLU  49          2HG       GLU  49   5.231   3.106 -11.259
  185   2HG   GLU  49          1HG       GLU  49   4.866   2.929  -9.544
  186    H    VAL  50           H        VAL  50   6.199  -1.386  -9.901
  187    HA   VAL  50           HA       VAL  50   6.242  -2.809 -12.466
  188    HB   VAL  50           HB       VAL  50   8.245  -3.921 -11.669
  189   1HG1  VAL  50          3HG1      VAL  50   8.469  -1.721 -12.730
  190   2HG1  VAL  50          2HG1      VAL  50   8.371  -0.954 -11.144
  191   3HG1  VAL  50          1HG1      VAL  50   9.734  -2.003 -11.534
  192   1HG2  VAL  50          2HG2      VAL  50   7.797  -2.392  -9.108
  193   2HG2  VAL  50          1HG2      VAL  50   7.695  -4.139  -9.321
  194   3HG2  VAL  50          3HG2      VAL  50   9.246  -3.319  -9.498
  195    H    GLU  51           H        GLU  51   7.014  -5.279 -11.763
  196    HA   GLU  51           HA       GLU  51   4.620  -6.378 -10.476
  197   1HB   GLU  51          2HB       GLU  51   5.274  -8.493 -11.577
  198   2HB   GLU  51          1HB       GLU  51   5.069  -7.181 -12.731
  199   1HG   GLU  51          2HG       GLU  51   7.428  -6.908 -12.952
  200   2HG   GLU  51          1HG       GLU  51   7.736  -8.031 -11.628
  201    H    GLU  52           H        GLU  52   5.385  -8.805  -9.612
  202    HA   GLU  52           HA       GLU  52   6.933  -8.157  -7.278
  203   1HB   GLU  52          2HB       GLU  52   5.808 -10.814  -8.182
  204   2HB   GLU  52          1HB       GLU  52   6.474 -10.473  -6.591
  205   1HG   GLU  52          2HG       GLU  52   4.703  -8.816  -6.219
  206   2HG   GLU  52          1HG       GLU  52   4.023  -9.210  -7.797
  207    H    THR  53           H        THR  53   8.872  -7.595  -8.534
  208    HA   THR  53           HA       THR  53  10.641  -9.917  -8.728
  209    HB   THR  53           HB       THR  53  11.697  -9.001 -10.786
  210    HG1  THR  53           HG1      THR  53  10.214  -7.506 -11.979
  211   1HG2  THR  53          3HG2      THR  53   8.767  -9.692 -11.022
  212   2HG2  THR  53          2HG2      THR  53   9.926  -9.724 -12.351
  213   3HG2  THR  53          1HG2      THR  53  10.113 -10.830 -10.989
  214    H    ASP  54           H        ASP  54  10.426  -6.391  -8.964
  215    HA   ASP  54           HA       ASP  54  13.058  -5.777  -8.264
  216   1HB   ASP  54          2HB       ASP  54  11.557  -4.141  -9.257
  217   2HB   ASP  54          1HB       ASP  54  10.500  -4.210  -7.854
  218    HA   PRO  55           HA       PRO  55  13.452  -6.734  -3.951
  219   1HB   PRO  55          2HB       PRO  55  14.801  -4.094  -3.701
  220   2HB   PRO  55          1HB       PRO  55  15.371  -5.700  -3.234
  221   1HG   PRO  55          2HG       PRO  55  16.341  -4.509  -5.400
  222   2HG   PRO  55          1HG       PRO  55  16.001  -6.251  -5.401
  223   1HD   PRO  55          2HD       PRO  55  14.428  -4.010  -6.605
  224   2HD   PRO  55          1HD       PRO  55  14.742  -5.637  -7.241
  225    H    LEU  56           H        LEU  56  11.575  -4.224  -5.088
  226    HA   LEU  56           HA       LEU  56  10.975  -2.587  -2.973
  227   1HB   LEU  56          2HB       LEU  56  10.025  -2.478  -5.288
  228   2HB   LEU  56          1HB       LEU  56   8.948  -3.791  -4.858
  229    HG   LEU  56           HG       LEU  56   8.004  -2.316  -3.051
  230   1HD1  LEU  56          3HD1      LEU  56   9.680  -0.246  -4.461
  231   2HD1  LEU  56          2HD1      LEU  56   8.377   0.120  -3.331
  232   3HD1  LEU  56          1HD1      LEU  56   9.807  -0.751  -2.775
  233   1HD2  LEU  56          1HD2      LEU  56   6.965  -2.661  -5.294
  234   2HD2  LEU  56          3HD2      LEU  56   6.566  -1.118  -4.541
  235   3HD2  LEU  56          2HD2      LEU  56   7.764  -1.186  -5.834
  236    H    CYS  57           H        CYS  57   9.900  -5.897  -3.528
  237    HA   CYS  57           HA       CYS  57   8.080  -5.944  -1.317
  238   1HB   CYS  57          2HB       CYS  57   7.943  -8.354  -1.756
  239   2HB   CYS  57          1HB       CYS  57   7.776  -7.429  -3.242
  240    HG   CYS  57           HG       CYS  57   9.288  -9.856  -3.565
  241    H    GLN  58           H        GLN  58  11.449  -6.760  -1.816
  242    HA   GLN  58           HA       GLN  58  11.899  -8.277   0.495
  243   1HB   GLN  58          2HB       GLN  58  13.818  -6.413  -0.917
  244   2HB   GLN  58          1HB       GLN  58  14.265  -7.682   0.214
  245   1HG   GLN  58          2HG       GLN  58  12.895  -8.121  -2.429
  246   2HG   GLN  58          1HG       GLN  58  14.622  -8.320  -2.128
  247   1HE2  GLN  58          1HE2      GLN  58  12.650 -10.266  -3.031
  248   2HE2  GLN  58          2HE2      GLN  58  12.689 -11.556  -1.883
  249    H    ARG  59           H        ARG  59  11.759  -4.814  -0.026
  250    HA   ARG  59           HA       ARG  59  12.758  -4.146   2.580
  251   1HB   ARG  59          2HB       ARG  59  11.348  -2.470   0.501
  252   2HB   ARG  59          1HB       ARG  59  12.075  -1.838   1.972
  253   1HG   ARG  59          2HG       ARG  59  13.565  -3.309  -0.190
  254   2HG   ARG  59          1HG       ARG  59  13.504  -1.555  -0.012
  255   1HD   ARG  59          2HD       ARG  59  14.366  -3.220   2.306
  256   2HD   ARG  59          1HD       ARG  59  15.495  -2.949   0.985
  257    HE   ARG  59           HE       ARG  59  14.380  -0.493   1.796
  258   1HH1  ARG  59          1HH1      ARG  59  16.606  -2.944   2.875
  259   2HH1  ARG  59          2HH1      ARG  59  17.543  -1.855   3.841
  260   1HH2  ARG  59          1HH2      ARG  59  15.607   0.954   3.065
  261   2HH2  ARG  59          2HH2      ARG  59  16.974   0.363   3.949
  262    H    LEU  60           H        LEU  60   9.558  -3.842   1.021
  263    HA   LEU  60           HA       LEU  60   8.105  -2.966   3.200
  264   1HB   LEU  60          2HB       LEU  60   7.175  -4.871   1.047
  265   2HB   LEU  60          1HB       LEU  60   6.131  -3.938   2.101
  266    HG   LEU  60           HG       LEU  60   8.038  -2.767   0.074
  267   1HD1  LEU  60          3HD1      LEU  60   6.158  -3.970  -0.952
  268   2HD1  LEU  60          2HD1      LEU  60   5.034  -2.998  -0.001
  269   3HD1  LEU  60          1HD1      LEU  60   6.058  -2.228  -1.214
  270   1HD2  LEU  60          1HD2      LEU  60   7.676  -1.302   1.991
  271   2HD2  LEU  60          3HD2      LEU  60   6.888  -0.664   0.549
  272   3HD2  LEU  60          2HD2      LEU  60   5.930  -1.464   1.795
  273    H    ARG  61           H        ARG  61   9.181  -6.210   2.429
  274    HA   ARG  61           HA       ARG  61   7.598  -7.491   4.446
  275   1HB   ARG  61          2HB       ARG  61   8.365  -8.658   2.400
  276   2HB   ARG  61          1HB       ARG  61  10.024  -8.521   2.965
  277   1HG   ARG  61          2HG       ARG  61   9.434  -9.871   4.940
  278   2HG   ARG  61          1HG       ARG  61   7.802 -10.056   4.295
  279   1HD   ARG  61          2HD       ARG  61   9.084 -12.015   3.747
  280   2HD   ARG  61          1HD       ARG  61   8.769 -11.104   2.271
  281    HE   ARG  61           HE       ARG  61  11.144 -10.174   2.797
  282   1HH1  ARG  61          1HH1      ARG  61  10.022 -13.442   3.245
  283   2HH1  ARG  61          2HH1      ARG  61  11.581 -14.150   2.986
  284   1HH2  ARG  61          1HH2      ARG  61  13.202 -11.099   2.454
  285   2HH2  ARG  61          2HH2      ARG  61  13.388 -12.818   2.536
  286    H    GLU  62           H        GLU  62  10.959  -6.414   4.173
  287    HA   GLU  62           HA       GLU  62  11.914  -7.490   6.574
  288   1HB   GLU  62          2HB       GLU  62  13.320  -6.488   4.770
  289   2HB   GLU  62          1HB       GLU  62  12.776  -4.896   5.281
  290   1HG   GLU  62          2HG       GLU  62  14.941  -5.306   6.202
  291   2HG   GLU  62          1HG       GLU  62  13.758  -5.322   7.509
  292    H    ASN  63           H        ASN  63   9.926  -4.738   5.914
  293    HA   ASN  63           HA       ASN  63  10.027  -3.964   8.750
  294   1HB   ASN  63          2HB       ASN  63   9.123  -2.341   6.359
  295   2HB   ASN  63          1HB       ASN  63   9.118  -1.784   8.029
  296   1HD2  ASN  63          1HD2      ASN  63  11.060  -2.534   5.262
  297   2HD2  ASN  63          2HD2      ASN  63  12.527  -1.832   5.843
  298    H    ASP  64           H        ASP  64   8.556  -5.501   9.476
  299    HA   ASP  64           HA       ASP  64   6.117  -6.185   8.381
  300   1HB   ASP  64          2HB       ASP  64   7.082  -7.367  10.286
  301   2HB   ASP  64          1HB       ASP  64   6.841  -5.955  11.311
  302    H    ILE  65           H        ILE  65   4.589  -4.835   7.708
  303    HA   ILE  65           HA       ILE  65   3.639  -2.762   9.562
  304    HB   ILE  65           HB       ILE  65   4.078  -2.403   6.595
  305   1HG1  ILE  65          2HG1      ILE  65   6.109  -2.167   7.982
  306   2HG1  ILE  65          1HG1      ILE  65   5.634  -0.641   7.247
  307   1HG2  ILE  65          3HG2      ILE  65   2.780  -0.554   8.588
  308   2HG2  ILE  65          2HG2      ILE  65   3.221  -0.116   6.939
  309   3HG2  ILE  65          1HG2      ILE  65   1.999  -1.354   7.225
  310   1HD1  ILE  65          3HD1      ILE  65   5.091  -1.453  10.093
  311   2HD1  ILE  65          2HD1      ILE  65   6.371  -0.365   9.554
  312   3HD1  ILE  65          1HD1      ILE  65   4.680   0.093   9.353
  313    H    VAL  66           H        VAL  66   1.455  -2.517   9.676
  314    HA   VAL  66           HA       VAL  66  -0.151  -4.411   8.099
  315    HB   VAL  66           HB       VAL  66  -0.184  -4.664  10.582
  316   1HG1  VAL  66          1HG1      VAL  66   0.014  -2.313  11.187
  317   2HG1  VAL  66          3HG1      VAL  66  -1.590  -2.001  10.525
  318   3HG1  VAL  66          2HG1      VAL  66  -1.408  -3.045  11.933
  319   1HG2  VAL  66          3HG2      VAL  66  -2.063  -5.391   9.112
  320   2HG2  VAL  66          2HG2      VAL  66  -2.539  -5.022  10.769
  321   3HG2  VAL  66          1HG2      VAL  66  -2.871  -3.868   9.478
  322    H    GLY  67           H        GLY  67  -2.438  -3.658   7.664
  323   1HA   GLY  67          1HA       GLY  67  -3.859  -2.200   6.611
  324   2HA   GLY  67          2HA       GLY  67  -2.414  -1.359   6.074
  325    H    ASP  68           H        ASP  68  -3.016  -1.708   9.468
  326    HA   ASP  68           HA       ASP  68  -4.426   0.772   9.779
  327   1HB   ASP  68          2HB       ASP  68  -4.728  -1.107  11.348
  328   2HB   ASP  68          1HB       ASP  68  -3.045  -0.957  11.845
  329    H    LEU  69           H        LEU  69  -1.251   0.061   9.131
  330    HA   LEU  69           HA       LEU  69  -0.210   2.393  10.582
  331   1HB   LEU  69          2HB       LEU  69   0.990  -0.116   9.532
  332   2HB   LEU  69          1HB       LEU  69   2.001   1.315   9.553
  333    HG   LEU  69           HG       LEU  69   1.959   1.458  11.900
  334   1HD1  LEU  69          2HD1      LEU  69  -0.343  -0.480  11.822
  335   2HD1  LEU  69          1HD1      LEU  69   0.507  -0.016  13.295
  336   3HD1  LEU  69          3HD1      LEU  69  -0.369   1.197  12.362
  337   1HD2  LEU  69          2HD2      LEU  69   3.306  -0.406  10.955
  338   2HD2  LEU  69          1HD2      LEU  69   2.801  -0.662  12.626
  339   3HD2  LEU  69          3HD2      LEU  69   1.966  -1.496  11.316
  340    H    LEU  70           H        LEU  70  -1.180   1.381   7.484
  341    HA   LEU  70           HA       LEU  70   0.600   2.848   5.871
  342   1HB   LEU  70          2HB       LEU  70  -2.248   2.009   5.338
  343   2HB   LEU  70          1HB       LEU  70  -1.165   2.671   4.128
  344    HG   LEU  70           HG       LEU  70  -0.711   0.092   5.635
  345   1HD1  LEU  70          3HD1      LEU  70  -1.603   0.575   2.797
  346   2HD1  LEU  70          2HD1      LEU  70  -1.200  -0.992   3.499
  347   3HD1  LEU  70          1HD1      LEU  70  -2.588  -0.088   4.101
  348   1HD2  LEU  70          1HD2      LEU  70   0.787   1.339   3.331
  349   2HD2  LEU  70          3HD2      LEU  70   1.373   1.176   4.987
  350   3HD2  LEU  70          2HD2      LEU  70   1.087  -0.263   4.007
  351    HA   PRO  71           HA       PRO  71  -2.459   6.492   6.024
  352   1HB   PRO  71          2HB       PRO  71  -4.663   6.434   7.522
  353   2HB   PRO  71          1HB       PRO  71  -4.599   5.597   5.965
  354   1HG   PRO  71          2HG       PRO  71  -4.349   4.484   8.728
  355   2HG   PRO  71          1HG       PRO  71  -5.206   3.819   7.326
  356   1HD   PRO  71          2HD       PRO  71  -2.680   3.040   8.167
  357   2HD   PRO  71          1HD       PRO  71  -3.331   2.796   6.535
  358    H    GLU  72           H        GLU  72  -1.216   4.965   8.741
  359    HA   GLU  72           HA       GLU  72  -1.572   7.258  10.515
  360   1HB   GLU  72          2HB       GLU  72  -1.901   4.990  11.425
  361   2HB   GLU  72          1HB       GLU  72  -0.236   4.594  11.023
  362   1HG   GLU  72          2HG       GLU  72   0.562   6.278  12.581
  363   2HG   GLU  72          1HG       GLU  72  -1.100   6.733  12.957
  364    H    LEU  73           H        LEU  73   0.906   5.600   8.670
  365    HA   LEU  73           HA       LEU  73   3.025   7.248   9.771
  366   1HB   LEU  73          2HB       LEU  73   3.018   5.141   7.612
  367   2HB   LEU  73          1HB       LEU  73   4.453   6.002   8.137
  368    HG   LEU  73           HG       LEU  73   2.759   4.262   9.933
  369   1HD1  LEU  73          3HD1      LEU  73   5.385   3.670   8.576
  370   2HD1  LEU  73          2HD1      LEU  73   4.599   2.652   9.781
  371   3HD1  LEU  73          1HD1      LEU  73   3.831   2.917   8.216
  372   1HD2  LEU  73          1HD2      LEU  73   5.461   5.541  10.339
  373   2HD2  LEU  73          3HD2      LEU  73   3.956   6.009  11.130
  374   3HD2  LEU  73          2HD2      LEU  73   4.671   4.431  11.459
  375    H    CYS  74           H        CYS  74   4.590   8.224   8.099
  376    HA   CYS  74           HA       CYS  74   3.015   9.666   6.066
  377   1HB   CYS  74          2HB       CYS  74   5.316  10.700   7.736
  378   2HB   CYS  74          1HB       CYS  74   4.523  11.596   6.445
  379    HG   CYS  74           HG       CYS  74   3.236  12.812   8.365
  380    H    LEU  75           H        LEU  75   5.119  11.014   4.845
  381    HA   LEU  75           HA       LEU  75   6.070   9.053   3.048
  382   1HB   LEU  75          2HB       LEU  75   6.990  11.902   3.440
  383   2HB   LEU  75          1HB       LEU  75   7.390  10.890   2.065
  384    HG   LEU  75           HG       LEU  75   4.592  11.756   2.801
  385   1HD1  LEU  75          2HD1      LEU  75   5.951  13.651   2.095
  386   2HD1  LEU  75          1HD1      LEU  75   6.441  12.772   0.646
  387   3HD1  LEU  75          3HD1      LEU  75   4.754  13.239   0.866
  388   1HD2  LEU  75          3HD2      LEU  75   5.684  10.329   0.378
  389   2HD2  LEU  75          2HD2      LEU  75   4.635   9.639   1.617
  390   3HD2  LEU  75          1HD2      LEU  75   4.030  10.915   0.560
  391    H    GLN  76           H        GLN  76   7.149   9.909   6.103
  392    HA   GLN  76           HA       GLN  76   9.944   9.721   5.827
  393   1HB   GLN  76          2HB       GLN  76   8.777  10.607   7.833
  394   2HB   GLN  76          1HB       GLN  76   8.252   8.975   8.223
  395   1HG   GLN  76          2HG       GLN  76  11.156   9.641   7.923
  396   2HG   GLN  76          1HG       GLN  76  10.297   9.936   9.434
  397   1HE2  GLN  76          1HE2      GLN  76   8.566   7.613   9.097
  398   2HE2  GLN  76          2HE2      GLN  76   9.543   6.231   9.441
  399    H    ASP  77           H        ASP  77   7.605   7.259   6.929
  400    HA   ASP  77           HA       ASP  77   9.520   5.153   6.865
  401   1HB   ASP  77          2HB       ASP  77   7.573   5.054   8.340
  402   2HB   ASP  77          1HB       ASP  77   6.497   5.048   6.947
  403    H    CYS  78           H        CYS  78   7.383   6.558   4.528
  404    HA   CYS  78           HA       CYS  78   7.242   4.381   2.722
  405   1HB   CYS  78          2HB       CYS  78   7.002   7.352   2.192
  406   2HB   CYS  78          1HB       CYS  78   6.545   6.080   1.065
  407    HG   CYS  78           HG       CYS  78   4.482   5.085   2.651
  408    H    GLN  79           H        GLN  79   9.319   7.281   2.760
  409    HA   GLN  79           HA       GLN  79  10.852   6.542   0.510
  410   1HB   GLN  79          2HB       GLN  79  10.697   8.841   1.591
  411   2HB   GLN  79          1HB       GLN  79  11.829   8.247   2.799
  412   1HG   GLN  79          2HG       GLN  79  13.481   7.826   1.065
  413   2HG   GLN  79          1HG       GLN  79  12.344   8.379  -0.163
  414   1HE2  GLN  79          1HE2      GLN  79  13.686  10.027  -0.850
  415   2HE2  GLN  79          2HE2      GLN  79  13.970  11.448   0.090
  416    H    ASP  80           H        ASP  80  11.189   5.907   3.953
  417    HA   ASP  80           HA       ASP  80  13.770   4.768   3.886
  418   1HB   ASP  80          2HB       ASP  80  12.626   5.493   5.968
  419   2HB   ASP  80          1HB       ASP  80  11.490   4.156   5.786
  420    H    LEU  81           H        LEU  81  10.579   3.540   3.244
  421    HA   LEU  81           HA       LEU  81  11.285   0.776   3.196
  422   1HB   LEU  81          2HB       LEU  81   8.916   2.425   2.709
  423   2HB   LEU  81          1HB       LEU  81   9.007   1.027   1.660
  424    HG   LEU  81           HG       LEU  81   8.842  -0.484   3.446
  425   1HD1  LEU  81          1HD1      LEU  81   9.527   1.809   5.280
  426   2HD1  LEU  81          3HD1      LEU  81   9.025   0.207   5.822
  427   3HD1  LEU  81          2HD1      LEU  81  10.526   0.401   4.916
  428   1HD2  LEU  81          3HD2      LEU  81   6.750   0.719   2.998
  429   2HD2  LEU  81          2HD2      LEU  81   6.872   0.206   4.681
  430   3HD2  LEU  81          1HD2      LEU  81   7.168   1.890   4.249
  431    H    CYS  82           H        CYS  82  11.824   3.351   1.095
  432    HA   CYS  82           HA       CYS  82  12.117   1.578  -1.229
  433   1HB   CYS  82          2HB       CYS  82  10.726   3.579  -1.581
  434   2HB   CYS  82          1HB       CYS  82  12.075   4.603  -1.098
  435    HG   CYS  82           HG       CYS  82  11.732   4.729  -3.888
  436    H    ASP  83           H        ASP  83  14.051   1.783  -2.539
  437    HA   ASP  83           HA       ASP  83  16.415   1.679  -1.024
  438   1HB   ASP  83          2HB       ASP  83  16.125   0.500  -3.171
  439   2HB   ASP  83          1HB       ASP  83  16.115   2.047  -4.012
  440    H    GLY  84           H        GLY  84  14.770   4.313  -2.548
  441   1HA   GLY  84          1HA       GLY  84  17.098   6.055  -2.485
  442   2HA   GLY  84          2HA       GLY  84  15.871   6.393  -1.274
  443    H    ASP  85           H        ASP  85  14.460   5.127  -4.041
  444    HA   ASP  85           HA       ASP  85  14.325   7.492  -5.629
  445   1HB   ASP  85          2HB       ASP  85  14.019   5.113  -6.453
  446   2HB   ASP  85          1HB       ASP  85  12.418   5.154  -5.721
  447    H    LEU  86           H        LEU  86  13.316   9.269  -4.971
  448    HA   LEU  86           HA       LEU  86  11.352   9.346  -2.950
  449   1HB   LEU  86          2HB       LEU  86  12.837  11.236  -3.542
  450   2HB   LEU  86          1HB       LEU  86  11.964  11.425  -5.051
  451    HG   LEU  86           HG       LEU  86   9.898  11.904  -3.732
  452   1HD1  LEU  86          1HD1      LEU  86  11.820  11.946  -1.410
  453   2HD1  LEU  86          3HD1      LEU  86  10.141  12.484  -1.368
  454   3HD1  LEU  86          2HD1      LEU  86  10.516  10.787  -1.663
  455   1HD2  LEU  86          1HD2      LEU  86  12.259  13.712  -3.227
  456   2HD2  LEU  86          3HD2      LEU  86  11.236  13.710  -4.664
  457   3HD2  LEU  86          2HD2      LEU  86  10.562  14.176  -3.101
  458    H    ASN  87           H        ASN  87  11.107   9.631  -6.482
  459    HA   ASN  87           HA       ASN  87   8.397  10.123  -6.719
  460   1HB   ASN  87          2HB       ASN  87  10.232   8.523  -8.508
  461   2HB   ASN  87          1HB       ASN  87   8.593   8.983  -8.957
  462   1HD2  ASN  87          1HD2      ASN  87  11.130   9.693 -10.188
  463   2HD2  ASN  87          2HD2      ASN  87  11.207  11.418 -10.173
  464    H    LYS  88           H        LYS  88  10.049   7.126  -6.025
  465    HA   LYS  88           HA       LYS  88   7.874   5.381  -6.530
  466   1HB   LYS  88          2HB       LYS  88  10.180   4.586  -6.427
  467   2HB   LYS  88          1HB       LYS  88  10.280   5.038  -4.734
  468   1HG   LYS  88          2HG       LYS  88   9.967   2.660  -4.928
  469   2HG   LYS  88          1HG       LYS  88   8.533   3.390  -4.208
  470   1HD   LYS  88          2HD       LYS  88   7.678   1.870  -5.764
  471   2HD   LYS  88          1HD       LYS  88   7.589   3.423  -6.594
  472   1HE   LYS  88          2HE       LYS  88   9.863   1.473  -6.920
  473   2HE   LYS  88          1HE       LYS  88   8.455   1.517  -7.978
  474   1HZ   LYS  88          2HZ       LYS  88   9.041   3.904  -8.398
  475   2HZ   LYS  88          1HZ       LYS  88  10.507   3.621  -7.605
  476   3HZ   LYS  88          3HZ       LYS  88  10.133   2.774  -9.021
  477    H    ALA  89           H        ALA  89   9.045   6.997  -3.597
  478    HA   ALA  89           HA       ALA  89   7.149   5.790  -1.857
  479   1HB   ALA  89          3HB       ALA  89   7.867   7.407  -0.217
  480   2HB   ALA  89          1HB       ALA  89   8.635   8.384  -1.468
  481   3HB   ALA  89          2HB       ALA  89   9.272   6.786  -1.083
  482    H    ILE  90           H        ILE  90   7.135   8.693  -3.830
  483    HA   ILE  90           HA       ILE  90   4.920   9.977  -2.681
  484    HB   ILE  90           HB       ILE  90   5.892  10.049  -5.541
  485   1HG1  ILE  90          2HG1      ILE  90   6.340  11.978  -3.252
  486   2HG1  ILE  90          1HG1      ILE  90   7.519  10.800  -3.817
  487   1HG2  ILE  90          3HG2      ILE  90   3.954  11.862  -4.107
  488   2HG2  ILE  90          2HG2      ILE  90   4.630  12.162  -5.707
  489   3HG2  ILE  90          1HG2      ILE  90   3.582  10.769  -5.441
  490   1HD1  ILE  90          1HD1      ILE  90   6.402  13.083  -5.429
  491   2HD1  ILE  90          3HD1      ILE  90   7.993  13.026  -4.671
  492   3HD1  ILE  90          2HD1      ILE  90   7.600  11.912  -5.981
  493    H    LYS  91           H        LYS  91   5.071   7.851  -5.544
  494    HA   LYS  91           HA       LYS  91   2.318   7.753  -6.029
  495   1HB   LYS  91          2HB       LYS  91   4.523   5.788  -6.641
  496   2HB   LYS  91          1HB       LYS  91   2.869   5.556  -7.184
  497   1HG   LYS  91          2HG       LYS  91   4.637   7.889  -7.885
  498   2HG   LYS  91          1HG       LYS  91   4.273   6.515  -8.929
  499   1HD   LYS  91          2HD       LYS  91   2.171   8.367  -7.813
  500   2HD   LYS  91          1HD       LYS  91   2.935   8.594  -9.386
  501   1HE   LYS  91          2HE       LYS  91   0.960   7.461  -9.883
  502   2HE   LYS  91          1HE       LYS  91   2.183   6.192  -9.879
  503   1HZ   LYS  91          1HZ       LYS  91   0.469   6.817  -7.541
  504   2HZ   LYS  91          3HZ       LYS  91   0.086   5.635  -8.689
  505   3HZ   LYS  91          2HZ       LYS  91   1.478   5.475  -7.745
  506    H    PHE  92           H        PHE  92   4.373   5.852  -3.907
  507    HA   PHE  92           HA       PHE  92   2.597   3.813  -3.232
  508   1HB   PHE  92          2HB       PHE  92   4.956   3.770  -2.602
  509   2HB   PHE  92          1HB       PHE  92   4.716   5.144  -1.530
  510    HD1  PHE  92           HD1      PHE  92   4.961   4.493   0.649
  511    HD2  PHE  92           HD2      PHE  92   2.858   1.943  -2.033
  512    HE1  PHE  92           HE1      PHE  92   4.463   2.956   2.506
  513    HE2  PHE  92           HE2      PHE  92   2.356   0.402  -0.182
  514    HZ   PHE  92           HZ       PHE  92   3.160   0.908   2.091
  515    H    LYS  93           H        LYS  93   3.273   6.762  -1.339
  516    HA   LYS  93           HA       LYS  93   1.224   6.482   0.514
  517   1HB   LYS  93          2HB       LYS  93   3.224   8.237   0.212
  518   2HB   LYS  93          1HB       LYS  93   1.909   9.228  -0.400
  519   1HG   LYS  93          2HG       LYS  93   1.832   7.860   2.277
  520   2HG   LYS  93          1HG       LYS  93   2.435   9.500   2.037
  521   1HD   LYS  93          2HD       LYS  93  -0.338   8.549   1.322
  522   2HD   LYS  93          1HD       LYS  93   0.080   9.442   2.784
  523   1HE   LYS  93          2HE       LYS  93   0.887  11.303   1.379
  524   2HE   LYS  93          1HE       LYS  93   0.388  10.410  -0.057
  525   1HZ   LYS  93          3HZ       LYS  93  -1.417  11.323   2.119
  526   2HZ   LYS  93          2HZ       LYS  93  -1.267  12.047   0.598
  527   3HZ   LYS  93          1HZ       LYS  93  -1.893  10.481   0.730
  528    H    ILE  94           H        ILE  94   1.195   7.984  -2.684
  529    HA   ILE  94           HA       ILE  94  -1.309   9.190  -2.613
  530    HB   ILE  94           HB       ILE  94   0.269   7.998  -4.874
  531   1HG1  ILE  94          2HG1      ILE  94  -0.532  10.851  -4.272
  532   2HG1  ILE  94          1HG1      ILE  94   0.996  10.131  -3.778
  533   1HG2  ILE  94          2HG2      ILE  94  -2.073   7.697  -5.449
  534   2HG2  ILE  94          1HG2      ILE  94  -2.397   9.392  -5.081
  535   3HG2  ILE  94          3HG2      ILE  94  -1.353   8.970  -6.439
  536   1HD1  ILE  94          2HD1      ILE  94   0.050  10.482  -6.612
  537   2HD1  ILE  94          1HD1      ILE  94   1.248  11.477  -5.784
  538   3HD1  ILE  94          3HD1      ILE  94   1.587   9.778  -6.113
  539    H    LEU  95           H        LEU  95  -0.547   6.024  -4.065
  540    HA   LEU  95           HA       LEU  95  -3.086   5.165  -4.627
  541   1HB   LEU  95          2HB       LEU  95  -0.799   3.490  -3.589
  542   2HB   LEU  95          1HB       LEU  95  -2.220   2.865  -4.405
  543    HG   LEU  95           HG       LEU  95  -0.253   4.768  -5.676
  544   1HD1  LEU  95          2HD1      LEU  95   0.824   2.642  -5.137
  545   2HD1  LEU  95          1HD1      LEU  95  -0.473   1.776  -5.962
  546   3HD1  LEU  95          3HD1      LEU  95   0.604   2.834  -6.877
  547   1HD2  LEU  95          3HD2      LEU  95  -2.504   4.827  -6.631
  548   2HD2  LEU  95          2HD2      LEU  95  -1.350   4.107  -7.753
  549   3HD2  LEU  95          1HD2      LEU  95  -2.460   3.078  -6.848
  550    H    ILE  96           H        ILE  96  -1.465   5.273  -1.535
  551    HA   ILE  96           HA       ILE  96  -3.385   3.671  -0.170
  552    HB   ILE  96           HB       ILE  96  -1.406   5.650   0.965
  553   1HG1  ILE  96          2HG1      ILE  96  -1.161   2.644   0.819
  554   2HG1  ILE  96          1HG1      ILE  96  -0.493   3.715  -0.408
  555   1HG2  ILE  96          1HG2      ILE  96  -2.980   3.450   2.296
  556   2HG2  ILE  96          3HG2      ILE  96  -1.684   4.373   3.059
  557   3HG2  ILE  96          2HG2      ILE  96  -3.165   5.187   2.553
  558   1HD1  ILE  96          2HD1      ILE  96   0.896   4.786   1.300
  559   2HD1  ILE  96          1HD1      ILE  96   0.240   3.681   2.508
  560   3HD1  ILE  96          3HD1      ILE  96   1.209   3.054   1.175
  561    H    ASN  97           H        ASN  97  -2.973   7.116  -0.717
  562    HA   ASN  97           HA       ASN  97  -4.961   7.990   1.099
  563   1HB   ASN  97          2HB       ASN  97  -3.196   9.466   0.196
  564   2HB   ASN  97          1HB       ASN  97  -3.940   9.361  -1.397
  565   1HD2  ASN  97          1HD2      ASN  97  -5.887  10.412  -1.782
  566   2HD2  ASN  97          2HD2      ASN  97  -6.487  11.644  -0.729
  567    H    LYS  98           H        LYS  98  -5.020   7.268  -2.368
  568    HA   LYS  98           HA       LYS  98  -7.754   7.987  -2.723
  569   1HB   LYS  98          2HB       LYS  98  -5.762   6.463  -4.378
  570   2HB   LYS  98          1HB       LYS  98  -7.447   6.566  -4.866
  571   1HG   LYS  98          2HG       LYS  98  -6.199   8.253  -6.017
  572   2HG   LYS  98          1HG       LYS  98  -7.260   9.034  -4.843
  573   1HD   LYS  98          2HD       LYS  98  -5.380   9.269  -3.298
  574   2HD   LYS  98          1HD       LYS  98  -4.318   8.471  -4.459
  575   1HE   LYS  98          2HE       LYS  98  -5.795  11.059  -4.926
  576   2HE   LYS  98          1HE       LYS  98  -4.089  10.919  -4.509
  577   1HZ   LYS  98          3HZ       LYS  98  -5.355   9.811  -6.957
  578   2HZ   LYS  98          2HZ       LYS  98  -4.421  11.221  -6.889
  579   3HZ   LYS  98          1HZ       LYS  98  -3.712   9.721  -6.563
  580    H    MET  99           H        MET  99  -6.069   5.010  -1.939
  581    HA   MET  99           HA       MET  99  -8.259   3.256  -2.336
  582   1HB   MET  99          2HB       MET  99  -5.951   2.453  -2.240
  583   2HB   MET  99          1HB       MET  99  -5.828   2.961  -0.562
  584   1HG   MET  99          2HG       MET  99  -6.159   0.566  -0.735
  585   2HG   MET  99          1HG       MET  99  -7.522   1.338   0.071
  586   1HE   MET  99          1HE       MET  99  -7.567  -1.618  -1.063
  587   2HE   MET  99          3HE       MET  99  -8.990  -0.899  -0.312
  588   3HE   MET  99          2HE       MET  99  -9.126  -1.685  -1.884
  589    H    ARG 100           H        ARG 100  -6.975   4.866   0.557
  590    HA   ARG 100           HA       ARG 100  -8.754   3.774   2.419
  591   1HB   ARG 100          2HB       ARG 100  -6.746   4.962   3.098
  592   2HB   ARG 100          1HB       ARG 100  -7.366   6.458   2.415
  593   1HG   ARG 100          2HG       ARG 100  -9.203   6.412   4.059
  594   2HG   ARG 100          1HG       ARG 100  -8.491   4.963   4.774
  595   1HD   ARG 100          2HD       ARG 100  -6.473   6.186   5.319
  596   2HD   ARG 100          1HD       ARG 100  -7.096   7.625   4.515
  597    HE   ARG 100           HE       ARG 100  -8.768   6.648   6.649
  598   1HH1  ARG 100          1HH1      ARG 100  -6.084   8.699   5.797
  599   2HH1  ARG 100          2HH1      ARG 100  -6.245   9.712   7.193
  600   1HH2  ARG 100          1HH2      ARG 100  -8.988   7.976   8.493
  601   2HH2  ARG 100          2HH2      ARG 100  -7.895   9.300   8.725
  602    H    ASP 101           H        ASP 101  -8.912   6.975   0.847
  603    HA   ASP 101           HA       ASP 101 -11.555   7.492   1.781
  604   1HB   ASP 101          2HB       ASP 101  -9.912   8.825  -0.379
  605   2HB   ASP 101          1HB       ASP 101 -11.458   9.427   0.209
  606    H    SER 102           H        SER 102 -10.362   5.548  -0.669
  607    HA   SER 102           HA       SER 102 -11.257   4.461  -2.449
  608   1HB   SER 102          2HB       SER 102 -13.517   3.667  -2.217
  609   2HB   SER 102          1HB       SER 102 -12.792   3.707  -0.610
  610    HG   SER 102           HG       SER 102 -14.422   5.770  -1.677
  611    H    LYS 103           H        LYS 103 -13.489   4.668  -3.958
  612    HA   LYS 103           HA       LYS 103 -13.413   7.454  -4.912
  613   1HB   LYS 103          2HB       LYS 103 -13.852   6.481  -7.190
  614   2HB   LYS 103          1HB       LYS 103 -12.276   6.098  -6.513
  615   1HG   LYS 103          2HG       LYS 103 -13.146   3.890  -5.826
  616   2HG   LYS 103          1HG       LYS 103 -14.677   4.283  -6.612
  617   1HD   LYS 103          2HD       LYS 103 -13.494   4.538  -8.751
  618   2HD   LYS 103          1HD       LYS 103 -11.980   4.106  -7.955
  619   1HE   LYS 103          2HE       LYS 103 -12.935   1.920  -7.364
  620   2HE   LYS 103          1HE       LYS 103 -14.425   2.356  -8.201
  621   1HZ   LYS 103          2HZ       LYS 103 -13.153   2.546 -10.259
  622   2HZ   LYS 103          1HZ       LYS 103 -11.740   2.093  -9.447
  623   3HZ   LYS 103          3HZ       LYS 103 -13.019   0.995  -9.598
  624    H    LEU 104           H        LEU 104 -15.272   8.433  -4.443
  625    HA   LEU 104           HA       LEU 104 -17.757   7.464  -5.422
  626   1HB   LEU 104          2HB       LEU 104 -17.020   6.373  -3.036
  627   2HB   LEU 104          1HB       LEU 104 -17.960   7.754  -2.508
  628    HG   LEU 104           HG       LEU 104 -19.376   5.792  -2.616
  629   1HD1  LEU 104          1HD1      LEU 104 -20.365   7.960  -3.177
  630   2HD1  LEU 104          3HD1      LEU 104 -19.993   7.685  -4.880
  631   3HD1  LEU 104          2HD1      LEU 104 -21.145   6.640  -4.047
  632   1HD2  LEU 104          2HD2      LEU 104 -18.595   5.649  -5.524
  633   2HD2  LEU 104          1HD2      LEU 104 -18.137   4.505  -4.264
  634   3HD2  LEU 104          3HD2      LEU 104 -19.828   4.661  -4.741
  635    H    GLU 105           H        GLU 105 -17.069   9.277  -2.459
  636    HA   GLU 105           HA       GLU 105 -17.986  11.734  -3.799
  637   1HB   GLU 105          2HB       GLU 105 -19.733  10.844  -2.292
  638   2HB   GLU 105          1HB       GLU 105 -18.591  10.893  -0.956
  639   1HG   GLU 105          2HG       GLU 105 -20.080  12.787  -0.856
  640   2HG   GLU 105          1HG       GLU 105 -18.433  13.324  -1.185
  641    H    TRP 106           H        TRP 106 -16.044  12.700  -4.094
  642    HA   TRP 106           HA       TRP 106 -14.236  12.917  -1.791
  643   1HB   TRP 106          2HB       TRP 106 -13.482  13.800  -4.551
  644   2HB   TRP 106          1HB       TRP 106 -12.462  13.161  -3.268
  645    HD1  TRP 106           HD1      TRP 106 -12.076  10.574  -3.191
  646    HE1  TRP 106           HE1      TRP 106 -12.707   8.646  -4.772
  647    HE3  TRP 106           HE3      TRP 106 -15.418  13.020  -6.174
  648    HZ2  TRP 106           HZ2      TRP 106 -14.390   8.223  -7.004
  649    HZ3  TRP 106           HZ3      TRP 106 -16.495  11.791  -8.011
  650    HH2  TRP 106           HH2      TRP 106 -15.990   9.437  -8.415
  651    H    LYS 107           H        LYS 107 -16.748  14.528  -2.741
  652    HA   LYS 107           HA       LYS 107 -15.548  17.157  -2.199
  653   1HB   LYS 107          2HB       LYS 107 -17.803  16.638  -4.145
  654   2HB   LYS 107          1HB       LYS 107 -17.101  18.204  -3.762
  655   1HG   LYS 107          2HG       LYS 107 -14.998  17.548  -4.750
  656   2HG   LYS 107          1HG       LYS 107 -15.613  15.921  -5.043
  657   1HD   LYS 107          2HD       LYS 107 -17.325  16.854  -6.539
  658   2HD   LYS 107          1HD       LYS 107 -16.672  18.470  -6.263
  659   1HE   LYS 107          2HE       LYS 107 -14.544  17.792  -7.234
  660   2HE   LYS 107          1HE       LYS 107 -15.156  16.155  -7.466
  661   1HZ   LYS 107          2HZ       LYS 107 -16.250  18.597  -8.755
  662   2HZ   LYS 107          1HZ       LYS 107 -15.253  17.454  -9.505
  663   3HZ   LYS 107          3HZ       LYS 107 -16.806  17.018  -8.994
  664    H    ASP 108           H        ASP 108 -16.149  17.162  -0.060
  665    HA   ASP 108           HA       ASP 108 -19.041  17.355   0.429
  666   1HB   ASP 108          2HB       ASP 108 -18.633  16.295   2.672
  667   2HB   ASP 108          1HB       ASP 108 -18.412  15.212   1.302

  No H/Q in entry =         667
  Start of MODEL    9
    1    H1   GLY  24          1H        GLY  24 -17.100 -18.253  -9.653
    2    H2   GLY  24          3H        GLY  24 -18.723 -17.770  -9.661
    3    H3   GLY  24          2H        GLY  24 -17.497 -16.622  -9.862
    4   1HA   GLY  24          2HA       GLY  24 -18.041 -18.203  -7.409
    5   2HA   GLY  24          1HA       GLY  24 -18.377 -16.493  -7.631
    6    H    SER  25           H        SER  25 -16.878 -17.273  -5.511
    7    HA   SER  25           HA       SER  25 -14.940 -16.852  -4.407
    8   1HB   SER  25          2HB       SER  25 -14.039 -18.694  -5.745
    9   2HB   SER  25          1HB       SER  25 -13.667 -17.578  -7.058
   10    HG   SER  25           HG       SER  25 -12.636 -17.040  -4.513
   11    H    HIS  26           H        HIS  26 -14.795 -14.780  -3.849
   12    HA   HIS  26           HA       HIS  26 -13.553 -12.924  -5.754
   13   1HB   HIS  26          2HB       HIS  26 -15.081 -11.125  -4.916
   14   2HB   HIS  26          1HB       HIS  26 -15.894 -12.382  -5.845
   15    HD1  HIS  26           HD1      HIS  26 -17.633 -13.803  -4.637
   16    HD2  HIS  26           HD2      HIS  26 -15.685 -11.108  -2.146
   17    HE1  HIS  26           HE1      HIS  26 -18.933 -13.818  -2.486
   18    HE2  HIS  26           HE2      HIS  26 -17.778 -12.126  -1.018
   19    H    MET  27           H        MET  27 -12.242 -11.339  -4.852
   20    HA   MET  27           HA       MET  27 -11.729 -11.610  -1.963
   21   1HB   MET  27          2HB       MET  27  -9.697 -11.146  -4.153
   22   2HB   MET  27          1HB       MET  27  -9.346 -11.183  -2.432
   23   1HG   MET  27          2HG       MET  27 -10.061 -13.515  -2.334
   24   2HG   MET  27          1HG       MET  27 -10.414 -13.479  -4.060
   25   1HE   MET  27          1HE       MET  27  -8.555 -13.145  -5.935
   26   2HE   MET  27          3HE       MET  27  -7.981 -11.682  -5.133
   27   3HE   MET  27          2HE       MET  27  -6.837 -12.946  -5.587
   28    H    ASN  28           H        ASN  28 -12.197  -9.810  -0.913
   29    HA   ASN  28           HA       ASN  28 -11.214  -7.262  -1.743
   30   1HB   ASN  28          2HB       ASN  28 -13.184  -7.394  -3.207
   31   2HB   ASN  28          1HB       ASN  28 -14.210  -7.695  -1.807
   32   1HD2  ASN  28          1HD2      ASN  28 -15.461  -5.887  -2.139
   33   2HD2  ASN  28          2HD2      ASN  28 -14.878  -4.283  -1.876
   34    H    ASN  29           H        ASN  29 -10.754  -6.159   0.045
   35    HA   ASN  29           HA       ASN  29 -12.484  -6.343   2.377
   36   1HB   ASN  29          2HB       ASN  29 -10.436  -6.735   3.844
   37   2HB   ASN  29          1HB       ASN  29 -11.016  -8.118   2.922
   38   1HD2  ASN  29          1HD2      ASN  29  -9.012  -9.117   3.027
   39   2HD2  ASN  29          2HD2      ASN  29  -7.666  -8.582   2.085
   40    H    GLU  30           H        GLU  30 -12.345  -4.588   3.761
   41    HA   GLU  30           HA       GLU  30 -10.640  -2.377   2.820
   42   1HB   GLU  30          2HB       GLU  30 -13.364  -2.223   4.126
   43   2HB   GLU  30          1HB       GLU  30 -12.380  -0.843   3.659
   44   1HG   GLU  30          2HG       GLU  30 -12.527  -1.534   1.319
   45   2HG   GLU  30          1HG       GLU  30 -13.531  -2.903   1.792
   46    H    ASP  31           H        ASP  31 -11.640  -4.314   5.487
   47    HA   ASP  31           HA       ASP  31 -10.734  -2.588   7.568
   48   1HB   ASP  31          2HB       ASP  31 -11.214  -5.576   7.563
   49   2HB   ASP  31          1HB       ASP  31 -10.930  -4.601   9.002
   50    H    PHE  32           H        PHE  32  -8.683  -2.022   7.807
   51    HA   PHE  32           HA       PHE  32  -6.493  -3.376   6.665
   52   1HB   PHE  32          2HB       PHE  32  -6.491  -1.365   8.924
   53   2HB   PHE  32          1HB       PHE  32  -5.103  -1.815   7.942
   54    HD1  PHE  32           HD1      PHE  32  -5.097  -1.247   5.506
   55    HD2  PHE  32           HD2      PHE  32  -8.022   0.265   8.202
   56    HE1  PHE  32           HE1      PHE  32  -5.659   0.526   3.896
   57    HE2  PHE  32           HE2      PHE  32  -8.590   2.041   6.596
   58    HZ   PHE  32           HZ       PHE  32  -7.408   2.173   4.440
   59    H    SER  33           H        SER  33  -8.311  -4.168   9.358
   60    HA   SER  33           HA       SER  33  -6.316  -5.145  11.111
   61   1HB   SER  33          2HB       SER  33  -8.598  -4.703  11.877
   62   2HB   SER  33          1HB       SER  33  -9.213  -5.976  10.824
   63    HG   SER  33           HG       SER  33  -7.914  -7.453  12.042
   64    H    GLN  34           H        GLN  34  -7.609  -6.340   8.171
   65    HA   GLN  34           HA       GLN  34  -6.604  -9.043   8.705
   66   1HB   GLN  34          2HB       GLN  34  -8.320  -7.999   6.446
   67   2HB   GLN  34          1HB       GLN  34  -7.798  -9.668   6.622
   68   1HG   GLN  34          2HG       GLN  34  -9.437  -8.228   8.688
   69   2HG   GLN  34          1HG       GLN  34 -10.139  -9.164   7.370
   70   1HE2  GLN  34          1HE2      GLN  34 -11.094 -10.634   8.752
   71   2HE2  GLN  34          2HE2      GLN  34 -10.187 -11.812   9.631
   72    H    TRP  35           H        TRP  35  -5.958  -6.172   6.895
   73    HA   TRP  35           HA       TRP  35  -4.374  -7.248   4.837
   74   1HB   TRP  35          2HB       TRP  35  -4.521  -4.542   6.133
   75   2HB   TRP  35          1HB       TRP  35  -3.299  -4.888   4.914
   76    HD1  TRP  35           HD1      TRP  35  -7.159  -4.985   5.259
   77    HE1  TRP  35           HE1      TRP  35  -8.174  -4.434   2.959
   78    HE3  TRP  35           HE3      TRP  35  -2.849  -4.653   2.529
   79    HZ2  TRP  35           HZ2      TRP  35  -7.268  -3.924   0.335
   80    HZ3  TRP  35           HZ3      TRP  35  -3.010  -4.131   0.130
   81    HH2  TRP  35           HH2      TRP  35  -5.175  -3.776  -0.943
   82    H    SER  36           H        SER  36  -2.682  -8.521   5.160
   83    HA   SER  36           HA       SER  36  -0.852  -7.924   7.379
   84   1HB   SER  36          2HB       SER  36  -0.019 -10.232   7.065
   85   2HB   SER  36          1HB       SER  36  -1.754 -10.199   7.384
   86    HG   SER  36           HG       SER  36  -1.899 -11.310   5.613
   87    H    VAL  37           H        VAL  37   1.476  -8.931   6.668
   88    HA   VAL  37           HA       VAL  37   2.620  -7.031   4.991
   89    HB   VAL  37           HB       VAL  37   3.660  -9.754   5.786
   90   1HG1  VAL  37          3HG1      VAL  37   5.111  -7.456   4.478
   91   2HG1  VAL  37          2HG1      VAL  37   5.887  -8.879   5.173
   92   3HG1  VAL  37          1HG1      VAL  37   4.814  -9.050   3.783
   93   1HG2  VAL  37          3HG2      VAL  37   3.259  -8.237   7.653
   94   2HG2  VAL  37          2HG2      VAL  37   4.987  -8.486   7.407
   95   3HG2  VAL  37          1HG2      VAL  37   4.226  -6.992   6.861
   96    H    ASP  38           H        ASP  38   1.744 -10.403   4.276
   97    HA   ASP  38           HA       ASP  38   2.708 -10.506   1.659
   98   1HB   ASP  38          2HB       ASP  38   0.355 -11.958   2.882
   99   2HB   ASP  38          1HB       ASP  38   1.116 -12.384   1.352
  100    H    ASP  39           H        ASP  39  -0.515  -9.593   2.842
  101    HA   ASP  39           HA       ASP  39  -1.707  -9.223   0.327
  102   1HB   ASP  39          2HB       ASP  39  -2.339  -7.977   3.005
  103   2HB   ASP  39          1HB       ASP  39  -3.359  -7.811   1.580
  104    H    VAL  40           H        VAL  40  -0.310  -6.804   2.541
  105    HA   VAL  40           HA       VAL  40  -0.732  -4.553   0.966
  106    HB   VAL  40           HB       VAL  40   1.541  -5.062   2.889
  107   1HG1  VAL  40          1HG1      VAL  40   0.456  -2.472   1.787
  108   2HG1  VAL  40          3HG1      VAL  40   1.663  -2.614   3.066
  109   3HG1  VAL  40          2HG1      VAL  40   2.034  -3.178   1.436
  110   1HG2  VAL  40          1HG2      VAL  40  -0.665  -5.350   3.901
  111   2HG2  VAL  40          3HG2      VAL  40   0.133  -3.903   4.516
  112   3HG2  VAL  40          2HG2      VAL  40  -1.148  -3.760   3.312
  113    H    ILE  41           H        ILE  41   2.101  -6.707   1.038
  114    HA   ILE  41           HA       ILE  41   3.728  -5.277  -0.713
  115    HB   ILE  41           HB       ILE  41   3.562  -8.247  -0.222
  116   1HG1  ILE  41          2HG1      ILE  41   5.591  -6.200   0.695
  117   2HG1  ILE  41          1HG1      ILE  41   4.231  -6.746   1.670
  118   1HG2  ILE  41          1HG2      ILE  41   5.627  -6.694  -1.779
  119   2HG2  ILE  41          3HG2      ILE  41   5.803  -8.371  -1.266
  120   3HG2  ILE  41          2HG2      ILE  41   4.534  -7.928  -2.407
  121   1HD1  ILE  41          3HD1      ILE  41   5.113  -9.027   1.599
  122   2HD1  ILE  41          2HD1      ILE  41   6.487  -8.455   0.652
  123   3HD1  ILE  41          1HD1      ILE  41   6.261  -7.891   2.307
  124    H    THR  42           H        THR  42   1.724  -8.117  -1.539
  125    HA   THR  42           HA       THR  42   2.120  -8.109  -4.263
  126    HB   THR  42           HB       THR  42  -0.455  -8.838  -2.861
  127    HG1  THR  42           HG1      THR  42   1.618 -10.610  -3.638
  128   1HG2  THR  42          1HG2      THR  42   0.657  -9.645  -5.551
  129   2HG2  THR  42          3HG2      THR  42  -0.781 -10.335  -4.799
  130   3HG2  THR  42          2HG2      THR  42  -0.759  -8.634  -5.264
  131    H    TRP  43           H        TRP  43  -0.792  -6.734  -2.702
  132    HA   TRP  43           HA       TRP  43  -1.913  -5.548  -4.906
  133   1HB   TRP  43          2HB       TRP  43  -3.091  -5.626  -2.801
  134   2HB   TRP  43          1HB       TRP  43  -1.907  -4.563  -2.049
  135    HD1  TRP  43           HD1      TRP  43  -4.838  -4.494  -4.527
  136    HE1  TRP  43           HE1      TRP  43  -5.655  -2.065  -4.756
  137    HE3  TRP  43           HE3      TRP  43  -1.191  -2.152  -1.815
  138    HZ2  TRP  43           HZ2      TRP  43  -4.858   0.505  -3.903
  139    HZ3  TRP  43           HZ3      TRP  43  -1.291   0.295  -1.570
  140    HH2  TRP  43           HH2      TRP  43  -3.086   1.594  -2.592
  141    H    CYS  44           H        CYS  44   0.357  -4.003  -2.644
  142    HA   CYS  44           HA       CYS  44   0.529  -1.501  -3.765
  143   1HB   CYS  44          2HB       CYS  44   1.623  -1.962  -1.689
  144   2HB   CYS  44          1HB       CYS  44   2.654  -3.179  -2.433
  145    HG   CYS  44           HG       CYS  44   4.599  -1.508  -2.535
  146    H    ILE  45           H        ILE  45   3.008  -3.982  -4.338
  147    HA   ILE  45           HA       ILE  45   4.281  -2.758  -6.474
  148    HB   ILE  45           HB       ILE  45   3.989  -5.732  -6.043
  149   1HG1  ILE  45          2HG1      ILE  45   6.161  -3.930  -4.971
  150   2HG1  ILE  45          1HG1      ILE  45   4.745  -4.387  -4.029
  151   1HG2  ILE  45          3HG2      ILE  45   6.122  -4.119  -7.433
  152   2HG2  ILE  45          2HG2      ILE  45   6.180  -5.858  -7.144
  153   3HG2  ILE  45          1HG2      ILE  45   4.942  -5.182  -8.201
  154   1HD1  ILE  45          3HD1      ILE  45   5.372  -6.740  -4.245
  155   2HD1  ILE  45          2HD1      ILE  45   6.800  -6.266  -5.165
  156   3HD1  ILE  45          1HD1      ILE  45   6.640  -5.784  -3.476
  157    H    SER  46           H        SER  46   1.498  -4.920  -6.491
  158    HA   SER  46           HA       SER  46   1.414  -5.506  -9.218
  159   1HB   SER  46          2HB       SER  46   0.100  -6.746  -7.589
  160   2HB   SER  46          1HB       SER  46  -0.867  -5.312  -7.244
  161    HG   SER  46           HG       SER  46  -0.684  -6.556  -9.788
  162    H    THR  47           H        THR  47   0.866  -2.486  -7.735
  163    HA   THR  47           HA       THR  47  -0.149  -1.469 -10.270
  164    HB   THR  47           HB       THR  47  -2.186  -1.960  -9.004
  165    HG1  THR  47           HG1      THR  47  -1.922   0.848  -8.943
  166   1HG2  THR  47          2HG2      THR  47  -1.276  -1.740  -6.739
  167   2HG2  THR  47          1HG2      THR  47  -1.106  -0.001  -6.976
  168   3HG2  THR  47          3HG2      THR  47  -2.710  -0.737  -6.954
  169    H    LEU  48           H        LEU  48   2.207  -1.166  -8.164
  170    HA   LEU  48           HA       LEU  48   2.065   1.735  -7.854
  171   1HB   LEU  48          2HB       LEU  48   2.830   0.167  -6.003
  172   2HB   LEU  48          1HB       LEU  48   4.299  -0.057  -6.934
  173    HG   LEU  48           HG       LEU  48   3.426   2.711  -6.190
  174   1HD1  LEU  48          3HD1      LEU  48   4.954   0.817  -4.414
  175   2HD1  LEU  48          2HD1      LEU  48   4.736   2.543  -4.132
  176   3HD1  LEU  48          1HD1      LEU  48   3.343   1.464  -4.108
  177   1HD2  LEU  48          2HD2      LEU  48   6.115   1.413  -6.620
  178   2HD2  LEU  48          1HD2      LEU  48   5.269   2.464  -7.756
  179   3HD2  LEU  48          3HD2      LEU  48   5.846   3.109  -6.220
  180    H    GLU  49           H        GLU  49   4.746  -0.435  -8.796
  181    HA   GLU  49           HA       GLU  49   5.198   1.230 -11.155
  182   1HB   GLU  49          2HB       GLU  49   6.583   2.220  -9.390
  183   2HB   GLU  49          1HB       GLU  49   7.341   0.660  -9.102
  184   1HG   GLU  49          2HG       GLU  49   8.774   2.109 -10.422
  185   2HG   GLU  49          1HG       GLU  49   8.288   0.685 -11.339
  186    H    VAL  50           H        VAL  50   7.059  -1.265  -9.447
  187    HA   VAL  50           HA       VAL  50   7.389  -2.723 -11.956
  188    HB   VAL  50           HB       VAL  50   9.062  -4.057 -10.692
  189   1HG1  VAL  50          2HG1      VAL  50   9.725  -2.044 -11.932
  190   2HG1  VAL  50          1HG1      VAL  50   9.466  -1.075 -10.482
  191   3HG1  VAL  50          3HG1      VAL  50  10.733  -2.302 -10.508
  192   1HG2  VAL  50          3HG2      VAL  50   8.411  -2.160  -8.438
  193   2HG2  VAL  50          2HG2      VAL  50   8.076  -3.891  -8.473
  194   3HG2  VAL  50          1HG2      VAL  50   9.742  -3.315  -8.458
  195    H    GLU  51           H        GLU  51   7.716  -5.251 -11.306
  196    HA   GLU  51           HA       GLU  51   5.116  -6.083 -10.208
  197   1HB   GLU  51          2HB       GLU  51   5.492  -8.195 -11.461
  198   2HB   GLU  51          1HB       GLU  51   5.434  -6.784 -12.508
  199   1HG   GLU  51          2HG       GLU  51   7.860  -6.774 -12.655
  200   2HG   GLU  51          1HG       GLU  51   7.940  -8.159 -11.570
  201    H    GLU  52           H        GLU  52   5.617  -8.717  -9.583
  202    HA   GLU  52           HA       GLU  52   7.143  -8.399  -7.166
  203   1HB   GLU  52          2HB       GLU  52   5.753 -10.806  -8.356
  204   2HB   GLU  52          1HB       GLU  52   6.532 -10.796  -6.780
  205   1HG   GLU  52          2HG       GLU  52   4.195 -10.504  -6.453
  206   2HG   GLU  52          1HG       GLU  52   4.989  -8.972  -6.097
  207    H    THR  53           H        THR  53   9.113  -7.858  -8.413
  208    HA   THR  53           HA       THR  53  10.769 -10.242  -8.703
  209    HB   THR  53           HB       THR  53  11.800  -9.444 -10.776
  210    HG1  THR  53           HG1      THR  53  10.785  -7.681 -11.887
  211   1HG2  THR  53          2HG2      THR  53   8.795  -9.654 -10.985
  212   2HG2  THR  53          1HG2      THR  53   9.934  -9.872 -12.314
  213   3HG2  THR  53          3HG2      THR  53   9.931 -11.003 -10.961
  214    H    ASP  54           H        ASP  54  10.732  -6.717  -8.958
  215    HA   ASP  54           HA       ASP  54  13.377  -6.171  -8.330
  216   1HB   ASP  54          2HB       ASP  54  11.151  -4.702  -8.936
  217   2HB   ASP  54          1HB       ASP  54  11.413  -4.259  -7.261
  218    HA   PRO  55           HA       PRO  55  13.934  -6.996  -4.018
  219   1HB   PRO  55          2HB       PRO  55  15.276  -4.360  -3.803
  220   2HB   PRO  55          1HB       PRO  55  15.895  -5.972  -3.428
  221   1HG   PRO  55          2HG       PRO  55  16.714  -4.667  -5.604
  222   2HG   PRO  55          1HG       PRO  55  16.443  -6.421  -5.636
  223   1HD   PRO  55          2HD       PRO  55  14.710  -4.216  -6.681
  224   2HD   PRO  55          1HD       PRO  55  15.069  -5.802  -7.396
  225    H    LEU  56           H        LEU  56  12.155  -4.395  -5.199
  226    HA   LEU  56           HA       LEU  56  11.535  -2.835  -3.008
  227   1HB   LEU  56          2HB       LEU  56  10.745  -2.386  -5.289
  228   2HB   LEU  56          1HB       LEU  56   9.675  -3.772  -5.199
  229    HG   LEU  56           HG       LEU  56   8.546  -2.591  -3.241
  230   1HD1  LEU  56          2HD1      LEU  56  10.090  -0.259  -4.363
  231   2HD1  LEU  56          1HD1      LEU  56   8.792  -0.160  -3.172
  232   3HD1  LEU  56          3HD1      LEU  56  10.302  -0.977  -2.766
  233   1HD2  LEU  56          3HD2      LEU  56   7.542  -2.767  -5.457
  234   2HD2  LEU  56          2HD2      LEU  56   7.184  -1.206  -4.720
  235   3HD2  LEU  56          1HD2      LEU  56   8.415  -1.325  -5.976
  236    H    CYS  57           H        CYS  57  10.193  -5.957  -3.975
  237    HA   CYS  57           HA       CYS  57   8.238  -6.120  -1.935
  238   1HB   CYS  57          2HB       CYS  57   8.134  -8.508  -2.496
  239   2HB   CYS  57          1HB       CYS  57   8.154  -7.518  -3.951
  240    HG   CYS  57           HG       CYS  57  10.412  -8.366  -4.952
  241    H    GLN  58           H        GLN  58  11.634  -6.924  -2.083
  242    HA   GLN  58           HA       GLN  58  11.744  -8.492   0.276
  243   1HB   GLN  58          2HB       GLN  58  13.969  -6.861  -0.957
  244   2HB   GLN  58          1HB       GLN  58  14.144  -8.236   0.126
  245   1HG   GLN  58          2HG       GLN  58  13.001  -8.318  -2.657
  246   2HG   GLN  58          1HG       GLN  58  14.618  -8.839  -2.185
  247   1HE2  GLN  58          1HE2      GLN  58  12.457 -10.344  -3.430
  248   2HE2  GLN  58          2HE2      GLN  58  12.134 -11.678  -2.382
  249    H    ARG  59           H        ARG  59  12.010  -5.050  -0.366
  250    HA   ARG  59           HA       ARG  59  12.945  -4.325   2.221
  251   1HB   ARG  59          2HB       ARG  59  11.481  -2.639   0.183
  252   2HB   ARG  59          1HB       ARG  59  12.390  -2.035   1.562
  253   1HG   ARG  59          2HG       ARG  59  13.570  -3.609  -0.717
  254   2HG   ARG  59          1HG       ARG  59  13.618  -1.852  -0.564
  255   1HD   ARG  59          2HD       ARG  59  14.883  -2.049   1.504
  256   2HD   ARG  59          1HD       ARG  59  14.789  -3.807   1.413
  257    HE   ARG  59           HE       ARG  59  15.957  -3.021  -0.943
  258   1HH1  ARG  59          1HH1      ARG  59  16.663  -2.639   2.448
  259   2HH1  ARG  59          2HH1      ARG  59  18.379  -2.588   2.218
  260   1HH2  ARG  59          1HH2      ARG  59  18.215  -2.958  -1.254
  261   2HH2  ARG  59          2HH2      ARG  59  19.261  -2.772   0.114
  262    H    LEU  60           H        LEU  60   9.732  -4.203   0.698
  263    HA   LEU  60           HA       LEU  60   8.340  -3.180   2.900
  264   1HB   LEU  60          2HB       LEU  60   7.387  -4.988   0.679
  265   2HB   LEU  60          1HB       LEU  60   6.327  -4.179   1.818
  266    HG   LEU  60           HG       LEU  60   8.191  -2.729  -0.061
  267   1HD1  LEU  60          3HD1      LEU  60   6.499  -3.997  -1.303
  268   2HD1  LEU  60          2HD1      LEU  60   5.233  -3.237  -0.339
  269   3HD1  LEU  60          1HD1      LEU  60   6.230  -2.257  -1.414
  270   1HD2  LEU  60          1HD2      LEU  60   7.576  -1.478   1.951
  271   2HD2  LEU  60          3HD2      LEU  60   6.837  -0.782   0.510
  272   3HD2  LEU  60          2HD2      LEU  60   5.869  -1.764   1.609
  273    H    ARG  61           H        ARG  61   8.999  -6.530   1.939
  274    HA   ARG  61           HA       ARG  61   7.467  -7.773   3.939
  275   1HB   ARG  61          2HB       ARG  61   8.383  -8.916   1.929
  276   2HB   ARG  61          1HB       ARG  61   9.986  -8.830   2.648
  277   1HG   ARG  61          2HG       ARG  61   9.257 -10.224   4.498
  278   2HG   ARG  61          1HG       ARG  61   7.623 -10.275   3.832
  279   1HD   ARG  61          2HD       ARG  61   8.786 -12.309   3.262
  280   2HD   ARG  61          1HD       ARG  61   8.520 -11.356   1.802
  281    HE   ARG  61           HE       ARG  61  11.042 -10.711   2.816
  282   1HH1  ARG  61          1HH1      ARG  61   9.382 -13.425   1.396
  283   2HH1  ARG  61          2HH1      ARG  61  10.817 -14.110   0.711
  284   1HH2  ARG  61          1HH2      ARG  61  12.937 -11.607   1.917
  285   2HH2  ARG  61          2HH2      ARG  61  12.837 -13.076   1.005
  286    H    GLU  62           H        GLU  62  10.962  -7.050   3.876
  287    HA   GLU  62           HA       GLU  62  11.646  -8.070   6.351
  288   1HB   GLU  62          2HB       GLU  62  12.737  -5.727   4.807
  289   2HB   GLU  62          1HB       GLU  62  13.436  -6.235   6.337
  290   1HG   GLU  62          2HG       GLU  62  13.184  -7.939   3.870
  291   2HG   GLU  62          1HG       GLU  62  14.654  -7.149   4.436
  292    H    ASN  63           H        ASN  63  10.154  -4.974   5.578
  293    HA   ASN  63           HA       ASN  63  10.177  -4.220   8.399
  294   1HB   ASN  63          2HB       ASN  63   9.124  -2.687   6.011
  295   2HB   ASN  63          1HB       ASN  63   9.292  -2.067   7.649
  296   1HD2  ASN  63          1HD2      ASN  63  10.473  -1.110   5.172
  297   2HD2  ASN  63          2HD2      ASN  63  12.183  -1.133   5.413
  298    H    ASP  64           H        ASP  64   8.735  -5.729   9.251
  299    HA   ASP  64           HA       ASP  64   6.229  -6.396   8.268
  300   1HB   ASP  64          2HB       ASP  64   7.287  -7.594  10.123
  301   2HB   ASP  64          1HB       ASP  64   7.105  -6.181  11.159
  302    H    ILE  65           H        ILE  65   4.984  -4.756   7.503
  303    HA   ILE  65           HA       ILE  65   4.049  -2.782   9.481
  304    HB   ILE  65           HB       ILE  65   4.522  -2.329   6.532
  305   1HG1  ILE  65          2HG1      ILE  65   6.556  -2.255   7.922
  306   2HG1  ILE  65          1HG1      ILE  65   6.159  -0.671   7.268
  307   1HG2  ILE  65          1HG2      ILE  65   3.320  -0.490   8.595
  308   2HG2  ILE  65          3HG2      ILE  65   3.780  -0.019   6.960
  309   3HG2  ILE  65          2HG2      ILE  65   2.495  -1.200   7.208
  310   1HD1  ILE  65          3HD1      ILE  65   5.156  -0.071   9.440
  311   2HD1  ILE  65          2HD1      ILE  65   5.673  -1.632  10.076
  312   3HD1  ILE  65          1HD1      ILE  65   6.875  -0.454   9.547
  313    H    VAL  66           H        VAL  66   2.079  -3.493  10.027
  314    HA   VAL  66           HA       VAL  66   0.350  -4.939   8.321
  315    HB   VAL  66           HB       VAL  66   0.216  -5.071  10.772
  316   1HG1  VAL  66          2HG1      VAL  66   0.653  -2.714  11.273
  317   2HG1  VAL  66          1HG1      VAL  66  -0.931  -2.288  10.626
  318   3HG1  VAL  66          3HG1      VAL  66  -0.811  -3.292  12.072
  319   1HG2  VAL  66          3HG2      VAL  66  -1.717  -5.729   9.429
  320   2HG2  VAL  66          2HG2      VAL  66  -2.212  -5.051  10.980
  321   3HG2  VAL  66          1HG2      VAL  66  -2.338  -4.081   9.513
  322    H    GLY  67           H        GLY  67  -1.801  -4.230   7.608
  323   1HA   GLY  67          1HA       GLY  67  -3.133  -2.844   6.353
  324   2HA   GLY  67          2HA       GLY  67  -1.670  -1.950   5.979
  325    H    ASP  68           H        ASP  68  -2.573  -2.262   9.294
  326    HA   ASP  68           HA       ASP  68  -4.162   0.127   9.404
  327   1HB   ASP  68          2HB       ASP  68  -4.417  -1.813  10.969
  328   2HB   ASP  68          1HB       ASP  68  -2.872  -1.370  11.691
  329    H    LEU  69           H        LEU  69  -0.988  -0.204   8.828
  330    HA   LEU  69           HA       LEU  69  -0.200   2.097  10.479
  331   1HB   LEU  69          2HB       LEU  69   1.266  -0.228   9.351
  332   2HB   LEU  69          1HB       LEU  69   2.139   1.283   9.503
  333    HG   LEU  69           HG       LEU  69   2.062   1.252  11.827
  334   1HD1  LEU  69          2HD1      LEU  69  -0.295  -0.578  11.539
  335   2HD1  LEU  69          1HD1      LEU  69   0.577  -0.413  13.063
  336   3HD1  LEU  69          3HD1      LEU  69  -0.205   0.990  12.336
  337   1HD2  LEU  69          3HD2      LEU  69   3.491  -0.523  10.935
  338   2HD2  LEU  69          2HD2      LEU  69   2.818  -0.952  12.508
  339   3HD2  LEU  69          1HD2      LEU  69   2.141  -1.654  11.038
  340    H    LEU  70           H        LEU  70  -0.354   0.903   7.172
  341    HA   LEU  70           HA       LEU  70   1.128   2.762   5.817
  342   1HB   LEU  70          2HB       LEU  70  -1.401   1.330   5.090
  343   2HB   LEU  70          1HB       LEU  70  -0.670   2.471   3.978
  344    HG   LEU  70           HG       LEU  70   1.466   1.081   4.221
  345   1HD1  LEU  70          1HD1      LEU  70  -0.535  -0.749   5.498
  346   2HD1  LEU  70          3HD1      LEU  70   0.934  -1.345   4.727
  347   3HD1  LEU  70          2HD1      LEU  70   1.045  -0.249   6.104
  348   1HD2  LEU  70          2HD2      LEU  70   0.030   1.115   2.222
  349   2HD2  LEU  70          1HD2      LEU  70   0.761  -0.466   2.499
  350   3HD2  LEU  70          3HD2      LEU  70  -0.931  -0.193   2.911
  351    HA   PRO  71           HA       PRO  71  -2.617   5.818   5.596
  352   1HB   PRO  71          2HB       PRO  71  -4.565   5.554   7.471
  353   2HB   PRO  71          1HB       PRO  71  -4.640   4.775   5.886
  354   1HG   PRO  71          2HG       PRO  71  -3.814   3.625   8.524
  355   2HG   PRO  71          1HG       PRO  71  -4.843   2.915   7.266
  356   1HD   PRO  71          2HD       PRO  71  -2.245   2.240   7.557
  357   2HD   PRO  71          1HD       PRO  71  -3.042   2.281   5.971
  358    H    GLU  72           H        GLU  72  -1.083   4.671   8.426
  359    HA   GLU  72           HA       GLU  72  -1.389   7.233   9.811
  360   1HB   GLU  72          2HB       GLU  72  -1.744   5.157  11.103
  361   2HB   GLU  72          1HB       GLU  72  -0.092   4.670  10.753
  362   1HG   GLU  72          2HG       GLU  72   0.760   6.573  11.989
  363   2HG   GLU  72          1HG       GLU  72  -0.885   7.131  12.294
  364    H    LEU  73           H        LEU  73   0.824   5.499   7.862
  365    HA   LEU  73           HA       LEU  73   3.176   6.888   8.818
  366   1HB   LEU  73          2HB       LEU  73   2.743   5.036   6.475
  367   2HB   LEU  73          1HB       LEU  73   4.295   5.729   6.902
  368    HG   LEU  73           HG       LEU  73   2.680   3.871   8.653
  369   1HD1  LEU  73          3HD1      LEU  73   5.176   3.385   7.036
  370   2HD1  LEU  73          2HD1      LEU  73   4.447   2.245   8.167
  371   3HD1  LEU  73          1HD1      LEU  73   3.575   2.723   6.709
  372   1HD2  LEU  73          3HD2      LEU  73   4.048   5.464   9.925
  373   2HD2  LEU  73          2HD2      LEU  73   4.652   3.814  10.070
  374   3HD2  LEU  73          1HD2      LEU  73   5.469   4.962   9.010
  375    H    CYS  74           H        CYS  74   4.429   8.349   7.591
  376    HA   CYS  74           HA       CYS  74   2.838   9.936   5.698
  377   1HB   CYS  74          2HB       CYS  74   3.815  10.966   7.821
  378   2HB   CYS  74          1HB       CYS  74   5.392  10.789   7.062
  379    HG   CYS  74           HG       CYS  74   5.261  13.160   6.096
  380    H    LEU  75           H        LEU  75   4.552  11.264   4.209
  381    HA   LEU  75           HA       LEU  75   5.428   9.472   2.274
  382   1HB   LEU  75          2HB       LEU  75   6.128  12.344   2.815
  383   2HB   LEU  75          1HB       LEU  75   6.848  11.467   1.479
  384    HG   LEU  75           HG       LEU  75   4.992  12.794   0.686
  385   1HD1  LEU  75          1HD1      LEU  75   5.386  10.644  -0.397
  386   2HD1  LEU  75          3HD1      LEU  75   4.279   9.867   0.734
  387   3HD1  LEU  75          2HD1      LEU  75   3.673  11.066  -0.409
  388   1HD2  LEU  75          1HD2      LEU  75   3.730  12.946   2.772
  389   2HD2  LEU  75          3HD2      LEU  75   2.708  12.412   1.440
  390   3HD2  LEU  75          2HD2      LEU  75   3.284  11.245   2.630
  391    H    GLN  76           H        GLN  76   7.218  10.988   4.923
  392    HA   GLN  76           HA       GLN  76   9.798  10.231   4.208
  393   1HB   GLN  76          2HB       GLN  76  10.291  10.321   6.665
  394   2HB   GLN  76          1HB       GLN  76   9.478  11.746   6.035
  395   1HG   GLN  76          2HG       GLN  76   7.396  11.063   6.980
  396   2HG   GLN  76          1HG       GLN  76   8.061   9.495   7.432
  397   1HE2  GLN  76          1HE2      GLN  76   9.421   9.330   9.181
  398   2HE2  GLN  76          2HE2      GLN  76   9.564  10.580  10.361
  399    H    ASP  77           H        ASP  77   7.429   8.474   6.194
  400    HA   ASP  77           HA       ASP  77   9.012   6.198   6.645
  401   1HB   ASP  77          2HB       ASP  77   5.994   6.407   6.500
  402   2HB   ASP  77          1HB       ASP  77   6.895   5.074   7.216
  403    H    CYS  78           H        CYS  78   6.676   6.997   4.116
  404    HA   CYS  78           HA       CYS  78   6.586   4.589   2.748
  405   1HB   CYS  78          2HB       CYS  78   6.502   7.406   1.643
  406   2HB   CYS  78          1HB       CYS  78   6.050   5.967   0.738
  407    HG   CYS  78           HG       CYS  78   3.941   5.321   2.537
  408    H    GLN  79           H        GLN  79   8.977   7.164   2.650
  409    HA   GLN  79           HA       GLN  79  10.479   6.198   0.468
  410   1HB   GLN  79          2HB       GLN  79  10.669   8.491   1.445
  411   2HB   GLN  79          1HB       GLN  79  11.476   7.789   2.841
  412   1HG   GLN  79          2HG       GLN  79  13.284   7.003   1.412
  413   2HG   GLN  79          1HG       GLN  79  12.470   7.682   0.002
  414   1HE2  GLN  79          1HE2      GLN  79  12.410   9.917  -0.268
  415   2HE2  GLN  79          2HE2      GLN  79  13.466  10.974   0.600
  416    H    ASP  80           H        ASP  80  10.652   5.633   3.955
  417    HA   ASP  80           HA       ASP  80  12.960   4.005   3.917
  418   1HB   ASP  80          2HB       ASP  80  12.142   5.006   5.987
  419   2HB   ASP  80          1HB       ASP  80  10.651   4.076   5.874
  420    H    LEU  81           H        LEU  81   9.587   3.381   3.290
  421    HA   LEU  81           HA       LEU  81   9.793   0.523   3.420
  422   1HB   LEU  81          2HB       LEU  81   7.708   2.487   2.610
  423   2HB   LEU  81          1HB       LEU  81   7.561   0.856   1.996
  424    HG   LEU  81           HG       LEU  81   6.213   1.052   3.967
  425   1HD1  LEU  81          2HD1      LEU  81   8.742  -0.473   4.562
  426   2HD1  LEU  81          1HD1      LEU  81   7.210  -0.665   5.414
  427   3HD1  LEU  81          3HD1      LEU  81   7.325  -1.077   3.703
  428   1HD2  LEU  81          1HD2      LEU  81   8.710   2.022   5.347
  429   2HD2  LEU  81          3HD2      LEU  81   7.261   2.967   4.997
  430   3HD2  LEU  81          2HD2      LEU  81   7.187   1.633   6.150
  431    H    CYS  82           H        CYS  82  10.436   2.938   1.061
  432    HA   CYS  82           HA       CYS  82  10.496   0.967  -1.107
  433   1HB   CYS  82          2HB       CYS  82  10.766   3.979  -1.177
  434   2HB   CYS  82          1HB       CYS  82  10.801   2.930  -2.590
  435    HG   CYS  82           HG       CYS  82   8.122   3.374  -0.504
  436    H    ASP  83           H        ASP  83  12.398   1.747  -2.754
  437    HA   ASP  83           HA       ASP  83  14.767   0.768  -1.678
  438   1HB   ASP  83          2HB       ASP  83  14.325   0.773  -4.078
  439   2HB   ASP  83          1HB       ASP  83  14.382   2.533  -4.104
  440    H    GLY  84           H        GLY  84  13.548   4.046  -1.865
  441   1HA   GLY  84          1HA       GLY  84  16.078   5.083  -0.792
  442   2HA   GLY  84          2HA       GLY  84  14.614   5.293   0.156
  443    H    ASP  85           H        ASP  85  14.027   5.387  -3.175
  444    HA   ASP  85           HA       ASP  85  14.638   8.142  -3.630
  445   1HB   ASP  85          2HB       ASP  85  14.529   6.449  -5.448
  446   2HB   ASP  85          1HB       ASP  85  12.791   6.328  -5.197
  447    H    LEU  86           H        LEU  86  13.229   9.896  -3.767
  448    HA   LEU  86           HA       LEU  86  11.061   9.851  -1.906
  449   1HB   LEU  86          2HB       LEU  86  12.512  11.809  -2.184
  450   2HB   LEU  86          1HB       LEU  86  11.934  12.008  -3.828
  451    HG   LEU  86           HG       LEU  86   9.648  12.417  -2.933
  452   1HD1  LEU  86          2HD1      LEU  86  11.059  12.393  -0.269
  453   2HD1  LEU  86          1HD1      LEU  86   9.397  12.914  -0.548
  454   3HD1  LEU  86          3HD1      LEU  86   9.852  11.232  -0.821
  455   1HD2  LEU  86          1HD2      LEU  86  11.163  14.265  -3.496
  456   2HD2  LEU  86          3HD2      LEU  86  10.095  14.671  -2.154
  457   3HD2  LEU  86          2HD2      LEU  86  11.779  14.252  -1.844
  458    H    ASN  87           H        ASN  87  11.239  10.424  -5.421
  459    HA   ASN  87           HA       ASN  87   8.576  10.779  -5.991
  460   1HB   ASN  87          2HB       ASN  87  10.690   9.347  -7.607
  461   2HB   ASN  87          1HB       ASN  87   9.105   9.779  -8.239
  462   1HD2  ASN  87          1HD2      ASN  87  12.189  10.961  -7.167
  463   2HD2  ASN  87          2HD2      ASN  87  12.024  12.561  -7.797
  464    H    LYS  88           H        LYS  88  10.325   7.705  -5.772
  465    HA   LYS  88           HA       LYS  88   8.261   5.973  -6.449
  466   1HB   LYS  88          2HB       LYS  88  10.765   5.512  -5.991
  467   2HB   LYS  88          1HB       LYS  88  10.278   5.338  -4.313
  468   1HG   LYS  88          2HG       LYS  88  10.338   3.165  -5.203
  469   2HG   LYS  88          1HG       LYS  88   8.629   3.594  -5.102
  470   1HD   LYS  88          2HD       LYS  88   8.527   4.038  -7.446
  471   2HD   LYS  88          1HD       LYS  88  10.280   3.910  -7.604
  472   1HE   LYS  88          2HE       LYS  88   8.394   1.674  -6.867
  473   2HE   LYS  88          1HE       LYS  88   9.166   1.903  -8.435
  474   1HZ   LYS  88          3HZ       LYS  88  11.320   1.626  -7.367
  475   2HZ   LYS  88          2HZ       LYS  88  10.572   1.392  -5.869
  476   3HZ   LYS  88          1HZ       LYS  88  10.343   0.269  -7.113
  477    H    ALA  89           H        ALA  89   9.126   7.356  -3.309
  478    HA   ALA  89           HA       ALA  89   7.214   5.957  -1.779
  479   1HB   ALA  89          3HB       ALA  89   9.190   7.137  -0.849
  480   2HB   ALA  89          1HB       ALA  89   7.679   7.539  -0.032
  481   3HB   ALA  89          2HB       ALA  89   8.385   8.671  -1.185
  482    H    ILE  90           H        ILE  90   7.032   8.856  -3.723
  483    HA   ILE  90           HA       ILE  90   4.647   9.924  -2.682
  484    HB   ILE  90           HB       ILE  90   5.701  10.124  -5.507
  485   1HG1  ILE  90          2HG1      ILE  90   6.041  11.992  -3.147
  486   2HG1  ILE  90          1HG1      ILE  90   7.286  10.916  -3.773
  487   1HG2  ILE  90          3HG2      ILE  90   3.346  10.711  -5.376
  488   2HG2  ILE  90          2HG2      ILE  90   3.679  11.818  -4.043
  489   3HG2  ILE  90          1HG2      ILE  90   4.326  12.151  -5.650
  490   1HD1  ILE  90          1HD1      ILE  90   7.250  12.130  -5.898
  491   2HD1  ILE  90          3HD1      ILE  90   6.025  13.218  -5.247
  492   3HD1  ILE  90          2HD1      ILE  90   7.639  13.184  -4.538
  493    H    LYS  91           H        LYS  91   5.159   7.881  -5.565
  494    HA   LYS  91           HA       LYS  91   2.475   7.524  -6.227
  495   1HB   LYS  91          2HB       LYS  91   4.822   5.664  -6.635
  496   2HB   LYS  91          1HB       LYS  91   3.249   5.446  -7.387
  497   1HG   LYS  91          2HG       LYS  91   5.020   7.852  -7.770
  498   2HG   LYS  91          1HG       LYS  91   4.902   6.488  -8.884
  499   1HD   LYS  91          2HD       LYS  91   2.559   8.200  -8.068
  500   2HD   LYS  91          1HD       LYS  91   3.524   8.481  -9.519
  501   1HE   LYS  91          2HE       LYS  91   2.013   5.948  -8.889
  502   2HE   LYS  91          1HE       LYS  91   1.462   7.215  -9.984
  503   1HZ   LYS  91          2HZ       LYS  91   3.930   5.597 -10.319
  504   2HZ   LYS  91          1HZ       LYS  91   2.491   5.387 -11.182
  505   3HZ   LYS  91          3HZ       LYS  91   3.393   6.806 -11.373
  506    H    PHE  92           H        PHE  92   4.500   5.856  -3.900
  507    HA   PHE  92           HA       PHE  92   2.827   3.676  -3.340
  508   1HB   PHE  92          2HB       PHE  92   5.168   3.828  -2.603
  509   2HB   PHE  92          1HB       PHE  92   4.743   5.134  -1.506
  510    HD1  PHE  92           HD1      PHE  92   3.189   1.806  -2.201
  511    HD2  PHE  92           HD2      PHE  92   4.960   4.417   0.651
  512    HE1  PHE  92           HE1      PHE  92   2.756   0.157  -0.425
  513    HE2  PHE  92           HE2      PHE  92   4.529   2.777   2.432
  514    HZ   PHE  92           HZ       PHE  92   3.430   0.640   1.894
  515    H    LYS  93           H        LYS  93   3.212   6.676  -1.436
  516    HA   LYS  93           HA       LYS  93   1.082   6.245   0.305
  517   1HB   LYS  93          2HB       LYS  93   2.815   7.959   0.656
  518   2HB   LYS  93          1HB       LYS  93   2.161   8.891  -0.684
  519   1HG   LYS  93          2HG       LYS  93   1.380   9.871   1.336
  520   2HG   LYS  93          1HG       LYS  93   0.013   9.055   0.575
  521   1HD   LYS  93          2HD       LYS  93   0.491   7.087   2.064
  522   2HD   LYS  93          1HD       LYS  93   1.656   8.103   2.915
  523   1HE   LYS  93          2HE       LYS  93  -0.442   8.120   4.105
  524   2HE   LYS  93          1HE       LYS  93  -0.153   9.711   3.401
  525   1HZ   LYS  93          3HZ       LYS  93  -1.925   7.617   2.259
  526   2HZ   LYS  93          2HZ       LYS  93  -2.442   8.995   3.091
  527   3HZ   LYS  93          1HZ       LYS  93  -1.659   9.153   1.600
  528    H    ILE  94           H        ILE  94   1.140   7.634  -2.917
  529    HA   ILE  94           HA       ILE  94  -1.381   8.814  -2.986
  530    HB   ILE  94           HB       ILE  94   0.324   7.571  -5.120
  531   1HG1  ILE  94          2HG1      ILE  94  -0.606  10.413  -4.659
  532   2HG1  ILE  94          1HG1      ILE  94   0.938   9.769  -4.115
  533   1HG2  ILE  94          2HG2      ILE  94  -1.986   7.156  -5.777
  534   2HG2  ILE  94          1HG2      ILE  94  -2.372   8.859  -5.532
  535   3HG2  ILE  94          3HG2      ILE  94  -1.251   8.386  -6.808
  536   1HD1  ILE  94          1HD1      ILE  94   0.034  10.002  -6.976
  537   2HD1  ILE  94          3HD1      ILE  94   1.188  11.055  -6.156
  538   3HD1  ILE  94          2HD1      ILE  94   1.583   9.358  -6.431
  539    H    LEU  95           H        LEU  95  -0.541   5.623  -4.341
  540    HA   LEU  95           HA       LEU  95  -3.060   4.711  -4.898
  541   1HB   LEU  95          2HB       LEU  95  -0.607   3.249  -3.980
  542   2HB   LEU  95          1HB       LEU  95  -2.085   2.401  -4.401
  543    HG   LEU  95           HG       LEU  95  -0.788   4.302  -6.330
  544   1HD1  LEU  95          2HD1      LEU  95   0.908   2.689  -5.664
  545   2HD1  LEU  95          1HD1      LEU  95  -0.206   1.367  -6.009
  546   3HD1  LEU  95          3HD1      LEU  95   0.367   2.401  -7.317
  547   1HD2  LEU  95          2HD2      LEU  95  -3.094   3.580  -6.766
  548   2HD2  LEU  95          1HD2      LEU  95  -1.971   2.958  -7.975
  549   3HD2  LEU  95          3HD2      LEU  95  -2.571   1.897  -6.702
  550    H    ILE  96           H        ILE  96  -1.427   4.836  -1.799
  551    HA   ILE  96           HA       ILE  96  -3.334   3.252  -0.413
  552    HB   ILE  96           HB       ILE  96  -1.434   5.304   0.727
  553   1HG1  ILE  96          2HG1      ILE  96  -1.053   2.313   0.520
  554   2HG1  ILE  96          1HG1      ILE  96  -0.388   3.455  -0.643
  555   1HG2  ILE  96          3HG2      ILE  96  -2.876   3.002   2.038
  556   2HG2  ILE  96          2HG2      ILE  96  -1.677   4.036   2.815
  557   3HG2  ILE  96          1HG2      ILE  96  -3.212   4.717   2.277
  558   1HD1  ILE  96          2HD1      ILE  96   0.891   4.515   1.163
  559   2HD1  ILE  96          1HD1      ILE  96   0.252   3.322   2.294
  560   3HD1  ILE  96          3HD1      ILE  96   1.290   2.809   0.965
  561    H    ASN  97           H        ASN  97  -3.016   6.695  -1.039
  562    HA   ASN  97           HA       ASN  97  -4.917   7.651   0.776
  563   1HB   ASN  97          2HB       ASN  97  -3.376   9.131  -0.411
  564   2HB   ASN  97          1HB       ASN  97  -4.162   8.751  -1.939
  565   1HD2  ASN  97          1HD2      ASN  97  -6.204   9.588  -2.373
  566   2HD2  ASN  97          2HD2      ASN  97  -6.860  10.912  -1.477
  567    H    LYS  98           H        LYS  98  -5.314   6.676  -2.627
  568    HA   LYS  98           HA       LYS  98  -8.071   7.239  -2.772
  569   1HB   LYS  98          2HB       LYS  98  -6.113   5.752  -4.410
  570   2HB   LYS  98          1HB       LYS  98  -7.794   5.281  -4.617
  571   1HG   LYS  98          2HG       LYS  98  -7.252   6.939  -6.250
  572   2HG   LYS  98          1HG       LYS  98  -8.356   7.649  -5.072
  573   1HD   LYS  98          2HD       LYS  98  -6.684   9.275  -5.475
  574   2HD   LYS  98          1HD       LYS  98  -6.310   8.567  -3.902
  575   1HE   LYS  98          2HE       LYS  98  -4.294   8.822  -5.243
  576   2HE   LYS  98          1HE       LYS  98  -4.643   7.120  -4.943
  577   1HZ   LYS  98          3HZ       LYS  98  -5.621   6.982  -7.160
  578   2HZ   LYS  98          2HZ       LYS  98  -5.244   8.605  -7.444
  579   3HZ   LYS  98          1HZ       LYS  98  -4.004   7.475  -7.234
  580    H    MET  99           H        MET  99  -6.374   4.153  -2.195
  581    HA   MET  99           HA       MET  99  -8.700   2.601  -1.900
  582   1HB   MET  99          2HB       MET  99  -6.338   1.757  -2.244
  583   2HB   MET  99          1HB       MET  99  -6.062   2.069  -0.535
  584   1HG   MET  99          2HG       MET  99  -7.895   0.522   0.017
  585   2HG   MET  99          1HG       MET  99  -8.092   0.176  -1.700
  586   1HE   MET  99          1HE       MET  99  -5.881  -0.230   1.474
  587   2HE   MET  99          3HE       MET  99  -4.418  -0.983   0.838
  588   3HE   MET  99          2HE       MET  99  -4.791   0.695   0.440
  589    H    ARG 100           H        ARG 100  -7.141   4.815   0.234
  590    HA   ARG 100           HA       ARG 100  -8.251   3.774   2.664
  591   1HB   ARG 100          2HB       ARG 100  -6.184   5.105   2.649
  592   2HB   ARG 100          1HB       ARG 100  -7.080   6.498   2.063
  593   1HG   ARG 100          2HG       ARG 100  -8.413   6.472   4.141
  594   2HG   ARG 100          1HG       ARG 100  -7.416   5.140   4.728
  595   1HD   ARG 100          2HD       ARG 100  -5.429   6.561   4.566
  596   2HD   ARG 100          1HD       ARG 100  -6.425   7.890   3.978
  597    HE   ARG 100           HE       ARG 100  -7.415   6.983   6.456
  598   1HH1  ARG 100          1HH1      ARG 100  -4.727   8.731   5.088
  599   2HH1  ARG 100          2HH1      ARG 100  -4.441   9.665   6.518
  600   1HH2  ARG 100          1HH2      ARG 100  -7.046   8.210   8.343
  601   2HH2  ARG 100          2HH2      ARG 100  -5.758   9.368   8.368
  602    H    ASP 101           H        ASP 101  -8.945   6.662   0.689
  603    HA   ASP 101           HA       ASP 101 -11.316   7.292   2.164
  604   1HB   ASP 101          2HB       ASP 101 -10.281   8.325  -0.484
  605   2HB   ASP 101          1HB       ASP 101 -11.676   8.982   0.365
  606    H    SER 102           H        SER 102 -10.599   5.050  -0.233
  607    HA   SER 102           HA       SER 102 -11.839   3.624  -1.489
  608   1HB   SER 102          2HB       SER 102 -14.077   4.551   0.325
  609   2HB   SER 102          1HB       SER 102 -14.158   3.158  -0.751
  610    HG   SER 102           HG       SER 102 -12.598   2.145   0.457
  611    H    LYS 103           H        LYS 103 -13.999   3.516  -2.835
  612    HA   LYS 103           HA       LYS 103 -13.865   5.516  -4.769
  613   1HB   LYS 103          2HB       LYS 103 -15.925   4.531  -5.691
  614   2HB   LYS 103          1HB       LYS 103 -14.745   3.304  -5.267
  615   1HG   LYS 103          2HG       LYS 103 -16.853   4.040  -3.304
  616   2HG   LYS 103          1HG       LYS 103 -17.264   3.012  -4.677
  617   1HD   LYS 103          2HD       LYS 103 -15.280   1.574  -3.993
  618   2HD   LYS 103          1HD       LYS 103 -15.275   2.492  -2.484
  619   1HE   LYS 103          2HE       LYS 103 -17.590   1.841  -2.077
  620   2HE   LYS 103          1HE       LYS 103 -17.601   0.930  -3.586
  621   1HZ   LYS 103          2HZ       LYS 103 -15.841   0.373  -1.256
  622   2HZ   LYS 103          1HZ       LYS 103 -17.231  -0.502  -1.665
  623   3HZ   LYS 103          3HZ       LYS 103 -15.889  -0.514  -2.696
  624    H    LEU 104           H        LEU 104 -14.816   7.440  -5.039
  625    HA   LEU 104           HA       LEU 104 -16.730   8.301  -2.977
  626   1HB   LEU 104          2HB       LEU 104 -14.976  10.018  -4.733
  627   2HB   LEU 104          1HB       LEU 104 -16.002  10.576  -3.426
  628    HG   LEU 104           HG       LEU 104 -13.584   8.795  -3.100
  629   1HD1  LEU 104          1HD1      LEU 104 -12.977  11.060  -3.767
  630   2HD1  LEU 104          3HD1      LEU 104 -13.970  11.717  -2.465
  631   3HD1  LEU 104          2HD1      LEU 104 -12.541  10.755  -2.084
  632   1HD2  LEU 104          1HD2      LEU 104 -15.382  10.098  -1.057
  633   2HD2  LEU 104          3HD2      LEU 104 -15.261   8.371  -1.395
  634   3HD2  LEU 104          2HD2      LEU 104 -13.886   9.233  -0.704
  635    H    GLU 105           H        GLU 105 -16.023   9.702  -6.151
  636    HA   GLU 105           HA       GLU 105 -18.672   8.974  -7.125
  637   1HB   GLU 105          2HB       GLU 105 -17.733  11.827  -6.801
  638   2HB   GLU 105          1HB       GLU 105 -19.087  11.362  -7.820
  639   1HG   GLU 105          2HG       GLU 105 -18.958  10.745  -4.884
  640   2HG   GLU 105          1HG       GLU 105 -19.668  12.221  -5.534
  641    H    TRP 106           H        TRP 106 -17.487   7.695  -8.619
  642    HA   TRP 106           HA       TRP 106 -16.357   9.272 -10.823
  643   1HB   TRP 106          2HB       TRP 106 -15.171   6.716  -9.723
  644   2HB   TRP 106          1HB       TRP 106 -14.617   7.554 -11.168
  645    HD1  TRP 106           HD1      TRP 106 -14.318  10.471 -10.273
  646    HE1  TRP 106           HE1      TRP 106 -12.640  11.166  -8.449
  647    HE3  TRP 106           HE3      TRP 106 -13.743   5.961  -7.940
  648    HZ2  TRP 106           HZ2      TRP 106 -11.253   9.958  -6.304
  649    HZ3  TRP 106           HZ3      TRP 106 -12.223   5.813  -6.012
  650    HH2  TRP 106           HH2      TRP 106 -11.004   7.772  -5.212
  651    H    LYS 107           H        LYS 107 -18.865   7.579 -10.053
  652    HA   LYS 107           HA       LYS 107 -18.934   6.048 -12.569
  653   1HB   LYS 107          2HB       LYS 107 -20.739   4.678 -11.411
  654   2HB   LYS 107          1HB       LYS 107 -19.091   4.443 -10.846
  655   1HG   LYS 107          2HG       LYS 107 -19.533   5.900  -8.938
  656   2HG   LYS 107          1HG       LYS 107 -21.186   6.145  -9.508
  657   1HD   LYS 107          2HD       LYS 107 -21.649   3.771  -9.250
  658   2HD   LYS 107          1HD       LYS 107 -19.981   3.484  -8.747
  659   1HE   LYS 107          2HE       LYS 107 -21.994   5.202  -7.300
  660   2HE   LYS 107          1HE       LYS 107 -21.502   3.576  -6.830
  661   1HZ   LYS 107          3HZ       LYS 107 -19.228   4.414  -6.563
  662   2HZ   LYS 107          2HZ       LYS 107 -19.759   5.978  -6.931
  663   3HZ   LYS 107          1HZ       LYS 107 -20.318   5.203  -5.536
  664    H    ASP 108           H        ASP 108 -19.920   7.378 -13.967
  665    HA   ASP 108           HA       ASP 108 -22.545   8.455 -13.180
  666   1HB   ASP 108          2HB       ASP 108 -22.061  10.346 -14.791
  667   2HB   ASP 108          1HB       ASP 108 -21.099  10.343 -13.318

  No H/Q in entry =         667
  Start of MODEL   10
    1    H1   GLY  24          3H        GLY  24  -3.680 -11.017  -3.920
    2    H2   GLY  24          2H        GLY  24  -2.437 -11.367  -2.829
    3    H3   GLY  24          1H        GLY  24  -2.071 -10.712  -4.344
    4   1HA   GLY  24          2HA       GLY  24  -1.574 -13.076  -4.290
    5   2HA   GLY  24          1HA       GLY  24  -2.837 -12.700  -5.452
    6    H    SER  25           H        SER  25  -2.410 -15.253  -4.365
    7    HA   SER  25           HA       SER  25  -3.543 -17.015  -3.497
    8   1HB   SER  25          2HB       SER  25  -4.445 -14.980  -1.444
    9   2HB   SER  25          1HB       SER  25  -4.612 -16.728  -1.288
   10    HG   SER  25           HG       SER  25  -2.569 -15.290  -0.559
   11    H    HIS  26           H        HIS  26  -5.966 -14.661  -2.462
   12    HA   HIS  26           HA       HIS  26  -7.844 -15.876  -4.382
   13   1HB   HIS  26          2HB       HIS  26  -8.483 -14.646  -1.693
   14   2HB   HIS  26          1HB       HIS  26  -9.629 -15.421  -2.782
   15    HD1  HIS  26           HD1      HIS  26  -6.893 -16.183  -0.346
   16    HD2  HIS  26           HD2      HIS  26  -9.625 -18.214  -2.728
   17    HE1  HIS  26           HE1      HIS  26  -6.819 -18.573   0.434
   18    HE2  HIS  26           HE2      HIS  26  -8.461 -19.789  -1.038
   19    H    MET  27           H        MET  27  -7.128 -12.889  -2.597
   20    HA   MET  27           HA       MET  27  -7.468 -10.696  -3.071
   21   1HB   MET  27          2HB       MET  27  -6.006 -11.257  -4.990
   22   2HB   MET  27          1HB       MET  27  -7.432 -11.642  -5.945
   23   1HG   MET  27          2HG       MET  27  -8.187  -9.347  -5.800
   24   2HG   MET  27          1HG       MET  27  -6.821  -8.943  -4.761
   25   1HE   MET  27          3HE       MET  27  -4.418 -10.483  -6.034
   26   2HE   MET  27          2HE       MET  27  -3.783  -9.302  -7.180
   27   3HE   MET  27          1HE       MET  27  -4.317  -8.782  -5.582
   28    H    ASN  28           H        ASN  28  -9.595 -11.010  -2.089
   29    HA   ASN  28           HA       ASN  28 -11.696 -10.198  -3.937
   30   1HB   ASN  28          2HB       ASN  28 -11.900 -12.602  -2.118
   31   2HB   ASN  28          1HB       ASN  28 -13.299 -11.812  -2.839
   32   1HD2  ASN  28          1HD2      ASN  28 -10.517 -13.795  -3.401
   33   2HD2  ASN  28          2HD2      ASN  28 -10.927 -14.274  -5.009
   34    H    ASN  29           H        ASN  29 -10.688 -10.783  -0.602
   35    HA   ASN  29           HA       ASN  29 -12.727  -9.344   0.677
   36   1HB   ASN  29          2HB       ASN  29 -11.151  -9.203   2.590
   37   2HB   ASN  29          1HB       ASN  29 -11.257 -10.829   1.920
   38   1HD2  ASN  29          1HD2      ASN  29  -9.273  -8.009   2.312
   39   2HD2  ASN  29          2HD2      ASN  29  -7.787  -8.737   1.816
   40    H    GLU  30           H        GLU  30 -12.955  -7.216   1.255
   41    HA   GLU  30           HA       GLU  30 -11.219  -5.337  -0.174
   42   1HB   GLU  30          2HB       GLU  30 -13.943  -4.929   1.069
   43   2HB   GLU  30          1HB       GLU  30 -13.038  -3.705   0.189
   44   1HG   GLU  30          2HG       GLU  30 -13.125  -5.113  -1.822
   45   2HG   GLU  30          1HG       GLU  30 -14.081  -6.296  -0.933
   46    H    ASP  31           H        ASP  31 -12.289  -6.226   3.026
   47    HA   ASP  31           HA       ASP  31 -11.540  -3.973   4.478
   48   1HB   ASP  31          2HB       ASP  31 -12.794  -5.813   5.475
   49   2HB   ASP  31          1HB       ASP  31 -11.408  -6.885   5.293
   50    H    PHE  32           H        PHE  32  -9.640  -2.980   4.527
   51    HA   PHE  32           HA       PHE  32  -7.205  -4.439   3.903
   52   1HB   PHE  32          2HB       PHE  32  -6.141  -2.261   3.757
   53   2HB   PHE  32          1HB       PHE  32  -7.643  -2.250   2.839
   54    HD1  PHE  32           HD1      PHE  32  -5.809  -0.818   5.598
   55    HD2  PHE  32           HD2      PHE  32  -9.637  -1.096   3.760
   56    HE1  PHE  32           HE1      PHE  32  -6.551   1.165   6.853
   57    HE2  PHE  32           HE2      PHE  32 -10.385   0.887   5.011
   58    HZ   PHE  32           HZ       PHE  32  -8.841   2.020   6.559
   59    H    SER  33           H        SER  33  -8.910  -3.528   6.675
   60    HA   SER  33           HA       SER  33  -6.738  -2.967   8.416
   61   1HB   SER  33          2HB       SER  33  -8.350  -3.251  10.229
   62   2HB   SER  33          1HB       SER  33  -9.067  -2.307   8.923
   63    HG   SER  33           HG       SER  33 -10.144  -4.346   9.990
   64    H    GLN  34           H        GLN  34  -7.869  -5.853   7.020
   65    HA   GLN  34           HA       GLN  34  -6.521  -7.475   9.071
   66   1HB   GLN  34          2HB       GLN  34  -8.592  -8.204   7.002
   67   2HB   GLN  34          1HB       GLN  34  -7.708  -9.405   7.935
   68   1HG   GLN  34          2HG       GLN  34  -8.604  -8.461  10.001
   69   2HG   GLN  34          1HG       GLN  34  -9.491  -7.259   9.067
   70   1HE2  GLN  34          1HE2      GLN  34 -10.128  -9.144   6.936
   71   2HE2  GLN  34          2HE2      GLN  34 -11.367 -10.175   7.560
   72    H    TRP  35           H        TRP  35  -5.659  -5.969   6.394
   73    HA   TRP  35           HA       TRP  35  -4.500  -8.034   4.811
   74   1HB   TRP  35          2HB       TRP  35  -4.217  -5.052   4.925
   75   2HB   TRP  35          1HB       TRP  35  -3.075  -5.997   3.978
   76    HD1  TRP  35           HD1      TRP  35  -6.583  -7.362   3.959
   77    HE1  TRP  35           HE1      TRP  35  -7.684  -6.876   1.684
   78    HE3  TRP  35           HE3      TRP  35  -3.106  -4.138   2.043
   79    HZ2  TRP  35           HZ2      TRP  35  -7.151  -5.329  -0.618
   80    HZ3  TRP  35           HZ3      TRP  35  -3.477  -3.200  -0.201
   81    HH2  TRP  35           HH2      TRP  35  -5.458  -3.785  -1.503
   82    H    SER  36           H        SER  36  -2.512  -8.940   4.871
   83    HA   SER  36           HA       SER  36  -0.857  -8.316   7.209
   84   1HB   SER  36          2HB       SER  36  -0.837 -10.739   5.392
   85   2HB   SER  36          1HB       SER  36   0.184 -10.522   6.814
   86    HG   SER  36           HG       SER  36  -2.236 -10.090   7.654
   87    H    VAL  37           H        VAL  37   1.582  -9.151   6.559
   88    HA   VAL  37           HA       VAL  37   2.661  -7.033   5.073
   89    HB   VAL  37           HB       VAL  37   3.957  -9.678   5.754
   90   1HG1  VAL  37          2HG1      VAL  37   5.170  -7.034   4.957
   91   2HG1  VAL  37          1HG1      VAL  37   6.073  -8.430   5.544
   92   3HG1  VAL  37          3HG1      VAL  37   5.191  -8.529   4.021
   93   1HG2  VAL  37          2HG2      VAL  37   3.939  -7.056   7.246
   94   2HG2  VAL  37          1HG2      VAL  37   3.128  -8.544   7.737
   95   3HG2  VAL  37          3HG2      VAL  37   4.890  -8.476   7.682
   96    H    ASP  38           H        ASP  38   2.404 -10.487   4.219
   97    HA   ASP  38           HA       ASP  38   3.444 -10.255   1.628
   98   1HB   ASP  38          2HB       ASP  38   3.266 -12.405   2.741
   99   2HB   ASP  38          1HB       ASP  38   1.508 -12.281   2.762
  100    H    ASP  39           H        ASP  39   0.191  -9.778   2.855
  101    HA   ASP  39           HA       ASP  39  -1.138  -9.818   0.355
  102   1HB   ASP  39          2HB       ASP  39  -1.890  -8.537   2.986
  103   2HB   ASP  39          1HB       ASP  39  -2.964  -8.625   1.594
  104    H    VAL  40           H        VAL  40  -0.030  -7.095   2.375
  105    HA   VAL  40           HA       VAL  40  -0.821  -5.064   0.600
  106    HB   VAL  40           HB       VAL  40   1.426  -4.976   2.617
  107   1HG1  VAL  40          2HG1      VAL  40  -0.157  -2.755   1.326
  108   2HG1  VAL  40          1HG1      VAL  40   1.034  -2.554   2.611
  109   3HG1  VAL  40          3HG1      VAL  40   1.538  -3.140   1.026
  110   1HG2  VAL  40          3HG2      VAL  40  -0.732  -5.659   3.591
  111   2HG2  VAL  40          2HG2      VAL  40  -0.207  -4.077   4.164
  112   3HG2  VAL  40          1HG2      VAL  40  -1.470  -4.196   2.940
  113    H    ILE  41           H        ILE  41   2.256  -6.790   0.945
  114    HA   ILE  41           HA       ILE  41   3.808  -5.262  -0.786
  115    HB   ILE  41           HB       ILE  41   3.942  -8.207  -0.151
  116   1HG1  ILE  41          2HG1      ILE  41   5.722  -5.939   0.749
  117   2HG1  ILE  41          1HG1      ILE  41   4.323  -6.485   1.665
  118   1HG2  ILE  41          3HG2      ILE  41   5.904  -6.507  -1.685
  119   2HG2  ILE  41          2HG2      ILE  41   6.249  -8.118  -1.057
  120   3HG2  ILE  41          1HG2      ILE  41   5.006  -7.899  -2.290
  121   1HD1  ILE  41          2HD1      ILE  41   6.710  -8.168   0.947
  122   2HD1  ILE  41          1HD1      ILE  41   6.402  -7.426   2.517
  123   3HD1  ILE  41          3HD1      ILE  41   5.323  -8.681   1.909
  124    H    THR  42           H        THR  42   2.078  -8.289  -1.573
  125    HA   THR  42           HA       THR  42   2.657  -8.341  -4.286
  126    HB   THR  42           HB       THR  42   0.113  -9.329  -2.987
  127    HG1  THR  42           HG1      THR  42   2.231 -10.101  -2.143
  128   1HG2  THR  42          3HG2      THR  42   1.493 -10.138  -5.550
  129   2HG2  THR  42          2HG2      THR  42   0.081 -10.934  -4.853
  130   3HG2  THR  42          1HG2      THR  42  -0.035  -9.267  -5.422
  131    H    TRP  43           H        TRP  43  -0.398  -7.164  -2.824
  132    HA   TRP  43           HA       TRP  43  -1.537  -6.198  -5.163
  133   1HB   TRP  43          2HB       TRP  43  -2.812  -6.406  -3.092
  134   2HB   TRP  43          1HB       TRP  43  -1.861  -5.120  -2.355
  135    HD1  TRP  43           HD1      TRP  43  -4.587  -5.678  -4.999
  136    HE1  TRP  43           HE1      TRP  43  -5.747  -3.428  -5.467
  137    HE3  TRP  43           HE3      TRP  43  -1.555  -2.615  -2.250
  138    HZ2  TRP  43           HZ2      TRP  43  -5.416  -0.713  -4.765
  139    HZ3  TRP  43           HZ3      TRP  43  -2.045  -0.204  -2.201
  140    HH2  TRP  43           HH2      TRP  43  -3.937   0.725  -3.433
  141    H    CYS  44           H        CYS  44   0.299  -4.342  -2.741
  142    HA   CYS  44           HA       CYS  44   0.282  -1.860  -3.875
  143   1HB   CYS  44          2HB       CYS  44   1.328  -2.168  -1.749
  144   2HB   CYS  44          1HB       CYS  44   2.526  -3.266  -2.427
  145    HG   CYS  44           HG       CYS  44   2.335   0.110  -2.958
  146    H    ILE  45           H        ILE  45   3.065  -4.029  -4.303
  147    HA   ILE  45           HA       ILE  45   4.343  -2.689  -6.321
  148    HB   ILE  45           HB       ILE  45   4.178  -5.690  -6.022
  149   1HG1  ILE  45          2HG1      ILE  45   6.199  -3.755  -4.869
  150   2HG1  ILE  45          1HG1      ILE  45   4.855  -4.437  -3.960
  151   1HG2  ILE  45          1HG2      ILE  45   6.216  -3.936  -7.382
  152   2HG2  ILE  45          3HG2      ILE  45   6.397  -5.667  -7.104
  153   3HG2  ILE  45          2HG2      ILE  45   5.114  -5.073  -8.159
  154   1HD1  ILE  45          1HD1      ILE  45   5.762  -6.681  -4.328
  155   2HD1  ILE  45          3HD1      ILE  45   7.121  -5.976  -5.203
  156   3HD1  ILE  45          2HD1      ILE  45   6.902  -5.629  -3.488
  157    H    SER  46           H        SER  46   2.053  -5.385  -6.800
  158    HA   SER  46           HA       SER  46   2.064  -5.368  -9.583
  159   1HB   SER  46          2HB       SER  46  -0.175  -6.169  -7.715
  160   2HB   SER  46          1HB       SER  46  -0.072  -6.595  -9.423
  161    HG   SER  46           HG       SER  46   1.645  -7.887  -9.008
  162    H    THR  47           H        THR  47   0.774  -2.990  -7.519
  163    HA   THR  47           HA       THR  47  -0.787  -1.906  -9.773
  164    HB   THR  47           HB       THR  47  -2.419  -0.970  -8.241
  165    HG1  THR  47           HG1      THR  47  -2.287  -1.578  -5.994
  166   1HG2  THR  47          3HG2      THR  47  -1.965  -3.910  -7.717
  167   2HG2  THR  47          2HG2      THR  47  -3.471  -3.036  -7.431
  168   3HG2  THR  47          1HG2      THR  47  -2.856  -3.222  -9.074
  169    H    LEU  48           H        LEU  48   1.884  -1.398  -7.902
  170    HA   LEU  48           HA       LEU  48   1.502   1.489  -7.679
  171   1HB   LEU  48          2HB       LEU  48   2.606  -0.143  -5.920
  172   2HB   LEU  48          1HB       LEU  48   4.042   0.158  -6.881
  173    HG   LEU  48           HG       LEU  48   3.595   2.637  -6.529
  174   1HD1  LEU  48          3HD1      LEU  48   1.192   1.998  -5.692
  175   2HD1  LEU  48          2HD1      LEU  48   2.010   1.842  -4.137
  176   3HD1  LEU  48          1HD1      LEU  48   2.053   3.375  -5.007
  177   1HD2  LEU  48          1HD2      LEU  48   5.336   1.332  -5.348
  178   2HD2  LEU  48          3HD2      LEU  48   4.684   2.657  -4.384
  179   3HD2  LEU  48          2HD2      LEU  48   4.172   0.999  -4.067
  180    H    GLU  49           H        GLU  49   4.296  -0.496  -8.707
  181    HA   GLU  49           HA       GLU  49   4.507   1.161 -11.105
  182   1HB   GLU  49          2HB       GLU  49   5.902   2.234  -9.374
  183   2HB   GLU  49          1HB       GLU  49   6.808   0.738  -9.193
  184   1HG   GLU  49          2HG       GLU  49   7.580   0.912 -11.494
  185   2HG   GLU  49          1HG       GLU  49   6.643   2.392 -11.704
  186    H    VAL  50           H        VAL  50   6.739  -1.128  -9.556
  187    HA   VAL  50           HA       VAL  50   7.002  -2.562 -12.068
  188    HB   VAL  50           HB       VAL  50   8.852  -3.711 -11.073
  189   1HG1  VAL  50          1HG1      VAL  50   9.265  -1.408 -11.801
  190   2HG1  VAL  50          3HG1      VAL  50   8.893  -0.831 -10.176
  191   3HG1  VAL  50          2HG1      VAL  50  10.301  -1.858 -10.447
  192   1HG2  VAL  50          1HG2      VAL  50   7.960  -2.506  -8.456
  193   2HG2  VAL  50          3HG2      VAL  50   7.935  -4.212  -8.897
  194   3HG2  VAL  50          2HG2      VAL  50   9.474  -3.375  -8.702
  195    H    GLU  51           H        GLU  51   7.541  -5.093 -11.389
  196    HA   GLU  51           HA       GLU  51   4.974  -6.094 -10.354
  197   1HB   GLU  51          2HB       GLU  51   5.501  -8.158 -11.631
  198   2HB   GLU  51          1HB       GLU  51   5.367  -6.735 -12.655
  199   1HG   GLU  51          2HG       GLU  51   7.735  -6.583 -12.880
  200   2HG   GLU  51          1HG       GLU  51   7.985  -7.834 -11.661
  201    H    GLU  52           H        GLU  52   5.530  -8.665  -9.747
  202    HA   GLU  52           HA       GLU  52   7.029  -8.391  -7.314
  203   1HB   GLU  52          2HB       GLU  52   5.773 -10.840  -8.567
  204   2HB   GLU  52          1HB       GLU  52   6.415 -10.749  -6.932
  205   1HG   GLU  52          2HG       GLU  52   4.742  -9.109  -6.333
  206   2HG   GLU  52          1HG       GLU  52   4.129  -9.099  -7.986
  207    H    THR  53           H        THR  53   9.038  -7.806  -8.448
  208    HA   THR  53           HA       THR  53  10.683 -10.189  -8.856
  209    HB   THR  53           HB       THR  53  11.840  -9.140 -10.782
  210    HG1  THR  53           HG1      THR  53  10.423  -7.416 -11.811
  211   1HG2  THR  53          3HG2      THR  53   8.872  -9.534 -11.177
  212   2HG2  THR  53          2HG2      THR  53  10.088  -9.557 -12.453
  213   3HG2  THR  53          1HG2      THR  53  10.101 -10.798 -11.200
  214    H    ASP  54           H        ASP  54  10.594  -6.670  -8.615
  215    HA   ASP  54           HA       ASP  54  13.265  -6.282  -7.834
  216   1HB   ASP  54          2HB       ASP  54  11.926  -4.469  -8.715
  217   2HB   ASP  54          1HB       ASP  54  10.786  -4.608  -7.382
  218    HA   PRO  55           HA       PRO  55  13.439  -7.650  -3.623
  219   1HB   PRO  55          2HB       PRO  55  15.029  -5.196  -3.105
  220   2HB   PRO  55          1HB       PRO  55  15.437  -6.889  -2.806
  221   1HG   PRO  55          2HG       PRO  55  16.552  -5.566  -4.826
  222   2HG   PRO  55          1HG       PRO  55  16.065  -7.263  -5.009
  223   1HD   PRO  55          2HD       PRO  55  14.706  -4.783  -5.987
  224   2HD   PRO  55          1HD       PRO  55  14.902  -6.353  -6.792
  225    H    LEU  56           H        LEU  56  11.815  -4.908  -4.576
  226    HA   LEU  56           HA       LEU  56  11.317  -3.315  -2.442
  227   1HB   LEU  56          2HB       LEU  56  10.067  -3.827  -4.867
  228   2HB   LEU  56          1HB       LEU  56   8.813  -4.135  -3.683
  229    HG   LEU  56           HG       LEU  56  10.328  -1.559  -4.102
  230   1HD1  LEU  56          1HD1      LEU  56   8.492  -2.052  -5.675
  231   2HD1  LEU  56          3HD1      LEU  56   7.389  -2.196  -4.305
  232   3HD1  LEU  56          2HD1      LEU  56   8.163  -0.651  -4.655
  233   1HD2  LEU  56          2HD2      LEU  56   8.318  -2.247  -1.961
  234   2HD2  LEU  56          1HD2      LEU  56  10.031  -1.906  -1.715
  235   3HD2  LEU  56          3HD2      LEU  56   8.953  -0.636  -2.295
  236    H    CYS  57           H        CYS  57  10.141  -6.597  -2.899
  237    HA   CYS  57           HA       CYS  57   8.275  -6.632  -0.787
  238   1HB   CYS  57          2HB       CYS  57   8.448  -9.096  -0.955
  239   2HB   CYS  57          1HB       CYS  57   8.228  -8.327  -2.524
  240    HG   CYS  57           HG       CYS  57   9.998 -10.533  -2.710
  241    H    GLN  58           H        GLN  58  11.699  -7.546  -0.936
  242    HA   GLN  58           HA       GLN  58  11.972  -8.575   1.635
  243   1HB   GLN  58          2HB       GLN  58  13.700  -8.763  -0.104
  244   2HB   GLN  58          1HB       GLN  58  14.017  -7.038   0.023
  245   1HG   GLN  58          2HG       GLN  58  14.758  -7.327   2.322
  246   2HG   GLN  58          1HG       GLN  58  14.412  -9.053   2.225
  247   1HE2  GLN  58          1HE2      GLN  58  15.756 -10.384   1.019
  248   2HE2  GLN  58          2HE2      GLN  58  17.327  -9.882   0.502
  249    H    ARG  59           H        ARG  59  12.387  -5.225   0.508
  250    HA   ARG  59           HA       ARG  59  13.149  -4.140   2.984
  251   1HB   ARG  59          2HB       ARG  59  12.032  -3.019   0.452
  252   2HB   ARG  59          1HB       ARG  59  12.068  -1.993   1.879
  253   1HG   ARG  59          2HG       ARG  59  14.032  -1.602   0.549
  254   2HG   ARG  59          1HG       ARG  59  14.492  -2.374   2.066
  255   1HD   ARG  59          2HD       ARG  59  14.612  -4.538   0.912
  256   2HD   ARG  59          1HD       ARG  59  14.177  -3.748  -0.602
  257    HE   ARG  59           HE       ARG  59  16.416  -2.438   0.385
  258   1HH1  ARG  59          1HH1      ARG  59  15.568  -5.626  -0.740
  259   2HH1  ARG  59          2HH1      ARG  59  17.162  -5.987  -1.313
  260   1HH2  ARG  59          1HH2      ARG  59  18.517  -2.908  -0.365
  261   2HH2  ARG  59          2HH2      ARG  59  18.839  -4.445  -1.097
  262    H    LEU  60           H        LEU  60   9.976  -4.700   1.559
  263    HA   LEU  60           HA       LEU  60   8.542  -3.309   3.606
  264   1HB   LEU  60          2HB       LEU  60   7.620  -5.328   1.562
  265   2HB   LEU  60          1HB       LEU  60   6.550  -4.418   2.612
  266    HG   LEU  60           HG       LEU  60   8.416  -3.137   0.616
  267   1HD1  LEU  60          1HD1      LEU  60   6.775  -4.519  -0.542
  268   2HD1  LEU  60          3HD1      LEU  60   5.474  -3.744   0.361
  269   3HD1  LEU  60          2HD1      LEU  60   6.440  -2.803  -0.778
  270   1HD2  LEU  60          1HD2      LEU  60   7.765  -1.711   2.492
  271   2HD2  LEU  60          3HD2      LEU  60   7.031  -1.164   0.985
  272   3HD2  LEU  60          2HD2      LEU  60   6.066  -2.052   2.164
  273    H    ARG  61           H        ARG  61   9.600  -6.613   3.110
  274    HA   ARG  61           HA       ARG  61   7.977  -7.766   5.147
  275   1HB   ARG  61          2HB       ARG  61  10.462  -8.716   3.729
  276   2HB   ARG  61          1HB       ARG  61   9.661  -9.670   4.971
  277   1HG   ARG  61          2HG       ARG  61   7.621  -9.710   3.641
  278   2HG   ARG  61          1HG       ARG  61   8.405  -8.733   2.400
  279   1HD   ARG  61          2HD       ARG  61   8.451 -11.041   1.727
  280   2HD   ARG  61          1HD       ARG  61  10.091 -10.523   2.116
  281    HE   ARG  61           HE       ARG  61   8.844 -11.702   4.372
  282   1HH1  ARG  61          1HH1      ARG  61  10.321 -12.489   1.315
  283   2HH1  ARG  61          2HH1      ARG  61  10.810 -14.073   1.814
  284   1HH2  ARG  61          1HH2      ARG  61   9.484 -13.786   5.036
  285   2HH2  ARG  61          2HH2      ARG  61  10.334 -14.811   3.929
  286    H    GLU  62           H        GLU  62  11.201  -6.362   5.075
  287    HA   GLU  62           HA       GLU  62  12.159  -7.219   7.540
  288   1HB   GLU  62          2HB       GLU  62  13.338  -5.832   5.716
  289   2HB   GLU  62          1HB       GLU  62  12.616  -4.430   6.492
  290   1HG   GLU  62          2HG       GLU  62  14.363  -6.403   7.935
  291   2HG   GLU  62          1HG       GLU  62  14.976  -4.949   7.153
  292    H    ASN  63           H        ASN  63  10.008  -4.559   6.725
  293    HA   ASN  63           HA       ASN  63   9.530  -4.116   9.595
  294   1HB   ASN  63          2HB       ASN  63   9.093  -2.250   7.251
  295   2HB   ASN  63          1HB       ASN  63   8.640  -1.889   8.916
  296   1HD2  ASN  63          1HD2      ASN  63  11.255  -2.279   6.668
  297   2HD2  ASN  63          2HD2      ASN  63  12.486  -1.588   7.663
  298    H    ASP  64           H        ASP  64   7.970  -5.670   9.920
  299    HA   ASP  64           HA       ASP  64   5.861  -6.366   8.293
  300   1HB   ASP  64          2HB       ASP  64   5.765  -6.184  11.312
  301   2HB   ASP  64          1HB       ASP  64   4.739  -7.187  10.291
  302    H    ILE  65           H        ILE  65   4.707  -4.821   7.253
  303    HA   ILE  65           HA       ILE  65   3.547  -2.630   8.818
  304    HB   ILE  65           HB       ILE  65   3.683  -3.020   5.823
  305   1HG1  ILE  65          2HG1      ILE  65   5.853  -2.465   6.770
  306   2HG1  ILE  65          1HG1      ILE  65   5.220  -1.083   5.890
  307   1HG2  ILE  65          3HG2      ILE  65   2.537  -0.762   7.451
  308   2HG2  ILE  65          2HG2      ILE  65   2.868  -0.669   5.722
  309   3HG2  ILE  65          1HG2      ILE  65   1.680  -1.821   6.331
  310   1HD1  ILE  65          2HD1      ILE  65   5.171  -1.437   8.878
  311   2HD1  ILE  65          1HD1      ILE  65   6.279  -0.410   7.969
  312   3HD1  ILE  65          3HD1      ILE  65   4.553  -0.045   7.989
  313    H    VAL  66           H        VAL  66   1.381  -2.311   9.019
  314    HA   VAL  66           HA       VAL  66  -0.375  -4.433   7.973
  315    HB   VAL  66           HB       VAL  66  -0.098  -4.493  10.437
  316   1HG1  VAL  66          2HG1      VAL  66   0.261  -2.124  10.836
  317   2HG1  VAL  66          1HG1      VAL  66  -1.400  -1.777  10.357
  318   3HG1  VAL  66          3HG1      VAL  66  -1.082  -2.724  11.810
  319   1HG2  VAL  66          3HG2      VAL  66  -2.171  -5.282   9.353
  320   2HG2  VAL  66          2HG2      VAL  66  -2.437  -4.679  10.988
  321   3HG2  VAL  66          1HG2      VAL  66  -2.878  -3.685   9.600
  322    H    GLY  67           H        GLY  67  -2.685  -3.715   7.724
  323   1HA   GLY  67          1HA       GLY  67  -4.247  -2.329   6.776
  324   2HA   GLY  67          2HA       GLY  67  -2.890  -1.591   5.942
  325    H    ASP  68           H        ASP  68  -3.620  -1.633   9.417
  326    HA   ASP  68           HA       ASP  68  -4.521   1.094   9.422
  327   1HB   ASP  68          2HB       ASP  68  -4.627   0.828  11.863
  328   2HB   ASP  68          1HB       ASP  68  -5.409  -0.516  11.037
  329    H    LEU  69           H        LEU  69  -1.555  -0.017   8.889
  330    HA   LEU  69           HA       LEU  69  -0.238   2.087  10.475
  331   1HB   LEU  69          2HB       LEU  69   0.533  -0.166  11.025
  332   2HB   LEU  69          1HB       LEU  69   0.922  -0.459   9.342
  333    HG   LEU  69           HG       LEU  69   2.646   1.303   9.448
  334   1HD1  LEU  69          3HD1      LEU  69   1.950   1.388  12.380
  335   2HD1  LEU  69          2HD1      LEU  69   3.323   2.196  11.624
  336   3HD1  LEU  69          1HD1      LEU  69   1.679   2.677  11.207
  337   1HD2  LEU  69          1HD2      LEU  69   3.212  -1.051   9.855
  338   2HD2  LEU  69          3HD2      LEU  69   4.248   0.046  10.768
  339   3HD2  LEU  69          2HD2      LEU  69   2.936  -0.809  11.580
  340    H    LEU  70           H        LEU  70  -1.022   1.005   7.332
  341    HA   LEU  70           HA       LEU  70   1.085   2.100   5.842
  342   1HB   LEU  70          2HB       LEU  70  -1.790   1.554   5.145
  343   2HB   LEU  70          1HB       LEU  70  -0.660   2.215   3.983
  344    HG   LEU  70           HG       LEU  70  -0.248  -0.414   5.405
  345   1HD1  LEU  70          3HD1      LEU  70  -2.263  -0.463   3.990
  346   2HD1  LEU  70          2HD1      LEU  70  -1.296   0.084   2.621
  347   3HD1  LEU  70          1HD1      LEU  70  -0.973  -1.485   3.357
  348   1HD2  LEU  70          3HD2      LEU  70   1.792   0.663   4.589
  349   2HD2  LEU  70          2HD2      LEU  70   1.417  -0.789   3.662
  350   3HD2  LEU  70          1HD2      LEU  70   1.078   0.802   2.983
  351    HA   PRO  71           HA       PRO  71  -1.458   6.165   5.549
  352   1HB   PRO  71          2HB       PRO  71  -3.406   6.216   7.691
  353   2HB   PRO  71          1HB       PRO  71  -3.677   6.316   5.951
  354   1HG   PRO  71          2HG       PRO  71  -4.443   4.184   7.465
  355   2HG   PRO  71          1HG       PRO  71  -4.026   4.061   5.746
  356   1HD   PRO  71          2HD       PRO  71  -2.356   3.423   8.154
  357   2HD   PRO  71          1HD       PRO  71  -2.534   2.518   6.638
  358    H    GLU  72           H        GLU  72  -0.696   4.768   8.645
  359    HA   GLU  72           HA       GLU  72  -0.396   7.220  10.067
  360   1HB   GLU  72          2HB       GLU  72   0.758   4.485  10.640
  361   2HB   GLU  72          1HB       GLU  72   0.769   5.844  11.757
  362   1HG   GLU  72          2HG       GLU  72  -1.724   5.843  11.658
  363   2HG   GLU  72          1HG       GLU  72  -1.627   4.356  10.717
  364    H    LEU  73           H        LEU  73   1.733   5.253   8.096
  365    HA   LEU  73           HA       LEU  73   4.147   6.549   8.893
  366   1HB   LEU  73          2HB       LEU  73   3.508   4.931   6.425
  367   2HB   LEU  73          1HB       LEU  73   5.116   5.454   6.889
  368    HG   LEU  73           HG       LEU  73   3.370   3.583   8.494
  369   1HD1  LEU  73          3HD1      LEU  73   5.793   3.034   6.787
  370   2HD1  LEU  73          2HD1      LEU  73   4.969   1.862   7.816
  371   3HD1  LEU  73          1HD1      LEU  73   4.134   2.556   6.427
  372   1HD2  LEU  73          1HD2      LEU  73   6.226   4.470   8.884
  373   2HD2  LEU  73          3HD2      LEU  73   4.853   4.880   9.910
  374   3HD2  LEU  73          2HD2      LEU  73   5.410   3.209   9.810
  375    H    CYS  74           H        CYS  74   5.412   8.027   7.705
  376    HA   CYS  74           HA       CYS  74   3.821   9.817   6.010
  377   1HB   CYS  74          2HB       CYS  74   5.601  11.489   6.501
  378   2HB   CYS  74          1HB       CYS  74   4.784  10.902   7.945
  379    HG   CYS  74           HG       CYS  74   6.921  10.238   9.181
  380    H    LEU  75           H        LEU  75   5.570  11.147   4.541
  381    HA   LEU  75           HA       LEU  75   6.266   9.325   2.491
  382   1HB   LEU  75          2HB       LEU  75   6.808  12.247   2.928
  383   2HB   LEU  75          1HB       LEU  75   7.488  11.395   1.555
  384    HG   LEU  75           HG       LEU  75   5.471  12.585   0.910
  385   1HD1  LEU  75          3HD1      LEU  75   5.990  10.476  -0.212
  386   2HD1  LEU  75          2HD1      LEU  75   5.024   9.606   0.979
  387   3HD1  LEU  75          1HD1      LEU  75   4.251  10.752  -0.117
  388   1HD2  LEU  75          1HD2      LEU  75   4.352  12.607   3.085
  389   2HD2  LEU  75          3HD2      LEU  75   3.290  11.992   1.817
  390   3HD2  LEU  75          2HD2      LEU  75   4.052  10.874   2.949
  391    H    GLN  76           H        GLN  76   7.860  10.142   5.335
  392    HA   GLN  76           HA       GLN  76  10.551   9.870   4.329
  393   1HB   GLN  76          2HB       GLN  76  10.048  11.306   6.274
  394   2HB   GLN  76          1HB       GLN  76   9.538   9.887   7.178
  395   1HG   GLN  76          2HG       GLN  76  11.774  10.550   7.812
  396   2HG   GLN  76          1HG       GLN  76  11.794   8.973   7.026
  397   1HE2  GLN  76          1HE2      GLN  76  13.945   9.135   6.451
  398   2HE2  GLN  76          2HE2      GLN  76  14.501  10.204   5.212
  399    H    ASP  77           H        ASP  77   8.537   7.967   6.580
  400    HA   ASP  77           HA       ASP  77  10.276   5.761   6.704
  401   1HB   ASP  77          2HB       ASP  77   7.284   5.844   7.153
  402   2HB   ASP  77          1HB       ASP  77   8.358   4.544   7.657
  403    H    CYS  78           H        CYS  78   7.788   6.653   4.430
  404    HA   CYS  78           HA       CYS  78   7.585   4.077   3.196
  405   1HB   CYS  78          2HB       CYS  78   6.745   6.822   2.238
  406   2HB   CYS  78          1HB       CYS  78   6.359   5.317   1.409
  407    HG   CYS  78           HG       CYS  78   4.428   4.507   2.982
  408    H    GLN  79           H        GLN  79   9.458   7.003   2.619
  409    HA   GLN  79           HA       GLN  79  10.473   6.309   0.088
  410   1HB   GLN  79          2HB       GLN  79  10.581   8.574   1.244
  411   2HB   GLN  79          1HB       GLN  79  11.943   7.940   2.156
  412   1HG   GLN  79          2HG       GLN  79  13.247   7.680   0.191
  413   2HG   GLN  79          1HG       GLN  79  11.859   8.004  -0.846
  414   1HE2  GLN  79          1HE2      GLN  79  14.420   9.344  -0.794
  415   2HE2  GLN  79          2HE2      GLN  79  14.098  11.008  -0.453
  416    H    ASP  80           H        ASP  80  11.566   5.600   3.363
  417    HA   ASP  80           HA       ASP  80  14.043   4.431   2.676
  418   1HB   ASP  80          2HB       ASP  80  13.456   5.132   4.976
  419   2HB   ASP  80          1HB       ASP  80  12.262   3.836   5.053
  420    H    LEU  81           H        LEU  81  10.773   3.223   2.830
  421    HA   LEU  81           HA       LEU  81  11.422   0.462   2.586
  422   1HB   LEU  81          2HB       LEU  81   9.009   2.133   2.629
  423   2HB   LEU  81          1HB       LEU  81   8.860   0.697   1.639
  424    HG   LEU  81           HG       LEU  81   9.115  -0.746   3.468
  425   1HD1  LEU  81          2HD1      LEU  81  10.210   1.610   4.995
  426   2HD1  LEU  81          1HD1      LEU  81   9.809   0.054   5.722
  427   3HD1  LEU  81          3HD1      LEU  81  11.077   0.157   4.501
  428   1HD2  LEU  81          3HD2      LEU  81   6.968   0.422   3.465
  429   2HD2  LEU  81          2HD2      LEU  81   7.481   0.013   5.103
  430   3HD2  LEU  81          1HD2      LEU  81   7.648   1.668   4.514
  431    H    CYS  82           H        CYS  82  11.418   3.054   0.406
  432    HA   CYS  82           HA       CYS  82  11.104   1.298  -1.921
  433   1HB   CYS  82          2HB       CYS  82  11.276   4.315  -1.759
  434   2HB   CYS  82          1HB       CYS  82  11.024   3.389  -3.234
  435    HG   CYS  82           HG       CYS  82   8.532   4.222  -2.846
  436    H    ASP  83           H        ASP  83  12.629   2.313  -3.815
  437    HA   ASP  83           HA       ASP  83  15.229   1.432  -3.174
  438   1HB   ASP  83          2HB       ASP  83  14.315   3.075  -5.545
  439   2HB   ASP  83          1HB       ASP  83  15.835   2.193  -5.430
  440    H    GLY  84           H        GLY  84  13.692   4.467  -2.809
  441   1HA   GLY  84          1HA       GLY  84  16.303   5.795  -2.441
  442   2HA   GLY  84          2HA       GLY  84  15.046   5.905  -1.218
  443    H    ASP  85           H        ASP  85  13.659   5.843  -4.256
  444    HA   ASP  85           HA       ASP  85  13.950   8.635  -4.891
  445   1HB   ASP  85          2HB       ASP  85  13.649   6.925  -6.654
  446   2HB   ASP  85          1HB       ASP  85  12.037   6.586  -6.034
  447    H    LEU  86           H        LEU  86  12.669  10.277  -4.328
  448    HA   LEU  86           HA       LEU  86  10.793   9.987  -2.239
  449   1HB   LEU  86          2HB       LEU  86  12.070  12.028  -2.544
  450   2HB   LEU  86          1HB       LEU  86  11.314  12.300  -4.103
  451    HG   LEU  86           HG       LEU  86   9.138  12.614  -2.983
  452   1HD1  LEU  86          1HD1      LEU  86   9.547  11.217  -1.020
  453   2HD1  LEU  86          3HD1      LEU  86  10.732  12.385  -0.434
  454   3HD1  LEU  86          2HD1      LEU  86   9.034  12.841  -0.563
  455   1HD2  LEU  86          3HD2      LEU  86  10.546  14.541  -3.476
  456   2HD2  LEU  86          2HD2      LEU  86   9.648  14.784  -1.977
  457   3HD2  LEU  86          1HD2      LEU  86  11.360  14.357  -1.922
  458    H    ASN  87           H        ASN  87  10.317  10.850  -5.670
  459    HA   ASN  87           HA       ASN  87   7.576  11.075  -5.706
  460   1HB   ASN  87          2HB       ASN  87   9.500  10.067  -7.793
  461   2HB   ASN  87          1HB       ASN  87   7.777  10.226  -8.120
  462   1HD2  ASN  87          1HD2      ASN  87   7.446  12.572  -6.468
  463   2HD2  ASN  87          2HD2      ASN  87   8.173  13.885  -7.321
  464    H    LYS  88           H        LYS  88   9.527   8.165  -5.702
  465    HA   LYS  88           HA       LYS  88   7.552   6.298  -6.378
  466   1HB   LYS  88          2HB       LYS  88  10.008   5.861  -6.246
  467   2HB   LYS  88          1HB       LYS  88   9.881   5.895  -4.495
  468   1HG   LYS  88          2HG       LYS  88   9.909   3.620  -5.176
  469   2HG   LYS  88          1HG       LYS  88   8.268   3.997  -4.651
  470   1HD   LYS  88          2HD       LYS  88   7.485   4.120  -6.886
  471   2HD   LYS  88          1HD       LYS  88   9.126   4.110  -7.533
  472   1HE   LYS  88          2HE       LYS  88   7.984   1.939  -7.796
  473   2HE   LYS  88          1HE       LYS  88   9.441   1.827  -6.811
  474   1HZ   LYS  88          2HZ       LYS  88   6.675   2.001  -5.747
  475   2HZ   LYS  88          1HZ       LYS  88   7.582   0.579  -5.868
  476   3HZ   LYS  88          3HZ       LYS  88   8.085   1.819  -4.831
  477    H    ALA  89           H        ALA  89   8.648   7.420  -3.182
  478    HA   ALA  89           HA       ALA  89   6.805   5.899  -1.686
  479   1HB   ALA  89          2HB       ALA  89   7.376   7.373   0.178
  480   2HB   ALA  89          3HB       ALA  89   8.184   8.474  -0.938
  481   3HB   ALA  89          1HB       ALA  89   8.817   6.846  -0.692
  482    H    ILE  90           H        ILE  90   6.539   8.936  -3.360
  483    HA   ILE  90           HA       ILE  90   4.286   9.974  -2.024
  484    HB   ILE  90           HB       ILE  90   5.178  10.386  -4.883
  485   1HG1  ILE  90          2HG1      ILE  90   5.565  12.068  -2.394
  486   2HG1  ILE  90          1HG1      ILE  90   6.810  11.102  -3.180
  487   1HG2  ILE  90          3HG2      ILE  90   3.157  11.920  -3.251
  488   2HG2  ILE  90          2HG2      ILE  90   3.762  12.398  -4.836
  489   3HG2  ILE  90          1HG2      ILE  90   2.821  10.917  -4.662
  490   1HD1  ILE  90          3HD1      ILE  90   6.553  12.511  -5.198
  491   2HD1  ILE  90          2HD1      ILE  90   5.422  13.522  -4.300
  492   3HD1  ILE  90          1HD1      ILE  90   7.101  13.399  -3.776
  493    H    LYS  91           H        LYS  91   4.457   8.243  -5.149
  494    HA   LYS  91           HA       LYS  91   1.713   7.960  -5.534
  495   1HB   LYS  91          2HB       LYS  91   3.989   6.174  -6.408
  496   2HB   LYS  91          1HB       LYS  91   2.333   5.990  -6.970
  497   1HG   LYS  91          2HG       LYS  91   4.037   8.443  -7.357
  498   2HG   LYS  91          1HG       LYS  91   3.742   7.197  -8.571
  499   1HD   LYS  91          2HD       LYS  91   1.606   8.888  -7.270
  500   2HD   LYS  91          1HD       LYS  91   2.305   9.192  -8.861
  501   1HE   LYS  91          2HE       LYS  91   0.804   6.707  -8.037
  502   2HE   LYS  91          1HE       LYS  91   0.158   8.020  -9.021
  503   1HZ   LYS  91          2HZ       LYS  91   1.857   7.537 -10.687
  504   2HZ   LYS  91          1HZ       LYS  91   2.434   6.255  -9.747
  505   3HZ   LYS  91          3HZ       LYS  91   0.874   6.190 -10.402
  506    H    PHE  92           H        PHE  92   3.951   6.109  -3.597
  507    HA   PHE  92           HA       PHE  92   2.394   3.842  -3.090
  508   1HB   PHE  92          2HB       PHE  92   4.767   3.998  -2.500
  509   2HB   PHE  92          1HB       PHE  92   4.405   5.238  -1.308
  510    HD1  PHE  92           HD1      PHE  92   3.372   1.745  -2.141
  511    HD2  PHE  92           HD2      PHE  92   4.304   4.597   0.878
  512    HE1  PHE  92           HE1      PHE  92   3.116   0.002  -0.419
  513    HE2  PHE  92           HE2      PHE  92   4.044   2.861   2.604
  514    HZ   PHE  92           HZ       PHE  92   3.453   0.560   1.956
  515    H    LYS  93           H        LYS  93   2.859   6.609  -0.892
  516    HA   LYS  93           HA       LYS  93   0.750   5.958   0.828
  517   1HB   LYS  93          2HB       LYS  93   2.562   7.509   1.416
  518   2HB   LYS  93          1HB       LYS  93   1.940   8.676   0.255
  519   1HG   LYS  93          2HG       LYS  93  -0.068   8.963   1.532
  520   2HG   LYS  93          1HG       LYS  93   0.394   7.661   2.629
  521   1HD   LYS  93          2HD       LYS  93   2.344   8.971   3.341
  522   2HD   LYS  93          1HD       LYS  93   1.850  10.277   2.261
  523   1HE   LYS  93          2HE       LYS  93   1.192  10.650   4.613
  524   2HE   LYS  93          1HE       LYS  93  -0.179  10.608   3.508
  525   1HZ   LYS  93          3HZ       LYS  93   0.720   8.370   5.243
  526   2HZ   LYS  93          2HZ       LYS  93  -0.626   9.354   5.521
  527   3HZ   LYS  93          1HZ       LYS  93  -0.596   8.322   4.181
  528    H    ILE  94           H        ILE  94   0.742   7.424  -2.288
  529    HA   ILE  94           HA       ILE  94  -1.699   8.855  -2.070
  530    HB   ILE  94           HB       ILE  94  -0.059   7.905  -4.391
  531   1HG1  ILE  94          2HG1      ILE  94  -1.008  10.643  -3.510
  532   2HG1  ILE  94          1HG1      ILE  94   0.572   9.956  -3.153
  533   1HG2  ILE  94          1HG2      ILE  94  -2.787   9.179  -4.591
  534   2HG2  ILE  94          3HG2      ILE  94  -1.671   8.937  -5.935
  535   3HG2  ILE  94          2HG2      ILE  94  -2.357   7.545  -5.095
  536   1HD1  ILE  94          3HD1      ILE  94   1.056   9.882  -5.560
  537   2HD1  ILE  94          2HD1      ILE  94  -0.508  10.634  -5.878
  538   3HD1  ILE  94          1HD1      ILE  94   0.730  11.515  -4.983
  539    H    LEU  95           H        LEU  95  -1.096   5.903  -4.000
  540    HA   LEU  95           HA       LEU  95  -3.739   5.254  -4.449
  541   1HB   LEU  95          2HB       LEU  95  -1.372   3.412  -4.118
  542   2HB   LEU  95          1HB       LEU  95  -2.935   2.897  -4.729
  543    HG   LEU  95           HG       LEU  95  -1.082   4.900  -6.029
  544   1HD1  LEU  95          2HD1      LEU  95  -0.336   2.585  -6.226
  545   2HD1  LEU  95          1HD1      LEU  95  -1.914   2.126  -6.864
  546   3HD1  LEU  95          3HD1      LEU  95  -0.877   3.219  -7.779
  547   1HD2  LEU  95          3HD2      LEU  95  -3.774   3.876  -6.929
  548   2HD2  LEU  95          2HD2      LEU  95  -3.409   5.517  -6.398
  549   3HD2  LEU  95          1HD2      LEU  95  -2.688   4.890  -7.881
  550    H    ILE  96           H        ILE  96  -1.801   4.742  -1.602
  551    HA   ILE  96           HA       ILE  96  -3.615   2.929  -0.356
  552    HB   ILE  96           HB       ILE  96  -1.428   4.624   0.850
  553   1HG1  ILE  96          2HG1      ILE  96  -1.385   1.667   0.261
  554   2HG1  ILE  96          1HG1      ILE  96  -0.839   2.866  -0.908
  555   1HG2  ILE  96          3HG2      ILE  96  -3.062   3.984   2.535
  556   2HG2  ILE  96          2HG2      ILE  96  -2.943   2.299   2.031
  557   3HG2  ILE  96          1HG2      ILE  96  -1.555   3.101   2.764
  558   1HD1  ILE  96          1HD1      ILE  96   0.815   3.659   0.737
  559   2HD1  ILE  96          3HD1      ILE  96   0.308   2.365   1.825
  560   3HD1  ILE  96          2HD1      ILE  96   1.043   1.974   0.270
  561    H    ASN  97           H        ASN  97  -3.054   6.412  -0.178
  562    HA   ASN  97           HA       ASN  97  -4.885   6.940   1.907
  563   1HB   ASN  97          2HB       ASN  97  -3.146   8.542   1.236
  564   2HB   ASN  97          1HB       ASN  97  -3.940   8.760  -0.321
  565   1HD2  ASN  97          1HD2      ASN  97  -4.095   9.388   3.095
  566   2HD2  ASN  97          2HD2      ASN  97  -5.309  10.614   3.019
  567    H    LYS  98           H        LYS  98  -5.225   6.665  -1.576
  568    HA   LYS  98           HA       LYS  98  -7.831   7.725  -1.793
  569   1HB   LYS  98          2HB       LYS  98  -6.091   5.998  -3.488
  570   2HB   LYS  98          1HB       LYS  98  -7.807   6.048  -3.863
  571   1HG   LYS  98          2HG       LYS  98  -6.633   7.653  -5.213
  572   2HG   LYS  98          1HG       LYS  98  -7.667   8.498  -4.060
  573   1HD   LYS  98          2HD       LYS  98  -5.741   8.910  -2.619
  574   2HD   LYS  98          1HD       LYS  98  -4.702   8.035  -3.746
  575   1HE   LYS  98          2HE       LYS  98  -6.246  10.552  -4.360
  576   2HE   LYS  98          1HE       LYS  98  -4.516  10.463  -4.030
  577   1HZ   LYS  98          1HZ       LYS  98  -4.254   9.074  -5.992
  578   2HZ   LYS  98          3HZ       LYS  98  -5.914   9.164  -6.307
  579   3HZ   LYS  98          2HZ       LYS  98  -4.959  10.556  -6.400
  580    H    MET  99           H        MET  99  -6.684   4.362  -1.548
  581    HA   MET  99           HA       MET  99  -9.207   3.147  -1.518
  582   1HB   MET  99          2HB       MET  99  -7.081   1.930  -1.856
  583   2HB   MET  99          1HB       MET  99  -6.673   2.198  -0.167
  584   1HG   MET  99          2HG       MET  99  -8.582   0.873   0.528
  585   2HG   MET  99          1HG       MET  99  -9.054   0.643  -1.155
  586   1HE   MET  99          1HE       MET  99  -9.159  -1.953  -0.817
  587   2HE   MET  99          3HE       MET  99  -7.834  -2.930  -0.186
  588   3HE   MET  99          2HE       MET  99  -8.678  -1.802   0.874
  589    H    ARG 100           H        ARG 100  -7.415   4.787   0.968
  590    HA   ARG 100           HA       ARG 100  -8.864   3.751   3.191
  591   1HB   ARG 100          2HB       ARG 100  -6.663   4.723   3.507
  592   2HB   ARG 100          1HB       ARG 100  -7.223   6.273   2.891
  593   1HG   ARG 100          2HG       ARG 100  -8.727   6.493   4.802
  594   2HG   ARG 100          1HG       ARG 100  -8.170   4.938   5.419
  595   1HD   ARG 100          2HD       ARG 100  -5.930   5.803   5.684
  596   2HD   ARG 100          1HD       ARG 100  -6.400   7.334   4.946
  597    HE   ARG 100           HE       ARG 100  -7.994   6.736   7.227
  598   1HH1  ARG 100          1HH1      ARG 100  -4.870   7.931   6.251
  599   2HH1  ARG 100          2HH1      ARG 100  -4.640   8.874   7.684
  600   1HH2  ARG 100          1HH2      ARG 100  -7.699   7.976   9.118
  601   2HH2  ARG 100          2HH2      ARG 100  -6.246   8.898   9.315
  602    H    ASP 101           H        ASP 101  -9.024   6.873   1.471
  603    HA   ASP 101           HA       ASP 101 -11.239   7.868   2.899
  604   1HB   ASP 101          2HB       ASP 101 -10.134   8.555   0.174
  605   2HB   ASP 101          1HB       ASP 101 -11.473   9.428   0.914
  606    H    SER 102           H        SER 102 -10.984   5.647   0.263
  607    HA   SER 102           HA       SER 102 -13.541   5.913  -0.861
  608   1HB   SER 102          2HB       SER 102 -11.747   3.482  -0.669
  609   2HB   SER 102          1HB       SER 102 -13.183   3.588  -1.689
  610    HG   SER 102           HG       SER 102 -12.178   4.972  -2.996
  611    H    LYS 103           H        LYS 103 -15.513   5.205  -0.287
  612    HA   LYS 103           HA       LYS 103 -15.918   3.069   1.577
  613   1HB   LYS 103          2HB       LYS 103 -15.328   4.954   3.095
  614   2HB   LYS 103          1HB       LYS 103 -16.701   5.851   2.463
  615   1HG   LYS 103          2HG       LYS 103 -18.219   4.135   3.306
  616   2HG   LYS 103          1HG       LYS 103 -16.843   3.226   3.932
  617   1HD   LYS 103          2HD       LYS 103 -17.586   6.030   4.765
  618   2HD   LYS 103          1HD       LYS 103 -17.991   4.569   5.667
  619   1HE   LYS 103          2HE       LYS 103 -15.622   4.068   5.943
  620   2HE   LYS 103          1HE       LYS 103 -15.198   5.498   5.002
  621   1HZ   LYS 103          3HZ       LYS 103 -16.648   5.508   7.595
  622   2HZ   LYS 103          2HZ       LYS 103 -15.019   5.904   7.379
  623   3HZ   LYS 103          1HZ       LYS 103 -16.222   6.877   6.698
  624    H    LEU 104           H        LEU 104 -17.199   2.233  -0.074
  625    HA   LEU 104           HA       LEU 104 -19.656   3.734  -0.685
  626   1HB   LEU 104          2HB       LEU 104 -18.117   1.669  -2.226
  627   2HB   LEU 104          1HB       LEU 104 -19.806   1.969  -2.575
  628    HG   LEU 104           HG       LEU 104 -18.417   3.189  -4.130
  629   1HD1  LEU 104          3HD1      LEU 104 -20.527   4.216  -3.383
  630   2HD1  LEU 104          2HD1      LEU 104 -19.636   5.095  -2.140
  631   3HD1  LEU 104          1HD1      LEU 104 -19.314   5.412  -3.844
  632   1HD2  LEU 104          3HD2      LEU 104 -16.413   3.360  -2.714
  633   2HD2  LEU 104          2HD2      LEU 104 -16.865   4.909  -3.427
  634   3HD2  LEU 104          1HD2      LEU 104 -17.227   4.578  -1.733
  635    H    GLU 105           H        GLU 105 -18.662   0.307  -0.495
  636    HA   GLU 105           HA       GLU 105 -21.114  -0.204   1.050
  637   1HB   GLU 105          2HB       GLU 105 -19.891  -2.080  -0.979
  638   2HB   GLU 105          1HB       GLU 105 -21.384  -2.329  -0.084
  639   1HG   GLU 105          2HG       GLU 105 -22.420  -0.470  -1.239
  640   2HG   GLU 105          1HG       GLU 105 -20.915  -0.139  -2.094
  641    H    TRP 106           H        TRP 106 -18.428   0.323   1.988
  642    HA   TRP 106           HA       TRP 106 -18.078  -2.122   3.547
  643   1HB   TRP 106          2HB       TRP 106 -15.537  -1.752   3.346
  644   2HB   TRP 106          1HB       TRP 106 -16.374  -2.502   1.992
  645    HD1  TRP 106           HD1      TRP 106 -14.574   0.723   2.985
  646    HE1  TRP 106           HE1      TRP 106 -14.048   2.058   0.847
  647    HE3  TRP 106           HE3      TRP 106 -17.174  -2.096  -0.396
  648    HZ2  TRP 106           HZ2      TRP 106 -14.654   1.932  -1.906
  649    HZ3  TRP 106           HZ3      TRP 106 -17.149  -1.422  -2.762
  650    HH2  TRP 106           HH2      TRP 106 -15.914   0.550  -3.501
  651    H    LYS 107           H        LYS 107 -19.336  -0.422   4.861
  652    HA   LYS 107           HA       LYS 107 -17.467   1.379   6.239
  653   1HB   LYS 107          2HB       LYS 107 -19.576   2.405   7.186
  654   2HB   LYS 107          1HB       LYS 107 -19.335   2.610   5.457
  655   1HG   LYS 107          2HG       LYS 107 -20.943   0.895   4.973
  656   2HG   LYS 107          1HG       LYS 107 -21.094   0.497   6.685
  657   1HD   LYS 107          2HD       LYS 107 -21.975   2.751   7.116
  658   2HD   LYS 107          1HD       LYS 107 -21.849   3.119   5.394
  659   1HE   LYS 107          2HE       LYS 107 -23.534   0.922   6.592
  660   2HE   LYS 107          1HE       LYS 107 -24.136   2.493   6.067
  661   1HZ   LYS 107          1HZ       LYS 107 -23.417   1.976   3.818
  662   2HZ   LYS 107          3HZ       LYS 107 -22.842   0.467   4.324
  663   3HZ   LYS 107          2HZ       LYS 107 -24.498   0.805   4.384
  664    H    ASP 108           H        ASP 108 -16.482  -0.038   7.641
  665    HA   ASP 108           HA       ASP 108 -18.230  -1.177   9.720
  666   1HB   ASP 108          2HB       ASP 108 -15.675  -2.380   8.632
  667   2HB   ASP 108          1HB       ASP 108 -16.628  -3.035   9.961

  No H/Q in entry =         667
  Start of MODEL   11
    1    H1   GLY  24          1H        GLY  24 -12.147 -19.236  -2.717
    2    H2   GLY  24          3H        GLY  24 -11.555 -18.087  -3.809
    3    H3   GLY  24          2H        GLY  24 -11.113 -19.712  -3.969
    4   1HA   GLY  24          2HA       GLY  24  -9.301 -18.445  -3.015
    5   2HA   GLY  24          1HA       GLY  24  -9.915 -19.638  -1.881
    6    H    SER  25           H        SER  25  -9.988 -16.219  -2.746
    7    HA   SER  25           HA       SER  25 -11.187 -15.519  -0.190
    8   1HB   SER  25          2HB       SER  25  -8.404 -14.612  -0.965
    9   2HB   SER  25          1HB       SER  25  -9.321 -14.013   0.417
   10    HG   SER  25           HG       SER  25  -8.680 -15.690   1.487
   11    H    HIS  26           H        HIS  26 -10.578 -14.941  -3.444
   12    HA   HIS  26           HA       HIS  26 -11.237 -13.346  -4.924
   13   1HB   HIS  26          2HB       HIS  26 -13.088 -12.585  -2.654
   14   2HB   HIS  26          1HB       HIS  26 -13.212 -11.963  -4.297
   15    HD1  HIS  26           HD1      HIS  26 -14.353 -13.428  -6.018
   16    HD2  HIS  26           HD2      HIS  26 -13.758 -15.350  -2.382
   17    HE1  HIS  26           HE1      HIS  26 -15.665 -15.567  -6.167
   18    HE2  HIS  26           HE2      HIS  26 -15.355 -16.676  -3.925
   19    H    MET  27           H        MET  27 -11.788 -10.760  -4.922
   20    HA   MET  27           HA       MET  27  -9.492  -9.546  -3.537
   21   1HB   MET  27          2HB       MET  27  -9.645  -7.806  -5.370
   22   2HB   MET  27          1HB       MET  27  -9.137  -9.411  -5.877
   23   1HG   MET  27          2HG       MET  27 -11.405  -9.876  -6.665
   24   2HG   MET  27          1HG       MET  27 -11.903  -8.261  -6.168
   25   1HE   MET  27          3HE       MET  27  -9.713 -10.376  -8.623
   26   2HE   MET  27          2HE       MET  27  -8.887  -9.125  -9.554
   27   3HE   MET  27          1HE       MET  27  -8.497  -9.359  -7.850
   28    H    ASN  28           H        ASN  28 -11.119  -9.459  -1.717
   29    HA   ASN  28           HA       ASN  28 -12.418  -6.839  -1.779
   30   1HB   ASN  28          2HB       ASN  28 -13.774  -9.358  -0.791
   31   2HB   ASN  28          1HB       ASN  28 -14.424  -7.728  -0.662
   32   1HD2  ASN  28          1HD2      ASN  28 -15.149  -6.678  -2.519
   33   2HD2  ASN  28          2HD2      ASN  28 -15.515  -7.541  -3.971
   34    H    ASN  29           H        ASN  29 -11.283  -5.780  -0.277
   35    HA   ASN  29           HA       ASN  29 -11.358  -6.699   2.454
   36   1HB   ASN  29          2HB       ASN  29  -9.333  -7.825   1.456
   37   2HB   ASN  29          1HB       ASN  29  -8.651  -6.223   1.197
   38   1HD2  ASN  29          1HD2      ASN  29  -7.651  -8.392   2.832
   39   2HD2  ASN  29          2HD2      ASN  29  -7.538  -7.778   4.444
   40    H    GLU  30           H        GLU  30 -12.113  -4.915   3.392
   41    HA   GLU  30           HA       GLU  30 -11.075  -2.305   2.530
   42   1HB   GLU  30          2HB       GLU  30 -13.576  -3.034   4.060
   43   2HB   GLU  30          1HB       GLU  30 -13.056  -1.383   3.757
   44   1HG   GLU  30          2HG       GLU  30 -14.702  -1.888   2.146
   45   2HG   GLU  30          1HG       GLU  30 -13.152  -1.904   1.307
   46    H    ASP  31           H        ASP  31 -11.884  -4.135   5.473
   47    HA   ASP  31           HA       ASP  31 -10.776  -2.285   7.288
   48   1HB   ASP  31          2HB       ASP  31 -10.809  -4.186   8.899
   49   2HB   ASP  31          1HB       ASP  31 -12.340  -3.961   8.057
   50    H    PHE  32           H        PHE  32  -8.737  -1.810   7.748
   51    HA   PHE  32           HA       PHE  32  -6.573  -3.085   6.412
   52   1HB   PHE  32          2HB       PHE  32  -6.539  -1.091   8.686
   53   2HB   PHE  32          1HB       PHE  32  -5.151  -1.539   7.701
   54    HD1  PHE  32           HD1      PHE  32  -4.830  -0.621   5.531
   55    HD2  PHE  32           HD2      PHE  32  -8.398   0.185   7.705
   56    HE1  PHE  32           HE1      PHE  32  -5.402   1.156   3.927
   57    HE2  PHE  32           HE2      PHE  32  -8.978   1.960   6.103
   58    HZ   PHE  32           HZ       PHE  32  -7.478   2.449   4.211
   59    H    SER  33           H        SER  33  -8.230  -3.788   9.279
   60    HA   SER  33           HA       SER  33  -6.148  -4.829  10.871
   61   1HB   SER  33          2HB       SER  33  -9.083  -5.568  10.816
   62   2HB   SER  33          1HB       SER  33  -7.949  -5.996  12.099
   63    HG   SER  33           HG       SER  33  -9.100  -4.124  12.646
   64    H    GLN  34           H        GLN  34  -7.525  -5.978   7.988
   65    HA   GLN  34           HA       GLN  34  -6.719  -8.744   8.548
   66   1HB   GLN  34          2HB       GLN  34  -8.987  -8.394   7.652
   67   2HB   GLN  34          1HB       GLN  34  -8.301  -7.630   6.226
   68   1HG   GLN  34          2HG       GLN  34  -7.189  -9.718   5.633
   69   2HG   GLN  34          1HG       GLN  34  -7.862 -10.486   7.071
   70   1HE2  GLN  34          1HE2      GLN  34  -8.192 -11.156   4.245
   71   2HE2  GLN  34          2HE2      GLN  34  -9.892 -11.119   3.943
   72    H    TRP  35           H        TRP  35  -5.883  -5.956   6.654
   73    HA   TRP  35           HA       TRP  35  -4.387  -7.146   4.618
   74   1HB   TRP  35          2HB       TRP  35  -4.197  -4.465   5.971
   75   2HB   TRP  35          1HB       TRP  35  -3.086  -4.925   4.686
   76    HD1  TRP  35           HD1      TRP  35  -6.944  -4.796   5.160
   77    HE1  TRP  35           HE1      TRP  35  -7.980  -3.987   2.948
   78    HE3  TRP  35           HE3      TRP  35  -2.679  -4.375   2.378
   79    HZ2  TRP  35           HZ2      TRP  35  -7.103  -3.265   0.365
   80    HZ3  TRP  35           HZ3      TRP  35  -2.864  -3.618   0.044
   81    HH2  TRP  35           HH2      TRP  35  -5.032  -3.075  -0.941
   82    H    SER  36           H        SER  36  -2.757  -8.509   4.817
   83    HA   SER  36           HA       SER  36  -0.941  -8.260   7.111
   84   1HB   SER  36          2HB       SER  36  -1.359 -10.572   5.200
   85   2HB   SER  36          1HB       SER  36  -0.259 -10.573   6.578
   86    HG   SER  36           HG       SER  36  -2.964 -10.931   6.504
   87    H    VAL  37           H        VAL  37   1.309  -9.445   6.272
   88    HA   VAL  37           HA       VAL  37   2.636  -7.432   4.843
   89    HB   VAL  37           HB       VAL  37   3.541 -10.290   5.232
   90   1HG1  VAL  37          3HG1      VAL  37   5.090  -7.770   4.640
   91   2HG1  VAL  37          2HG1      VAL  37   5.807  -9.331   5.039
   92   3HG1  VAL  37          1HG1      VAL  37   4.863  -9.146   3.561
   93   1HG2  VAL  37          2HG2      VAL  37   2.957  -9.255   7.358
   94   2HG2  VAL  37          1HG2      VAL  37   4.704  -9.455   7.220
   95   3HG2  VAL  37          3HG2      VAL  37   3.977  -7.867   6.977
   96    H    ASP  38           H        ASP  38   1.201 -10.467   3.799
   97    HA   ASP  38           HA       ASP  38   2.312 -10.390   1.165
   98   1HB   ASP  38          2HB       ASP  38   1.661 -12.513   2.150
   99   2HB   ASP  38          1HB       ASP  38  -0.007 -11.966   2.297
  100    H    ASP  39           H        ASP  39  -0.641  -9.227   2.651
  101    HA   ASP  39           HA       ASP  39  -2.027  -8.712   0.215
  102   1HB   ASP  39          2HB       ASP  39  -2.436  -7.590   2.993
  103   2HB   ASP  39          1HB       ASP  39  -3.547  -7.360   1.646
  104    H    VAL  40           H        VAL  40  -0.072  -6.715   2.391
  105    HA   VAL  40           HA       VAL  40  -0.500  -4.280   1.011
  106    HB   VAL  40           HB       VAL  40   1.798  -5.075   2.805
  107   1HG1  VAL  40          2HG1      VAL  40   0.873  -2.349   1.897
  108   2HG1  VAL  40          1HG1      VAL  40   2.116  -2.657   3.110
  109   3HG1  VAL  40          3HG1      VAL  40   2.375  -3.152   1.437
  110   1HG2  VAL  40          3HG2      VAL  40  -0.404  -5.250   3.878
  111   2HG2  VAL  40          2HG2      VAL  40   0.562  -3.942   4.566
  112   3HG2  VAL  40          1HG2      VAL  40  -0.743  -3.576   3.436
  113    H    ILE  41           H        ILE  41   2.212  -6.591   0.944
  114    HA   ILE  41           HA       ILE  41   3.786  -5.210  -0.916
  115    HB   ILE  41           HB       ILE  41   3.641  -8.175  -0.368
  116   1HG1  ILE  41          2HG1      ILE  41   5.616  -6.092   0.590
  117   2HG1  ILE  41          1HG1      ILE  41   4.270  -6.698   1.547
  118   1HG2  ILE  41          1HG2      ILE  41   5.705  -6.585  -1.887
  119   2HG2  ILE  41          3HG2      ILE  41   5.885  -8.270  -1.398
  120   3HG2  ILE  41          2HG2      ILE  41   4.626  -7.816  -2.545
  121   1HD1  ILE  41          2HD1      ILE  41   5.229  -8.946   1.456
  122   2HD1  ILE  41          1HD1      ILE  41   6.584  -8.322   0.515
  123   3HD1  ILE  41          3HD1      ILE  41   6.341  -7.781   2.176
  124    H    THR  42           H        THR  42   1.710  -8.054  -1.516
  125    HA   THR  42           HA       THR  42   1.971  -8.151  -4.263
  126    HB   THR  42           HB       THR  42  -0.492  -8.858  -2.657
  127    HG1  THR  42           HG1      THR  42   1.457 -10.684  -3.579
  128   1HG2  THR  42          3HG2      THR  42   0.389  -9.695  -5.423
  129   2HG2  THR  42          2HG2      THR  42  -0.947 -10.422  -4.529
  130   3HG2  THR  42          1HG2      THR  42  -1.029  -8.727  -5.013
  131    H    TRP  43           H        TRP  43  -0.794  -6.680  -2.529
  132    HA   TRP  43           HA       TRP  43  -2.102  -5.593  -4.689
  133   1HB   TRP  43          2HB       TRP  43  -3.070  -5.588  -2.459
  134   2HB   TRP  43          1HB       TRP  43  -1.855  -4.439  -1.905
  135    HD1  TRP  43           HD1      TRP  43  -4.928  -4.626  -4.225
  136    HE1  TRP  43           HE1      TRP  43  -5.867  -2.248  -4.512
  137    HE3  TRP  43           HE3      TRP  43  -1.309  -2.015  -1.728
  138    HZ2  TRP  43           HZ2      TRP  43  -5.166   0.385  -3.782
  139    HZ3  TRP  43           HZ3      TRP  43  -1.520   0.432  -1.566
  140    HH2  TRP  43           HH2      TRP  43  -3.411   1.606  -2.571
  141    H    CYS  44           H        CYS  44   0.380  -3.979  -2.708
  142    HA   CYS  44           HA       CYS  44   0.438  -1.534  -4.006
  143   1HB   CYS  44          2HB       CYS  44   1.635  -2.005  -1.911
  144   2HB   CYS  44          1HB       CYS  44   2.770  -3.027  -2.789
  145    HG   CYS  44           HG       CYS  44   2.569   0.347  -2.680
  146    H    ILE  45           H        ILE  45   2.879  -4.072  -4.517
  147    HA   ILE  45           HA       ILE  45   4.061  -3.042  -6.792
  148    HB   ILE  45           HB       ILE  45   3.680  -5.963  -6.121
  149   1HG1  ILE  45          2HG1      ILE  45   5.972  -4.130  -5.393
  150   2HG1  ILE  45          1HG1      ILE  45   4.669  -4.565  -4.291
  151   1HG2  ILE  45          1HG2      ILE  45   4.441  -5.618  -8.405
  152   2HG2  ILE  45          3HG2      ILE  45   5.757  -4.596  -7.827
  153   3HG2  ILE  45          2HG2      ILE  45   5.725  -6.312  -7.415
  154   1HD1  ILE  45          1HD1      ILE  45   6.620  -6.474  -5.556
  155   2HD1  ILE  45          3HD1      ILE  45   6.653  -5.901  -3.888
  156   3HD1  ILE  45          2HD1      ILE  45   5.316  -6.908  -4.448
  157    H    SER  46           H        SER  46   1.088  -4.854  -6.505
  158    HA   SER  46           HA       SER  46   0.833  -5.685  -9.182
  159   1HB   SER  46          2HB       SER  46  -0.486  -6.685  -7.395
  160   2HB   SER  46          1HB       SER  46  -1.311  -5.151  -7.118
  161    HG   SER  46           HG       SER  46  -2.491  -5.451  -8.862
  162    H    THR  47           H        THR  47   0.630  -2.547  -7.886
  163    HA   THR  47           HA       THR  47  -0.291  -1.537 -10.433
  164    HB   THR  47           HB       THR  47  -2.433  -1.930  -9.389
  165    HG1  THR  47           HG1      THR  47  -1.888   0.182 -10.502
  166   1HG2  THR  47          1HG2      THR  47  -1.342  -0.300  -7.099
  167   2HG2  THR  47          3HG2      THR  47  -3.041  -0.737  -7.286
  168   3HG2  THR  47          2HG2      THR  47  -1.824  -1.995  -7.065
  169    H    LEU  48           H        LEU  48   1.936  -1.285  -8.206
  170    HA   LEU  48           HA       LEU  48   1.817   1.587  -7.755
  171   1HB   LEU  48          2HB       LEU  48   2.596  -0.036  -6.004
  172   2HB   LEU  48          1HB       LEU  48   4.027  -0.303  -6.984
  173    HG   LEU  48           HG       LEU  48   4.243   2.317  -6.819
  174   1HD1  LEU  48          3HD1      LEU  48   2.074   2.556  -5.638
  175   2HD1  LEU  48          2HD1      LEU  48   2.768   1.679  -4.273
  176   3HD1  LEU  48          1HD1      LEU  48   3.444   3.233  -4.758
  177   1HD2  LEU  48          3HD2      LEU  48   4.933   0.418  -4.590
  178   2HD2  LEU  48          2HD2      LEU  48   5.903   0.761  -6.022
  179   3HD2  LEU  48          1HD2      LEU  48   5.634   2.021  -4.817
  180    H    GLU  49           H        GLU  49   4.507  -0.494  -8.869
  181    HA   GLU  49           HA       GLU  49   4.939   1.356 -11.087
  182   1HB   GLU  49          2HB       GLU  49   6.926   0.794  -8.904
  183   2HB   GLU  49          1HB       GLU  49   7.437   1.324 -10.500
  184   1HG   GLU  49          2HG       GLU  49   5.512   2.832  -8.748
  185   2HG   GLU  49          1HG       GLU  49   7.244   3.149  -8.837
  186    H    VAL  50           H        VAL  50   6.858  -1.252  -9.604
  187    HA   VAL  50           HA       VAL  50   7.037  -2.500 -12.260
  188    HB   VAL  50           HB       VAL  50   9.030  -3.639 -11.450
  189   1HG1  VAL  50          1HG1      VAL  50   9.288  -1.427 -12.439
  190   2HG1  VAL  50          3HG1      VAL  50   9.083  -0.683 -10.853
  191   3HG1  VAL  50          2HG1      VAL  50  10.491  -1.695 -11.176
  192   1HG2  VAL  50          2HG2      VAL  50   8.508  -2.201  -8.850
  193   2HG2  VAL  50          1HG2      VAL  50   8.412  -3.940  -9.124
  194   3HG2  VAL  50          3HG2      VAL  50   9.966  -3.115  -9.236
  195    H    GLU  51           H        GLU  51   7.895  -4.997 -11.549
  196    HA   GLU  51           HA       GLU  51   5.433  -6.209 -10.522
  197   1HB   GLU  51          2HB       GLU  51   6.336  -8.291 -11.557
  198   2HB   GLU  51          1HB       GLU  51   6.101  -6.984 -12.710
  199   1HG   GLU  51          2HG       GLU  51   8.442  -6.509 -12.752
  200   2HG   GLU  51          1HG       GLU  51   8.745  -7.644 -11.437
  201    H    GLU  52           H        GLU  52   6.241  -8.640  -9.648
  202    HA   GLU  52           HA       GLU  52   7.501  -7.970  -7.146
  203   1HB   GLU  52          2HB       GLU  52   6.613 -10.666  -8.189
  204   2HB   GLU  52          1HB       GLU  52   7.054 -10.295  -6.529
  205   1HG   GLU  52          2HG       GLU  52   5.164  -8.767  -6.357
  206   2HG   GLU  52          1HG       GLU  52   4.724  -9.123  -8.028
  207    H    THR  53           H        THR  53   9.523  -7.301  -8.212
  208    HA   THR  53           HA       THR  53  11.403  -9.541  -8.263
  209    HB   THR  53           HB       THR  53  12.585  -8.632 -10.219
  210    HG1  THR  53           HG1      THR  53  12.102  -6.655 -10.781
  211   1HG2  THR  53          2HG2      THR  53   9.667  -9.218 -10.736
  212   2HG2  THR  53          1HG2      THR  53  10.952  -9.285 -11.943
  213   3HG2  THR  53          3HG2      THR  53  10.960 -10.408 -10.582
  214    H    ASP  54           H        ASP  54  10.968  -6.040  -8.380
  215    HA   ASP  54           HA       ASP  54  13.509  -5.263  -7.527
  216   1HB   ASP  54          2HB       ASP  54  11.931  -3.698  -8.516
  217   2HB   ASP  54          1HB       ASP  54  10.824  -3.915  -7.165
  218    HA   PRO  55           HA       PRO  55  13.770  -6.415  -3.256
  219   1HB   PRO  55          2HB       PRO  55  14.964  -3.730  -2.804
  220   2HB   PRO  55          1HB       PRO  55  15.606  -5.330  -2.418
  221   1HG   PRO  55          2HG       PRO  55  16.578  -3.943  -4.469
  222   2HG   PRO  55          1HG       PRO  55  16.352  -5.699  -4.586
  223   1HD   PRO  55          2HD       PRO  55  14.680  -3.492  -5.714
  224   2HD   PRO  55          1HD       PRO  55  15.123  -5.053  -6.437
  225    H    LEU  56           H        LEU  56  11.806  -3.949  -4.352
  226    HA   LEU  56           HA       LEU  56  11.031  -2.496  -2.141
  227   1HB   LEU  56          2HB       LEU  56  10.196  -2.090  -4.408
  228   2HB   LEU  56          1HB       LEU  56   9.276  -3.581  -4.346
  229    HG   LEU  56           HG       LEU  56   8.054  -2.538  -2.343
  230   1HD1  LEU  56          1HD1      LEU  56   9.641  -0.714  -1.959
  231   2HD1  LEU  56          3HD1      LEU  56   9.245  -0.043  -3.541
  232   3HD1  LEU  56          2HD1      LEU  56   8.015  -0.110  -2.280
  233   1HD2  LEU  56          3HD2      LEU  56   7.034  -2.874  -4.531
  234   2HD2  LEU  56          2HD2      LEU  56   6.507  -1.352  -3.815
  235   3HD2  LEU  56          1HD2      LEU  56   7.720  -1.351  -5.094
  236    H    CYS  57           H        CYS  57  10.034  -5.745  -3.102
  237    HA   CYS  57           HA       CYS  57   8.101  -6.060  -1.033
  238   1HB   CYS  57          2HB       CYS  57   8.117  -8.436  -1.684
  239   2HB   CYS  57          1HB       CYS  57   7.982  -7.379  -3.085
  240    HG   CYS  57           HG       CYS  57  11.155  -8.035  -2.494
  241    H    GLN  58           H        GLN  58  11.531  -6.646  -1.314
  242    HA   GLN  58           HA       GLN  58  11.794  -8.322   0.961
  243   1HB   GLN  58          2HB       GLN  58  13.480  -8.108  -0.881
  244   2HB   GLN  58          1HB       GLN  58  13.896  -6.520  -0.250
  245   1HG   GLN  58          2HG       GLN  58  15.493  -8.150   0.511
  246   2HG   GLN  58          1HG       GLN  58  14.550  -7.555   1.877
  247   1HE2  GLN  58          1HE2      GLN  58  13.066  -8.920   2.873
  248   2HE2  GLN  58          2HE2      GLN  58  13.093 -10.632   2.642
  249    H    ARG  59           H        ARG  59  11.774  -4.853   0.483
  250    HA   ARG  59           HA       ARG  59  12.734  -4.199   3.094
  251   1HB   ARG  59          2HB       ARG  59  11.157  -2.496   1.157
  252   2HB   ARG  59          1HB       ARG  59  12.049  -1.913   2.552
  253   1HG   ARG  59          2HG       ARG  59  13.311  -3.339   0.226
  254   2HG   ARG  59          1HG       ARG  59  13.182  -1.585   0.359
  255   1HD   ARG  59          2HD       ARG  59  15.332  -2.122   1.132
  256   2HD   ARG  59          1HD       ARG  59  14.380  -1.808   2.579
  257    HE   ARG  59           HE       ARG  59  14.326  -4.562   1.977
  258   1HH1  ARG  59          1HH1      ARG  59  16.471  -2.093   3.179
  259   2HH1  ARG  59          2HH1      ARG  59  17.415  -3.195   4.125
  260   1HH2  ARG  59          1HH2      ARG  59  15.561  -6.017   3.218
  261   2HH2  ARG  59          2HH2      ARG  59  16.898  -5.425   4.149
  262    H    LEU  60           H        LEU  60   9.538  -4.413   1.589
  263    HA   LEU  60           HA       LEU  60   8.074  -3.559   3.855
  264   1HB   LEU  60          2HB       LEU  60   7.219  -5.295   1.535
  265   2HB   LEU  60          1HB       LEU  60   6.130  -4.558   2.696
  266    HG   LEU  60           HG       LEU  60   7.949  -2.989   0.868
  267   1HD1  LEU  60          2HD1      LEU  60   5.024  -3.659   0.575
  268   2HD1  LEU  60          1HD1      LEU  60   5.910  -2.501  -0.418
  269   3HD1  LEU  60          3HD1      LEU  60   6.339  -4.211  -0.463
  270   1HD2  LEU  60          2HD2      LEU  60   5.622  -2.170   2.602
  271   2HD2  LEU  60          1HD2      LEU  60   7.321  -1.800   2.892
  272   3HD2  LEU  60          3HD2      LEU  60   6.496  -1.114   1.493
  273    H    ARG  61           H        ARG  61   9.281  -6.676   2.797
  274    HA   ARG  61           HA       ARG  61   7.803  -8.170   4.767
  275   1HB   ARG  61          2HB       ARG  61   8.459  -9.164   2.603
  276   2HB   ARG  61          1HB       ARG  61  10.150  -9.009   3.055
  277   1HG   ARG  61          2HG       ARG  61   9.781 -10.542   4.932
  278   2HG   ARG  61          1HG       ARG  61   8.092 -10.712   4.448
  279   1HD   ARG  61          2HD       ARG  61   8.825 -11.597   2.275
  280   2HD   ARG  61          1HD       ARG  61  10.503 -11.465   2.798
  281    HE   ARG  61           HE       ARG  61   9.277 -13.006   4.706
  282   1HH1  ARG  61          1HH1      ARG  61   9.709 -13.187   1.252
  283   2HH1  ARG  61          2HH1      ARG  61   9.708 -14.919   1.213
  284   1HH2  ARG  61          1HH2      ARG  61   9.279 -15.289   4.663
  285   2HH2  ARG  61          2HH2      ARG  61   9.463 -16.112   3.150
  286    H    GLU  62           H        GLU  62  11.045  -6.841   4.455
  287    HA   GLU  62           HA       GLU  62  12.259  -8.136   6.616
  288   1HB   GLU  62          2HB       GLU  62  13.477  -6.788   4.932
  289   2HB   GLU  62          1HB       GLU  62  12.777  -5.328   5.618
  290   1HG   GLU  62          2HG       GLU  62  15.047  -5.636   6.393
  291   2HG   GLU  62          1HG       GLU  62  13.910  -5.772   7.732
  292    H    ASN  63           H        ASN  63  10.130  -5.365   6.476
  293    HA   ASN  63           HA       ASN  63  10.213  -5.210   9.417
  294   1HB   ASN  63          2HB       ASN  63   9.436  -3.007   7.492
  295   2HB   ASN  63          1HB       ASN  63   9.543  -2.875   9.244
  296   1HD2  ASN  63          1HD2      ASN  63  10.933  -1.389   7.152
  297   2HD2  ASN  63          2HD2      ASN  63  12.620  -1.606   7.456
  298    H    ASP  64           H        ASP  64   8.620  -6.750   9.751
  299    HA   ASP  64           HA       ASP  64   6.204  -7.039   8.473
  300   1HB   ASP  64          2HB       ASP  64   6.737  -7.385  11.432
  301   2HB   ASP  64          1HB       ASP  64   5.374  -8.069  10.550
  302    H    ILE  65           H        ILE  65   5.008  -5.312   7.921
  303    HA   ILE  65           HA       ILE  65   3.996  -3.607  10.104
  304    HB   ILE  65           HB       ILE  65   4.816  -2.781   7.320
  305   1HG1  ILE  65          2HG1      ILE  65   6.615  -2.817   8.979
  306   2HG1  ILE  65          1HG1      ILE  65   6.232  -1.163   8.516
  307   1HG2  ILE  65          3HG2      ILE  65   3.213  -1.221   9.338
  308   2HG2  ILE  65          2HG2      ILE  65   3.963  -0.531   7.898
  309   3HG2  ILE  65          1HG2      ILE  65   2.692  -1.742   7.735
  310   1HD1  ILE  65          3HD1      ILE  65   4.852  -0.993  10.590
  311   2HD1  ILE  65          2HD1      ILE  65   5.480  -2.573  11.060
  312   3HD1  ILE  65          1HD1      ILE  65   6.582  -1.211  10.863
  313    H    VAL  66           H        VAL  66   1.938  -4.119  10.400
  314    HA   VAL  66           HA       VAL  66   0.293  -5.352   8.450
  315    HB   VAL  66           HB       VAL  66  -0.056  -5.647  10.868
  316   1HG1  VAL  66          2HG1      VAL  66   0.465  -3.369  11.579
  317   2HG1  VAL  66          1HG1      VAL  66  -1.023  -2.792  10.828
  318   3HG1  VAL  66          3HG1      VAL  66  -1.100  -3.896  12.202
  319   1HG2  VAL  66          1HG2      VAL  66  -1.901  -6.085   9.317
  320   2HG2  VAL  66          3HG2      VAL  66  -2.485  -5.512  10.879
  321   3HG2  VAL  66          2HG2      VAL  66  -2.445  -4.417   9.497
  322    H    GLY  67           H        GLY  67  -1.746  -4.467   7.621
  323   1HA   GLY  67          1HA       GLY  67  -2.869  -2.924   6.343
  324   2HA   GLY  67          2HA       GLY  67  -1.350  -2.052   6.225
  325    H    ASP  68           H        ASP  68  -2.152  -2.464   9.444
  326    HA   ASP  68           HA       ASP  68  -3.985  -0.273   9.710
  327   1HB   ASP  68          2HB       ASP  68  -3.945  -2.189  11.287
  328   2HB   ASP  68          1HB       ASP  68  -2.357  -1.671  11.843
  329    H    LEU  69           H        LEU  69  -0.705  -0.420   9.131
  330    HA   LEU  69           HA       LEU  69  -0.124   2.059  10.586
  331   1HB   LEU  69          2HB       LEU  69   1.588  -0.047   9.318
  332   2HB   LEU  69          1HB       LEU  69   2.243   1.549   9.617
  333    HG   LEU  69           HG       LEU  69   2.902   0.139  11.418
  334   1HD1  LEU  69          2HD1      LEU  69   2.251   2.411  12.038
  335   2HD1  LEU  69          1HD1      LEU  69   0.610   1.851  12.354
  336   3HD1  LEU  69          3HD1      LEU  69   1.947   1.263  13.341
  337   1HD2  LEU  69          2HD2      LEU  69   0.001  -0.620  11.594
  338   2HD2  LEU  69          1HD2      LEU  69   1.384  -1.664  11.253
  339   3HD2  LEU  69          3HD2      LEU  69   1.179  -0.967  12.861
  340    H    LEU  70           H        LEU  70  -0.491   0.758   7.372
  341    HA   LEU  70           HA       LEU  70   0.774   2.571   5.772
  342   1HB   LEU  70          2HB       LEU  70  -1.974   1.428   5.275
  343   2HB   LEU  70          1HB       LEU  70  -0.903   2.095   4.059
  344    HG   LEU  70           HG       LEU  70  -0.327  -0.367   5.711
  345   1HD1  LEU  70          1HD1      LEU  70  -1.176  -0.093   2.832
  346   2HD1  LEU  70          3HD1      LEU  70  -0.694  -1.592   3.626
  347   3HD1  LEU  70          2HD1      LEU  70  -2.151  -0.746   4.148
  348   1HD2  LEU  70          3HD2      LEU  70   1.149   0.859   3.384
  349   2HD2  LEU  70          2HD2      LEU  70   1.699   0.811   5.058
  350   3HD2  LEU  70          1HD2      LEU  70   1.530  -0.687   4.143
  351    HA   PRO  71           HA       PRO  71  -3.075   5.570   5.953
  352   1HB   PRO  71          2HB       PRO  71  -4.184   4.924   8.614
  353   2HB   PRO  71          1HB       PRO  71  -5.024   5.235   7.093
  354   1HG   PRO  71          2HG       PRO  71  -4.895   2.775   8.113
  355   2HG   PRO  71          1HG       PRO  71  -4.776   3.049   6.363
  356   1HD   PRO  71          2HD       PRO  71  -2.596   2.512   8.350
  357   2HD   PRO  71          1HD       PRO  71  -2.823   1.847   6.722
  358    H    GLU  72           H        GLU  72  -1.107   4.666   8.688
  359    HA   GLU  72           HA       GLU  72  -0.917   7.503   9.463
  360   1HB   GLU  72          2HB       GLU  72  -0.236   6.750  11.682
  361   2HB   GLU  72          1HB       GLU  72  -1.802   6.081  11.245
  362   1HG   GLU  72          2HG       GLU  72  -0.758   3.955  10.698
  363   2HG   GLU  72          1HG       GLU  72   0.826   4.621  11.090
  364    H    LEU  73           H        LEU  73   0.648   5.698   7.463
  365    HA   LEU  73           HA       LEU  73   3.337   6.039   8.561
  366   1HB   LEU  73          2HB       LEU  73   2.201   4.510   6.258
  367   2HB   LEU  73          1HB       LEU  73   3.901   4.938   6.247
  368    HG   LEU  73           HG       LEU  73   2.567   3.358   8.446
  369   1HD1  LEU  73          3HD1      LEU  73   2.551   2.121   6.340
  370   2HD1  LEU  73          2HD1      LEU  73   4.283   2.400   6.161
  371   3HD1  LEU  73          1HD1      LEU  73   3.681   1.413   7.494
  372   1HD2  LEU  73          1HD2      LEU  73   4.558   4.610   9.140
  373   2HD2  LEU  73          3HD2      LEU  73   4.840   2.869   9.154
  374   3HD2  LEU  73          2HD2      LEU  73   5.477   3.857   7.839
  375    H    CYS  74           H        CYS  74   4.357   7.879   8.222
  376    HA   CYS  74           HA       CYS  74   3.499   9.789   6.287
  377   1HB   CYS  74          2HB       CYS  74   5.993   9.721   7.998
  378   2HB   CYS  74          1HB       CYS  74   5.437  11.111   7.071
  379    HG   CYS  74           HG       CYS  74   3.018  10.038   9.038
  380    H    LEU  75           H        LEU  75   5.286  10.876   4.889
  381    HA   LEU  75           HA       LEU  75   6.018   9.026   2.890
  382   1HB   LEU  75          2HB       LEU  75   6.568  11.921   3.380
  383   2HB   LEU  75          1HB       LEU  75   7.472  11.083   2.134
  384    HG   LEU  75           HG       LEU  75   5.549  12.269   1.202
  385   1HD1  LEU  75          2HD1      LEU  75   6.324  10.226   0.114
  386   2HD1  LEU  75          1HD1      LEU  75   5.223   9.274   1.109
  387   3HD1  LEU  75          3HD1      LEU  75   4.580  10.426  -0.061
  388   1HD2  LEU  75          2HD2      LEU  75   4.076  12.189   3.143
  389   2HD2  LEU  75          1HD2      LEU  75   3.270  11.546   1.711
  390   3HD2  LEU  75          3HD2      LEU  75   3.892  10.447   2.942
  391    H    GLN  76           H        GLN  76   7.590  10.006   5.769
  392    HA   GLN  76           HA       GLN  76  10.281   9.606   5.001
  393   1HB   GLN  76          2HB       GLN  76   9.790  10.814   7.024
  394   2HB   GLN  76          1HB       GLN  76   8.928   9.436   7.696
  395   1HG   GLN  76          2HG       GLN  76  11.203   9.808   8.637
  396   2HG   GLN  76          1HG       GLN  76  10.939   8.201   7.961
  397   1HE2  GLN  76          1HE2      GLN  76  12.560  11.252   7.563
  398   2HE2  GLN  76          2HE2      GLN  76  13.684  10.727   6.359
  399    H    ASP  77           H        ASP  77   8.128   7.479   6.895
  400    HA   ASP  77           HA       ASP  77   9.832   5.250   6.853
  401   1HB   ASP  77          2HB       ASP  77   6.820   5.353   7.132
  402   2HB   ASP  77          1HB       ASP  77   7.825   3.957   7.509
  403    H    CYS  78           H        CYS  78   7.480   6.429   4.560
  404    HA   CYS  78           HA       CYS  78   7.287   4.035   3.025
  405   1HB   CYS  78          2HB       CYS  78   6.682   6.906   2.284
  406   2HB   CYS  78          1HB       CYS  78   6.256   5.506   1.306
  407    HG   CYS  78           HG       CYS  78   5.107   5.896   4.500
  408    H    GLN  79           H        GLN  79   9.316   6.917   2.860
  409    HA   GLN  79           HA       GLN  79  10.503   6.341   0.357
  410   1HB   GLN  79          2HB       GLN  79  10.527   8.548   1.667
  411   2HB   GLN  79          1HB       GLN  79  11.863   7.856   2.578
  412   1HG   GLN  79          2HG       GLN  79  13.045   7.508   0.397
  413   2HG   GLN  79          1HG       GLN  79  11.761   8.440  -0.369
  414   1HE2  GLN  79          1HE2      GLN  79  11.488  10.232   1.942
  415   2HE2  GLN  79          2HE2      GLN  79  12.850  11.290   1.879
  416    H    ASP  80           H        ASP  80  11.432   5.599   3.689
  417    HA   ASP  80           HA       ASP  80  13.907   4.394   3.136
  418   1HB   ASP  80          2HB       ASP  80  13.158   5.048   5.405
  419   2HB   ASP  80          1HB       ASP  80  11.969   3.749   5.371
  420    H    LEU  81           H        LEU  81  10.629   3.137   3.207
  421    HA   LEU  81           HA       LEU  81  11.250   0.402   2.917
  422   1HB   LEU  81          2HB       LEU  81   8.867   2.122   2.682
  423   2HB   LEU  81          1HB       LEU  81   8.802   0.639   1.755
  424    HG   LEU  81           HG       LEU  81   8.853  -0.712   3.665
  425   1HD1  LEU  81          3HD1      LEU  81   9.803   1.702   5.200
  426   2HD1  LEU  81          2HD1      LEU  81   9.359   0.159   5.929
  427   3HD1  LEU  81          1HD1      LEU  81  10.729   0.249   4.824
  428   1HD2  LEU  81          2HD2      LEU  81   6.739   0.510   3.387
  429   2HD2  LEU  81          1HD2      LEU  81   7.068   0.117   5.076
  430   3HD2  LEU  81          3HD2      LEU  81   7.334   1.757   4.484
  431    H    CYS  82           H        CYS  82  11.544   2.990   0.774
  432    HA   CYS  82           HA       CYS  82  11.396   1.263  -1.593
  433   1HB   CYS  82          2HB       CYS  82  11.615   4.275  -1.400
  434   2HB   CYS  82          1HB       CYS  82  11.434   3.353  -2.888
  435    HG   CYS  82           HG       CYS  82   9.019   4.679  -2.111
  436    H    ASP  83           H        ASP  83  13.102   2.067  -3.333
  437    HA   ASP  83           HA       ASP  83  15.636   1.291  -2.353
  438   1HB   ASP  83          2HB       ASP  83  14.893   2.593  -4.981
  439   2HB   ASP  83          1HB       ASP  83  16.447   1.844  -4.628
  440    H    GLY  84           H        GLY  84  14.140   4.402  -2.910
  441   1HA   GLY  84          1HA       GLY  84  16.649   5.819  -2.460
  442   2HA   GLY  84          2HA       GLY  84  15.436   5.964  -1.198
  443    H    ASP  85           H        ASP  85  14.211   5.617  -4.372
  444    HA   ASP  85           HA       ASP  85  14.230   8.368  -5.109
  445   1HB   ASP  85          2HB       ASP  85  13.139   5.839  -6.178
  446   2HB   ASP  85          1HB       ASP  85  12.264   7.295  -6.625
  447    H    LEU  86           H        LEU  86  13.055   9.891  -4.167
  448    HA   LEU  86           HA       LEU  86  10.965   9.432  -2.364
  449   1HB   LEU  86          2HB       LEU  86  12.283  11.496  -2.408
  450   2HB   LEU  86          1HB       LEU  86  11.585  11.921  -3.958
  451    HG   LEU  86           HG       LEU  86   9.362  12.093  -2.896
  452   1HD1  LEU  86          2HD1      LEU  86  10.883  11.590  -0.342
  453   2HD1  LEU  86          1HD1      LEU  86   9.200  12.108  -0.450
  454   3HD1  LEU  86          3HD1      LEU  86   9.678  10.527  -1.068
  455   1HD2  LEU  86          2HD2      LEU  86  11.523  13.751  -1.604
  456   2HD2  LEU  86          1HD2      LEU  86  10.733  14.082  -3.146
  457   3HD2  LEU  86          3HD2      LEU  86   9.807  14.155  -1.647
  458    H    ASN  87           H        ASN  87  10.937  10.158  -5.818
  459    HA   ASN  87           HA       ASN  87   8.278  10.681  -6.278
  460   1HB   ASN  87          2HB       ASN  87  10.229  10.583  -7.940
  461   2HB   ASN  87          1HB       ASN  87   9.880   8.866  -8.071
  462   1HD2  ASN  87          1HD2      ASN  87   7.949   8.194  -9.009
  463   2HD2  ASN  87          2HD2      ASN  87   7.003   9.245 -10.001
  464    H    LYS  88           H        LYS  88   9.859   7.533  -6.028
  465    HA   LYS  88           HA       LYS  88   7.739   5.862  -6.606
  466   1HB   LYS  88          2HB       LYS  88   9.976   5.008  -6.320
  467   2HB   LYS  88          1HB       LYS  88  10.004   5.516  -4.641
  468   1HG   LYS  88          2HG       LYS  88   9.684   3.163  -4.682
  469   2HG   LYS  88          1HG       LYS  88   8.157   3.899  -4.197
  470   1HD   LYS  88          2HD       LYS  88   7.506   2.289  -5.741
  471   2HD   LYS  88          1HD       LYS  88   7.550   3.768  -6.700
  472   1HE   LYS  88          2HE       LYS  88   9.825   1.797  -6.540
  473   2HE   LYS  88          1HE       LYS  88   8.585   1.763  -7.792
  474   1HZ   LYS  88          1HZ       LYS  88   9.255   4.056  -8.379
  475   2HZ   LYS  88          3HZ       LYS  88  10.533   3.942  -7.274
  476   3HZ   LYS  88          2HZ       LYS  88  10.484   2.918  -8.618
  477    H    ALA  89           H        ALA  89   8.554   7.473  -3.574
  478    HA   ALA  89           HA       ALA  89   6.613   6.202  -1.971
  479   1HB   ALA  89          1HB       ALA  89   8.588   7.512  -1.146
  480   2HB   ALA  89          2HB       ALA  89   7.060   7.856  -0.333
  481   3HB   ALA  89          3HB       ALA  89   7.689   8.979  -1.541
  482    H    ILE  90           H        ILE  90   6.524   9.191  -3.901
  483    HA   ILE  90           HA       ILE  90   4.091  10.209  -3.115
  484    HB   ILE  90           HB       ILE  90   5.543  10.224  -5.734
  485   1HG1  ILE  90          2HG1      ILE  90   6.061  12.433  -5.222
  486   2HG1  ILE  90          1HG1      ILE  90   4.764  12.589  -4.050
  487   1HG2  ILE  90          3HG2      ILE  90   2.859  11.481  -5.191
  488   2HG2  ILE  90          2HG2      ILE  90   3.892  11.891  -6.559
  489   3HG2  ILE  90          1HG2      ILE  90   3.239  10.260  -6.406
  490   1HD1  ILE  90          1HD1      ILE  90   7.278  10.976  -3.729
  491   2HD1  ILE  90          3HD1      ILE  90   6.958  12.549  -3.002
  492   3HD1  ILE  90          2HD1      ILE  90   6.002  11.146  -2.524
  493    H    LYS  91           H        LYS  91   4.700   7.895  -5.766
  494    HA   LYS  91           HA       LYS  91   2.027   7.462  -6.469
  495   1HB   LYS  91          2HB       LYS  91   4.354   5.532  -6.641
  496   2HB   LYS  91          1HB       LYS  91   2.822   5.354  -7.485
  497   1HG   LYS  91          2HG       LYS  91   4.737   7.646  -7.870
  498   2HG   LYS  91          1HG       LYS  91   4.622   6.231  -8.918
  499   1HD   LYS  91          2HD       LYS  91   2.338   8.120  -8.358
  500   2HD   LYS  91          1HD       LYS  91   3.396   8.233  -9.765
  501   1HE   LYS  91          2HE       LYS  91   1.672   5.862  -9.049
  502   2HE   LYS  91          1HE       LYS  91   1.293   7.070 -10.277
  503   1HZ   LYS  91          2HZ       LYS  91   3.647   5.258 -10.306
  504   2HZ   LYS  91          1HZ       LYS  91   2.256   5.081 -11.252
  505   3HZ   LYS  91          3HZ       LYS  91   3.276   6.411 -11.487
  506    H    PHE  92           H        PHE  92   4.024   6.082  -3.958
  507    HA   PHE  92           HA       PHE  92   2.390   3.919  -3.218
  508   1HB   PHE  92          2HB       PHE  92   4.775   4.335  -2.515
  509   2HB   PHE  92          1HB       PHE  92   4.170   5.551  -1.398
  510    HD1  PHE  92           HD1      PHE  92   3.095   2.076  -2.257
  511    HD2  PHE  92           HD2      PHE  92   4.323   4.825   0.751
  512    HE1  PHE  92           HE1      PHE  92   2.786   0.333  -0.546
  513    HE2  PHE  92           HE2      PHE  92   4.009   3.089   2.470
  514    HZ   PHE  92           HZ       PHE  92   3.244   0.840   1.820
  515    H    LYS  93           H        LYS  93   2.709   7.086  -1.612
  516    HA   LYS  93           HA       LYS  93   0.557   6.789   0.138
  517   1HB   LYS  93          2HB       LYS  93   2.305   8.518   0.356
  518   2HB   LYS  93          1HB       LYS  93   1.652   9.346  -1.050
  519   1HG   LYS  93          2HG       LYS  93   0.892  10.479   0.899
  520   2HG   LYS  93          1HG       LYS  93  -0.485   9.633   0.191
  521   1HD   LYS  93          2HD       LYS  93  -0.217   7.828   1.822
  522   2HD   LYS  93          1HD       LYS  93   1.170   8.665   2.522
  523   1HE   LYS  93          2HE       LYS  93  -0.830   9.052   3.852
  524   2HE   LYS  93          1HE       LYS  93  -0.270  10.553   3.115
  525   1HZ   LYS  93          2HZ       LYS  93  -1.953  10.261   1.383
  526   2HZ   LYS  93          1HZ       LYS  93  -2.511   8.860   2.149
  527   3HZ   LYS  93          3HZ       LYS  93  -2.651  10.360   2.922
  528    H    ILE  94           H        ILE  94   0.615   7.569  -3.236
  529    HA   ILE  94           HA       ILE  94  -1.914   8.849  -3.391
  530    HB   ILE  94           HB       ILE  94  -0.132   7.560  -5.429
  531   1HG1  ILE  94          2HG1      ILE  94  -1.201  10.380  -5.189
  532   2HG1  ILE  94          1HG1      ILE  94   0.334   9.851  -4.509
  533   1HG2  ILE  94          3HG2      ILE  94  -2.895   8.665  -5.920
  534   2HG2  ILE  94          2HG2      ILE  94  -1.726   8.271  -7.180
  535   3HG2  ILE  94          1HG2      ILE  94  -2.371   6.996  -6.144
  536   1HD1  ILE  94          3HD1      ILE  94  -0.399   9.822  -7.428
  537   2HD1  ILE  94          2HD1      ILE  94   0.637  11.005  -6.628
  538   3HD1  ILE  94          1HD1      ILE  94   1.146   9.321  -6.741
  539    H    LEU  95           H        LEU  95  -1.028   5.630  -4.671
  540    HA   LEU  95           HA       LEU  95  -3.566   4.696  -5.146
  541   1HB   LEU  95          2HB       LEU  95  -1.223   3.075  -4.146
  542   2HB   LEU  95          1HB       LEU  95  -2.643   2.430  -4.945
  543    HG   LEU  95           HG       LEU  95  -0.627   4.293  -6.204
  544   1HD1  LEU  95          2HD1      LEU  95   0.184   1.985  -5.746
  545   2HD1  LEU  95          1HD1      LEU  95  -1.128   1.375  -6.754
  546   3HD1  LEU  95          3HD1      LEU  95   0.122   2.401  -7.458
  547   1HD2  LEU  95          3HD2      LEU  95  -2.898   4.584  -7.092
  548   2HD2  LEU  95          2HD2      LEU  95  -1.813   3.859  -8.280
  549   3HD2  LEU  95          1HD2      LEU  95  -2.981   2.852  -7.424
  550    H    ILE  96           H        ILE  96  -1.850   4.887  -2.108
  551    HA   ILE  96           HA       ILE  96  -3.750   3.297  -0.672
  552    HB   ILE  96           HB       ILE  96  -1.638   5.177   0.388
  553   1HG1  ILE  96          2HG1      ILE  96  -1.490   2.171   0.202
  554   2HG1  ILE  96          1HG1      ILE  96  -0.924   3.212  -1.099
  555   1HG2  ILE  96          3HG2      ILE  96  -3.367   4.703   2.040
  556   2HG2  ILE  96          2HG2      ILE  96  -3.171   2.973   1.764
  557   3HG2  ILE  96          1HG2      ILE  96  -1.855   3.907   2.473
  558   1HD1  ILE  96          3HD1      ILE  96   0.652   4.263   0.455
  559   2HD1  ILE  96          2HD1      ILE  96   0.106   3.170   1.727
  560   3HD1  ILE  96          1HD1      ILE  96   0.914   2.528   0.296
  561    H    ASN  97           H        ASN  97  -3.325   6.692  -1.365
  562    HA   ASN  97           HA       ASN  97  -5.124   7.687   0.593
  563   1HB   ASN  97          2HB       ASN  97  -3.467   9.140  -0.450
  564   2HB   ASN  97          1HB       ASN  97  -4.216   8.899  -2.026
  565   1HD2  ASN  97          1HD2      ASN  97  -6.193   9.878  -2.473
  566   2HD2  ASN  97          2HD2      ASN  97  -6.800  11.187  -1.524
  567    H    LYS  98           H        LYS  98  -5.504   7.060  -2.895
  568    HA   LYS  98           HA       LYS  98  -8.217   7.772  -3.042
  569   1HB   LYS  98          2HB       LYS  98  -6.421   6.082  -4.748
  570   2HB   LYS  98          1HB       LYS  98  -8.142   6.167  -5.095
  571   1HG   LYS  98          2HG       LYS  98  -7.054   7.764  -6.469
  572   2HG   LYS  98          1HG       LYS  98  -7.917   8.652  -5.213
  573   1HD   LYS  98          2HD       LYS  98  -5.800   8.825  -3.939
  574   2HD   LYS  98          1HD       LYS  98  -4.964   8.032  -5.276
  575   1HE   LYS  98          2HE       LYS  98  -4.703  10.457  -5.385
  576   2HE   LYS  98          1HE       LYS  98  -5.613   9.851  -6.769
  577   1HZ   LYS  98          2HZ       LYS  98  -7.658  10.527  -5.666
  578   2HZ   LYS  98          1HZ       LYS  98  -6.780  11.116  -4.347
  579   3HZ   LYS  98          3HZ       LYS  98  -6.620  11.846  -5.866
  580    H    MET  99           H        MET  99  -6.683   4.583  -2.640
  581    HA   MET  99           HA       MET  99  -8.992   3.032  -2.605
  582   1HB   MET  99          2HB       MET  99  -6.566   2.257  -2.621
  583   2HB   MET  99          1HB       MET  99  -6.572   2.501  -0.881
  584   1HG   MET  99          2HG       MET  99  -8.550   0.721  -2.271
  585   2HG   MET  99          1HG       MET  99  -6.980   0.148  -1.714
  586   1HE   MET  99          2HE       MET  99  -6.602   1.832   0.972
  587   2HE   MET  99          1HE       MET  99  -7.258   0.705   2.161
  588   3HE   MET  99          3HE       MET  99  -6.244   0.110   0.847
  589    H    ARG 100           H        ARG 100  -7.465   4.898  -0.045
  590    HA   ARG 100           HA       ARG 100  -8.934   3.931   2.131
  591   1HB   ARG 100          2HB       ARG 100  -6.897   5.384   2.246
  592   2HB   ARG 100          1HB       ARG 100  -7.898   6.745   1.763
  593   1HG   ARG 100          2HG       ARG 100  -8.737   5.163   4.131
  594   2HG   ARG 100          1HG       ARG 100  -7.353   6.245   4.292
  595   1HD   ARG 100          2HD       ARG 100  -8.698   8.121   3.555
  596   2HD   ARG 100          1HD       ARG 100 -10.075   7.057   3.274
  597    HE   ARG 100           HE       ARG 100  -9.378   6.717   5.919
  598   1HH1  ARG 100          1HH1      ARG 100 -10.423   9.348   3.886
  599   2HH1  ARG 100          2HH1      ARG 100 -11.209  10.199   5.173
  600   1HH2  ARG 100          1HH2      ARG 100 -10.410   7.830   7.616
  601   2HH2  ARG 100          2HH2      ARG 100 -11.203   9.335   7.294
  602    H    ASP 101           H        ASP 101  -9.455   7.057   0.484
  603    HA   ASP 101           HA       ASP 101 -12.100   7.296   1.562
  604   1HB   ASP 101          2HB       ASP 101 -10.684   9.268   1.123
  605   2HB   ASP 101          1HB       ASP 101 -10.744   8.917  -0.602
  606    H    SER 102           H        SER 102 -11.088   7.425  -1.853
  607    HA   SER 102           HA       SER 102 -12.833   5.340  -2.681
  608   1HB   SER 102          2HB       SER 102 -14.557   7.022  -2.222
  609   2HB   SER 102          1HB       SER 102 -13.725   8.175  -3.266
  610    HG   SER 102           HG       SER 102 -15.260   5.950  -3.929
  611    H    LYS 103           H        LYS 103 -12.499   4.755  -4.819
  612    HA   LYS 103           HA       LYS 103 -10.307   6.186  -6.153
  613   1HB   LYS 103          2HB       LYS 103 -11.298   3.363  -6.589
  614   2HB   LYS 103          1HB       LYS 103  -9.903   4.096  -7.368
  615   1HG   LYS 103          2HG       LYS 103  -8.853   4.357  -5.141
  616   2HG   LYS 103          1HG       LYS 103 -10.220   3.494  -4.436
  617   1HD   LYS 103          2HD       LYS 103  -8.520   2.329  -6.629
  618   2HD   LYS 103          1HD       LYS 103  -8.137   2.124  -4.920
  619   1HE   LYS 103          2HE       LYS 103  -9.339   0.195  -5.531
  620   2HE   LYS 103          1HE       LYS 103 -10.485   1.204  -4.651
  621   1HZ   LYS 103          1HZ       LYS 103 -10.294   1.144  -7.611
  622   2HZ   LYS 103          3HZ       LYS 103 -11.368   0.184  -6.723
  623   3HZ   LYS 103          2HZ       LYS 103 -11.502   1.869  -6.675
  624    H    LEU 104           H        LEU 104 -13.257   6.784  -6.221
  625    HA   LEU 104           HA       LEU 104 -13.526   6.802  -9.149
  626   1HB   LEU 104          2HB       LEU 104 -15.069   5.181  -7.972
  627   2HB   LEU 104          1HB       LEU 104 -15.833   6.570  -7.225
  628    HG   LEU 104           HG       LEU 104 -16.310   7.425  -9.561
  629   1HD1  LEU 104          2HD1      LEU 104 -14.665   6.052 -10.740
  630   2HD1  LEU 104          1HD1      LEU 104 -15.562   4.599 -10.300
  631   3HD1  LEU 104          3HD1      LEU 104 -16.293   5.796 -11.368
  632   1HD2  LEU 104          1HD2      LEU 104 -18.024   6.408  -8.156
  633   2HD2  LEU 104          3HD2      LEU 104 -18.253   5.970  -9.850
  634   3HD2  LEU 104          2HD2      LEU 104 -17.552   4.807  -8.724
  635    H    GLU 105           H        GLU 105 -14.196   8.360  -6.071
  636    HA   GLU 105           HA       GLU 105 -15.364  10.708  -7.205
  637   1HB   GLU 105          2HB       GLU 105 -14.184  10.203  -4.467
  638   2HB   GLU 105          1HB       GLU 105 -15.064  11.656  -4.920
  639   1HG   GLU 105          2HG       GLU 105 -16.179   8.861  -4.914
  640   2HG   GLU 105          1HG       GLU 105 -16.461  10.087  -3.680
  641    H    TRP 106           H        TRP 106 -13.989  11.551  -8.737
  642    HA   TRP 106           HA       TRP 106 -11.533  12.768  -7.676
  643   1HB   TRP 106          2HB       TRP 106 -10.586  12.413 -10.040
  644   2HB   TRP 106          1HB       TRP 106 -10.670  11.011  -8.978
  645    HD1  TRP 106           HD1      TRP 106 -13.297  12.547 -11.410
  646    HE1  TRP 106           HE1      TRP 106 -14.189  10.647 -12.899
  647    HE3  TRP 106           HE3      TRP 106 -10.446   8.700  -9.618
  648    HZ2  TRP 106           HZ2      TRP 106 -13.739   7.889 -13.273
  649    HZ3  TRP 106           HZ3      TRP 106 -10.739   6.462 -10.598
  650    HH2  TRP 106           HH2      TRP 106 -12.352   6.067 -12.388
  651    H    LYS 107           H        LYS 107 -14.427  13.569  -8.423
  652    HA   LYS 107           HA       LYS 107 -13.723  15.836 -10.168
  653   1HB   LYS 107          2HB       LYS 107 -16.419  14.559  -9.670
  654   2HB   LYS 107          1HB       LYS 107 -16.155  15.988 -10.657
  655   1HG   LYS 107          2HG       LYS 107 -14.888  13.320 -11.217
  656   2HG   LYS 107          1HG       LYS 107 -16.412  13.853 -11.925
  657   1HD   LYS 107          2HD       LYS 107 -13.830  15.388 -12.177
  658   2HD   LYS 107          1HD       LYS 107 -14.382  14.205 -13.364
  659   1HE   LYS 107          2HE       LYS 107 -16.422  15.511 -13.713
  660   2HE   LYS 107          1HE       LYS 107 -15.873  16.692 -12.524
  661   1HZ   LYS 107          3HZ       LYS 107 -14.454  16.038 -15.051
  662   2HZ   LYS 107          2HZ       LYS 107 -15.439  17.394 -14.815
  663   3HZ   LYS 107          1HZ       LYS 107 -14.007  17.225 -13.930
  664    H    ASP 108           H        ASP 108 -13.165  17.458  -8.821
  665    HA   ASP 108           HA       ASP 108 -15.065  18.144  -6.673
  666   1HB   ASP 108          2HB       ASP 108 -12.070  18.574  -6.739
  667   2HB   ASP 108          1HB       ASP 108 -13.144  19.168  -5.476

  No H/Q in entry =         667
  Start of MODEL   12
    1    H1   GLY  24          2H        GLY  24 -15.227 -13.324  -3.736
    2    H2   GLY  24          1H        GLY  24 -14.923 -12.443  -5.149
    3    H3   GLY  24          3H        GLY  24 -16.473 -13.050  -4.846
    4   1HA   GLY  24          2HA       GLY  24 -15.356 -14.398  -6.502
    5   2HA   GLY  24          1HA       GLY  24 -15.677 -15.313  -5.037
    6    H    SER  25           H        SER  25 -13.848 -16.382  -6.594
    7    HA   SER  25           HA       SER  25 -11.736 -17.222  -6.612
    8   1HB   SER  25          2HB       SER  25 -11.216 -15.084  -7.683
    9   2HB   SER  25          1HB       SER  25 -11.007 -14.327  -6.104
   10    HG   SER  25           HG       SER  25  -8.990 -14.874  -6.662
   11    H    HIS  26           H        HIS  26 -12.018 -18.490  -4.752
   12    HA   HIS  26           HA       HIS  26 -11.554 -19.275  -2.671
   13   1HB   HIS  26          2HB       HIS  26  -9.290 -17.281  -2.891
   14   2HB   HIS  26          1HB       HIS  26  -9.409 -18.528  -1.654
   15    HD1  HIS  26           HD1      HIS  26  -8.391 -20.727  -2.212
   16    HD2  HIS  26           HD2      HIS  26  -9.085 -18.418  -5.597
   17    HE1  HIS  26           HE1      HIS  26  -7.362 -22.004  -4.119
   18    HE2  HIS  26           HE2      HIS  26  -7.848 -20.617  -6.165
   19    H    MET  27           H        MET  27 -10.224 -16.159  -1.783
   20    HA   MET  27           HA       MET  27 -12.668 -15.432  -0.360
   21   1HB   MET  27          2HB       MET  27  -9.973 -15.776   0.964
   22   2HB   MET  27          1HB       MET  27 -11.345 -14.969   1.712
   23   1HG   MET  27          2HG       MET  27 -11.235 -17.851   0.851
   24   2HG   MET  27          1HG       MET  27 -11.124 -17.250   2.504
   25   1HE   MET  27          3HE       MET  27 -13.130 -16.022   3.762
   26   2HE   MET  27          2HE       MET  27 -13.284 -14.880   2.427
   27   3HE   MET  27          1HE       MET  27 -14.707 -15.729   3.030
   28    H    ASN  28           H        ASN  28 -13.093 -13.348  -0.655
   29    HA   ASN  28           HA       ASN  28 -10.888 -11.575  -1.466
   30   1HB   ASN  28          2HB       ASN  28 -12.662 -11.837  -3.145
   31   2HB   ASN  28          1HB       ASN  28 -13.860 -11.299  -1.972
   32   1HD2  ASN  28          1HD2      ASN  28 -13.920  -9.136  -1.365
   33   2HD2  ASN  28          2HD2      ASN  28 -13.148  -7.903  -2.295
   34    H    ASN  29           H        ASN  29 -10.228 -10.141  -0.020
   35    HA   ASN  29           HA       ASN  29 -11.977  -9.476   2.234
   36   1HB   ASN  29          2HB       ASN  29  -9.025  -8.927   1.865
   37   2HB   ASN  29          1HB       ASN  29  -9.954  -8.663   3.337
   38   1HD2  ASN  29          1HD2      ASN  29  -8.493 -11.011   1.246
   39   2HD2  ASN  29          2HD2      ASN  29  -8.612 -12.353   2.330
   40    H    GLU  30           H        GLU  30 -12.328  -7.317   2.886
   41    HA   GLU  30           HA       GLU  30 -11.905  -5.336   0.744
   42   1HB   GLU  30          2HB       GLU  30 -14.158  -5.500   2.754
   43   2HB   GLU  30          1HB       GLU  30 -13.945  -4.209   1.579
   44   1HG   GLU  30          2HG       GLU  30 -14.193  -5.832  -0.239
   45   2HG   GLU  30          1HG       GLU  30 -14.439  -7.111   0.950
   46    H    ASP  31           H        ASP  31 -12.183  -5.735   4.264
   47    HA   ASP  31           HA       ASP  31 -11.331  -3.123   4.924
   48   1HB   ASP  31          2HB       ASP  31 -11.231  -5.680   6.538
   49   2HB   ASP  31          1HB       ASP  31 -10.935  -4.072   7.193
   50    H    PHE  32           H        PHE  32  -9.368  -2.237   5.116
   51    HA   PHE  32           HA       PHE  32  -7.078  -3.796   4.255
   52   1HB   PHE  32          2HB       PHE  32  -5.903  -1.622   4.217
   53   2HB   PHE  32          1HB       PHE  32  -7.390  -1.592   3.277
   54    HD1  PHE  32           HD1      PHE  32  -9.351  -0.368   4.096
   55    HD2  PHE  32           HD2      PHE  32  -5.635  -0.275   6.167
   56    HE1  PHE  32           HE1      PHE  32 -10.107   1.606   5.356
   57    HE2  PHE  32           HE2      PHE  32  -6.384   1.697   7.432
   58    HZ   PHE  32           HZ       PHE  32  -8.623   2.640   7.027
   59    H    SER  33           H        SER  33  -8.507  -2.906   7.178
   60    HA   SER  33           HA       SER  33  -6.162  -2.593   8.770
   61   1HB   SER  33          2HB       SER  33  -8.993  -3.296   9.578
   62   2HB   SER  33          1HB       SER  33  -7.705  -2.830  10.688
   63    HG   SER  33           HG       SER  33  -8.504  -0.907  10.318
   64    H    GLN  34           H        GLN  34  -7.710  -5.304   7.411
   65    HA   GLN  34           HA       GLN  34  -6.516  -7.128   9.378
   66   1HB   GLN  34          2HB       GLN  34  -8.955  -7.335   8.693
   67   2HB   GLN  34          1HB       GLN  34  -8.377  -7.860   7.118
   68   1HG   GLN  34          2HG       GLN  34  -7.291  -9.772   8.108
   69   2HG   GLN  34          1HG       GLN  34  -7.732  -9.220   9.724
   70   1HE2  GLN  34          1HE2      GLN  34  -8.862 -10.656   6.773
   71   2HE2  GLN  34          2HE2      GLN  34 -10.396 -11.178   7.374
   72    H    TRP  35           H        TRP  35  -5.693  -5.670   6.554
   73    HA   TRP  35           HA       TRP  35  -4.670  -7.698   4.931
   74   1HB   TRP  35          2HB       TRP  35  -4.001  -4.802   5.307
   75   2HB   TRP  35          1HB       TRP  35  -2.980  -5.801   4.279
   76    HD1  TRP  35           HD1      TRP  35  -6.633  -6.697   4.141
   77    HE1  TRP  35           HE1      TRP  35  -7.636  -5.878   1.916
   78    HE3  TRP  35           HE3      TRP  35  -2.757  -3.783   2.523
   79    HZ2  TRP  35           HZ2      TRP  35  -6.884  -4.221  -0.236
   80    HZ3  TRP  35           HZ3      TRP  35  -2.979  -2.617   0.370
   81    HH2  TRP  35           HH2      TRP  35  -5.001  -2.832  -0.979
   82    H    SER  36           H        SER  36  -2.609  -8.586   4.694
   83    HA   SER  36           HA       SER  36  -0.964  -8.512   7.134
   84   1HB   SER  36          2HB       SER  36  -0.193 -10.775   6.485
   85   2HB   SER  36          1HB       SER  36  -1.940 -10.712   6.713
   86    HG   SER  36           HG       SER  36  -2.235 -10.795   4.542
   87    H    VAL  37           H        VAL  37   1.382  -9.430   6.461
   88    HA   VAL  37           HA       VAL  37   2.673  -7.350   5.136
   89    HB   VAL  37           HB       VAL  37   3.643 -10.174   5.607
   90   1HG1  VAL  37          2HG1      VAL  37   5.178  -7.705   4.802
   91   2HG1  VAL  37          1HG1      VAL  37   5.908  -9.221   5.334
   92   3HG1  VAL  37          3HG1      VAL  37   4.959  -9.173   3.848
   93   1HG2  VAL  37          2HG2      VAL  37   3.076  -8.970   7.653
   94   2HG2  VAL  37          1HG2      VAL  37   4.820  -9.198   7.514
   95   3HG2  VAL  37          3HG2      VAL  37   4.105  -7.627   7.155
   96    H    ASP  38           H        ASP  38   2.416 -10.706   3.943
   97    HA   ASP  38           HA       ASP  38   3.291 -10.174   1.350
   98   1HB   ASP  38          2HB       ASP  38   1.433 -12.359   2.309
   99   2HB   ASP  38          1HB       ASP  38   2.258 -12.343   0.754
  100    H    ASP  39           H        ASP  39   0.210  -9.620   2.816
  101    HA   ASP  39           HA       ASP  39  -1.332  -9.556   0.422
  102   1HB   ASP  39          2HB       ASP  39  -2.271  -9.850   2.730
  103   2HB   ASP  39          1HB       ASP  39  -1.926  -8.150   3.031
  104    H    VAL  40           H        VAL  40  -0.069  -6.951   2.507
  105    HA   VAL  40           HA       VAL  40  -0.828  -4.814   0.861
  106    HB   VAL  40           HB       VAL  40   1.538  -4.921   2.738
  107   1HG1  VAL  40          2HG1      VAL  40   1.606  -3.011   1.222
  108   2HG1  VAL  40          1HG1      VAL  40  -0.038  -2.573   1.687
  109   3HG1  VAL  40          3HG1      VAL  40   1.264  -2.494   2.874
  110   1HG2  VAL  40          2HG2      VAL  40  -0.663  -5.571   3.747
  111   2HG2  VAL  40          1HG2      VAL  40   0.091  -4.147   4.466
  112   3HG2  VAL  40          3HG2      VAL  40  -1.252  -3.961   3.339
  113    H    ILE  41           H        ILE  41   2.181  -6.678   0.998
  114    HA   ILE  41           HA       ILE  41   3.686  -5.160  -0.803
  115    HB   ILE  41           HB       ILE  41   3.827  -8.126  -0.255
  116   1HG1  ILE  41          2HG1      ILE  41   5.481  -5.854   0.865
  117   2HG1  ILE  41          1HG1      ILE  41   4.133  -6.607   1.710
  118   1HG2  ILE  41          3HG2      ILE  41   5.808  -6.295  -1.603
  119   2HG2  ILE  41          2HG2      ILE  41   6.138  -7.955  -1.110
  120   3HG2  ILE  41          1HG2      ILE  41   4.926  -7.628  -2.347
  121   1HD1  ILE  41          3HD1      ILE  41   6.653  -8.006   0.845
  122   2HD1  ILE  41          2HD1      ILE  41   6.287  -7.450   2.479
  123   3HD1  ILE  41          1HD1      ILE  41   5.315  -8.725   1.742
  124    H    THR  42           H        THR  42   1.906  -8.186  -1.454
  125    HA   THR  42           HA       THR  42   2.333  -8.302  -4.186
  126    HB   THR  42           HB       THR  42  -0.120  -9.228  -2.680
  127    HG1  THR  42           HG1      THR  42   1.543 -11.195  -3.386
  128   1HG2  THR  42          1HG2      THR  42   0.943  -9.984  -5.405
  129   2HG2  THR  42          3HG2      THR  42  -0.351 -10.834  -4.559
  130   3HG2  THR  42          2HG2      THR  42  -0.576  -9.156  -5.056
  131    H    TRP  43           H        TRP  43  -0.671  -7.126  -2.640
  132    HA   TRP  43           HA       TRP  43  -1.921  -6.160  -4.895
  133   1HB   TRP  43          2HB       TRP  43  -3.076  -6.293  -2.773
  134   2HB   TRP  43          1HB       TRP  43  -2.022  -5.066  -2.078
  135    HD1  TRP  43           HD1      TRP  43  -4.928  -5.448  -4.562
  136    HE1  TRP  43           HE1      TRP  43  -6.028  -3.144  -4.887
  137    HE3  TRP  43           HE3      TRP  43  -1.612  -2.584  -1.927
  138    HZ2  TRP  43           HZ2      TRP  43  -5.553  -0.467  -4.128
  139    HZ3  TRP  43           HZ3      TRP  43  -2.008  -0.161  -1.775
  140    HH2  TRP  43           HH2      TRP  43  -3.938   0.874  -2.853
  141    H    CYS  44           H        CYS  44   0.441  -4.492  -2.849
  142    HA   CYS  44           HA       CYS  44   0.277  -1.956  -3.993
  143   1HB   CYS  44          2HB       CYS  44   1.532  -2.490  -1.925
  144   2HB   CYS  44          1HB       CYS  44   2.752  -3.304  -2.900
  145    HG   CYS  44           HG       CYS  44   2.456  -0.359  -4.187
  146    H    ILE  45           H        ILE  45   2.869  -4.306  -4.650
  147    HA   ILE  45           HA       ILE  45   3.939  -3.070  -6.889
  148    HB   ILE  45           HB       ILE  45   3.811  -6.045  -6.384
  149   1HG1  ILE  45          2HG1      ILE  45   5.933  -4.072  -5.519
  150   2HG1  ILE  45          1HG1      ILE  45   4.675  -4.697  -4.456
  151   1HG2  ILE  45          1HG2      ILE  45   5.738  -4.378  -7.994
  152   2HG2  ILE  45          3HG2      ILE  45   5.895  -6.107  -7.679
  153   3HG2  ILE  45          2HG2      ILE  45   4.539  -5.505  -8.630
  154   1HD1  ILE  45          1HD1      ILE  45   5.536  -6.957  -4.773
  155   2HD1  ILE  45          3HD1      ILE  45   6.796  -6.328  -5.833
  156   3HD1  ILE  45          2HD1      ILE  45   6.769  -5.874  -4.130
  157    H    SER  46           H        SER  46   1.123  -5.124  -6.624
  158    HA   SER  46           HA       SER  46   0.849  -5.901  -9.297
  159   1HB   SER  46          2HB       SER  46  -1.259  -5.450  -7.175
  160   2HB   SER  46          1HB       SER  46  -1.565  -6.227  -8.729
  161    HG   SER  46           HG       SER  46   0.565  -7.356  -7.555
  162    H    THR  47           H        THR  47   0.596  -2.788  -7.973
  163    HA   THR  47           HA       THR  47  -0.222  -1.708 -10.502
  164    HB   THR  47           HB       THR  47  -2.426  -2.249  -9.697
  165    HG1  THR  47           HG1      THR  47  -1.755   0.066 -10.484
  166   1HG2  THR  47          2HG2      THR  47  -1.623  -0.761  -7.205
  167   2HG2  THR  47          1HG2      THR  47  -3.282  -1.216  -7.588
  168   3HG2  THR  47          3HG2      THR  47  -2.059  -2.462  -7.343
  169    H    LEU  48           H        LEU  48   1.875  -1.472  -8.249
  170    HA   LEU  48           HA       LEU  48   1.569   1.306  -7.460
  171   1HB   LEU  48          2HB       LEU  48   2.487  -0.300  -5.873
  172   2HB   LEU  48          1HB       LEU  48   3.810  -0.644  -6.971
  173    HG   LEU  48           HG       LEU  48   4.339   1.888  -6.759
  174   1HD1  LEU  48          2HD1      LEU  48   2.265   2.478  -5.593
  175   2HD1  LEU  48          1HD1      LEU  48   2.740   1.448  -4.242
  176   3HD1  LEU  48          3HD1      LEU  48   3.695   2.875  -4.640
  177   1HD2  LEU  48          1HD2      LEU  48   4.792  -0.038  -4.492
  178   2HD2  LEU  48          3HD2      LEU  48   5.781   0.127  -5.941
  179   3HD2  LEU  48          2HD2      LEU  48   5.701   1.446  -4.773
  180    H    GLU  49           H        GLU  49   4.390  -0.387  -8.838
  181    HA   GLU  49           HA       GLU  49   4.606   1.686 -10.881
  182   1HB   GLU  49          2HB       GLU  49   5.924   2.568  -9.046
  183   2HB   GLU  49          1HB       GLU  49   6.805   1.051  -8.911
  184   1HG   GLU  49          2HG       GLU  49   8.135   2.737 -10.036
  185   2HG   GLU  49          1HG       GLU  49   7.766   1.399 -11.120
  186    H    VAL  50           H        VAL  50   6.623  -0.942  -9.573
  187    HA   VAL  50           HA       VAL  50   6.970  -1.940 -12.320
  188    HB   VAL  50           HB       VAL  50   9.004  -3.039 -11.519
  189   1HG1  VAL  50          3HG1      VAL  50   9.102  -0.721 -12.360
  190   2HG1  VAL  50          2HG1      VAL  50   8.932  -0.136 -10.705
  191   3HG1  VAL  50          1HG1      VAL  50  10.358  -1.063 -11.171
  192   1HG2  VAL  50          2HG2      VAL  50   8.311  -3.480  -9.222
  193   2HG2  VAL  50          1HG2      VAL  50   9.850  -2.621  -9.262
  194   3HG2  VAL  50          3HG2      VAL  50   8.368  -1.754  -8.864
  195    H    GLU  51           H        GLU  51   7.949  -4.446 -11.753
  196    HA   GLU  51           HA       GLU  51   5.520  -5.840 -10.890
  197   1HB   GLU  51          2HB       GLU  51   6.589  -7.812 -12.016
  198   2HB   GLU  51          1HB       GLU  51   6.248  -6.459 -13.090
  199   1HG   GLU  51          2HG       GLU  51   8.548  -5.795 -13.083
  200   2HG   GLU  51          1HG       GLU  51   8.938  -6.996 -11.853
  201    H    GLU  52           H        GLU  52   6.286  -8.237 -10.068
  202    HA   GLU  52           HA       GLU  52   7.498  -7.694  -7.524
  203   1HB   GLU  52          2HB       GLU  52   6.631 -10.316  -8.754
  204   2HB   GLU  52          1HB       GLU  52   7.111 -10.092  -7.079
  205   1HG   GLU  52          2HG       GLU  52   5.231  -8.587  -6.729
  206   2HG   GLU  52          1HG       GLU  52   4.754  -8.783  -8.415
  207    H    THR  53           H        THR  53   9.534  -6.941  -8.489
  208    HA   THR  53           HA       THR  53  11.455  -9.140  -8.601
  209    HB   THR  53           HB       THR  53  12.674  -8.120 -10.473
  210    HG1  THR  53           HG1      THR  53  10.864  -6.555 -11.567
  211   1HG2  THR  53          1HG2      THR  53   9.777  -8.688 -11.109
  212   2HG2  THR  53          3HG2      THR  53  11.100  -8.693 -12.275
  213   3HG2  THR  53          2HG2      THR  53  11.067  -9.884 -10.974
  214    H    ASP  54           H        ASP  54  10.970  -5.643  -8.571
  215    HA   ASP  54           HA       ASP  54  13.457  -4.847  -7.615
  216   1HB   ASP  54          2HB       ASP  54  11.817  -3.284  -8.523
  217   2HB   ASP  54          1HB       ASP  54  10.730  -3.605  -7.177
  218    HA   PRO  55           HA       PRO  55  13.693  -6.292  -3.432
  219   1HB   PRO  55          2HB       PRO  55  14.973  -4.119  -2.292
  220   2HB   PRO  55          1HB       PRO  55  15.777  -5.435  -3.152
  221   1HG   PRO  55          2HG       PRO  55  14.989  -2.725  -4.138
  222   2HG   PRO  55          1HG       PRO  55  16.469  -3.650  -4.460
  223   1HD   PRO  55          2HD       PRO  55  14.515  -3.500  -6.274
  224   2HD   PRO  55          1HD       PRO  55  15.425  -5.005  -6.033
  225    H    LEU  56           H        LEU  56  11.750  -3.758  -4.378
  226    HA   LEU  56           HA       LEU  56  10.979  -2.403  -2.117
  227   1HB   LEU  56          2HB       LEU  56  10.084  -1.877  -4.301
  228   2HB   LEU  56          1HB       LEU  56   9.273  -3.429  -4.385
  229    HG   LEU  56           HG       LEU  56   8.023  -2.564  -2.243
  230   1HD1  LEU  56          2HD1      LEU  56   8.957  -0.009  -3.541
  231   2HD1  LEU  56          1HD1      LEU  56   7.643  -0.119  -2.369
  232   3HD1  LEU  56          3HD1      LEU  56   9.287  -0.550  -1.894
  233   1HD2  LEU  56          2HD2      LEU  56   7.442  -1.549  -5.023
  234   2HD2  LEU  56          1HD2      LEU  56   6.957  -3.107  -4.355
  235   3HD2  LEU  56          3HD2      LEU  56   6.287  -1.617  -3.692
  236    H    CYS  57           H        CYS  57  10.016  -5.638  -3.150
  237    HA   CYS  57           HA       CYS  57   8.105  -6.031  -1.073
  238   1HB   CYS  57          2HB       CYS  57   8.159  -8.398  -1.788
  239   2HB   CYS  57          1HB       CYS  57   7.953  -7.294  -3.143
  240    HG   CYS  57           HG       CYS  57  10.936  -7.449  -3.475
  241    H    GLN  58           H        GLN  58  11.509  -6.903  -1.489
  242    HA   GLN  58           HA       GLN  58  11.800  -8.555   0.738
  243   1HB   GLN  58          2HB       GLN  58  13.511  -8.325  -1.006
  244   2HB   GLN  58          1HB       GLN  58  13.833  -6.678  -0.479
  245   1HG   GLN  58          2HG       GLN  58  14.572  -7.529   1.697
  246   2HG   GLN  58          1HG       GLN  58  14.276  -9.175   1.143
  247   1HE2  GLN  58          1HE2      GLN  58  15.223  -8.605  -1.559
  248   2HE2  GLN  58          2HE2      GLN  58  16.945  -8.511  -1.453
  249    H    ARG  59           H        ARG  59  12.230  -5.036   0.469
  250    HA   ARG  59           HA       ARG  59  13.019  -4.600   3.132
  251   1HB   ARG  59          2HB       ARG  59  13.195  -2.990   1.172
  252   2HB   ARG  59          1HB       ARG  59  11.493  -2.633   1.428
  253   1HG   ARG  59          2HG       ARG  59  12.784  -0.943   2.504
  254   2HG   ARG  59          1HG       ARG  59  12.048  -1.949   3.753
  255   1HD   ARG  59          2HD       ARG  59  14.180  -3.215   3.911
  256   2HD   ARG  59          1HD       ARG  59  14.895  -2.082   2.766
  257    HE   ARG  59           HE       ARG  59  13.732  -0.873   5.121
  258   1HH1  ARG  59          1HH1      ARG  59  16.601  -2.186   3.639
  259   2HH1  ARG  59          2HH1      ARG  59  17.686  -1.353   4.699
  260   1HH2  ARG  59          1HH2      ARG  59  15.156   0.228   6.522
  261   2HH2  ARG  59          2HH2      ARG  59  16.866   0.022   6.335
  262    H    LEU  60           H        LEU  60   9.831  -4.144   1.605
  263    HA   LEU  60           HA       LEU  60   8.373  -3.450   3.845
  264   1HB   LEU  60          2HB       LEU  60   7.518  -5.075   1.450
  265   2HB   LEU  60          1HB       LEU  60   6.408  -4.403   2.629
  266    HG   LEU  60           HG       LEU  60   8.276  -2.739   0.940
  267   1HD1  LEU  60          1HD1      LEU  60   5.343  -3.325   0.552
  268   2HD1  LEU  60          3HD1      LEU  60   6.294  -2.162  -0.373
  269   3HD1  LEU  60          2HD1      LEU  60   6.662  -3.884  -0.478
  270   1HD2  LEU  60          3HD2      LEU  60   7.598  -1.704   3.050
  271   2HD2  LEU  60          2HD2      LEU  60   6.870  -0.884   1.669
  272   3HD2  LEU  60          1HD2      LEU  60   5.905  -1.989   2.647
  273    H    ARG  61           H        ARG  61   9.318  -6.656   2.733
  274    HA   ARG  61           HA       ARG  61   7.698  -8.169   4.453
  275   1HB   ARG  61          2HB       ARG  61   8.893  -9.105   2.505
  276   2HB   ARG  61          1HB       ARG  61  10.420  -8.878   3.346
  277   1HG   ARG  61          2HG       ARG  61   9.750 -10.460   5.054
  278   2HG   ARG  61          1HG       ARG  61   8.173 -10.649   4.285
  279   1HD   ARG  61          2HD       ARG  61   9.683 -12.495   3.725
  280   2HD   ARG  61          1HD       ARG  61   9.229 -11.565   2.297
  281    HE   ARG  61           HE       ARG  61  11.656 -10.598   3.389
  282   1HH1  ARG  61          1HH1      ARG  61  10.333 -13.250   1.559
  283   2HH1  ARG  61          2HH1      ARG  61  11.817 -13.588   0.731
  284   1HH2  ARG  61          1HH2      ARG  61  13.613 -11.033   2.304
  285   2HH2  ARG  61          2HH2      ARG  61  13.682 -12.329   1.158
  286    H    GLU  62           H        GLU  62  11.071  -7.082   4.841
  287    HA   GLU  62           HA       GLU  62  11.611  -8.229   7.298
  288   1HB   GLU  62          2HB       GLU  62  12.527  -5.538   6.267
  289   2HB   GLU  62          1HB       GLU  62  13.246  -6.394   7.623
  290   1HG   GLU  62          2HG       GLU  62  13.881  -8.224   6.136
  291   2HG   GLU  62          1HG       GLU  62  13.162  -7.362   4.776
  292    H    ASN  63           H        ASN  63  10.281  -4.988   6.678
  293    HA   ASN  63           HA       ASN  63   9.509  -4.798   9.491
  294   1HB   ASN  63          2HB       ASN  63   9.508  -2.746   7.269
  295   2HB   ASN  63          1HB       ASN  63   8.933  -2.429   8.904
  296   1HD2  ASN  63          1HD2      ASN  63  11.121  -1.201   7.429
  297   2HD2  ASN  63          2HD2      ASN  63  12.541  -1.446   8.382
  298    H    ASP  64           H        ASP  64   7.787  -6.217   9.560
  299    HA   ASP  64           HA       ASP  64   5.713  -6.602   7.850
  300   1HB   ASP  64          2HB       ASP  64   5.468  -6.426  10.860
  301   2HB   ASP  64          1HB       ASP  64   4.362  -7.270   9.778
  302    H    ILE  65           H        ILE  65   4.517  -5.152   6.806
  303    HA   ILE  65           HA       ILE  65   3.579  -2.767   8.253
  304    HB   ILE  65           HB       ILE  65   3.805  -3.260   5.280
  305   1HG1  ILE  65          2HG1      ILE  65   5.957  -2.811   6.337
  306   2HG1  ILE  65          1HG1      ILE  65   5.466  -1.437   5.357
  307   1HG2  ILE  65          3HG2      ILE  65   2.772  -0.847   6.758
  308   2HG2  ILE  65          2HG2      ILE  65   3.116  -0.904   5.030
  309   3HG2  ILE  65          1HG2      ILE  65   1.847  -1.922   5.710
  310   1HD1  ILE  65          2HD1      ILE  65   4.677  -0.316   7.419
  311   2HD1  ILE  65          1HD1      ILE  65   5.331  -1.662   8.352
  312   3HD1  ILE  65          3HD1      ILE  65   6.412  -0.641   7.403
  313    H    VAL  66           H        VAL  66   1.434  -2.273   8.364
  314    HA   VAL  66           HA       VAL  66  -0.460  -4.186   7.169
  315    HB   VAL  66           HB       VAL  66  -0.199  -4.629   9.585
  316   1HG1  VAL  66          3HG1      VAL  66  -1.228  -1.816   9.919
  317   2HG1  VAL  66          2HG1      VAL  66  -1.018  -2.991  11.218
  318   3HG1  VAL  66          1HG1      VAL  66   0.386  -2.395  10.332
  319   1HG2  VAL  66          1HG2      VAL  66  -2.342  -5.048   8.431
  320   2HG2  VAL  66          3HG2      VAL  66  -2.545  -4.677  10.143
  321   3HG2  VAL  66          2HG2      VAL  66  -2.893  -3.448   8.928
  322    H    GLY  67           H        GLY  67  -2.669  -3.309   6.953
  323   1HA   GLY  67          1HA       GLY  67  -4.123  -1.710   6.180
  324   2HA   GLY  67          2HA       GLY  67  -2.697  -0.860   5.604
  325    H    ASP  68           H        ASP  68  -3.324  -1.599   8.978
  326    HA   ASP  68           HA       ASP  68  -4.390   0.997   9.584
  327   1HB   ASP  68          2HB       ASP  68  -5.003  -1.032  10.872
  328   2HB   ASP  68          1HB       ASP  68  -3.346  -1.136  11.459
  329    H    LEU  69           H        LEU  69  -1.294  -0.164   9.021
  330    HA   LEU  69           HA       LEU  69  -0.012   1.823  10.755
  331   1HB   LEU  69          2HB       LEU  69   0.822  -0.496  10.814
  332   2HB   LEU  69          1HB       LEU  69   1.194  -0.399   9.106
  333    HG   LEU  69           HG       LEU  69   2.824   1.417   9.614
  334   1HD1  LEU  69          3HD1      LEU  69   2.220   0.667  12.470
  335   2HD1  LEU  69          2HD1      LEU  69   3.547   1.702  11.941
  336   3HD1  LEU  69          1HD1      LEU  69   1.878   2.217  11.700
  337   1HD2  LEU  69          3HD2      LEU  69   3.538  -0.902   9.335
  338   2HD2  LEU  69          2HD2      LEU  69   4.529  -0.064  10.529
  339   3HD2  LEU  69          1HD2      LEU  69   3.279  -1.191  11.056
  340    H    LEU  70           H        LEU  70  -1.071   1.428   7.588
  341    HA   LEU  70           HA       LEU  70   0.963   2.783   6.167
  342   1HB   LEU  70          2HB       LEU  70  -1.963   2.457   5.511
  343   2HB   LEU  70          1HB       LEU  70  -0.747   3.059   4.400
  344    HG   LEU  70           HG       LEU  70  -0.752   0.295   5.616
  345   1HD1  LEU  70          2HD1      LEU  70  -1.498   1.213   2.843
  346   2HD1  LEU  70          1HD1      LEU  70  -1.371  -0.463   3.375
  347   3HD1  LEU  70          3HD1      LEU  70  -2.606   0.590   4.066
  348   1HD2  LEU  70          2HD2      LEU  70   0.978   1.553   3.489
  349   2HD2  LEU  70          1HD2      LEU  70   1.487   1.061   5.104
  350   3HD2  LEU  70          3HD2      LEU  70   0.986  -0.154   3.929
  351    HA   PRO  71           HA       PRO  71  -1.667   6.754   6.679
  352   1HB   PRO  71          2HB       PRO  71  -3.723   6.826   8.400
  353   2HB   PRO  71          1HB       PRO  71  -3.907   6.183   6.763
  354   1HG   PRO  71          2HG       PRO  71  -3.546   4.712   9.344
  355   2HG   PRO  71          1HG       PRO  71  -4.650   4.362   8.002
  356   1HD   PRO  71          2HD       PRO  71  -2.259   3.081   8.381
  357   2HD   PRO  71          1HD       PRO  71  -3.032   3.279   6.796
  358    H    GLU  72           H        GLU  72  -0.631   4.820   9.293
  359    HA   GLU  72           HA       GLU  72  -0.521   6.943  11.242
  360   1HB   GLU  72          2HB       GLU  72   0.619   4.147  11.241
  361   2HB   GLU  72          1HB       GLU  72   0.744   5.260  12.597
  362   1HG   GLU  72          2HG       GLU  72  -1.810   4.199  11.410
  363   2HG   GLU  72          1HG       GLU  72  -1.063   3.668  12.915
  364    H    LEU  73           H        LEU  73   1.177   6.489   8.525
  365    HA   LEU  73           HA       LEU  73   3.497   7.887   9.619
  366   1HB   LEU  73          2HB       LEU  73   4.988   6.491   8.132
  367   2HB   LEU  73          1HB       LEU  73   4.368   5.710   9.572
  368    HG   LEU  73           HG       LEU  73   2.529   4.780   7.990
  369   1HD1  LEU  73          2HD1      LEU  73   4.675   5.547   6.020
  370   2HD1  LEU  73          1HD1      LEU  73   3.354   4.426   5.687
  371   3HD1  LEU  73          3HD1      LEU  73   3.006   6.116   6.047
  372   1HD2  LEU  73          1HD2      LEU  73   4.248   3.442   9.106
  373   2HD2  LEU  73          3HD2      LEU  73   3.929   2.860   7.471
  374   3HD2  LEU  73          2HD2      LEU  73   5.377   3.811   7.802
  375    H    CYS  74           H        CYS  74   4.748   9.035   8.012
  376    HA   CYS  74           HA       CYS  74   3.053   9.955   5.814
  377   1HB   CYS  74          2HB       CYS  74   5.594  11.142   6.953
  378   2HB   CYS  74          1HB       CYS  74   4.594  11.873   5.703
  379    HG   CYS  74           HG       CYS  74   2.763  12.893   7.244
  380    H    LEU  75           H        LEU  75   4.923  10.986   4.084
  381    HA   LEU  75           HA       LEU  75   5.667   8.689   2.604
  382   1HB   LEU  75          2HB       LEU  75   6.391  11.596   2.266
  383   2HB   LEU  75          1HB       LEU  75   6.849  10.346   1.125
  384    HG   LEU  75           HG       LEU  75   4.310   9.855   0.981
  385   1HD1  LEU  75          2HD1      LEU  75   4.269  12.655   2.095
  386   2HD1  LEU  75          1HD1      LEU  75   2.893  11.806   1.390
  387   3HD1  LEU  75          3HD1      LEU  75   3.627  11.211   2.878
  388   1HD2  LEU  75          3HD2      LEU  75   5.667  10.793  -0.829
  389   2HD2  LEU  75          2HD2      LEU  75   4.055  11.510  -0.782
  390   3HD2  LEU  75          1HD2      LEU  75   5.440  12.408  -0.158
  391    H    GLN  76           H        GLN  76   7.105  10.122   5.240
  392    HA   GLN  76           HA       GLN  76   9.845   9.982   4.638
  393   1HB   GLN  76          2HB       GLN  76   8.971  11.152   6.605
  394   2HB   GLN  76          1HB       GLN  76   8.446   9.622   7.294
  395   1HG   GLN  76          2HG       GLN  76  10.487  10.349   8.343
  396   2HG   GLN  76          1HG       GLN  76  10.781   8.884   7.407
  397   1HE2  GLN  76          1HE2      GLN  76  12.969   9.280   7.218
  398   2HE2  GLN  76          2HE2      GLN  76  13.606  10.530   6.210
  399    H    ASP  77           H        ASP  77   7.948   7.684   6.604
  400    HA   ASP  77           HA       ASP  77   9.910   5.666   6.587
  401   1HB   ASP  77          2HB       ASP  77   6.924   5.433   7.019
  402   2HB   ASP  77          1HB       ASP  77   8.107   4.189   7.411
  403    H    CYS  78           H        CYS  78   7.483   6.564   4.299
  404    HA   CYS  78           HA       CYS  78   7.294   4.102   2.903
  405   1HB   CYS  78          2HB       CYS  78   6.805   6.913   1.891
  406   2HB   CYS  78          1HB       CYS  78   6.268   5.430   1.110
  407    HG   CYS  78           HG       CYS  78   4.833   4.832   3.688
  408    H    GLN  79           H        GLN  79   9.182   7.060   2.309
  409    HA   GLN  79           HA       GLN  79  10.490   6.141  -0.003
  410   1HB   GLN  79          2HB       GLN  79  10.384   8.523   0.768
  411   2HB   GLN  79          1HB       GLN  79  11.555   8.123   2.018
  412   1HG   GLN  79          2HG       GLN  79  13.218   7.601   0.367
  413   2HG   GLN  79          1HG       GLN  79  12.047   7.812  -0.934
  414   1HE2  GLN  79          1HE2      GLN  79  13.241   9.407  -1.938
  415   2HE2  GLN  79          2HE2      GLN  79  13.402  10.999  -1.288
  416    H    ASP  80           H        ASP  80  11.171   5.761   3.413
  417    HA   ASP  80           HA       ASP  80  13.795   4.707   3.121
  418   1HB   ASP  80          2HB       ASP  80  12.987   5.622   5.254
  419   2HB   ASP  80          1HB       ASP  80  11.789   4.333   5.360
  420    H    LEU  81           H        LEU  81  10.577   3.337   3.137
  421    HA   LEU  81           HA       LEU  81  11.374   0.609   3.260
  422   1HB   LEU  81          2HB       LEU  81   8.897   2.133   2.924
  423   2HB   LEU  81          1HB       LEU  81   8.904   0.621   2.042
  424    HG   LEU  81           HG       LEU  81   9.014  -0.667   3.987
  425   1HD1  LEU  81          2HD1      LEU  81   9.918   1.816   5.438
  426   2HD1  LEU  81          1HD1      LEU  81   9.522   0.286   6.222
  427   3HD1  LEU  81          3HD1      LEU  81  10.874   0.374   5.093
  428   1HD2  LEU  81          2HD2      LEU  81   6.854   0.470   3.724
  429   2HD2  LEU  81          1HD2      LEU  81   7.231   0.144   5.417
  430   3HD2  LEU  81          3HD2      LEU  81   7.426   1.773   4.767
  431    H    CYS  82           H        CYS  82  11.526   2.933   0.825
  432    HA   CYS  82           HA       CYS  82  11.518   0.917  -1.309
  433   1HB   CYS  82          2HB       CYS  82  11.474   3.939  -1.483
  434   2HB   CYS  82          1HB       CYS  82  11.431   2.839  -2.858
  435    HG   CYS  82           HG       CYS  82   8.875   3.975  -2.354
  436    H    ASP  83           H        ASP  83  13.156   1.856  -3.166
  437    HA   ASP  83           HA       ASP  83  15.736   1.262  -2.168
  438   1HB   ASP  83          2HB       ASP  83  14.901   2.441  -4.826
  439   2HB   ASP  83          1HB       ASP  83  16.511   1.829  -4.457
  440    H    GLY  84           H        GLY  84  13.947   4.151  -2.291
  441   1HA   GLY  84          1HA       GLY  84  16.408   5.735  -1.865
  442   2HA   GLY  84          2HA       GLY  84  14.979   5.929  -0.860
  443    H    ASP  85           H        ASP  85  13.823   5.322  -3.851
  444    HA   ASP  85           HA       ASP  85  14.162   7.942  -5.015
  445   1HB   ASP  85          2HB       ASP  85  14.017   5.935  -6.437
  446   2HB   ASP  85          1HB       ASP  85  12.381   5.643  -5.857
  447    H    LEU  86           H        LEU  86  12.821   9.632  -4.862
  448    HA   LEU  86           HA       LEU  86  10.797   9.698  -2.897
  449   1HB   LEU  86          2HB       LEU  86  12.102  11.666  -3.586
  450   2HB   LEU  86          1HB       LEU  86  11.325  11.630  -5.158
  451    HG   LEU  86           HG       LEU  86   9.132  12.008  -3.998
  452   1HD1  LEU  86          2HD1      LEU  86   9.786  11.203  -1.783
  453   2HD1  LEU  86          1HD1      LEU  86  10.904  12.557  -1.622
  454   3HD1  LEU  86          3HD1      LEU  86   9.169  12.855  -1.716
  455   1HD2  LEU  86          2HD2      LEU  86  11.285  14.093  -3.652
  456   2HD2  LEU  86          1HD2      LEU  86  10.290  13.835  -5.085
  457   3HD2  LEU  86          3HD2      LEU  86   9.549  14.402  -3.589
  458    H    ASN  87           H        ASN  87  10.583   9.813  -6.456
  459    HA   ASN  87           HA       ASN  87   7.838   9.948  -6.719
  460   1HB   ASN  87          2HB       ASN  87   9.787   8.462  -8.492
  461   2HB   ASN  87          1HB       ASN  87   8.147   8.921  -8.944
  462   1HD2  ASN  87          1HD2      ASN  87  10.699   9.665 -10.139
  463   2HD2  ASN  87          2HD2      ASN  87  10.760  11.390 -10.101
  464    H    LYS  88           H        LYS  88   9.815   7.246  -5.804
  465    HA   LYS  88           HA       LYS  88   7.971   5.173  -6.329
  466   1HB   LYS  88          2HB       LYS  88  10.566   5.474  -5.174
  467   2HB   LYS  88          1HB       LYS  88   9.575   4.527  -4.084
  468   1HG   LYS  88          2HG       LYS  88   9.919   3.903  -7.002
  469   2HG   LYS  88          1HG       LYS  88  10.890   3.188  -5.713
  470   1HD   LYS  88          2HD       LYS  88   8.839   2.289  -4.695
  471   2HD   LYS  88          1HD       LYS  88   7.895   2.973  -6.020
  472   1HE   LYS  88          2HE       LYS  88  10.048   0.874  -6.252
  473   2HE   LYS  88          1HE       LYS  88   8.311   0.612  -6.401
  474   1HZ   LYS  88          2HZ       LYS  88   8.333   2.115  -8.330
  475   2HZ   LYS  88          1HZ       LYS  88  10.017   2.227  -8.214
  476   3HZ   LYS  88          3HZ       LYS  88   9.290   0.741  -8.569
  477    H    ALA  89           H        ALA  89   8.804   6.907  -3.340
  478    HA   ALA  89           HA       ALA  89   6.846   5.693  -1.725
  479   1HB   ALA  89          1HB       ALA  89   8.777   6.842  -0.791
  480   2HB   ALA  89          3HB       ALA  89   8.172   8.383  -1.399
  481   3HB   ALA  89          2HB       ALA  89   7.276   7.513  -0.150
  482    H    ILE  90           H        ILE  90   6.703   8.355  -3.970
  483    HA   ILE  90           HA       ILE  90   4.357   9.593  -3.035
  484    HB   ILE  90           HB       ILE  90   5.441   9.441  -5.852
  485   1HG1  ILE  90          2HG1      ILE  90   5.640  11.614  -3.753
  486   2HG1  ILE  90          1HG1      ILE  90   6.936  10.509  -4.191
  487   1HG2  ILE  90          2HG2      ILE  90   3.314  11.242  -4.695
  488   2HG2  ILE  90          1HG2      ILE  90   4.018  11.395  -6.303
  489   3HG2  ILE  90          3HG2      ILE  90   3.069   9.969  -5.889
  490   1HD1  ILE  90          1HD1      ILE  90   6.893  11.428  -6.478
  491   2HD1  ILE  90          3HD1      ILE  90   5.673  12.589  -5.957
  492   3HD1  ILE  90          2HD1      ILE  90   7.288  12.631  -5.252
  493    H    LYS  91           H        LYS  91   4.759   7.245  -5.707
  494    HA   LYS  91           HA       LYS  91   2.052   6.845  -6.227
  495   1HB   LYS  91          2HB       LYS  91   4.513   5.196  -6.649
  496   2HB   LYS  91          1HB       LYS  91   2.942   4.454  -6.915
  497   1HG   LYS  91          2HG       LYS  91   3.801   5.277  -9.000
  498   2HG   LYS  91          1HG       LYS  91   2.403   6.244  -8.527
  499   1HD   LYS  91          2HD       LYS  91   3.871   8.002  -7.709
  500   2HD   LYS  91          1HD       LYS  91   5.287   7.025  -8.106
  501   1HE   LYS  91          2HE       LYS  91   4.832   8.748  -9.803
  502   2HE   LYS  91          1HE       LYS  91   4.732   7.114 -10.459
  503   1HZ   LYS  91          1HZ       LYS  91   2.324   7.234 -10.287
  504   2HZ   LYS  91          3HZ       LYS  91   2.422   8.802  -9.658
  505   3HZ   LYS  91          2HZ       LYS  91   2.917   8.495 -11.246
  506    H    PHE  92           H        PHE  92   4.144   5.483  -3.783
  507    HA   PHE  92           HA       PHE  92   2.503   3.383  -2.902
  508   1HB   PHE  92          2HB       PHE  92   4.912   3.752  -2.299
  509   2HB   PHE  92          1HB       PHE  92   4.394   5.042  -1.224
  510    HD1  PHE  92           HD1      PHE  92   4.604   4.416   0.959
  511    HD2  PHE  92           HD2      PHE  92   3.176   1.565  -1.860
  512    HE1  PHE  92           HE1      PHE  92   4.302   2.780   2.773
  513    HE2  PHE  92           HE2      PHE  92   2.870  -0.076  -0.052
  514    HZ   PHE  92           HZ       PHE  92   3.434   0.530   2.268
  515    H    LYS  93           H        LYS  93   2.946   6.591  -1.414
  516    HA   LYS  93           HA       LYS  93   0.875   6.403   0.436
  517   1HB   LYS  93          2HB       LYS  93   2.595   8.116   0.573
  518   2HB   LYS  93          1HB       LYS  93   2.025   8.848  -0.920
  519   1HG   LYS  93          2HG       LYS  93   1.277  10.149   0.955
  520   2HG   LYS  93          1HG       LYS  93  -0.113   9.377   0.189
  521   1HD   LYS  93          2HD       LYS  93  -0.111   7.647   1.911
  522   2HD   LYS  93          1HD       LYS  93   1.304   8.385   2.664
  523   1HE   LYS  93          2HE       LYS  93  -0.769   8.989   3.825
  524   2HE   LYS  93          1HE       LYS  93   0.030  10.400   3.132
  525   1HZ   LYS  93          2HZ       LYS  93  -1.515  10.299   1.267
  526   2HZ   LYS  93          1HZ       LYS  93  -2.289   8.963   1.957
  527   3HZ   LYS  93          3HZ       LYS  93  -2.342  10.466   2.734
  528    H    ILE  94           H        ILE  94   0.783   7.066  -2.967
  529    HA   ILE  94           HA       ILE  94  -1.720   8.370  -3.094
  530    HB   ILE  94           HB       ILE  94  -0.099   6.848  -5.110
  531   1HG1  ILE  94          2HG1      ILE  94  -1.003   9.732  -4.985
  532   2HG1  ILE  94          1HG1      ILE  94   0.557   9.150  -4.415
  533   1HG2  ILE  94          3HG2      ILE  94  -2.814   8.076  -5.563
  534   2HG2  ILE  94          2HG2      ILE  94  -1.737   7.488  -6.829
  535   3HG2  ILE  94          1HG2      ILE  94  -2.412   6.361  -5.650
  536   1HD1  ILE  94          1HD1      ILE  94   1.109   8.434  -6.687
  537   2HD1  ILE  94          3HD1      ILE  94  -0.448   9.042  -7.248
  538   3HD1  ILE  94          2HD1      ILE  94   0.754  10.160  -6.605
  539    H    LEU  95           H        LEU  95  -1.027   5.043  -4.200
  540    HA   LEU  95           HA       LEU  95  -3.651   4.198  -4.373
  541   1HB   LEU  95          2HB       LEU  95  -1.198   2.583  -3.681
  542   2HB   LEU  95          1HB       LEU  95  -2.748   1.887  -4.113
  543    HG   LEU  95           HG       LEU  95  -1.008   3.586  -5.904
  544   1HD1  LEU  95          3HD1      LEU  95  -0.229   1.255  -5.452
  545   2HD1  LEU  95          2HD1      LEU  95  -1.742   0.676  -6.151
  546   3HD1  LEU  95          1HD1      LEU  95  -0.605   1.588  -7.142
  547   1HD2  LEU  95          2HD2      LEU  95  -3.647   2.234  -6.460
  548   2HD2  LEU  95          1HD2      LEU  95  -3.373   3.973  -6.347
  549   3HD2  LEU  95          3HD2      LEU  95  -2.634   3.047  -7.654
  550    H    ILE  96           H        ILE  96  -1.659   4.630  -1.580
  551    HA   ILE  96           HA       ILE  96  -3.275   3.053   0.171
  552    HB   ILE  96           HB       ILE  96  -1.185   5.149   0.766
  553   1HG1  ILE  96          2HG1      ILE  96  -0.991   2.162   1.134
  554   2HG1  ILE  96          1HG1      ILE  96  -0.551   2.945  -0.381
  555   1HG2  ILE  96          3HG2      ILE  96  -2.560   3.240   2.655
  556   2HG2  ILE  96          2HG2      ILE  96  -1.198   4.284   3.062
  557   3HG2  ILE  96          1HG2      ILE  96  -2.751   4.993   2.622
  558   1HD1  ILE  96          2HD1      ILE  96   1.067   4.337   0.906
  559   2HD1  ILE  96          1HD1      ILE  96   0.712   3.339   2.317
  560   3HD1  ILE  96          3HD1      ILE  96   1.430   2.612   0.878
  561    H    ASN  97           H        ASN  97  -3.118   6.432  -0.758
  562    HA   ASN  97           HA       ASN  97  -4.771   7.525   1.211
  563   1HB   ASN  97          2HB       ASN  97  -3.481   8.924  -0.316
  564   2HB   ASN  97          1HB       ASN  97  -4.436   8.352  -1.681
  565   1HD2  ASN  97          1HD2      ASN  97  -5.141  10.387  -2.235
  566   2HD2  ASN  97          2HD2      ASN  97  -6.285  11.269  -1.289
  567    H    LYS  98           H        LYS  98  -5.601   6.255  -2.012
  568    HA   LYS  98           HA       LYS  98  -8.396   6.639  -1.702
  569   1HB   LYS  98          2HB       LYS  98  -6.699   5.061  -3.603
  570   2HB   LYS  98          1HB       LYS  98  -8.444   4.843  -3.598
  571   1HG   LYS  98          2HG       LYS  98  -8.056   6.433  -5.255
  572   2HG   LYS  98          1HG       LYS  98  -8.590   7.375  -3.863
  573   1HD   LYS  98          2HD       LYS  98  -6.729   8.521  -4.789
  574   2HD   LYS  98          1HD       LYS  98  -6.157   7.736  -3.316
  575   1HE   LYS  98          2HE       LYS  98  -4.550   7.466  -5.127
  576   2HE   LYS  98          1HE       LYS  98  -5.226   5.911  -4.648
  577   1HZ   LYS  98          1HZ       LYS  98  -6.083   7.512  -6.999
  578   2HZ   LYS  98          3HZ       LYS  98  -5.108   6.130  -7.051
  579   3HZ   LYS  98          2HZ       LYS  98  -6.717   6.012  -6.543
  580    H    MET  99           H        MET  99  -6.226   3.969  -0.980
  581    HA   MET  99           HA       MET  99  -8.282   2.069  -0.444
  582   1HB   MET  99          2HB       MET  99  -6.059   1.300  -1.002
  583   2HB   MET  99          1HB       MET  99  -5.373   2.154   0.372
  584   1HG   MET  99          2HG       MET  99  -5.577  -0.278   0.723
  585   2HG   MET  99          1HG       MET  99  -6.455   0.679   1.913
  586   1HE   MET  99          2HE       MET  99  -7.217  -0.348  -1.775
  587   2HE   MET  99          1HE       MET  99  -6.762  -1.897  -1.067
  588   3HE   MET  99          3HE       MET  99  -8.428  -1.615  -1.571
  589    H    ARG 100           H        ARG 100  -6.837   4.637   1.353
  590    HA   ARG 100           HA       ARG 100  -7.500   3.683   3.961
  591   1HB   ARG 100          2HB       ARG 100  -5.744   5.383   3.551
  592   2HB   ARG 100          1HB       ARG 100  -6.985   6.517   3.035
  593   1HG   ARG 100          2HG       ARG 100  -8.015   6.191   5.339
  594   2HG   ARG 100          1HG       ARG 100  -6.495   5.411   5.779
  595   1HD   ARG 100          2HD       ARG 100  -6.839   8.227   4.754
  596   2HD   ARG 100          1HD       ARG 100  -6.456   7.754   6.408
  597    HE   ARG 100           HE       ARG 100  -4.524   6.701   4.649
  598   1HH1  ARG 100          1HH1      ARG 100  -5.575   9.727   6.022
  599   2HH1  ARG 100          2HH1      ARG 100  -4.009  10.460   5.929
  600   1HH2  ARG 100          1HH2      ARG 100  -2.459   7.659   4.524
  601   2HH2  ARG 100          2HH2      ARG 100  -2.237   9.285   5.080
  602    H    ASP 101           H        ASP 101  -8.929   6.169   1.848
  603    HA   ASP 101           HA       ASP 101 -11.162   6.680   3.498
  604   1HB   ASP 101          2HB       ASP 101 -10.806   7.112   0.525
  605   2HB   ASP 101          1HB       ASP 101 -12.120   7.778   1.488
  606    H    SER 102           H        SER 102 -10.809   4.688   0.570
  607    HA   SER 102           HA       SER 102 -12.073   3.013  -0.305
  608   1HB   SER 102          2HB       SER 102 -11.447   1.855   1.754
  609   2HB   SER 102          1HB       SER 102 -12.799   2.602   2.608
  610    HG   SER 102           HG       SER 102 -12.800   0.351   1.231
  611    H    LYS 103           H        LYS 103 -13.500   4.253  -1.513
  612    HA   LYS 103           HA       LYS 103 -16.243   4.172  -0.621
  613   1HB   LYS 103          2HB       LYS 103 -15.046   6.388   0.165
  614   2HB   LYS 103          1HB       LYS 103 -15.310   6.871  -1.505
  615   1HG   LYS 103          2HG       LYS 103 -17.690   6.571  -1.262
  616   2HG   LYS 103          1HG       LYS 103 -17.474   5.949   0.374
  617   1HD   LYS 103          2HD       LYS 103 -16.763   8.730  -0.558
  618   2HD   LYS 103          1HD       LYS 103 -18.192   8.295   0.379
  619   1HE   LYS 103          2HE       LYS 103 -15.311   8.074   1.240
  620   2HE   LYS 103          1HE       LYS 103 -16.524   9.192   1.863
  621   1HZ   LYS 103          1HZ       LYS 103 -16.609   6.233   2.125
  622   2HZ   LYS 103          3HZ       LYS 103 -16.188   7.319   3.353
  623   3HZ   LYS 103          2HZ       LYS 103 -17.762   7.311   2.734
  624    H    LEU 104           H        LEU 104 -17.137   3.215  -2.323
  625    HA   LEU 104           HA       LEU 104 -16.226   3.885  -5.019
  626   1HB   LEU 104          2HB       LEU 104 -18.046   1.705  -3.997
  627   2HB   LEU 104          1HB       LEU 104 -17.664   1.950  -5.691
  628    HG   LEU 104           HG       LEU 104 -15.589   1.356  -3.581
  629   1HD1  LEU 104          1HD1      LEU 104 -16.938  -0.521  -5.518
  630   2HD1  LEU 104          3HD1      LEU 104 -15.567  -0.919  -4.482
  631   3HD1  LEU 104          2HD1      LEU 104 -17.127  -0.518  -3.764
  632   1HD2  LEU 104          2HD2      LEU 104 -14.743   2.507  -5.561
  633   2HD2  LEU 104          1HD2      LEU 104 -14.172   0.840  -5.501
  634   3HD2  LEU 104          3HD2      LEU 104 -15.483   1.284  -6.596
  635    H    GLU 105           H        GLU 105 -19.420   3.195  -3.592
  636    HA   GLU 105           HA       GLU 105 -20.520   5.708  -4.345
  637   1HB   GLU 105          2HB       GLU 105 -20.386   4.608  -6.574
  638   2HB   GLU 105          1HB       GLU 105 -21.422   3.322  -5.970
  639   1HG   GLU 105          2HG       GLU 105 -23.207   4.953  -5.577
  640   2HG   GLU 105          1HG       GLU 105 -22.168   6.230  -6.209
  641    H    TRP 106           H        TRP 106 -20.867   5.301  -2.018
  642    HA   TRP 106           HA       TRP 106 -23.421   3.906  -1.609
  643   1HB   TRP 106          2HB       TRP 106 -21.098   3.853   0.329
  644   2HB   TRP 106          1HB       TRP 106 -22.657   3.067   0.548
  645    HD1  TRP 106           HD1      TRP 106 -23.116   1.419  -1.938
  646    HE1  TRP 106           HE1      TRP 106 -21.525  -0.465  -2.676
  647    HE3  TRP 106           HE3      TRP 106 -18.896   2.900   0.542
  648    HZ2  TRP 106           HZ2      TRP 106 -18.839  -1.223  -2.263
  649    HZ3  TRP 106           HZ3      TRP 106 -16.859   1.539   0.318
  650    HH2  TRP 106           HH2      TRP 106 -16.833  -0.481  -1.056
  651    H    LYS 107           H        LYS 107 -22.210   6.779  -1.817
  652    HA   LYS 107           HA       LYS 107 -23.581   7.821   0.573
  653   1HB   LYS 107          2HB       LYS 107 -21.129   8.227   0.567
  654   2HB   LYS 107          1HB       LYS 107 -21.306   9.122  -0.935
  655   1HG   LYS 107          2HG       LYS 107 -21.144  10.657   0.905
  656   2HG   LYS 107          1HG       LYS 107 -22.770  10.729   0.227
  657   1HD   LYS 107          2HD       LYS 107 -22.939  10.741   2.624
  658   2HD   LYS 107          1HD       LYS 107 -23.526   9.187   2.029
  659   1HE   LYS 107          2HE       LYS 107 -22.113   8.901   3.998
  660   2HE   LYS 107          1HE       LYS 107 -21.380   8.159   2.576
  661   1HZ   LYS 107          3HZ       LYS 107 -19.962  10.106   2.342
  662   2HZ   LYS 107          2HZ       LYS 107 -20.660  10.804   3.717
  663   3HZ   LYS 107          1HZ       LYS 107 -19.751   9.385   3.860
  664    H    ASP 108           H        ASP 108 -25.557   8.359  -0.138
  665    HA   ASP 108           HA       ASP 108 -25.712  10.265  -2.367
  666   1HB   ASP 108          2HB       ASP 108 -27.911   9.172  -2.991
  667   2HB   ASP 108          1HB       ASP 108 -26.467   8.228  -3.342

  No H/Q in entry =         667
  Start of MODEL   13
    1    H1   GLY  24          1H        GLY  24 -11.980 -19.927  -8.698
    2    H2   GLY  24          3H        GLY  24 -10.947 -20.532  -9.895
    3    H3   GLY  24          2H        GLY  24 -10.388 -20.348  -8.309
    4   1HA   GLY  24          2HA       GLY  24 -11.157 -18.169 -10.173
    5   2HA   GLY  24          1HA       GLY  24  -9.523 -18.578  -9.676
    6    H    SER  25           H        SER  25  -9.208 -16.470  -8.893
    7    HA   SER  25           HA       SER  25  -8.971 -14.970  -7.203
    8   1HB   SER  25          2HB       SER  25 -11.030 -13.916  -6.423
    9   2HB   SER  25          1HB       SER  25 -11.127 -14.234  -8.154
   10    HG   SER  25           HG       SER  25 -12.618 -15.731  -7.818
   11    H    HIS  26           H        HIS  26  -7.802 -16.007  -5.653
   12    HA   HIS  26           HA       HIS  26  -9.139 -17.717  -3.722
   13   1HB   HIS  26          2HB       HIS  26  -6.876 -18.264  -4.657
   14   2HB   HIS  26          1HB       HIS  26  -6.238 -16.869  -3.796
   15    HD1  HIS  26           HD1      HIS  26  -7.918 -20.192  -3.086
   16    HD2  HIS  26           HD2      HIS  26  -5.537 -17.355  -1.200
   17    HE1  HIS  26           HE1      HIS  26  -7.295 -21.203  -0.870
   18    HE2  HIS  26           HE2      HIS  26  -5.842 -19.475   0.249
   19    H    MET  27           H        MET  27  -8.520 -14.449  -4.091
   20    HA   MET  27           HA       MET  27  -8.057 -13.784  -1.334
   21   1HB   MET  27          2HB       MET  27  -7.203 -12.337  -3.096
   22   2HB   MET  27          1HB       MET  27  -8.831 -12.070  -3.702
   23   1HG   MET  27          2HG       MET  27  -9.425 -10.930  -1.633
   24   2HG   MET  27          1HG       MET  27  -7.802 -11.214  -1.005
   25   1HE   MET  27          1HE       MET  27  -8.773 -10.307  -4.700
   26   2HE   MET  27          3HE       MET  27  -9.929  -9.363  -3.761
   27   3HE   MET  27          2HE       MET  27  -8.661  -8.547  -4.676
   28    H    ASN  28           H        ASN  28  -9.499 -12.992   0.158
   29    HA   ASN  28           HA       ASN  28 -12.300 -12.695  -0.594
   30   1HB   ASN  28          2HB       ASN  28 -13.125 -14.229   1.056
   31   2HB   ASN  28          1HB       ASN  28 -11.950 -15.090   0.067
   32   1HD2  ASN  28          1HD2      ASN  28  -9.678 -13.764   1.375
   33   2HD2  ASN  28          2HD2      ASN  28  -9.527 -14.516   2.921
   34    H    ASN  29           H        ASN  29  -9.743 -11.378   0.780
   35    HA   ASN  29           HA       ASN  29 -11.120 -10.252   3.107
   36   1HB   ASN  29          2HB       ASN  29  -8.880  -9.283   3.653
   37   2HB   ASN  29          1HB       ASN  29  -8.892 -11.042   3.578
   38   1HD2  ASN  29          1HD2      ASN  29  -7.830  -8.112   2.051
   39   2HD2  ASN  29          2HD2      ASN  29  -6.690  -8.844   0.979
   40    H    GLU  30           H        GLU  30 -11.264  -7.986   3.421
   41    HA   GLU  30           HA       GLU  30 -10.921  -6.359   0.991
   42   1HB   GLU  30          2HB       GLU  30 -13.309  -7.024   1.341
   43   2HB   GLU  30          1HB       GLU  30 -13.275  -6.175   2.878
   44   1HG   GLU  30          2HG       GLU  30 -14.297  -4.759   1.259
   45   2HG   GLU  30          1HG       GLU  30 -12.715  -4.092   1.659
   46    H    ASP  31           H        ASP  31 -11.696  -6.134   4.460
   47    HA   ASP  31           HA       ASP  31 -10.861  -3.503   4.847
   48   1HB   ASP  31          2HB       ASP  31 -10.753  -5.765   6.853
   49   2HB   ASP  31          1HB       ASP  31 -10.775  -4.044   7.225
   50    H    PHE  32           H        PHE  32  -8.931  -2.571   4.817
   51    HA   PHE  32           HA       PHE  32  -6.559  -4.067   4.350
   52   1HB   PHE  32          2HB       PHE  32  -5.426  -1.853   4.478
   53   2HB   PHE  32          1HB       PHE  32  -6.799  -1.869   3.375
   54    HD1  PHE  32           HD1      PHE  32  -5.546  -0.655   6.600
   55    HD2  PHE  32           HD2      PHE  32  -8.769  -0.582   3.823
   56    HE1  PHE  32           HE1      PHE  32  -6.511   1.277   7.777
   57    HE2  PHE  32           HE2      PHE  32  -9.740   1.351   4.996
   58    HZ   PHE  32           HZ       PHE  32  -8.611   2.283   6.975
   59    H    SER  33           H        SER  33  -8.183  -3.118   7.185
   60    HA   SER  33           HA       SER  33  -5.957  -2.868   8.932
   61   1HB   SER  33          2HB       SER  33  -8.835  -3.575   9.558
   62   2HB   SER  33          1HB       SER  33  -7.622  -3.079  10.738
   63    HG   SER  33           HG       SER  33  -7.636  -1.057   9.925
   64    H    GLN  34           H        GLN  34  -7.461  -5.552   7.462
   65    HA   GLN  34           HA       GLN  34  -6.287  -7.390   9.436
   66   1HB   GLN  34          2HB       GLN  34  -8.369  -7.953   7.316
   67   2HB   GLN  34          1HB       GLN  34  -7.773  -9.101   8.507
   68   1HG   GLN  34          2HG       GLN  34  -9.319  -6.583   9.081
   69   2HG   GLN  34          1HG       GLN  34  -9.941  -8.231   9.149
   70   1HE2  GLN  34          1HE2      GLN  34  -7.478  -9.276  10.325
   71   2HE2  GLN  34          2HE2      GLN  34  -7.486  -8.770  11.976
   72    H    TRP  35           H        TRP  35  -5.277  -5.912   6.819
   73    HA   TRP  35           HA       TRP  35  -4.417  -8.084   5.156
   74   1HB   TRP  35          2HB       TRP  35  -3.839  -5.137   5.236
   75   2HB   TRP  35          1HB       TRP  35  -2.908  -6.203   4.190
   76    HD1  TRP  35           HD1      TRP  35  -6.457  -7.313   4.412
   77    HE1  TRP  35           HE1      TRP  35  -7.730  -6.629   2.283
   78    HE3  TRP  35           HE3      TRP  35  -3.014  -4.119   2.394
   79    HZ2  TRP  35           HZ2      TRP  35  -7.332  -4.959   0.046
   80    HZ3  TRP  35           HZ3      TRP  35  -3.537  -3.018   0.256
   81    HH2  TRP  35           HH2      TRP  35  -5.652  -3.431  -0.893
   82    H    SER  36           H        SER  36  -2.451  -9.064   5.039
   83    HA   SER  36           HA       SER  36  -0.641  -8.606   7.305
   84   1HB   SER  36          2HB       SER  36  -1.581 -10.895   7.025
   85   2HB   SER  36          1HB       SER  36  -0.799 -10.994   5.447
   86    HG   SER  36           HG       SER  36   0.856 -11.696   6.525
   87    H    VAL  37           H        VAL  37   1.713  -9.508   6.546
   88    HA   VAL  37           HA       VAL  37   2.848  -7.475   5.036
   89    HB   VAL  37           HB       VAL  37   3.937 -10.252   5.524
   90   1HG1  VAL  37          2HG1      VAL  37   5.358  -7.737   4.653
   91   2HG1  VAL  37          1HG1      VAL  37   6.141  -9.252   5.104
   92   3HG1  VAL  37          3HG1      VAL  37   5.103  -9.186   3.681
   93   1HG2  VAL  37          3HG2      VAL  37   3.421  -9.057   7.583
   94   2HG2  VAL  37          2HG2      VAL  37   5.165  -9.198   7.363
   95   3HG2  VAL  37          1HG2      VAL  37   4.356  -7.668   7.025
   96    H    ASP  38           H        ASP  38   1.807 -10.708   4.036
   97    HA   ASP  38           HA       ASP  38   2.815 -10.547   1.393
   98   1HB   ASP  38          2HB       ASP  38   0.589 -12.240   2.543
   99   2HB   ASP  38          1HB       ASP  38   1.287 -12.459   0.941
  100    H    ASP  39           H        ASP  39  -0.267  -9.678   2.858
  101    HA   ASP  39           HA       ASP  39  -1.646  -9.192   0.427
  102   1HB   ASP  39          2HB       ASP  39  -2.160  -8.156   3.221
  103   2HB   ASP  39          1HB       ASP  39  -3.274  -7.977   1.868
  104    H    VAL  40           H        VAL  40   0.384  -7.205   2.491
  105    HA   VAL  40           HA       VAL  40  -0.295  -4.732   1.223
  106    HB   VAL  40           HB       VAL  40   2.060  -5.450   2.976
  107   1HG1  VAL  40          1HG1      VAL  40   1.095  -2.758   2.015
  108   2HG1  VAL  40          3HG1      VAL  40   2.304  -3.006   3.275
  109   3HG1  VAL  40          2HG1      VAL  40   2.630  -3.533   1.624
  110   1HG2  VAL  40          2HG2      VAL  40  -0.098  -5.661   4.094
  111   2HG2  VAL  40          1HG2      VAL  40   0.806  -4.285   4.726
  112   3HG2  VAL  40          3HG2      VAL  40  -0.526  -4.023   3.599
  113    H    ILE  41           H        ILE  41   2.487  -6.939   1.008
  114    HA   ILE  41           HA       ILE  41   3.958  -5.445  -0.861
  115    HB   ILE  41           HB       ILE  41   3.953  -8.434  -0.420
  116   1HG1  ILE  41          2HG1      ILE  41   5.869  -6.352   0.646
  117   2HG1  ILE  41          1HG1      ILE  41   4.499  -6.971   1.563
  118   1HG2  ILE  41          3HG2      ILE  41   5.963  -6.674  -1.819
  119   2HG2  ILE  41          2HG2      ILE  41   6.189  -8.382  -1.447
  120   3HG2  ILE  41          1HG2      ILE  41   4.925  -7.885  -2.572
  121   1HD1  ILE  41          1HD1      ILE  41   5.443  -9.226   1.424
  122   2HD1  ILE  41          3HD1      ILE  41   6.826  -8.580   0.541
  123   3HD1  ILE  41          2HD1      ILE  41   6.539  -8.090   2.211
  124    H    THR  42           H        THR  42   1.734  -8.184  -1.347
  125    HA   THR  42           HA       THR  42   1.961  -8.346  -4.124
  126    HB   THR  42           HB       THR  42  -0.496  -8.991  -2.485
  127    HG1  THR  42           HG1      THR  42   0.597 -11.191  -2.801
  128   1HG2  THR  42          2HG2      THR  42  -0.902  -8.910  -4.907
  129   2HG2  THR  42          1HG2      THR  42   0.435 -10.032  -5.165
  130   3HG2  THR  42          3HG2      THR  42  -1.004 -10.560  -4.291
  131    H    TRP  43           H        TRP  43  -0.635  -6.746  -2.246
  132    HA   TRP  43           HA       TRP  43  -1.986  -5.637  -4.408
  133   1HB   TRP  43          2HB       TRP  43  -2.980  -5.650  -2.199
  134   2HB   TRP  43          1HB       TRP  43  -1.720  -4.583  -1.585
  135    HD1  TRP  43           HD1      TRP  43  -4.776  -4.530  -3.934
  136    HE1  TRP  43           HE1      TRP  43  -5.595  -2.101  -4.141
  137    HE3  TRP  43           HE3      TRP  43  -1.053  -2.188  -1.324
  138    HZ2  TRP  43           HZ2      TRP  43  -4.773   0.467  -3.315
  139    HZ3  TRP  43           HZ3      TRP  43  -1.146   0.259  -1.078
  140    HH2  TRP  43           HH2      TRP  43  -2.969   1.558  -2.054
  141    H    CYS  44           H        CYS  44   0.680  -4.292  -2.503
  142    HA   CYS  44           HA       CYS  44   0.781  -1.750  -3.615
  143   1HB   CYS  44          2HB       CYS  44   2.118  -2.373  -1.676
  144   2HB   CYS  44          1HB       CYS  44   3.061  -3.493  -2.654
  145    HG   CYS  44           HG       CYS  44   4.026  -1.326  -4.309
  146    H    ILE  45           H        ILE  45   3.053  -4.343  -4.472
  147    HA   ILE  45           HA       ILE  45   4.056  -3.238  -6.797
  148    HB   ILE  45           HB       ILE  45   3.641  -6.180  -6.255
  149   1HG1  ILE  45          2HG1      ILE  45   6.078  -4.512  -5.636
  150   2HG1  ILE  45          1HG1      ILE  45   4.822  -4.847  -4.448
  151   1HG2  ILE  45          2HG2      ILE  45   5.579  -4.739  -8.055
  152   2HG2  ILE  45          1HG2      ILE  45   5.611  -6.467  -7.707
  153   3HG2  ILE  45          3HG2      ILE  45   4.236  -5.765  -8.557
  154   1HD1  ILE  45          3HD1      ILE  45   6.496  -6.906  -5.865
  155   2HD1  ILE  45          2HD1      ILE  45   6.716  -6.349  -4.205
  156   3HD1  ILE  45          1HD1      ILE  45   5.255  -7.231  -4.653
  157    H    SER  46           H        SER  46   1.043  -4.921  -6.300
  158    HA   SER  46           HA       SER  46   0.472  -5.683  -8.930
  159   1HB   SER  46          2HB       SER  46  -0.810  -6.505  -7.017
  160   2HB   SER  46          1HB       SER  46  -1.452  -4.887  -6.737
  161    HG   SER  46           HG       SER  46  -2.968  -5.971  -7.918
  162    H    THR  47           H        THR  47   0.730  -2.553  -7.657
  163    HA   THR  47           HA       THR  47  -0.133  -1.398 -10.135
  164    HB   THR  47           HB       THR  47  -2.319  -1.653  -9.115
  165    HG1  THR  47           HG1      THR  47  -2.487   0.209 -10.141
  166   1HG2  THR  47          3HG2      THR  47  -1.174  -0.081  -6.806
  167   2HG2  THR  47          2HG2      THR  47  -2.875  -0.501  -7.003
  168   3HG2  THR  47          1HG2      THR  47  -1.673  -1.772  -6.774
  169    H    LEU  48           H        LEU  48   2.099  -1.428  -7.947
  170    HA   LEU  48           HA       LEU  48   2.236   1.376  -7.240
  171   1HB   LEU  48          2HB       LEU  48   3.117  -0.732  -5.928
  172   2HB   LEU  48          1HB       LEU  48   4.542  -0.496  -6.917
  173    HG   LEU  48           HG       LEU  48   4.744   0.532  -4.686
  174   1HD1  LEU  48          2HD1      LEU  48   4.681   2.515  -6.952
  175   2HD1  LEU  48          1HD1      LEU  48   5.525   2.725  -5.418
  176   3HD1  LEU  48          3HD1      LEU  48   6.024   1.452  -6.531
  177   1HD2  LEU  48          3HD2      LEU  48   2.397   1.104  -4.341
  178   2HD2  LEU  48          2HD2      LEU  48   3.438   2.511  -4.127
  179   3HD2  LEU  48          1HD2      LEU  48   2.503   2.324  -5.611
  180    H    GLU  49           H        GLU  49   4.674  -0.714  -8.808
  181    HA   GLU  49           HA       GLU  49   5.019   1.315 -10.879
  182   1HB   GLU  49          2HB       GLU  49   7.128   0.472  -8.919
  183   2HB   GLU  49          1HB       GLU  49   7.569   1.037 -10.524
  184   1HG   GLU  49          2HG       GLU  49   5.884   2.607  -8.591
  185   2HG   GLU  49          1HG       GLU  49   7.630   2.784  -8.755
  186    H    VAL  50           H        VAL  50   6.755  -1.593  -9.767
  187    HA   VAL  50           HA       VAL  50   6.655  -2.602 -12.530
  188    HB   VAL  50           HB       VAL  50   8.587  -4.019 -11.895
  189   1HG1  VAL  50          1HG1      VAL  50   8.936  -1.848 -12.966
  190   2HG1  VAL  50          3HG1      VAL  50   8.991  -1.073 -11.382
  191   3HG1  VAL  50          2HG1      VAL  50  10.241  -2.228 -11.843
  192   1HG2  VAL  50          2HG2      VAL  50   8.466  -2.471  -9.307
  193   2HG2  VAL  50          1HG2      VAL  50   8.159  -4.196  -9.508
  194   3HG2  VAL  50          3HG2      VAL  50   9.774  -3.549  -9.797
  195    H    GLU  51           H        GLU  51   7.397  -5.224 -11.998
  196    HA   GLU  51           HA       GLU  51   4.899  -6.301 -10.909
  197   1HB   GLU  51          2HB       GLU  51   5.590  -8.390 -12.083
  198   2HB   GLU  51          1HB       GLU  51   5.400  -7.012 -13.160
  199   1HG   GLU  51          2HG       GLU  51   7.767  -6.709 -13.298
  200   2HG   GLU  51          1HG       GLU  51   8.044  -7.935 -12.061
  201    H    GLU  52           H        GLU  52   5.467  -8.776 -10.114
  202    HA   GLU  52           HA       GLU  52   6.901  -8.340  -7.669
  203   1HB   GLU  52          2HB       GLU  52   4.862  -9.751  -7.812
  204   2HB   GLU  52          1HB       GLU  52   5.765 -10.916  -8.770
  205   1HG   GLU  52          2HG       GLU  52   7.278 -11.295  -6.894
  206   2HG   GLU  52          1HG       GLU  52   6.385 -10.117  -5.934
  207    H    THR  53           H        THR  53   8.943  -7.805  -8.764
  208    HA   THR  53           HA       THR  53  10.622 -10.190  -8.966
  209    HB   THR  53           HB       THR  53  11.815  -9.308 -10.930
  210    HG1  THR  53           HG1      THR  53   9.781  -7.313 -10.848
  211   1HG2  THR  53          2HG2      THR  53  10.000 -10.914 -11.277
  212   2HG2  THR  53          1HG2      THR  53   8.841  -9.590 -11.389
  213   3HG2  THR  53          3HG2      THR  53  10.097  -9.770 -12.616
  214    H    ASP  54           H        ASP  54  10.474  -6.672  -8.961
  215    HA   ASP  54           HA       ASP  54  13.087  -6.099  -8.182
  216   1HB   ASP  54          2HB       ASP  54  11.570  -4.413  -9.063
  217   2HB   ASP  54          1HB       ASP  54  10.513  -4.593  -7.669
  218    HA   PRO  55           HA       PRO  55  13.469  -7.371  -3.952
  219   1HB   PRO  55          2HB       PRO  55  14.845  -4.773  -3.511
  220   2HB   PRO  55          1HB       PRO  55  15.405  -6.415  -3.180
  221   1HG   PRO  55          2HG       PRO  55  16.367  -5.055  -5.249
  222   2HG   PRO  55          1HG       PRO  55  16.025  -6.791  -5.384
  223   1HD   PRO  55          2HD       PRO  55  14.447  -4.461  -6.400
  224   2HD   PRO  55          1HD       PRO  55  14.757  -6.033  -7.166
  225    H    LEU  56           H        LEU  56  11.595  -4.783  -4.902
  226    HA   LEU  56           HA       LEU  56  11.036  -3.298  -2.659
  227   1HB   LEU  56          2HB       LEU  56  10.064  -2.998  -4.954
  228   2HB   LEU  56          1HB       LEU  56   8.961  -4.313  -4.600
  229    HG   LEU  56           HG       LEU  56   8.153  -2.924  -2.625
  230   1HD1  LEU  56          2HD1      LEU  56   9.645  -0.772  -4.118
  231   2HD1  LEU  56          1HD1      LEU  56   8.517  -0.511  -2.787
  232   3HD1  LEU  56          3HD1      LEU  56  10.028  -1.378  -2.506
  233   1HD2  LEU  56          2HD2      LEU  56   7.731  -1.886  -5.424
  234   2HD2  LEU  56          1HD2      LEU  56   6.848  -3.202  -4.653
  235   3HD2  LEU  56          3HD2      LEU  56   6.689  -1.558  -4.040
  236    H    CYS  57           H        CYS  57  10.281  -6.619  -3.276
  237    HA   CYS  57           HA       CYS  57   8.213  -6.913  -1.340
  238   1HB   CYS  57          2HB       CYS  57  10.070  -9.059  -2.387
  239   2HB   CYS  57          1HB       CYS  57   8.477  -9.288  -1.674
  240    HG   CYS  57           HG       CYS  57   9.262  -8.912  -4.809
  241    H    GLN  58           H        GLN  58  11.688  -7.615  -1.344
  242    HA   GLN  58           HA       GLN  58  11.870  -8.648   1.248
  243   1HB   GLN  58          2HB       GLN  58  13.656  -8.906  -0.386
  244   2HB   GLN  58          1HB       GLN  58  13.937  -7.171  -0.390
  245   1HG   GLN  58          2HG       GLN  58  14.661  -7.260   1.924
  246   2HG   GLN  58          1HG       GLN  58  14.325  -8.989   1.977
  247   1HE2  GLN  58          1HE2      GLN  58  15.317  -9.422  -0.737
  248   2HE2  GLN  58          2HE2      GLN  58  17.039  -9.338  -0.635
  249    H    ARG  59           H        ARG  59  12.336  -5.322   0.078
  250    HA   ARG  59           HA       ARG  59  13.064  -4.164   2.510
  251   1HB   ARG  59          2HB       ARG  59  13.048  -3.167   0.119
  252   2HB   ARG  59          1HB       ARG  59  11.392  -2.706   0.485
  253   1HG   ARG  59          2HG       ARG  59  12.818  -0.846   0.939
  254   2HG   ARG  59          1HG       ARG  59  12.229  -1.483   2.476
  255   1HD   ARG  59          2HD       ARG  59  14.334  -2.678   2.797
  256   2HD   ARG  59          1HD       ARG  59  14.920  -2.075   1.247
  257    HE   ARG  59           HE       ARG  59  14.165   0.068   2.937
  258   1HH1  ARG  59          1HH1      ARG  59  16.679  -2.295   2.450
  259   2HH1  ARG  59          2HH1      ARG  59  17.912  -1.321   3.180
  260   1HH2  ARG  59          1HH2      ARG  59  15.781   1.355   3.898
  261   2HH2  ARG  59          2HH2      ARG  59  17.400   0.752   4.004
  262    H    LEU  60           H        LEU  60   9.831  -4.374   1.021
  263    HA   LEU  60           HA       LEU  60   8.419  -3.143   3.099
  264   1HB   LEU  60          2HB       LEU  60   7.524  -5.250   1.134
  265   2HB   LEU  60          1HB       LEU  60   6.439  -4.362   2.187
  266    HG   LEU  60           HG       LEU  60   8.202  -3.072   0.103
  267   1HD1  LEU  60          2HD1      LEU  60   6.521  -4.537  -0.920
  268   2HD1  LEU  60          1HD1      LEU  60   5.257  -3.701  -0.019
  269   3HD1  LEU  60          3HD1      LEU  60   6.195  -2.833  -1.234
  270   1HD2  LEU  60          3HD2      LEU  60   7.570  -1.643   2.010
  271   2HD2  LEU  60          2HD2      LEU  60   6.849  -1.108   0.493
  272   3HD2  LEU  60          1HD2      LEU  60   5.873  -1.980   1.676
  273    H    ARG  61           H        ARG  61   9.558  -6.424   2.709
  274    HA   ARG  61           HA       ARG  61   7.996  -7.554   4.808
  275   1HB   ARG  61          2HB       ARG  61   9.056  -8.831   2.917
  276   2HB   ARG  61          1HB       ARG  61  10.609  -8.590   3.704
  277   1HG   ARG  61          2HG       ARG  61   8.413  -9.802   5.294
  278   2HG   ARG  61          1HG       ARG  61   9.193 -10.785   4.054
  279   1HD   ARG  61          2HD       ARG  61  11.379 -10.302   5.078
  280   2HD   ARG  61          1HD       ARG  61  10.568  -9.373   6.336
  281    HE   ARG  61           HE       ARG  61   9.351 -11.726   6.579
  282   1HH1  ARG  61          1HH1      ARG  61  12.730 -10.948   6.230
  283   2HH1  ARG  61          2HH1      ARG  61  13.272 -12.322   7.134
  284   1HH2  ARG  61          1HH2      ARG  61  10.055 -13.537   7.769
  285   2HH2  ARG  61          2HH2      ARG  61  11.751 -13.796   8.008
  286    H    GLU  62           H        GLU  62  11.129  -5.988   4.652
  287    HA   GLU  62           HA       GLU  62  12.266  -6.787   7.041
  288   1HB   GLU  62          2HB       GLU  62  12.376  -4.105   5.659
  289   2HB   GLU  62          1HB       GLU  62  13.380  -4.524   7.041
  290   1HG   GLU  62          2HG       GLU  62  13.369  -5.931   4.379
  291   2HG   GLU  62          1HG       GLU  62  14.581  -4.781   4.940
  292    H    ASN  63           H        ASN  63  10.429  -3.757   6.600
  293    HA   ASN  63           HA       ASN  63   9.992  -3.615   9.468
  294   1HB   ASN  63          2HB       ASN  63   9.065  -1.727   7.291
  295   2HB   ASN  63          1HB       ASN  63   9.022  -1.421   9.024
  296   1HD2  ASN  63          1HD2      ASN  63  10.337   0.117   6.975
  297   2HD2  ASN  63          2HD2      ASN  63  12.018   0.134   7.368
  298    H    ASP  64           H        ASP  64   8.607  -5.356   9.841
  299    HA   ASP  64           HA       ASP  64   6.285  -5.969   8.442
  300   1HB   ASP  64          2HB       ASP  64   6.877  -6.326  11.388
  301   2HB   ASP  64          1HB       ASP  64   5.537  -7.088  10.537
  302    H    ILE  65           H        ILE  65   5.086  -4.196   7.874
  303    HA   ILE  65           HA       ILE  65   3.745  -2.781  10.084
  304    HB   ILE  65           HB       ILE  65   4.503  -1.684   7.375
  305   1HG1  ILE  65          2HG1      ILE  65   6.376  -1.785   8.951
  306   2HG1  ILE  65          1HG1      ILE  65   5.898  -0.119   8.653
  307   1HG2  ILE  65          1HG2      ILE  65   2.954  -0.386   9.607
  308   2HG2  ILE  65          3HG2      ILE  65   3.544   0.436   8.163
  309   3HG2  ILE  65          2HG2      ILE  65   2.334  -0.838   8.019
  310   1HD1  ILE  65          3HD1      ILE  65   4.661  -0.126  10.782
  311   2HD1  ILE  65          2HD1      ILE  65   5.236  -1.767  11.080
  312   3HD1  ILE  65          1HD1      ILE  65   6.386  -0.434  10.985
  313    H    VAL  66           H        VAL  66   1.736  -3.516  10.225
  314    HA   VAL  66           HA       VAL  66   0.334  -4.871   8.211
  315    HB   VAL  66           HB       VAL  66  -1.662  -4.580   9.617
  316   1HG1  VAL  66          3HG1      VAL  66  -0.066  -6.337  10.168
  317   2HG1  VAL  66          2HG1      VAL  66   0.827  -5.215  11.194
  318   3HG1  VAL  66          1HG1      VAL  66  -0.817  -5.685  11.625
  319   1HG2  VAL  66          3HG2      VAL  66   0.096  -2.760  11.259
  320   2HG2  VAL  66          2HG2      VAL  66  -1.307  -2.275  10.308
  321   3HG2  VAL  66          1HG2      VAL  66  -1.513  -3.318  11.715
  322    H    GLY  67           H        GLY  67  -1.906  -4.121   7.457
  323   1HA   GLY  67          1HA       GLY  67  -2.991  -2.759   5.946
  324   2HA   GLY  67          2HA       GLY  67  -1.542  -1.766   5.882
  325    H    ASP  68           H        ASP  68  -2.675  -2.284   9.032
  326    HA   ASP  68           HA       ASP  68  -4.575  -0.131   9.119
  327   1HB   ASP  68          2HB       ASP  68  -4.699  -2.090  10.635
  328   2HB   ASP  68          1HB       ASP  68  -3.194  -1.576  11.392
  329    H    LEU  69           H        LEU  69  -1.229  -0.271   9.042
  330    HA   LEU  69           HA       LEU  69  -0.930   2.264  10.503
  331   1HB   LEU  69          2HB       LEU  69   0.921   0.007   9.875
  332   2HB   LEU  69          1HB       LEU  69   1.588   1.607  10.132
  333    HG   LEU  69           HG       LEU  69   0.826   1.666  12.384
  334   1HD1  LEU  69          3HD1      LEU  69  -0.789  -0.746  11.646
  335   2HD1  LEU  69          2HD1      LEU  69  -0.409  -0.356  13.323
  336   3HD1  LEU  69          1HD1      LEU  69  -1.337   0.778  12.341
  337   1HD2  LEU  69          1HD2      LEU  69   1.928  -1.062  11.744
  338   2HD2  LEU  69          3HD2      LEU  69   2.861   0.406  12.035
  339   3HD2  LEU  69          2HD2      LEU  69   1.921  -0.314  13.342
  340    H    LEU  70           H        LEU  70  -1.211   1.059   7.395
  341    HA   LEU  70           HA       LEU  70   0.668   2.499   5.933
  342   1HB   LEU  70          2HB       LEU  70  -2.134   1.686   5.168
  343   2HB   LEU  70          1HB       LEU  70  -0.952   2.319   4.040
  344    HG   LEU  70           HG       LEU  70  -0.643  -0.235   5.623
  345   1HD1  LEU  70          1HD1      LEU  70  -2.396  -0.389   3.922
  346   2HD1  LEU  70          3HD1      LEU  70  -1.258   0.183   2.702
  347   3HD1  LEU  70          2HD1      LEU  70  -0.990  -1.367   3.499
  348   1HD2  LEU  70          1HD2      LEU  70   1.050   0.958   3.430
  349   2HD2  LEU  70          3HD2      LEU  70   1.494   0.825   5.131
  350   3HD2  LEU  70          2HD2      LEU  70   1.278  -0.631   4.160
  351    HA   PRO  71           HA       PRO  71  -2.365   6.186   5.650
  352   1HB   PRO  71          2HB       PRO  71  -4.609   6.251   7.104
  353   2HB   PRO  71          1HB       PRO  71  -4.529   5.358   5.580
  354   1HG   PRO  71          2HG       PRO  71  -4.345   4.337   8.388
  355   2HG   PRO  71          1HG       PRO  71  -5.224   3.658   7.005
  356   1HD   PRO  71          2HD       PRO  71  -2.766   2.771   7.858
  357   2HD   PRO  71          1HD       PRO  71  -3.368   2.594   6.199
  358    H    GLU  72           H        GLU  72  -1.313   4.773   8.527
  359    HA   GLU  72           HA       GLU  72  -1.619   7.204  10.112
  360   1HB   GLU  72          2HB       GLU  72  -2.119   5.074  11.198
  361   2HB   GLU  72          1HB       GLU  72  -0.499   4.492  10.843
  362   1HG   GLU  72          2HG       GLU  72   0.468   6.118  12.319
  363   2HG   GLU  72          1HG       GLU  72  -1.103   6.872  12.580
  364    H    LEU  73           H        LEU  73   0.811   5.387   8.396
  365    HA   LEU  73           HA       LEU  73   2.989   6.928   9.546
  366   1HB   LEU  73          2HB       LEU  73   2.970   4.808   7.399
  367   2HB   LEU  73          1HB       LEU  73   4.415   5.567   8.038
  368    HG   LEU  73           HG       LEU  73   2.485   3.895   9.650
  369   1HD1  LEU  73          2HD1      LEU  73   5.227   3.237   8.582
  370   2HD1  LEU  73          1HD1      LEU  73   4.268   2.225   9.662
  371   3HD1  LEU  73          3HD1      LEU  73   3.701   2.551   8.025
  372   1HD2  LEU  73          1HD2      LEU  73   3.618   5.616  10.971
  373   2HD2  LEU  73          3HD2      LEU  73   4.187   3.999  11.389
  374   3HD2  LEU  73          2HD2      LEU  73   5.177   5.047  10.373
  375    H    CYS  74           H        CYS  74   4.273   8.388   8.439
  376    HA   CYS  74           HA       CYS  74   2.954   9.737   6.232
  377   1HB   CYS  74          2HB       CYS  74   5.446  10.472   7.785
  378   2HB   CYS  74          1HB       CYS  74   4.653  11.492   6.588
  379    HG   CYS  74           HG       CYS  74   2.477  12.114   8.045
  380    H    LEU  75           H        LEU  75   5.024  10.861   4.850
  381    HA   LEU  75           HA       LEU  75   5.731   8.792   3.053
  382   1HB   LEU  75          2HB       LEU  75   6.658  11.647   3.293
  383   2HB   LEU  75          1HB       LEU  75   7.163  10.580   1.997
  384    HG   LEU  75           HG       LEU  75   4.290  11.317   2.555
  385   1HD1  LEU  75          3HD1      LEU  75   6.232  12.429   0.536
  386   2HD1  LEU  75          2HD1      LEU  75   4.497  12.745   0.557
  387   3HD1  LEU  75          1HD1      LEU  75   5.511  13.294   1.893
  388   1HD2  LEU  75          2HD2      LEU  75   5.607   9.937   0.218
  389   2HD2  LEU  75          1HD2      LEU  75   4.557   9.182   1.418
  390   3HD2  LEU  75          3HD2      LEU  75   3.907  10.396   0.316
  391    H    GLN  76           H        GLN  76   7.192   9.925   5.918
  392    HA   GLN  76           HA       GLN  76   9.904   9.482   5.394
  393   1HB   GLN  76          2HB       GLN  76   8.347   9.195   7.967
  394   2HB   GLN  76          1HB       GLN  76  10.103   9.160   7.868
  395   1HG   GLN  76          2HG       GLN  76  10.124  11.426   7.003
  396   2HG   GLN  76          1HG       GLN  76   8.362  11.467   7.026
  397   1HE2  GLN  76          1HE2      GLN  76   8.333  13.234   8.409
  398   2HE2  GLN  76          2HE2      GLN  76   8.729  13.098  10.086
  399    H    ASP  77           H        ASP  77   7.512   7.278   6.855
  400    HA   ASP  77           HA       ASP  77   9.272   5.054   6.920
  401   1HB   ASP  77          2HB       ASP  77   6.251   5.175   7.030
  402   2HB   ASP  77          1HB       ASP  77   7.206   3.732   7.354
  403    H    CYS  78           H        CYS  78   7.279   6.447   4.473
  404    HA   CYS  78           HA       CYS  78   7.126   4.099   2.821
  405   1HB   CYS  78          2HB       CYS  78   6.608   7.006   2.154
  406   2HB   CYS  78          1HB       CYS  78   6.206   5.638   1.124
  407    HG   CYS  78           HG       CYS  78   4.006   6.917   2.642
  408    H    GLN  79           H        GLN  79   9.308   6.792   3.197
  409    HA   GLN  79           HA       GLN  79  10.663   6.389   0.703
  410   1HB   GLN  79          2HB       GLN  79  10.590   8.562   2.009
  411   2HB   GLN  79          1HB       GLN  79  11.737   7.834   3.126
  412   1HG   GLN  79          2HG       GLN  79  13.344   7.562   1.319
  413   2HG   GLN  79          1HG       GLN  79  12.188   8.255   0.180
  414   1HE2  GLN  79          1HE2      GLN  79  11.775  10.456   0.229
  415   2HE2  GLN  79          2HE2      GLN  79  12.793  11.571   1.068
  416    H    ASP  80           H        ASP  80  11.115   5.368   4.040
  417    HA   ASP  80           HA       ASP  80  13.670   4.183   3.679
  418   1HB   ASP  80          2HB       ASP  80  12.760   4.761   5.904
  419   2HB   ASP  80          1HB       ASP  80  11.517   3.527   5.708
  420    H    LEU  81           H        LEU  81  10.562   3.346   2.677
  421    HA   LEU  81           HA       LEU  81  11.070   0.490   2.508
  422   1HB   LEU  81          2HB       LEU  81   8.742   2.283   2.250
  423   2HB   LEU  81          1HB       LEU  81   8.721   0.881   1.202
  424    HG   LEU  81           HG       LEU  81   8.636  -0.621   3.003
  425   1HD1  LEU  81          3HD1      LEU  81   9.480   1.670   4.766
  426   2HD1  LEU  81          2HD1      LEU  81   8.936   0.103   5.365
  427   3HD1  LEU  81          1HD1      LEU  81  10.400   0.214   4.386
  428   1HD2  LEU  81          3HD2      LEU  81   6.544   0.609   2.654
  429   2HD2  LEU  81          2HD2      LEU  81   6.746   0.113   4.334
  430   3HD2  LEU  81          1HD2      LEU  81   7.046   1.788   3.867
  431    H    CYS  82           H        CYS  82  11.584   3.255   0.644
  432    HA   CYS  82           HA       CYS  82  11.597   1.749  -1.876
  433   1HB   CYS  82          2HB       CYS  82  10.378   3.852  -1.961
  434   2HB   CYS  82          1HB       CYS  82  11.776   4.723  -1.341
  435    HG   CYS  82           HG       CYS  82  11.452   5.295  -4.070
  436    H    ASP  83           H        ASP  83  13.442   2.114  -3.345
  437    HA   ASP  83           HA       ASP  83  15.890   1.523  -2.089
  438   1HB   ASP  83          2HB       ASP  83  15.286   0.831  -4.399
  439   2HB   ASP  83          1HB       ASP  83  15.448   2.506  -4.916
  440    H    GLY  84           H        GLY  84  14.353   4.508  -2.781
  441   1HA   GLY  84          1HA       GLY  84  16.874   5.996  -2.538
  442   2HA   GLY  84          2HA       GLY  84  15.616   6.268  -1.343
  443    H    ASP  85           H        ASP  85  13.888   5.639  -3.979
  444    HA   ASP  85           HA       ASP  85  14.125   8.266  -5.226
  445   1HB   ASP  85          2HB       ASP  85  13.932   6.263  -6.665
  446   2HB   ASP  85          1HB       ASP  85  12.354   5.924  -5.962
  447    H    LEU  86           H        LEU  86  12.954   9.906  -4.507
  448    HA   LEU  86           HA       LEU  86  10.946   9.666  -2.552
  449   1HB   LEU  86          2HB       LEU  86  12.269  11.689  -2.812
  450   2HB   LEU  86          1HB       LEU  86  11.587  11.962  -4.403
  451    HG   LEU  86           HG       LEU  86   9.349  12.247  -3.342
  452   1HD1  LEU  86          3HD1      LEU  86  10.940  12.147  -0.785
  453   2HD1  LEU  86          2HD1      LEU  86   9.248  12.629  -0.925
  454   3HD1  LEU  86          1HD1      LEU  86   9.730  10.975  -1.308
  455   1HD2  LEU  86          1HD2      LEU  86  10.732  14.172  -3.926
  456   2HD2  LEU  86          3HD2      LEU  86   9.795  14.477  -2.462
  457   3HD2  LEU  86          2HD2      LEU  86  11.513  14.095  -2.346
  458    H    ASN  87           H        ASN  87  10.736  10.279  -6.046
  459    HA   ASN  87           HA       ASN  87   8.015  10.673  -6.294
  460   1HB   ASN  87          2HB       ASN  87   9.549  10.976  -8.160
  461   2HB   ASN  87          1HB       ASN  87   9.879   9.247  -8.203
  462   1HD2  ASN  87          1HD2      ASN  87   9.194   9.049 -10.318
  463   2HD2  ASN  87          2HD2      ASN  87   7.529   9.137 -10.767
  464    H    LYS  88           H        LYS  88   9.756   7.691  -5.776
  465    HA   LYS  88           HA       LYS  88   7.658   5.918  -6.475
  466   1HB   LYS  88          2HB       LYS  88  10.350   5.779  -5.481
  467   2HB   LYS  88          1HB       LYS  88   9.320   4.716  -4.548
  468   1HG   LYS  88          2HG       LYS  88   8.725   4.395  -7.322
  469   2HG   LYS  88          1HG       LYS  88  10.466   4.248  -7.069
  470   1HD   LYS  88          2HD       LYS  88   9.952   2.633  -5.210
  471   2HD   LYS  88          1HD       LYS  88   8.270   2.666  -5.744
  472   1HE   LYS  88          2HE       LYS  88   9.445   0.749  -6.688
  473   2HE   LYS  88          1HE       LYS  88   8.956   1.874  -7.954
  474   1HZ   LYS  88          3HZ       LYS  88  11.676   1.674  -6.777
  475   2HZ   LYS  88          2HZ       LYS  88  11.211   1.088  -8.295
  476   3HZ   LYS  88          1HZ       LYS  88  11.206   2.752  -7.995
  477    H    ALA  89           H        ALA  89   8.874   7.114  -3.349
  478    HA   ALA  89           HA       ALA  89   6.974   5.799  -1.747
  479   1HB   ALA  89          1HB       ALA  89   7.684   7.241   0.036
  480   2HB   ALA  89          2HB       ALA  89   8.387   8.384  -1.109
  481   3HB   ALA  89          3HB       ALA  89   9.097   6.781  -0.916
  482    H    ILE  90           H        ILE  90   6.809   8.744  -3.596
  483    HA   ILE  90           HA       ILE  90   4.583   9.898  -2.271
  484    HB   ILE  90           HB       ILE  90   5.538  10.276  -5.114
  485   1HG1  ILE  90          2HG1      ILE  90   5.927  12.018  -2.670
  486   2HG1  ILE  90          1HG1      ILE  90   7.140  10.913  -3.303
  487   1HG2  ILE  90          3HG2      ILE  90   3.558  11.880  -3.501
  488   2HG2  ILE  90          2HG2      ILE  90   4.206  12.348  -5.072
  489   3HG2  ILE  90          1HG2      ILE  90   3.205  10.905  -4.927
  490   1HD1  ILE  90          2HD1      ILE  90   7.194  12.180  -5.392
  491   2HD1  ILE  90          1HD1      ILE  90   5.990  13.292  -4.740
  492   3HD1  ILE  90          3HD1      ILE  90   7.586  13.188  -3.999
  493    H    LYS  91           H        LYS  91   4.783   8.118  -5.367
  494    HA   LYS  91           HA       LYS  91   2.037   7.944  -5.830
  495   1HB   LYS  91          2HB       LYS  91   4.282   6.095  -6.646
  496   2HB   LYS  91          1HB       LYS  91   2.634   5.935  -7.236
  497   1HG   LYS  91          2HG       LYS  91   4.327   8.397  -7.591
  498   2HG   LYS  91          1HG       LYS  91   4.158   7.117  -8.793
  499   1HD   LYS  91          2HD       LYS  91   1.861   8.718  -7.667
  500   2HD   LYS  91          1HD       LYS  91   2.672   9.075  -9.192
  501   1HE   LYS  91          2HE       LYS  91   1.218   6.519  -8.512
  502   2HE   LYS  91          1HE       LYS  91   0.613   7.807  -9.552
  503   1HZ   LYS  91          2HZ       LYS  91   2.475   7.400 -11.054
  504   2HZ   LYS  91          1HZ       LYS  91   3.018   6.139 -10.065
  505   3HZ   LYS  91          3HZ       LYS  91   1.528   6.011 -10.859
  506    H    PHE  92           H        PHE  92   4.112   6.147  -3.719
  507    HA   PHE  92           HA       PHE  92   2.487   3.891  -3.270
  508   1HB   PHE  92          2HB       PHE  92   4.866   4.039  -2.620
  509   2HB   PHE  92          1HB       PHE  92   4.456   5.240  -1.405
  510    HD1  PHE  92           HD1      PHE  92   3.045   1.907  -2.345
  511    HD2  PHE  92           HD2      PHE  92   4.668   4.395   0.701
  512    HE1  PHE  92           HE1      PHE  92   2.706   0.108  -0.703
  513    HE2  PHE  92           HE2      PHE  92   4.328   2.602   2.351
  514    HZ   PHE  92           HZ       PHE  92   3.347   0.454   1.649
  515    H    LYS  93           H        LYS  93   2.960   6.737  -1.171
  516    HA   LYS  93           HA       LYS  93   0.844   6.197   0.574
  517   1HB   LYS  93          2HB       LYS  93   2.692   7.820   0.989
  518   2HB   LYS  93          1HB       LYS  93   1.939   8.917  -0.161
  519   1HG   LYS  93          2HG       LYS  93  -0.084   8.951   1.273
  520   2HG   LYS  93          1HG       LYS  93   0.786   7.970   2.453
  521   1HD   LYS  93          2HD       LYS  93   0.980  10.219   3.176
  522   2HD   LYS  93          1HD       LYS  93   2.543   9.783   2.486
  523   1HE   LYS  93          2HE       LYS  93   1.917  11.991   1.740
  524   2HE   LYS  93          1HE       LYS  93   1.882  10.875   0.376
  525   1HZ   LYS  93          3HZ       LYS  93  -0.533  10.708   0.657
  526   2HZ   LYS  93          2HZ       LYS  93  -0.469  11.843   1.911
  527   3HZ   LYS  93          1HZ       LYS  93  -0.045  12.298   0.339
  528    H    ILE  94           H        ILE  94   0.880   7.632  -2.588
  529    HA   ILE  94           HA       ILE  94  -1.587   8.994  -2.480
  530    HB   ILE  94           HB       ILE  94   0.029   7.897  -4.761
  531   1HG1  ILE  94          2HG1      ILE  94  -0.756  10.719  -3.998
  532   2HG1  ILE  94          1HG1      ILE  94   0.771   9.957  -3.566
  533   1HG2  ILE  94          1HG2      ILE  94  -2.641   9.287  -4.933
  534   2HG2  ILE  94          3HG2      ILE  94  -1.558   9.011  -6.299
  535   3HG2  ILE  94          2HG2      ILE  94  -2.271   7.640  -5.444
  536   1HD1  ILE  94          2HD1      ILE  94  -0.190  10.479  -6.368
  537   2HD1  ILE  94          1HD1      ILE  94   0.997  11.442  -5.485
  538   3HD1  ILE  94          3HD1      ILE  94   1.358   9.768  -5.912
  539    H    LEU  95           H        LEU  95  -0.918   5.959  -4.239
  540    HA   LEU  95           HA       LEU  95  -3.510   5.219  -4.750
  541   1HB   LEU  95          2HB       LEU  95  -1.206   3.387  -4.078
  542   2HB   LEU  95          1HB       LEU  95  -2.694   2.892  -4.862
  543    HG   LEU  95           HG       LEU  95  -0.651   4.802  -6.003
  544   1HD1  LEU  95          3HD1      LEU  95   0.100   2.473  -5.947
  545   2HD1  LEU  95          2HD1      LEU  95  -1.370   1.982  -6.791
  546   3HD1  LEU  95          1HD1      LEU  95  -0.197   3.023  -7.596
  547   1HD2  LEU  95          3HD2      LEU  95  -2.920   5.367  -6.709
  548   2HD2  LEU  95          2HD2      LEU  95  -1.988   4.692  -8.045
  549   3HD2  LEU  95          1HD2      LEU  95  -3.183   3.698  -7.216
  550    H    ILE  96           H        ILE  96  -1.711   4.921  -1.770
  551    HA   ILE  96           HA       ILE  96  -3.644   3.230  -0.505
  552    HB   ILE  96           HB       ILE  96  -1.441   4.875   0.742
  553   1HG1  ILE  96          2HG1      ILE  96  -1.438   1.920   0.123
  554   2HG1  ILE  96          1HG1      ILE  96  -0.786   3.126  -0.983
  555   1HG2  ILE  96          2HG2      ILE  96  -3.063   2.587   1.854
  556   2HG2  ILE  96          1HG2      ILE  96  -1.672   3.330   2.643
  557   3HG2  ILE  96          3HG2      ILE  96  -3.138   4.271   2.370
  558   1HD1  ILE  96          1HD1      ILE  96   0.771   3.840   0.804
  559   2HD1  ILE  96          3HD1      ILE  96   0.177   2.509   1.797
  560   3HD1  ILE  96          2HD1      ILE  96   1.002   2.176   0.275
  561    H    ASN  97           H        ASN  97  -3.030   6.677  -0.656
  562    HA   ASN  97           HA       ASN  97  -4.772   7.443   1.440
  563   1HB   ASN  97          2HB       ASN  97  -3.039   8.945   0.602
  564   2HB   ASN  97          1HB       ASN  97  -3.825   9.003  -0.973
  565   1HD2  ASN  97          1HD2      ASN  97  -5.742  10.154  -1.210
  566   2HD2  ASN  97          2HD2      ASN  97  -6.255  11.327  -0.050
  567    H    LYS  98           H        LYS  98  -5.228   7.040  -2.046
  568    HA   LYS  98           HA       LYS  98  -7.918   8.002  -2.045
  569   1HB   LYS  98          2HB       LYS  98  -6.217   6.530  -4.036
  570   2HB   LYS  98          1HB       LYS  98  -7.935   6.760  -4.326
  571   1HG   LYS  98          2HG       LYS  98  -6.728   8.486  -5.454
  572   2HG   LYS  98          1HG       LYS  98  -7.597   9.205  -4.098
  573   1HD   LYS  98          2HD       LYS  98  -5.535   9.167  -2.769
  574   2HD   LYS  98          1HD       LYS  98  -4.671   8.468  -4.140
  575   1HE   LYS  98          2HE       LYS  98  -4.282  10.868  -3.999
  576   2HE   LYS  98          1HE       LYS  98  -5.167  10.460  -5.468
  577   1HZ   LYS  98          1HZ       LYS  98  -7.217  11.136  -4.367
  578   2HZ   LYS  98          3HZ       LYS  98  -6.354  11.547  -2.971
  579   3HZ   LYS  98          2HZ       LYS  98  -6.103  12.407  -4.405
  580    H    MET  99           H        MET  99  -6.445   4.772  -2.103
  581    HA   MET  99           HA       MET  99  -8.803   3.280  -2.253
  582   1HB   MET  99          2HB       MET  99  -6.447   2.421  -2.522
  583   2HB   MET  99          1HB       MET  99  -6.295   2.474  -0.772
  584   1HG   MET  99          2HG       MET  99  -8.495   0.930  -2.089
  585   2HG   MET  99          1HG       MET  99  -6.884   0.246  -1.894
  586   1HE   MET  99          2HE       MET  99  -5.894   1.371   0.849
  587   2HE   MET  99          1HE       MET  99  -6.456   0.134   1.971
  588   3HE   MET  99          3HE       MET  99  -5.776  -0.334   0.413
  589    H    ARG 100           H        ARG 100  -7.104   4.662   0.501
  590    HA   ARG 100           HA       ARG 100  -8.831   3.469   2.458
  591   1HB   ARG 100          2HB       ARG 100  -6.511   4.054   2.997
  592   2HB   ARG 100          1HB       ARG 100  -6.857   5.749   2.695
  593   1HG   ARG 100          2HG       ARG 100  -8.511   4.356   4.723
  594   2HG   ARG 100          1HG       ARG 100  -6.832   4.715   5.131
  595   1HD   ARG 100          2HD       ARG 100  -7.218   7.077   4.577
  596   2HD   ARG 100          1HD       ARG 100  -8.899   6.709   4.202
  597    HE   ARG 100           HE       ARG 100  -8.501   5.815   6.772
  598   1HH1  ARG 100          1HH1      ARG 100  -8.251   8.861   5.095
  599   2HH1  ARG 100          2HH1      ARG 100  -8.632   9.808   6.495
  600   1HH2  ARG 100          1HH2      ARG 100  -9.003   7.053   8.617
  601   2HH2  ARG 100          2HH2      ARG 100  -9.059   8.781   8.496
  602    H    ASP 101           H        ASP 101  -8.758   6.428   0.623
  603    HA   ASP 101           HA       ASP 101 -10.482   7.985   2.196
  604   1HB   ASP 101          2HB       ASP 101  -9.158   8.950   0.384
  605   2HB   ASP 101          1HB       ASP 101 -10.070   8.021  -0.802
  606    H    SER 102           H        SER 102 -11.373   6.493  -0.916
  607    HA   SER 102           HA       SER 102 -13.669   5.178   0.131
  608   1HB   SER 102          2HB       SER 102 -14.497   7.503   0.232
  609   2HB   SER 102          1HB       SER 102 -14.175   7.685  -1.493
  610    HG   SER 102           HG       SER 102 -16.398   6.967  -0.574
  611    H    LYS 103           H        LYS 103 -15.182   4.551  -1.816
  612    HA   LYS 103           HA       LYS 103 -13.605   3.067  -3.619
  613   1HB   LYS 103          2HB       LYS 103 -15.832   2.333  -2.951
  614   2HB   LYS 103          1HB       LYS 103 -16.551   3.740  -3.720
  615   1HG   LYS 103          2HG       LYS 103 -15.749   2.935  -5.900
  616   2HG   LYS 103          1HG       LYS 103 -15.092   1.502  -5.110
  617   1HD   LYS 103          2HD       LYS 103 -17.214   0.925  -6.058
  618   2HD   LYS 103          1HD       LYS 103 -17.394   0.977  -4.305
  619   1HE   LYS 103          2HE       LYS 103 -18.390   3.186  -4.447
  620   2HE   LYS 103          1HE       LYS 103 -18.141   3.209  -6.192
  621   1HZ   LYS 103          1HZ       LYS 103 -19.886   1.309  -4.719
  622   2HZ   LYS 103          3HZ       LYS 103 -20.416   2.632  -5.629
  623   3HZ   LYS 103          2HZ       LYS 103 -19.652   1.332  -6.392
  624    H    LEU 104           H        LEU 104 -12.801   3.524  -5.575
  625    HA   LEU 104           HA       LEU 104 -13.630   6.059  -6.835
  626   1HB   LEU 104          2HB       LEU 104 -11.283   5.986  -6.007
  627   2HB   LEU 104          1HB       LEU 104 -10.975   4.642  -7.090
  628    HG   LEU 104           HG       LEU 104 -11.497   6.121  -9.017
  629   1HD1  LEU 104          3HD1      LEU 104 -11.583   8.279  -6.913
  630   2HD1  LEU 104          2HD1      LEU 104 -11.589   8.540  -8.657
  631   3HD1  LEU 104          1HD1      LEU 104 -12.943   7.716  -7.883
  632   1HD2  LEU 104          1HD2      LEU 104  -9.317   7.090  -7.173
  633   2HD2  LEU 104          3HD2      LEU 104  -9.193   5.764  -8.329
  634   3HD2  LEU 104          2HD2      LEU 104  -9.420   7.417  -8.903
  635    H    GLU 105           H        GLU 105 -12.291   2.858  -7.586
  636    HA   GLU 105           HA       GLU 105 -14.248   2.219  -9.504
  637   1HB   GLU 105          2HB       GLU 105 -13.003   3.986 -10.777
  638   2HB   GLU 105          1HB       GLU 105 -11.571   2.970 -10.695
  639   1HG   GLU 105          2HG       GLU 105 -12.649   2.728 -12.838
  640   2HG   GLU 105          1HG       GLU 105 -12.753   1.218 -11.932
  641    H    TRP 106           H        TRP 106 -13.928   0.500  -7.852
  642    HA   TRP 106           HA       TRP 106 -11.620  -1.214  -8.395
  643   1HB   TRP 106          2HB       TRP 106 -13.611  -1.730  -6.220
  644   2HB   TRP 106          1HB       TRP 106 -11.920  -2.203  -6.306
  645    HD1  TRP 106           HD1      TRP 106 -13.748  -0.262  -4.160
  646    HE1  TRP 106           HE1      TRP 106 -12.539   1.841  -3.296
  647    HE3  TRP 106           HE3      TRP 106 -10.097   0.083  -7.708
  648    HZ2  TRP 106           HZ2      TRP 106 -10.327   3.433  -4.027
  649    HZ3  TRP 106           HZ3      TRP 106  -8.471   1.922  -7.558
  650    HH2  TRP 106           HH2      TRP 106  -8.585   3.563  -5.754
  651    H    LYS 107           H        LYS 107 -14.413  -0.813  -9.781
  652    HA   LYS 107           HA       LYS 107 -14.973  -3.692 -10.060
  653   1HB   LYS 107          2HB       LYS 107 -16.911  -1.383 -10.299
  654   2HB   LYS 107          1HB       LYS 107 -17.301  -3.067 -10.622
  655   1HG   LYS 107          2HG       LYS 107 -16.884  -3.646  -8.314
  656   2HG   LYS 107          1HG       LYS 107 -16.366  -1.997  -7.967
  657   1HD   LYS 107          2HD       LYS 107 -18.572  -2.074  -7.199
  658   2HD   LYS 107          1HD       LYS 107 -18.697  -1.299  -8.778
  659   1HE   LYS 107          2HE       LYS 107 -19.130  -4.245  -8.312
  660   2HE   LYS 107          1HE       LYS 107 -20.428  -3.052  -8.316
  661   1HZ   LYS 107          3HZ       LYS 107 -19.698  -2.458 -10.610
  662   2HZ   LYS 107          2HZ       LYS 107 -18.655  -3.790 -10.577
  663   3HZ   LYS 107          1HZ       LYS 107 -20.326  -4.023 -10.461
  664    H    ASP 108           H        ASP 108 -13.632  -4.027 -11.810
  665    HA   ASP 108           HA       ASP 108 -14.118  -2.426 -14.219
  666   1HB   ASP 108          2HB       ASP 108 -11.921  -4.419 -13.617
  667   2HB   ASP 108          1HB       ASP 108 -12.057  -3.467 -15.092

  No H/Q in entry =         667
  Start of MODEL   14
    1    H1   GLY  24          3H        GLY  24  -4.495 -12.956  12.492
    2    H2   GLY  24          2H        GLY  24  -4.801 -14.121  13.680
    3    H3   GLY  24          1H        GLY  24  -3.295 -13.352  13.616
    4   1HA   GLY  24          2HA       GLY  24  -3.134 -15.584  12.725
    5   2HA   GLY  24          1HA       GLY  24  -2.809 -14.374  11.493
    6    H    SER  25           H        SER  25  -5.221 -13.557  10.667
    7    HA   SER  25           HA       SER  25  -6.963 -15.809  10.174
    8   1HB   SER  25          2HB       SER  25  -7.059 -12.968   9.128
    9   2HB   SER  25          1HB       SER  25  -8.322 -14.178   8.904
   10    HG   SER  25           HG       SER  25  -7.593 -12.758  11.189
   11    H    HIS  26           H        HIS  26  -7.090 -17.012   8.362
   12    HA   HIS  26           HA       HIS  26  -5.237 -16.342   6.171
   13   1HB   HIS  26          2HB       HIS  26  -5.142 -18.773   5.707
   14   2HB   HIS  26          1HB       HIS  26  -4.555 -18.372   7.316
   15    HD1  HIS  26           HD1      HIS  26  -5.885 -19.265   9.318
   16    HD2  HIS  26           HD2      HIS  26  -7.554 -20.230   5.637
   17    HE1  HIS  26           HE1      HIS  26  -7.647 -20.990   9.811
   18    HE2  HIS  26           HE2      HIS  26  -8.710 -21.485   7.582
   19    H    MET  27           H        MET  27  -8.305 -15.980   6.839
   20    HA   MET  27           HA       MET  27  -9.555 -17.276   4.590
   21   1HB   MET  27          2HB       MET  27 -10.580 -15.203   6.536
   22   2HB   MET  27          1HB       MET  27 -11.561 -15.968   5.294
   23   1HG   MET  27          2HG       MET  27 -11.166 -18.147   6.322
   24   2HG   MET  27          1HG       MET  27 -10.184 -17.380   7.567
   25   1HE   MET  27          1HE       MET  27 -12.709 -19.316   8.092
   26   2HE   MET  27          3HE       MET  27 -11.732 -18.629   9.391
   27   3HE   MET  27          2HE       MET  27 -13.488 -18.473   9.430
   28    H    ASN  28           H        ASN  28 -11.219 -15.490   3.482
   29    HA   ASN  28           HA       ASN  28  -9.576 -14.132   1.635
   30   1HB   ASN  28          2HB       ASN  28 -11.756 -13.136   0.838
   31   2HB   ASN  28          1HB       ASN  28 -11.712 -14.894   0.896
   32   1HD2  ASN  28          1HD2      ASN  28 -12.889 -15.978   2.478
   33   2HD2  ASN  28          2HD2      ASN  28 -14.172 -15.214   3.345
   34    H    ASN  29           H        ASN  29 -11.785 -12.840   4.122
   35    HA   ASN  29           HA       ASN  29 -11.796 -10.893   5.292
   36   1HB   ASN  29          2HB       ASN  29  -9.448 -11.533   5.818
   37   2HB   ASN  29          1HB       ASN  29  -8.914 -10.617   4.412
   38   1HD2  ASN  29          1HD2      ASN  29  -7.693  -9.182   5.579
   39   2HD2  ASN  29          2HD2      ASN  29  -8.384  -7.983   6.613
   40    H    GLU  30           H        GLU  30 -11.822  -8.543   5.046
   41    HA   GLU  30           HA       GLU  30 -11.613  -7.624   2.266
   42   1HB   GLU  30          2HB       GLU  30 -13.982  -7.154   4.084
   43   2HB   GLU  30          1HB       GLU  30 -13.757  -6.416   2.504
   44   1HG   GLU  30          2HG       GLU  30 -13.830  -8.613   1.455
   45   2HG   GLU  30          1HG       GLU  30 -14.034  -9.365   3.036
   46    H    ASP  31           H        ASP  31 -11.356  -7.012   5.646
   47    HA   ASP  31           HA       ASP  31 -11.046  -4.156   5.395
   48   1HB   ASP  31          2HB       ASP  31 -10.431  -5.991   7.722
   49   2HB   ASP  31          1HB       ASP  31 -10.472  -4.231   7.787
   50    H    PHE  32           H        PHE  32  -9.192  -3.008   5.232
   51    HA   PHE  32           HA       PHE  32  -6.805  -4.415   4.473
   52   1HB   PHE  32          2HB       PHE  32  -5.857  -2.160   4.117
   53   2HB   PHE  32          1HB       PHE  32  -7.406  -2.363   3.308
   54    HD1  PHE  32           HD1      PHE  32  -5.591  -0.626   5.942
   55    HD2  PHE  32           HD2      PHE  32  -9.391  -1.204   4.115
   56    HE1  PHE  32           HE1      PHE  32  -6.433   1.398   7.060
   57    HE2  PHE  32           HE2      PHE  32 -10.239   0.818   5.230
   58    HZ   PHE  32           HZ       PHE  32  -8.759   2.121   6.704
   59    H    SER  33           H        SER  33  -8.067  -3.057   7.358
   60    HA   SER  33           HA       SER  33  -5.589  -2.605   8.696
   61   1HB   SER  33          2HB       SER  33  -6.979  -2.428  10.732
   62   2HB   SER  33          1HB       SER  33  -7.633  -1.461   9.410
   63    HG   SER  33           HG       SER  33  -8.906  -3.256  10.793
   64    H    GLN  34           H        GLN  34  -7.328  -5.392   7.881
   65    HA   GLN  34           HA       GLN  34  -6.010  -6.963   9.989
   66   1HB   GLN  34          2HB       GLN  34  -8.349  -7.693   8.219
   67   2HB   GLN  34          1HB       GLN  34  -7.644  -8.732   9.450
   68   1HG   GLN  34          2HG       GLN  34  -8.980  -6.076   9.934
   69   2HG   GLN  34          1HG       GLN  34  -9.687  -7.664  10.234
   70   1HE2  GLN  34          1HE2      GLN  34  -8.937  -8.900  11.960
   71   2HE2  GLN  34          2HE2      GLN  34  -8.021  -8.210  13.251
   72    H    TRP  35           H        TRP  35  -5.391  -5.999   6.966
   73    HA   TRP  35           HA       TRP  35  -4.800  -8.368   5.559
   74   1HB   TRP  35          2HB       TRP  35  -3.946  -5.512   5.321
   75   2HB   TRP  35          1HB       TRP  35  -3.076  -6.733   4.403
   76    HD1  TRP  35           HD1      TRP  35  -6.358  -8.116   4.322
   77    HE1  TRP  35           HE1      TRP  35  -7.695  -7.369   2.253
   78    HE3  TRP  35           HE3      TRP  35  -3.495  -4.123   2.900
   79    HZ2  TRP  35           HZ2      TRP  35  -7.555  -5.356   0.279
   80    HZ3  TRP  35           HZ3      TRP  35  -4.165  -2.842   0.908
   81    HH2  TRP  35           HH2      TRP  35  -6.152  -3.448  -0.374
   82    H    SER  36           H        SER  36  -2.583  -9.071   4.940
   83    HA   SER  36           HA       SER  36  -0.806  -9.027   7.291
   84   1HB   SER  36          2HB       SER  36  -1.135 -11.201   5.208
   85   2HB   SER  36          1HB       SER  36  -0.020 -11.252   6.574
   86    HG   SER  36           HG       SER  36  -2.655 -11.839   6.492
   87    H    VAL  37           H        VAL  37   1.490 -10.004   6.331
   88    HA   VAL  37           HA       VAL  37   2.633  -7.810   4.988
   89    HB   VAL  37           HB       VAL  37   3.737 -10.592   5.412
   90   1HG1  VAL  37          2HG1      VAL  37   5.134  -8.072   4.517
   91   2HG1  VAL  37          1HG1      VAL  37   5.944  -9.565   4.994
   92   3HG1  VAL  37          3HG1      VAL  37   4.903  -9.542   3.571
   93   1HG2  VAL  37          1HG2      VAL  37   3.240  -9.381   7.479
   94   2HG2  VAL  37          3HG2      VAL  37   4.978  -9.572   7.248
   95   3HG2  VAL  37          2HG2      VAL  37   4.212  -8.020   6.916
   96    H    ASP  38           H        ASP  38   1.594 -10.992   3.854
   97    HA   ASP  38           HA       ASP  38   2.638 -10.749   1.232
   98   1HB   ASP  38          2HB       ASP  38   2.068 -12.924   2.166
   99   2HB   ASP  38          1HB       ASP  38   0.374 -12.455   2.286
  100    H    ASP  39           H        ASP  39  -0.401  -9.796   2.704
  101    HA   ASP  39           HA       ASP  39  -1.777  -9.272   0.271
  102   1HB   ASP  39          2HB       ASP  39  -2.269  -8.267   3.079
  103   2HB   ASP  39          1HB       ASP  39  -3.373  -8.033   1.727
  104    H    VAL  40           H        VAL  40  -0.046  -7.185   2.571
  105    HA   VAL  40           HA       VAL  40  -0.565  -4.757   1.233
  106    HB   VAL  40           HB       VAL  40   1.754  -5.458   3.039
  107   1HG1  VAL  40          3HG1      VAL  40   0.684  -2.777   2.166
  108   2HG1  VAL  40          2HG1      VAL  40   1.899  -3.025   3.420
  109   3HG1  VAL  40          1HG1      VAL  40   2.251  -3.472   1.751
  110   1HG2  VAL  40          1HG2      VAL  40  -0.451  -5.793   4.074
  111   2HG2  VAL  40          3HG2      VAL  40   0.433  -4.459   4.814
  112   3HG2  VAL  40          2HG2      VAL  40  -0.877  -4.126   3.680
  113    H    ILE  41           H        ILE  41   2.225  -6.957   1.096
  114    HA   ILE  41           HA       ILE  41   3.773  -5.421  -0.676
  115    HB   ILE  41           HB       ILE  41   3.759  -8.402  -0.204
  116   1HG1  ILE  41          2HG1      ILE  41   5.641  -6.246   0.780
  117   2HG1  ILE  41          1HG1      ILE  41   4.342  -6.951   1.736
  118   1HG2  ILE  41          2HG2      ILE  41   5.753  -6.710  -1.704
  119   2HG2  ILE  41          1HG2      ILE  41   5.985  -8.400  -1.259
  120   3HG2  ILE  41          3HG2      ILE  41   4.706  -7.952  -2.386
  121   1HD1  ILE  41          3HD1      ILE  41   6.706  -8.440   0.620
  122   2HD1  ILE  41          2HD1      ILE  41   6.501  -7.923   2.294
  123   3HD1  ILE  41          1HD1      ILE  41   5.415  -9.130   1.603
  124    H    THR  42           H        THR  42   1.863  -8.353  -1.406
  125    HA   THR  42           HA       THR  42   2.157  -8.384  -4.136
  126    HB   THR  42           HB       THR  42  -0.361  -9.125  -2.638
  127    HG1  THR  42           HG1      THR  42   0.593 -11.091  -2.352
  128   1HG2  THR  42          3HG2      THR  42   0.678  -9.990  -5.340
  129   2HG2  THR  42          2HG2      THR  42  -0.740 -10.659  -4.530
  130   3HG2  THR  42          1HG2      THR  42  -0.731  -8.970  -5.042
  131    H    TRP  43           H        TRP  43  -0.590  -6.884  -2.405
  132    HA   TRP  43           HA       TRP  43  -1.837  -5.766  -4.617
  133   1HB   TRP  43          2HB       TRP  43  -2.939  -5.822  -2.463
  134   2HB   TRP  43          1HB       TRP  43  -1.728  -4.746  -1.774
  135    HD1  TRP  43           HD1      TRP  43  -4.723  -4.716  -4.179
  136    HE1  TRP  43           HE1      TRP  43  -5.552  -2.291  -4.415
  137    HE3  TRP  43           HE3      TRP  43  -1.025  -2.335  -1.575
  138    HZ2  TRP  43           HZ2      TRP  43  -4.746   0.290  -3.605
  139    HZ3  TRP  43           HZ3      TRP  43  -1.127   0.113  -1.353
  140    HH2  TRP  43           HH2      TRP  43  -2.949   1.397  -2.349
  141    H    CYS  44           H        CYS  44   0.768  -4.468  -2.618
  142    HA   CYS  44           HA       CYS  44   0.860  -1.886  -3.671
  143   1HB   CYS  44          2HB       CYS  44   2.099  -2.609  -1.658
  144   2HB   CYS  44          1HB       CYS  44   3.176  -3.560  -2.674
  145    HG   CYS  44           HG       CYS  44   4.224  -1.326  -4.012
  146    H    ILE  45           H        ILE  45   3.182  -4.466  -4.456
  147    HA   ILE  45           HA       ILE  45   4.290  -3.300  -6.709
  148    HB   ILE  45           HB       ILE  45   3.895  -6.263  -6.272
  149   1HG1  ILE  45          2HG1      ILE  45   6.231  -4.557  -5.396
  150   2HG1  ILE  45          1HG1      ILE  45   4.912  -5.017  -4.325
  151   1HG2  ILE  45          2HG2      ILE  45   5.956  -4.735  -7.853
  152   2HG2  ILE  45          1HG2      ILE  45   5.950  -6.480  -7.597
  153   3HG2  ILE  45          3HG2      ILE  45   4.649  -5.718  -8.512
  154   1HD1  ILE  45          3HD1      ILE  45   5.469  -7.369  -4.655
  155   2HD1  ILE  45          2HD1      ILE  45   6.792  -6.904  -5.724
  156   3HD1  ILE  45          1HD1      ILE  45   6.837  -6.457  -4.018
  157    H    SER  46           H        SER  46   1.257  -4.949  -6.355
  158    HA   SER  46           HA       SER  46   0.804  -5.695  -9.027
  159   1HB   SER  46          2HB       SER  46  -0.539  -6.589  -7.199
  160   2HB   SER  46          1HB       SER  46  -1.185  -4.984  -6.861
  161    HG   SER  46           HG       SER  46  -2.443  -5.103  -8.584
  162    H    THR  47           H        THR  47   0.982  -2.597  -7.664
  163    HA   THR  47           HA       THR  47   0.256  -1.360 -10.131
  164    HB   THR  47           HB       THR  47  -2.001  -1.747  -9.331
  165    HG1  THR  47           HG1      THR  47  -1.725   0.969  -8.762
  166   1HG2  THR  47          3HG2      THR  47  -1.125  -0.253  -6.860
  167   2HG2  THR  47          2HG2      THR  47  -2.794  -0.680  -7.242
  168   3HG2  THR  47          1HG2      THR  47  -1.602  -1.948  -6.956
  169    H    LEU  48           H        LEU  48   2.427  -1.364  -8.029
  170    HA   LEU  48           HA       LEU  48   2.314   1.376  -7.043
  171   1HB   LEU  48          2HB       LEU  48   3.247  -0.713  -5.798
  172   2HB   LEU  48          1HB       LEU  48   4.684  -0.439  -6.760
  173    HG   LEU  48           HG       LEU  48   4.867   0.524  -4.507
  174   1HD1  LEU  48          2HD1      LEU  48   6.091   1.533  -6.386
  175   2HD1  LEU  48          1HD1      LEU  48   4.746   2.645  -6.643
  176   3HD1  LEU  48          3HD1      LEU  48   5.670   2.710  -5.142
  177   1HD2  LEU  48          1HD2      LEU  48   2.504   1.039  -4.155
  178   2HD2  LEU  48          3HD2      LEU  48   3.524   2.448  -3.868
  179   3HD2  LEU  48          2HD2      LEU  48   2.602   2.318  -5.365
  180    H    GLU  49           H        GLU  49   4.958  -0.436  -8.615
  181    HA   GLU  49           HA       GLU  49   5.245   1.726 -10.555
  182   1HB   GLU  49          2HB       GLU  49   6.684   2.366  -8.682
  183   2HB   GLU  49          1HB       GLU  49   7.500   0.811  -8.766
  184   1HG   GLU  49          2HG       GLU  49   8.817   2.584  -9.795
  185   2HG   GLU  49          1HG       GLU  49   8.358   1.349 -10.967
  186    H    VAL  50           H        VAL  50   6.914  -1.227  -9.448
  187    HA   VAL  50           HA       VAL  50   7.111  -2.061 -12.269
  188    HB   VAL  50           HB       VAL  50   9.119  -3.292 -11.691
  189   1HG1  VAL  50          3HG1      VAL  50   9.294  -0.899 -12.301
  190   2HG1  VAL  50          2HG1      VAL  50   9.281  -0.490 -10.584
  191   3HG1  VAL  50          1HG1      VAL  50  10.607  -1.441 -11.255
  192   1HG2  VAL  50          1HG2      VAL  50   8.679  -2.260  -8.889
  193   2HG2  VAL  50          3HG2      VAL  50   8.558  -3.938  -9.419
  194   3HG2  VAL  50          2HG2      VAL  50  10.116  -3.114  -9.448
  195    H    GLU  51           H        GLU  51   7.966  -4.655 -11.843
  196    HA   GLU  51           HA       GLU  51   5.494  -5.930 -10.921
  197   1HB   GLU  51          2HB       GLU  51   6.363  -7.909 -12.169
  198   2HB   GLU  51          1HB       GLU  51   6.123  -6.491 -13.181
  199   1HG   GLU  51          2HG       GLU  51   8.482  -6.027 -13.176
  200   2HG   GLU  51          1HG       GLU  51   8.773  -7.337 -12.034
  201    H    GLU  52           H        GLU  52   6.231  -8.436 -10.275
  202    HA   GLU  52           HA       GLU  52   7.542  -8.035  -7.744
  203   1HB   GLU  52          2HB       GLU  52   5.604  -9.542  -7.967
  204   2HB   GLU  52          1HB       GLU  52   6.545 -10.590  -9.018
  205   1HG   GLU  52          2HG       GLU  52   8.121 -10.983  -7.161
  206   2HG   GLU  52          1HG       GLU  52   7.092 -10.004  -6.117
  207    H    THR  53           H        THR  53   9.564  -7.324  -8.760
  208    HA   THR  53           HA       THR  53  11.395  -9.586  -9.025
  209    HB   THR  53           HB       THR  53  12.578  -8.563 -10.908
  210    HG1  THR  53           HG1      THR  53  10.434  -6.679 -10.912
  211   1HG2  THR  53          1HG2      THR  53   9.629  -8.927 -11.459
  212   2HG2  THR  53          3HG2      THR  53  10.914  -8.973 -12.667
  213   3HG2  THR  53          2HG2      THR  53  10.842 -10.207 -11.408
  214    H    ASP  54           H        ASP  54  11.018  -6.085  -8.833
  215    HA   ASP  54           HA       ASP  54  13.589  -5.442  -7.929
  216   1HB   ASP  54          2HB       ASP  54  12.045  -3.782  -8.837
  217   2HB   ASP  54          1HB       ASP  54  10.952  -4.026  -7.480
  218    HA   PRO  55           HA       PRO  55  13.765  -6.849  -3.731
  219   1HB   PRO  55          2HB       PRO  55  15.098  -4.262  -3.138
  220   2HB   PRO  55          1HB       PRO  55  15.657  -5.913  -2.845
  221   1HG   PRO  55          2HG       PRO  55  16.701  -4.464  -4.816
  222   2HG   PRO  55          1HG       PRO  55  16.378  -6.196  -5.033
  223   1HD   PRO  55          2HD       PRO  55  14.819  -3.838  -6.017
  224   2HD   PRO  55          1HD       PRO  55  15.189  -5.367  -6.840
  225    H    LEU  56           H        LEU  56  11.919  -4.251  -4.694
  226    HA   LEU  56           HA       LEU  56  11.229  -2.814  -2.468
  227   1HB   LEU  56          2HB       LEU  56  10.326  -2.444  -4.734
  228   2HB   LEU  56          1HB       LEU  56   9.334  -3.880  -4.564
  229    HG   LEU  56           HG       LEU  56   8.311  -2.679  -2.518
  230   1HD1  LEU  56          1HD1      LEU  56   9.542  -0.338  -3.963
  231   2HD1  LEU  56          3HD1      LEU  56   8.350  -0.234  -2.669
  232   3HD1  LEU  56          2HD1      LEU  56   9.952  -0.897  -2.341
  233   1HD2  LEU  56          1HD2      LEU  56   7.815  -1.693  -5.324
  234   2HD2  LEU  56          3HD2      LEU  56   7.093  -3.114  -4.570
  235   3HD2  LEU  56          2HD2      LEU  56   6.711  -1.504  -3.961
  236    H    CYS  57           H        CYS  57  10.078  -6.030  -3.388
  237    HA   CYS  57           HA       CYS  57   8.201  -6.327  -1.298
  238   1HB   CYS  57          2HB       CYS  57   7.982  -7.773  -3.163
  239   2HB   CYS  57          1HB       CYS  57   9.656  -8.303  -3.048
  240    HG   CYS  57           HG       CYS  57   9.286  -9.808  -0.742
  241    H    GLN  58           H        GLN  58  11.646  -6.947  -1.517
  242    HA   GLN  58           HA       GLN  58  11.939  -8.547   0.768
  243   1HB   GLN  58          2HB       GLN  58  13.905  -6.585  -0.425
  244   2HB   GLN  58          1HB       GLN  58  14.301  -7.854   0.726
  245   1HG   GLN  58          2HG       GLN  58  13.196  -8.288  -2.040
  246   2HG   GLN  58          1HG       GLN  58  14.885  -8.464  -1.568
  247   1HE2  GLN  58          1HE2      GLN  58  13.046 -10.426  -2.694
  248   2HE2  GLN  58          2HE2      GLN  58  12.993 -11.735  -1.566
  249    H    ARG  59           H        ARG  59  12.426  -5.025   0.419
  250    HA   ARG  59           HA       ARG  59  12.957  -4.472   3.095
  251   1HB   ARG  59          2HB       ARG  59  11.564  -2.701   1.084
  252   2HB   ARG  59          1HB       ARG  59  12.298  -2.158   2.582
  253   1HG   ARG  59          2HG       ARG  59  13.745  -3.432   0.272
  254   2HG   ARG  59          1HG       ARG  59  13.710  -1.708   0.649
  255   1HD   ARG  59          2HD       ARG  59  14.820  -3.885   2.414
  256   2HD   ARG  59          1HD       ARG  59  15.760  -2.764   1.437
  257    HE   ARG  59           HE       ARG  59  14.289  -1.121   2.992
  258   1HH1  ARG  59          1HH1      ARG  59  16.345  -3.847   3.689
  259   2HH1  ARG  59          2HH1      ARG  59  16.810  -3.259   5.250
  260   1HH2  ARG  59          1HH2      ARG  59  14.897  -0.341   5.046
  261   2HH2  ARG  59          2HH2      ARG  59  15.986  -1.270   6.022
  262    H    LEU  60           H        LEU  60   9.835  -4.345   1.383
  263    HA   LEU  60           HA       LEU  60   8.266  -3.580   3.564
  264   1HB   LEU  60          2HB       LEU  60   7.736  -4.951   0.974
  265   2HB   LEU  60          1HB       LEU  60   6.471  -4.970   2.187
  266    HG   LEU  60           HG       LEU  60   6.489  -2.505   2.235
  267   1HD1  LEU  60          2HD1      LEU  60   8.831  -2.177   1.575
  268   2HD1  LEU  60          1HD1      LEU  60   8.436  -2.730  -0.052
  269   3HD1  LEU  60          3HD1      LEU  60   7.719  -1.246   0.572
  270   1HD2  LEU  60          1HD2      LEU  60   6.132  -3.727  -0.498
  271   2HD2  LEU  60          3HD2      LEU  60   4.922  -3.648   0.783
  272   3HD2  LEU  60          2HD2      LEU  60   5.491  -2.166   0.014
  273    H    ARG  61           H        ARG  61   9.397  -6.747   2.549
  274    HA   ARG  61           HA       ARG  61   7.760  -8.231   4.349
  275   1HB   ARG  61          2HB       ARG  61   8.764  -9.194   2.295
  276   2HB   ARG  61          1HB       ARG  61  10.355  -9.046   3.029
  277   1HG   ARG  61          2HG       ARG  61   9.683 -10.595   4.799
  278   2HG   ARG  61          1HG       ARG  61   8.088 -10.744   4.055
  279   1HD   ARG  61          2HD       ARG  61   9.175 -11.602   2.003
  280   2HD   ARG  61          1HD       ARG  61  10.729 -11.540   2.833
  281    HE   ARG  61           HE       ARG  61   8.814 -13.069   4.286
  282   1HH1  ARG  61          1HH1      ARG  61  11.008 -13.184   1.579
  283   2HH1  ARG  61          2HH1      ARG  61  11.205 -14.904   1.648
  284   1HH2  ARG  61          1HH2      ARG  61   9.068 -15.334   4.382
  285   2HH2  ARG  61          2HH2      ARG  61  10.104 -16.125   3.241
  286    H    GLU  62           H        GLU  62  10.880  -6.684   4.567
  287    HA   GLU  62           HA       GLU  62  11.780  -8.007   6.911
  288   1HB   GLU  62          2HB       GLU  62  12.523  -5.355   5.676
  289   2HB   GLU  62          1HB       GLU  62  13.315  -6.005   7.105
  290   1HG   GLU  62          2HG       GLU  62  14.073  -7.927   5.851
  291   2HG   GLU  62          1HG       GLU  62  13.209  -7.362   4.423
  292    H    ASN  63           H        ASN  63  10.163  -4.891   6.374
  293    HA   ASN  63           HA       ASN  63   9.677  -4.702   9.263
  294   1HB   ASN  63          2HB       ASN  63   9.335  -2.572   7.140
  295   2HB   ASN  63          1HB       ASN  63   9.188  -2.343   8.881
  296   1HD2  ASN  63          1HD2      ASN  63  11.361  -2.840   6.225
  297   2HD2  ASN  63          2HD2      ASN  63  12.815  -2.449   7.073
  298    H    ASP  64           H        ASP  64   7.973  -6.204   9.339
  299    HA   ASP  64           HA       ASP  64   5.715  -6.195   7.695
  300   1HB   ASP  64          2HB       ASP  64   4.604  -7.413   9.581
  301   2HB   ASP  64          1HB       ASP  64   6.161  -8.086   9.113
  302    H    ILE  65           H        ILE  65   4.429  -4.515   7.350
  303    HA   ILE  65           HA       ILE  65   3.490  -2.975   9.679
  304    HB   ILE  65           HB       ILE  65   4.141  -1.894   6.936
  305   1HG1  ILE  65          2HG1      ILE  65   6.104  -2.248   8.375
  306   2HG1  ILE  65          1HG1      ILE  65   5.805  -0.534   8.112
  307   1HG2  ILE  65          1HG2      ILE  65   2.910  -0.513   9.312
  308   2HG2  ILE  65          3HG2      ILE  65   3.495   0.299   7.860
  309   3HG2  ILE  65          2HG2      ILE  65   2.142  -0.826   7.756
  310   1HD1  ILE  65          1HD1      ILE  65   4.765  -0.385  10.319
  311   2HD1  ILE  65          3HD1      ILE  65   5.084  -2.101  10.578
  312   3HD1  ILE  65          2HD1      ILE  65   6.428  -0.970  10.412
  313    H    VAL  66           H        VAL  66   1.410  -3.364   9.980
  314    HA   VAL  66           HA       VAL  66  -0.291  -4.548   8.069
  315    HB   VAL  66           HB       VAL  66  -0.589  -4.700  10.538
  316   1HG1  VAL  66          3HG1      VAL  66  -0.176  -2.367  11.104
  317   2HG1  VAL  66          2HG1      VAL  66  -1.651  -1.893  10.262
  318   3HG1  VAL  66          1HG1      VAL  66  -1.746  -2.894  11.711
  319   1HG2  VAL  66          2HG2      VAL  66  -2.382  -5.318   8.974
  320   2HG2  VAL  66          1HG2      VAL  66  -3.010  -4.691  10.498
  321   3HG2  VAL  66          3HG2      VAL  66  -3.005  -3.671   9.060
  322    H    GLY  67           H        GLY  67  -2.356  -3.607   7.304
  323   1HA   GLY  67          1HA       GLY  67  -3.430  -2.084   5.963
  324   2HA   GLY  67          2HA       GLY  67  -1.892  -1.251   5.810
  325    H    ASP  68           H        ASP  68  -2.970  -1.691   9.016
  326    HA   ASP  68           HA       ASP  68  -4.574   0.677   9.197
  327   1HB   ASP  68          2HB       ASP  68  -4.868  -1.275  10.704
  328   2HB   ASP  68          1HB       ASP  68  -3.290  -0.937  11.412
  329    H    LEU  69           H        LEU  69  -1.262   0.127   9.026
  330    HA   LEU  69           HA       LEU  69  -0.594   2.563  10.520
  331   1HB   LEU  69          2HB       LEU  69   0.922   0.140   9.676
  332   2HB   LEU  69          1HB       LEU  69   1.803   1.639   9.888
  333    HG   LEU  69           HG       LEU  69   1.349   1.715  12.196
  334   1HD1  LEU  69          2HD1      LEU  69  -0.717  -0.419  11.716
  335   2HD1  LEU  69          1HD1      LEU  69  -0.187   0.113  13.311
  336   3HD1  LEU  69          3HD1      LEU  69  -0.998   1.243  12.227
  337   1HD2  LEU  69          2HD2      LEU  69   3.003   0.018  11.484
  338   2HD2  LEU  69          1HD2      LEU  69   2.224  -0.368  13.018
  339   3HD2  LEU  69          3HD2      LEU  69   1.730  -1.200  11.544
  340    H    LEU  70           H        LEU  70  -1.111   1.458   7.369
  341    HA   LEU  70           HA       LEU  70   0.779   2.834   5.871
  342   1HB   LEU  70          2HB       LEU  70  -2.095   2.234   5.188
  343   2HB   LEU  70          1HB       LEU  70  -0.890   2.775   4.036
  344    HG   LEU  70           HG       LEU  70  -0.789   0.186   5.589
  345   1HD1  LEU  70          3HD1      LEU  70  -2.535   0.195   3.884
  346   2HD1  LEU  70          2HD1      LEU  70  -1.360   0.715   2.676
  347   3HD1  LEU  70          1HD1      LEU  70  -1.206  -0.871   3.430
  348   1HD2  LEU  70          1HD2      LEU  70   1.027   1.281   3.442
  349   2HD2  LEU  70          3HD2      LEU  70   1.439   1.037   5.140
  350   3HD2  LEU  70          2HD2      LEU  70   1.098  -0.352   4.106
  351    HA   PRO  71           HA       PRO  71  -2.047   6.696   5.784
  352   1HB   PRO  71          2HB       PRO  71  -4.192   6.874   7.376
  353   2HB   PRO  71          1HB       PRO  71  -4.262   6.008   5.836
  354   1HG   PRO  71          2HG       PRO  71  -3.941   4.917   8.607
  355   2HG   PRO  71          1HG       PRO  71  -4.981   4.338   7.294
  356   1HD   PRO  71          2HD       PRO  71  -2.557   3.228   7.903
  357   2HD   PRO  71          1HD       PRO  71  -3.270   3.197   6.278
  358    H    GLU  72           H        GLU  72  -1.207   5.116   8.721
  359    HA   GLU  72           HA       GLU  72  -1.208   7.485  10.360
  360   1HB   GLU  72          2HB       GLU  72  -1.639   5.303  11.360
  361   2HB   GLU  72          1HB       GLU  72  -0.060   4.731  10.842
  362   1HG   GLU  72          2HG       GLU  72   1.017   6.357  12.303
  363   2HG   GLU  72          1HG       GLU  72  -0.563   6.949  12.815
  364    H    LEU  73           H        LEU  73   1.076   5.772   8.361
  365    HA   LEU  73           HA       LEU  73   3.362   7.183   9.446
  366   1HB   LEU  73          2HB       LEU  73   3.116   5.322   7.082
  367   2HB   LEU  73          1HB       LEU  73   4.624   5.991   7.675
  368    HG   LEU  73           HG       LEU  73   2.810   4.182   9.273
  369   1HD1  LEU  73          2HD1      LEU  73   5.380   3.575   7.818
  370   2HD1  LEU  73          1HD1      LEU  73   4.531   2.474   8.902
  371   3HD1  LEU  73          3HD1      LEU  73   3.774   2.985   7.394
  372   1HD2  LEU  73          3HD2      LEU  73   5.597   5.211   9.805
  373   2HD2  LEU  73          2HD2      LEU  73   4.130   5.672  10.667
  374   3HD2  LEU  73          1HD2      LEU  73   4.739   4.021  10.785
  375    H    CYS  74           H        CYS  74   4.892   8.224   7.813
  376    HA   CYS  74           HA       CYS  74   3.323   9.981   6.043
  377   1HB   CYS  74          2HB       CYS  74   5.880  10.561   7.553
  378   2HB   CYS  74          1HB       CYS  74   5.117  11.666   6.414
  379    HG   CYS  74           HG       CYS  74   4.043  12.874   8.431
  380    H    LEU  75           H        LEU  75   5.211  11.152   4.547
  381    HA   LEU  75           HA       LEU  75   5.854   9.172   2.640
  382   1HB   LEU  75          2HB       LEU  75   6.581  12.067   2.947
  383   2HB   LEU  75          1HB       LEU  75   7.285  11.102   1.666
  384    HG   LEU  75           HG       LEU  75   5.389  12.372   0.834
  385   1HD1  LEU  75          1HD1      LEU  75   5.827  10.189  -0.153
  386   2HD1  LEU  75          3HD1      LEU  75   4.767   9.430   1.034
  387   3HD1  LEU  75          2HD1      LEU  75   4.102  10.552  -0.153
  388   1HD2  LEU  75          1HD2      LEU  75   3.768  10.885   2.898
  389   2HD2  LEU  75          3HD2      LEU  75   4.134  12.611   2.904
  390   3HD2  LEU  75          2HD2      LEU  75   3.117  11.929   1.635
  391    H    GLN  76           H        GLN  76   7.452  10.162   5.464
  392    HA   GLN  76           HA       GLN  76  10.143   9.728   4.687
  393   1HB   GLN  76          2HB       GLN  76   9.524  10.996   6.702
  394   2HB   GLN  76          1HB       GLN  76   8.882   9.529   7.427
  395   1HG   GLN  76          2HG       GLN  76  11.065  10.025   8.324
  396   2HG   GLN  76          1HG       GLN  76  11.117   8.534   7.385
  397   1HE2  GLN  76          1HE2      GLN  76  13.326   8.687   7.047
  398   2HE2  GLN  76          2HE2      GLN  76  14.021   9.847   5.973
  399    H    ASP  77           H        ASP  77   7.850   7.666   6.479
  400    HA   ASP  77           HA       ASP  77   9.550   5.415   6.589
  401   1HB   ASP  77          2HB       ASP  77   6.531   5.562   6.757
  402   2HB   ASP  77          1HB       ASP  77   7.507   4.165   7.206
  403    H    CYS  78           H        CYS  78   7.236   6.545   4.218
  404    HA   CYS  78           HA       CYS  78   7.008   4.163   2.720
  405   1HB   CYS  78          2HB       CYS  78   6.753   7.015   1.741
  406   2HB   CYS  78          1HB       CYS  78   6.118   5.580   0.945
  407    HG   CYS  78           HG       CYS  78   4.570   5.090   3.472
  408    H    GLN  79           H        GLN  79   9.208   6.927   2.482
  409    HA   GLN  79           HA       GLN  79  10.533   6.051   0.137
  410   1HB   GLN  79          2HB       GLN  79  10.544   8.389   1.166
  411   2HB   GLN  79          1HB       GLN  79  11.755   7.778   2.285
  412   1HG   GLN  79          2HG       GLN  79  13.239   7.263   0.437
  413   2HG   GLN  79          1HG       GLN  79  12.017   7.804  -0.714
  414   1HE2  GLN  79          1HE2      GLN  79  11.571  10.007  -0.901
  415   2HE2  GLN  79          2HE2      GLN  79  12.653  11.212  -0.300
  416    H    ASP  80           H        ASP  80  11.010   5.465   3.559
  417    HA   ASP  80           HA       ASP  80  13.558   4.263   3.414
  418   1HB   ASP  80          2HB       ASP  80  12.521   5.037   5.525
  419   2HB   ASP  80          1HB       ASP  80  11.327   3.746   5.397
  420    H    LEU  81           H        LEU  81  10.303   3.060   2.993
  421    HA   LEU  81           HA       LEU  81  10.940   0.302   2.973
  422   1HB   LEU  81          2HB       LEU  81   8.619   2.024   2.474
  423   2HB   LEU  81          1HB       LEU  81   8.620   0.544   1.547
  424    HG   LEU  81           HG       LEU  81   8.538  -0.806   3.483
  425   1HD1  LEU  81          1HD1      LEU  81   9.190   1.679   5.062
  426   2HD1  LEU  81          3HD1      LEU  81   8.742   0.125   5.765
  427   3HD1  LEU  81          2HD1      LEU  81  10.227   0.272   4.826
  428   1HD2  LEU  81          1HD2      LEU  81   6.429   0.319   2.922
  429   2HD2  LEU  81          3HD2      LEU  81   6.566  -0.016   4.648
  430   3HD2  LEU  81          2HD2      LEU  81   6.839   1.618   4.043
  431    H    CYS  82           H        CYS  82  11.468   2.788   0.750
  432    HA   CYS  82           HA       CYS  82  11.641   0.906  -1.504
  433   1HB   CYS  82          2HB       CYS  82  10.230   2.910  -1.865
  434   2HB   CYS  82          1HB       CYS  82  11.625   3.933  -1.542
  435    HG   CYS  82           HG       CYS  82  12.912   3.535  -3.834
  436    H    ASP  83           H        ASP  83  13.492   1.308  -3.017
  437    HA   ASP  83           HA       ASP  83  15.933   0.988  -1.723
  438   1HB   ASP  83          2HB       ASP  83  15.393   1.892  -4.560
  439   2HB   ASP  83          1HB       ASP  83  16.955   1.342  -3.960
  440    H    GLY  84           H        GLY  84  14.335   3.895  -2.851
  441   1HA   GLY  84          1HA       GLY  84  16.697   5.509  -2.219
  442   2HA   GLY  84          2HA       GLY  84  15.246   5.776  -1.266
  443    H    ASP  85           H        ASP  85  13.276   5.585  -3.187
  444    HA   ASP  85           HA       ASP  85  13.912   7.891  -4.907
  445   1HB   ASP  85          2HB       ASP  85  13.701   5.775  -6.207
  446   2HB   ASP  85          1HB       ASP  85  12.051   5.613  -5.615
  447    H    LEU  86           H        LEU  86  12.739   9.616  -4.431
  448    HA   LEU  86           HA       LEU  86  10.645   9.590  -2.545
  449   1HB   LEU  86          2HB       LEU  86  12.021  11.553  -2.880
  450   2HB   LEU  86          1HB       LEU  86  11.465  11.703  -4.535
  451    HG   LEU  86           HG       LEU  86   9.185  12.181  -3.712
  452   1HD1  LEU  86          1HD1      LEU  86  10.487  12.116  -0.993
  453   2HD1  LEU  86          3HD1      LEU  86   8.851  12.680  -1.335
  454   3HD1  LEU  86          2HD1      LEU  86   9.273  10.988  -1.601
  455   1HD2  LEU  86          3HD2      LEU  86  10.735  14.007  -4.212
  456   2HD2  LEU  86          2HD2      LEU  86   9.650  14.425  -2.887
  457   3HD2  LEU  86          1HD2      LEU  86  11.318  13.968  -2.548
  458    H    ASN  87           H        ASN  87  10.600   9.976  -6.081
  459    HA   ASN  87           HA       ASN  87   7.909  10.393  -6.484
  460   1HB   ASN  87          2HB       ASN  87   9.920   8.888  -8.153
  461   2HB   ASN  87          1HB       ASN  87   8.277   9.199  -8.703
  462   1HD2  ASN  87          1HD2      ASN  87   8.947  10.474 -10.406
  463   2HD2  ASN  87          2HD2      ASN  87   9.596  12.059 -10.184
  464    H    LYS  88           H        LYS  88   9.597   7.318  -6.050
  465    HA   LYS  88           HA       LYS  88   7.432   5.609  -6.543
  466   1HB   LYS  88          2HB       LYS  88   9.909   5.031  -6.278
  467   2HB   LYS  88          1HB       LYS  88   9.617   5.055  -4.545
  468   1HG   LYS  88          2HG       LYS  88   8.709   3.026  -4.579
  469   2HG   LYS  88          1HG       LYS  88   7.669   3.434  -5.947
  470   1HD   LYS  88          2HD       LYS  88   9.578   3.077  -7.467
  471   2HD   LYS  88          1HD       LYS  88  10.564   2.594  -6.087
  472   1HE   LYS  88          2HE       LYS  88   9.138   0.700  -5.671
  473   2HE   LYS  88          1HE       LYS  88   8.010   1.226  -6.918
  474   1HZ   LYS  88          3HZ       LYS  88   9.777   0.906  -8.561
  475   2HZ   LYS  88          2HZ       LYS  88  10.810   0.336  -7.350
  476   3HZ   LYS  88          1HZ       LYS  88   9.413  -0.531  -7.744
  477    H    ALA  89           H        ALA  89   8.504   7.255  -3.617
  478    HA   ALA  89           HA       ALA  89   6.624   6.006  -1.879
  479   1HB   ALA  89          2HB       ALA  89   8.691   7.002  -1.038
  480   2HB   ALA  89          1HB       ALA  89   8.130   8.598  -1.535
  481   3HB   ALA  89          3HB       ALA  89   7.277   7.719  -0.266
  482    H    ILE  90           H        ILE  90   6.522   8.736  -4.031
  483    HA   ILE  90           HA       ILE  90   4.324  10.097  -2.905
  484    HB   ILE  90           HB       ILE  90   5.240   9.995  -5.786
  485   1HG1  ILE  90          2HG1      ILE  90   5.714  12.071  -3.633
  486   2HG1  ILE  90          1HG1      ILE  90   6.898  10.882  -4.164
  487   1HG2  ILE  90          3HG2      ILE  90   3.319  11.889  -4.435
  488   2HG2  ILE  90          2HG2      ILE  90   3.942  12.063  -6.075
  489   3HG2  ILE  90          1HG2      ILE  90   2.918  10.688  -5.663
  490   1HD1  ILE  90          1HD1      ILE  90   6.840  11.870  -6.414
  491   2HD1  ILE  90          3HD1      ILE  90   5.711  13.090  -5.826
  492   3HD1  ILE  90          2HD1      ILE  90   7.349  13.020  -5.177
  493    H    LYS  91           H        LYS  91   4.385   7.978  -5.785
  494    HA   LYS  91           HA       LYS  91   1.617   7.749  -6.060
  495   1HB   LYS  91          2HB       LYS  91   3.927   6.050  -6.937
  496   2HB   LYS  91          1HB       LYS  91   2.281   5.488  -7.193
  497   1HG   LYS  91          2HG       LYS  91   3.344   8.126  -8.183
  498   2HG   LYS  91          1HG       LYS  91   3.271   6.650  -9.148
  499   1HD   LYS  91          2HD       LYS  91   0.846   6.579  -8.876
  500   2HD   LYS  91          1HD       LYS  91   0.907   8.033  -7.878
  501   1HE   LYS  91          2HE       LYS  91   0.237   8.569 -10.156
  502   2HE   LYS  91          1HE       LYS  91   1.797   9.298  -9.771
  503   1HZ   LYS  91          2HZ       LYS  91   2.877   7.461 -10.943
  504   2HZ   LYS  91          1HZ       LYS  91   1.367   6.816 -11.347
  505   3HZ   LYS  91          3HZ       LYS  91   1.837   8.320 -11.963
  506    H    PHE  92           H        PHE  92   3.874   6.003  -4.035
  507    HA   PHE  92           HA       PHE  92   2.245   3.855  -3.276
  508   1HB   PHE  92          2HB       PHE  92   4.622   3.893  -2.786
  509   2HB   PHE  92          1HB       PHE  92   4.426   5.304  -1.757
  510    HD1  PHE  92           HD1      PHE  92   3.381   1.747  -2.070
  511    HD2  PHE  92           HD2      PHE  92   4.128   5.042   0.516
  512    HE1  PHE  92           HE1      PHE  92   3.102   0.273  -0.121
  513    HE2  PHE  92           HE2      PHE  92   3.848   3.574   2.472
  514    HZ   PHE  92           HZ       PHE  92   3.335   1.187   2.155
  515    H    LYS  93           H        LYS  93   2.919   6.795  -1.377
  516    HA   LYS  93           HA       LYS  93   0.917   6.411   0.530
  517   1HB   LYS  93          2HB       LYS  93   2.837   7.994   0.720
  518   2HB   LYS  93          1HB       LYS  93   2.029   9.055  -0.426
  519   1HG   LYS  93          2HG       LYS  93   1.610   9.905   1.744
  520   2HG   LYS  93          1HG       LYS  93   0.108   9.175   1.175
  521   1HD   LYS  93          2HD       LYS  93   0.585   7.164   2.477
  522   2HD   LYS  93          1HD       LYS  93   2.103   7.874   3.029
  523   1HE   LYS  93          2HE       LYS  93  -0.665   8.937   3.577
  524   2HE   LYS  93          1HE       LYS  93   0.371   8.094   4.728
  525   1HZ   LYS  93          3HZ       LYS  93   1.973   9.898   4.543
  526   2HZ   LYS  93          2HZ       LYS  93   0.968  10.708   3.450
  527   3HZ   LYS  93          1HZ       LYS  93   0.467  10.481   5.049
  528    H    ILE  94           H        ILE  94   0.744   7.644  -2.708
  529    HA   ILE  94           HA       ILE  94  -1.705   9.064  -2.448
  530    HB   ILE  94           HB       ILE  94  -0.172   8.011  -4.800
  531   1HG1  ILE  94          2HG1      ILE  94  -1.059  10.804  -4.047
  532   2HG1  ILE  94          1HG1      ILE  94   0.507  10.114  -3.627
  533   1HG2  ILE  94          2HG2      ILE  94  -2.894   9.303  -4.895
  534   2HG2  ILE  94          1HG2      ILE  94  -1.852   9.025  -6.290
  535   3HG2  ILE  94          3HG2      ILE  94  -2.496   7.656  -5.382
  536   1HD1  ILE  94          1HD1      ILE  94   1.030   9.884  -6.005
  537   2HD1  ILE  94          3HD1      ILE  94  -0.531  10.598  -6.409
  538   3HD1  ILE  94          2HD1      ILE  94   0.683  11.556  -5.561
  539    H    LEU  95           H        LEU  95  -1.113   6.022  -4.231
  540    HA   LEU  95           HA       LEU  95  -3.737   5.294  -4.602
  541   1HB   LEU  95          2HB       LEU  95  -1.402   3.448  -4.101
  542   2HB   LEU  95          1HB       LEU  95  -2.936   2.970  -4.803
  543    HG   LEU  95           HG       LEU  95  -0.879   4.810  -6.025
  544   1HD1  LEU  95          3HD1      LEU  95  -0.356   2.428  -6.159
  545   2HD1  LEU  95          2HD1      LEU  95  -1.935   2.118  -6.879
  546   3HD1  LEU  95          1HD1      LEU  95  -0.747   3.090  -7.747
  547   1HD2  LEU  95          3HD2      LEU  95  -3.611   4.053  -7.057
  548   2HD2  LEU  95          2HD2      LEU  95  -3.097   5.660  -6.538
  549   3HD2  LEU  95          1HD2      LEU  95  -2.376   4.921  -7.968
  550    H    ILE  96           H        ILE  96  -1.835   5.113  -1.704
  551    HA   ILE  96           HA       ILE  96  -3.591   3.315  -0.345
  552    HB   ILE  96           HB       ILE  96  -1.462   5.166   0.724
  553   1HG1  ILE  96          2HG1      ILE  96  -1.432   2.162   0.404
  554   2HG1  ILE  96          1HG1      ILE  96  -0.771   3.272  -0.791
  555   1HG2  ILE  96          1HG2      ILE  96  -2.986   2.983   2.144
  556   2HG2  ILE  96          3HG2      ILE  96  -1.606   3.864   2.799
  557   3HG2  ILE  96          2HG2      ILE  96  -3.112   4.715   2.454
  558   1HD1  ILE  96          1HD1      ILE  96   0.778   4.129   0.928
  559   2HD1  ILE  96          3HD1      ILE  96   0.159   2.912   2.045
  560   3HD1  ILE  96          2HD1      ILE  96   0.998   2.416   0.574
  561    H    ASN  97           H        ASN  97  -3.228   6.818  -0.513
  562    HA   ASN  97           HA       ASN  97  -5.001   7.509   1.544
  563   1HB   ASN  97          2HB       ASN  97  -3.461   9.108   0.431
  564   2HB   ASN  97          1HB       ASN  97  -4.465   9.036  -1.015
  565   1HD2  ASN  97          1HD2      ASN  97  -4.204  10.189   2.244
  566   2HD2  ASN  97          2HD2      ASN  97  -5.553  11.267   2.189
  567    H    LYS  98           H        LYS  98  -5.566   7.000  -1.924
  568    HA   LYS  98           HA       LYS  98  -8.340   7.571  -1.842
  569   1HB   LYS  98          2HB       LYS  98  -6.628   6.051  -3.806
  570   2HB   LYS  98          1HB       LYS  98  -8.357   6.256  -4.033
  571   1HG   LYS  98          2HG       LYS  98  -7.283   7.918  -5.325
  572   2HG   LYS  98          1HG       LYS  98  -7.985   8.732  -3.928
  573   1HD   LYS  98          2HD       LYS  98  -5.870   8.930  -2.869
  574   2HD   LYS  98          1HD       LYS  98  -5.116   7.826  -4.022
  575   1HE   LYS  98          2HE       LYS  98  -4.552  10.189  -4.452
  576   2HE   LYS  98          1HE       LYS  98  -5.391   9.430  -5.804
  577   1HZ   LYS  98          1HZ       LYS  98  -7.444  10.476  -5.056
  578   2HZ   LYS  98          3HZ       LYS  98  -6.625  11.215  -3.774
  579   3HZ   LYS  98          2HZ       LYS  98  -6.255  11.637  -5.369
  580    H    MET  99           H        MET  99  -6.471   4.580  -1.601
  581    HA   MET  99           HA       MET  99  -8.621   2.779  -1.599
  582   1HB   MET  99          2HB       MET  99  -6.265   2.108  -1.882
  583   2HB   MET  99          1HB       MET  99  -5.951   2.522  -0.202
  584   1HG   MET  99          2HG       MET  99  -6.200   0.138  -0.444
  585   2HG   MET  99          1HG       MET  99  -7.529   0.793   0.512
  586   1HE   MET  99          2HE       MET  99  -8.699  -1.523   0.180
  587   2HE   MET  99          1HE       MET  99  -9.243  -2.166  -1.370
  588   3HE   MET  99          3HE       MET  99  -7.526  -2.174  -0.966
  589    H    ARG 100           H        ARG 100  -7.383   4.893   0.848
  590    HA   ARG 100           HA       ARG 100  -8.619   3.554   3.066
  591   1HB   ARG 100          2HB       ARG 100  -6.587   5.170   3.067
  592   2HB   ARG 100          1HB       ARG 100  -7.796   6.445   3.063
  593   1HG   ARG 100          2HG       ARG 100  -7.846   4.265   5.116
  594   2HG   ARG 100          1HG       ARG 100  -6.820   5.688   5.307
  595   1HD   ARG 100          2HD       ARG 100  -8.844   7.107   5.041
  596   2HD   ARG 100          1HD       ARG 100  -9.821   5.640   5.012
  597    HE   ARG 100           HE       ARG 100  -8.545   5.325   7.313
  598   1HH1  ARG 100          1HH1      ARG 100 -10.074   8.158   5.979
  599   2HH1  ARG 100          2HH1      ARG 100 -10.480   8.823   7.526
  600   1HH2  ARG 100          1HH2      ARG 100  -9.076   6.192   9.350
  601   2HH2  ARG 100          2HH2      ARG 100  -9.916   7.704   9.442
  602    H    ASP 101           H        ASP 101  -9.369   6.397   1.088
  603    HA   ASP 101           HA       ASP 101 -11.808   6.966   2.484
  604   1HB   ASP 101          2HB       ASP 101 -10.583   8.763   1.387
  605   2HB   ASP 101          1HB       ASP 101 -10.756   7.964  -0.173
  606    H    SER 102           H        SER 102 -11.338   6.192  -0.963
  607    HA   SER 102           HA       SER 102 -13.948   4.869  -0.963
  608   1HB   SER 102          2HB       SER 102 -13.581   6.576  -2.685
  609   2HB   SER 102          1HB       SER 102 -12.165   5.701  -3.268
  610    HG   SER 102           HG       SER 102 -13.432   4.420  -4.342
  611    H    LYS 103           H        LYS 103 -14.122   2.891  -2.386
  612    HA   LYS 103           HA       LYS 103 -11.710   1.237  -2.374
  613   1HB   LYS 103          2HB       LYS 103 -13.163  -0.667  -1.449
  614   2HB   LYS 103          1HB       LYS 103 -12.593   0.549  -0.317
  615   1HG   LYS 103          2HG       LYS 103 -14.823   0.189   0.264
  616   2HG   LYS 103          1HG       LYS 103 -14.841   1.693  -0.655
  617   1HD   LYS 103          2HD       LYS 103 -16.688   0.315  -1.357
  618   2HD   LYS 103          1HD       LYS 103 -15.508   0.401  -2.665
  619   1HE   LYS 103          2HE       LYS 103 -14.619  -1.787  -1.986
  620   2HE   LYS 103          1HE       LYS 103 -15.830  -1.872  -0.706
  621   1HZ   LYS 103          3HZ       LYS 103 -17.560  -1.814  -2.400
  622   2HZ   LYS 103          2HZ       LYS 103 -16.392  -1.753  -3.621
  623   3HZ   LYS 103          1HZ       LYS 103 -16.520  -3.127  -2.643
  624    H    LEU 104           H        LEU 104 -13.526   2.551  -4.365
  625    HA   LEU 104           HA       LEU 104 -14.103   0.141  -5.951
  626   1HB   LEU 104          2HB       LEU 104 -16.139   1.399  -5.050
  627   2HB   LEU 104          1HB       LEU 104 -15.693   2.688  -6.152
  628    HG   LEU 104           HG       LEU 104 -15.839   0.966  -8.019
  629   1HD1  LEU 104          1HD1      LEU 104 -15.730  -1.018  -6.575
  630   2HD1  LEU 104          3HD1      LEU 104 -17.296  -0.589  -5.887
  631   3HD1  LEU 104          2HD1      LEU 104 -17.170  -1.013  -7.594
  632   1HD2  LEU 104          2HD2      LEU 104 -18.321   1.675  -6.456
  633   2HD2  LEU 104          1HD2      LEU 104 -17.538   2.663  -7.691
  634   3HD2  LEU 104          3HD2      LEU 104 -18.293   1.132  -8.134
  635    H    GLU 105           H        GLU 105 -12.903   3.396  -5.792
  636    HA   GLU 105           HA       GLU 105 -12.438   3.632  -8.626
  637   1HB   GLU 105          2HB       GLU 105 -11.440   5.313  -6.316
  638   2HB   GLU 105          1HB       GLU 105 -11.255   5.718  -8.017
  639   1HG   GLU 105          2HG       GLU 105 -13.682   5.834  -8.257
  640   2HG   GLU 105          1HG       GLU 105 -13.868   5.429  -6.550
  641    H    TRP 106           H        TRP 106 -11.200   1.745  -9.017
  642    HA   TRP 106           HA       TRP 106  -8.435   1.878  -8.012
  643   1HB   TRP 106          2HB       TRP 106  -8.432  -0.618  -8.691
  644   2HB   TRP 106          1HB       TRP 106  -9.272  -0.154  -7.214
  645    HD1  TRP 106           HD1      TRP 106 -10.368  -0.425 -10.946
  646    HE1  TRP 106           HE1      TRP 106 -12.628  -1.657 -11.003
  647    HE3  TRP 106           HE3      TRP 106 -10.989  -1.233  -5.935
  648    HZ2  TRP 106           HZ2      TRP 106 -14.428  -2.825  -9.174
  649    HZ3  TRP 106           HZ3      TRP 106 -13.005  -2.418  -5.173
  650    HH2  TRP 106           HH2      TRP 106 -14.689  -3.196  -6.760
  651    H    LYS 107           H        LYS 107  -9.910   3.025 -10.465
  652    HA   LYS 107           HA       LYS 107  -7.995   2.025 -12.470
  653   1HB   LYS 107          2HB       LYS 107 -10.366   1.453 -12.978
  654   2HB   LYS 107          1HB       LYS 107 -10.743   3.170 -13.001
  655   1HG   LYS 107          2HG       LYS 107  -9.192   3.477 -14.873
  656   2HG   LYS 107          1HG       LYS 107  -8.845   1.747 -14.857
  657   1HD   LYS 107          2HD       LYS 107 -11.245   1.305 -15.278
  658   2HD   LYS 107          1HD       LYS 107 -11.515   3.044 -15.398
  659   1HE   LYS 107          2HE       LYS 107  -9.946   3.148 -17.280
  660   2HE   LYS 107          1HE       LYS 107  -9.700   1.406 -17.165
  661   1HZ   LYS 107          2HZ       LYS 107 -12.070   1.103 -17.631
  662   2HZ   LYS 107          1HZ       LYS 107 -12.258   2.774 -17.805
  663   3HZ   LYS 107          3HZ       LYS 107 -11.283   1.912 -18.890
  664    H    ASP 108           H        ASP 108  -6.408   3.543 -12.148
  665    HA   ASP 108           HA       ASP 108  -7.171   6.367 -12.448
  666   1HB   ASP 108          2HB       ASP 108  -4.605   5.187 -11.360
  667   2HB   ASP 108          1HB       ASP 108  -5.004   6.902 -11.431

  No H/Q in entry =         667
  Start of MODEL   15
    1    H1   GLY  24          1H        GLY  24 -26.217 -16.373  -5.205
    2    H2   GLY  24          3H        GLY  24 -26.215 -17.775  -4.258
    3    H3   GLY  24          2H        GLY  24 -25.449 -16.375  -3.699
    4   1HA   GLY  24          2HA       GLY  24 -24.626 -17.989  -6.050
    5   2HA   GLY  24          1HA       GLY  24 -23.822 -17.974  -4.488
    6    H    SER  25           H        SER  25 -23.102 -15.753  -3.741
    7    HA   SER  25           HA       SER  25 -22.013 -14.282  -6.050
    8   1HB   SER  25          2HB       SER  25 -23.729 -12.930  -4.952
    9   2HB   SER  25          1HB       SER  25 -22.920 -13.134  -3.399
   10    HG   SER  25           HG       SER  25 -21.256 -11.879  -4.095
   11    H    HIS  26           H        HIS  26 -19.875 -13.879  -6.053
   12    HA   HIS  26           HA       HIS  26 -18.296 -15.034  -3.888
   13   1HB   HIS  26          2HB       HIS  26 -17.460 -14.020  -6.613
   14   2HB   HIS  26          1HB       HIS  26 -16.398 -14.811  -5.453
   15    HD1  HIS  26           HD1      HIS  26 -18.614 -15.506  -8.236
   16    HD2  HIS  26           HD2      HIS  26 -17.219 -17.589  -4.922
   17    HE1  HIS  26           HE1      HIS  26 -19.047 -17.932  -8.736
   18    HE2  HIS  26           HE2      HIS  26 -18.148 -19.178  -6.740
   19    H    MET  27           H        MET  27 -17.704 -13.750  -2.281
   20    HA   MET  27           HA       MET  27 -17.274 -10.893  -2.815
   21   1HB   MET  27          2HB       MET  27 -17.652 -12.285  -0.158
   22   2HB   MET  27          1HB       MET  27 -17.583 -10.549  -0.427
   23   1HG   MET  27          2HG       MET  27 -19.641 -10.634  -1.697
   24   2HG   MET  27          1HG       MET  27 -19.698 -12.387  -1.524
   25   1HE   MET  27          1HE       MET  27 -22.129 -12.351  -0.578
   26   2HE   MET  27          3HE       MET  27 -22.661 -11.332   0.760
   27   3HE   MET  27          2HE       MET  27 -22.190 -10.599  -0.773
   28    H    ASN  28           H        ASN  28 -15.313  -9.992  -2.603
   29    HA   ASN  28           HA       ASN  28 -13.106 -11.732  -1.756
   30   1HB   ASN  28          2HB       ASN  28 -13.086  -9.188  -3.393
   31   2HB   ASN  28          1HB       ASN  28 -11.654 -10.117  -2.960
   32   1HD2  ASN  28          1HD2      ASN  28 -11.306 -12.123  -3.919
   33   2HD2  ASN  28          2HD2      ASN  28 -12.129 -12.602  -5.360
   34    H    ASN  29           H        ASN  29 -11.236 -10.548  -0.704
   35    HA   ASN  29           HA       ASN  29 -12.130  -9.358   1.702
   36   1HB   ASN  29          2HB       ASN  29  -9.735  -9.053   2.200
   37   2HB   ASN  29          1HB       ASN  29 -10.072 -10.676   1.607
   38   1HD2  ASN  29          1HD2      ASN  29  -7.579  -9.169   1.618
   39   2HD2  ASN  29          2HD2      ASN  29  -7.060  -9.092  -0.028
   40    H    GLU  30           H        GLU  30 -11.840  -7.241   2.483
   41    HA   GLU  30           HA       GLU  30 -11.142  -5.190   0.513
   42   1HB   GLU  30          2HB       GLU  30 -13.598  -5.472   0.449
   43   2HB   GLU  30          1HB       GLU  30 -13.670  -5.128   2.172
   44   1HG   GLU  30          2HG       GLU  30 -14.284  -3.173   0.906
   45   2HG   GLU  30          1HG       GLU  30 -12.763  -2.890   1.752
   46    H    ASP  31           H        ASP  31 -11.990  -5.886   3.888
   47    HA   ASP  31           HA       ASP  31 -11.061  -3.509   5.025
   48   1HB   ASP  31          2HB       ASP  31 -11.111  -6.287   6.224
   49   2HB   ASP  31          1HB       ASP  31 -10.914  -4.793   7.134
   50    H    PHE  32           H        PHE  32  -9.098  -2.668   5.015
   51    HA   PHE  32           HA       PHE  32  -6.790  -4.280   4.382
   52   1HB   PHE  32          2HB       PHE  32  -5.570  -2.111   4.478
   53   2HB   PHE  32          1HB       PHE  32  -6.946  -2.087   3.381
   54    HD1  PHE  32           HD1      PHE  32  -5.581  -0.829   6.526
   55    HD2  PHE  32           HD2      PHE  32  -8.913  -0.769   3.879
   56    HE1  PHE  32           HE1      PHE  32  -6.460   1.154   7.685
   57    HE2  PHE  32           HE2      PHE  32  -9.798   1.215   5.034
   58    HZ   PHE  32           HZ       PHE  32  -8.572   2.179   6.939
   59    H    SER  33           H        SER  33  -8.416  -3.522   7.195
   60    HA   SER  33           HA       SER  33  -6.213  -3.171   8.972
   61   1HB   SER  33          2HB       SER  33  -8.454  -2.370   9.553
   62   2HB   SER  33          1HB       SER  33  -9.063  -4.025   9.538
   63    HG   SER  33           HG       SER  33  -8.136  -4.400  11.417
   64    H    GLN  34           H        GLN  34  -7.734  -5.897   7.516
   65    HA   GLN  34           HA       GLN  34  -6.432  -7.730   9.403
   66   1HB   GLN  34          2HB       GLN  34  -7.840  -9.480   8.350
   67   2HB   GLN  34          1HB       GLN  34  -8.778  -8.185   9.080
   68   1HG   GLN  34          2HG       GLN  34  -9.145  -7.192   6.892
   69   2HG   GLN  34          1HG       GLN  34  -8.164  -8.451   6.145
   70   1HE2  GLN  34          1HE2      GLN  34 -10.357  -9.048   8.793
   71   2HE2  GLN  34          2HE2      GLN  34 -11.506  -9.971   7.892
   72    H    TRP  35           H        TRP  35  -5.614  -6.186   6.685
   73    HA   TRP  35           HA       TRP  35  -4.659  -8.251   4.997
   74   1HB   TRP  35          2HB       TRP  35  -4.150  -5.312   5.234
   75   2HB   TRP  35          1HB       TRP  35  -3.082  -6.284   4.229
   76    HD1  TRP  35           HD1      TRP  35  -6.659  -7.440   4.192
   77    HE1  TRP  35           HE1      TRP  35  -7.754  -6.783   1.959
   78    HE3  TRP  35           HE3      TRP  35  -3.032  -4.312   2.392
   79    HZ2  TRP  35           HZ2      TRP  35  -7.163  -5.156  -0.269
   80    HZ3  TRP  35           HZ3      TRP  35  -3.377  -3.247   0.201
   81    HH2  TRP  35           HH2      TRP  35  -5.400  -3.661  -1.101
   82    H    SER  36           H        SER  36  -2.717  -9.263   4.864
   83    HA   SER  36           HA       SER  36  -0.943  -8.957   7.178
   84   1HB   SER  36          2HB       SER  36  -0.077 -11.178   6.580
   85   2HB   SER  36          1HB       SER  36  -1.831 -11.218   6.757
   86    HG   SER  36           HG       SER  36  -0.870 -10.679   4.214
   87    H    VAL  37           H        VAL  37   1.429  -9.781   6.416
   88    HA   VAL  37           HA       VAL  37   2.534  -7.625   5.013
   89    HB   VAL  37           HB       VAL  37   3.731 -10.343   5.571
   90   1HG1  VAL  37          1HG1      VAL  37   5.050  -7.780   4.682
   91   2HG1  VAL  37          3HG1      VAL  37   5.907  -9.213   5.250
   92   3HG1  VAL  37          2HG1      VAL  37   4.948  -9.288   3.772
   93   1HG2  VAL  37          3HG2      VAL  37   3.079  -9.140   7.584
   94   2HG2  VAL  37          2HG2      VAL  37   4.836  -9.204   7.438
   95   3HG2  VAL  37          1HG2      VAL  37   3.971  -7.719   7.039
   96    H    ASP  38           H        ASP  38   1.563 -10.834   3.934
   97    HA   ASP  38           HA       ASP  38   2.750 -10.618   1.347
   98   1HB   ASP  38          2HB       ASP  38   2.292 -12.801   2.335
   99   2HB   ASP  38          1HB       ASP  38   0.567 -12.449   2.362
  100    H    ASP  39           H        ASP  39  -0.369  -9.774   2.699
  101    HA   ASP  39           HA       ASP  39  -1.652  -9.404   0.161
  102   1HB   ASP  39          2HB       ASP  39  -2.447  -8.482   2.928
  103   2HB   ASP  39          1HB       ASP  39  -3.468  -8.368   1.497
  104    H    VAL  40           H        VAL  40  -0.178  -7.254   2.559
  105    HA   VAL  40           HA       VAL  40  -0.876  -4.838   1.270
  106    HB   VAL  40           HB       VAL  40   1.412  -5.389   3.169
  107   1HG1  VAL  40          1HG1      VAL  40   0.160  -2.775   2.332
  108   2HG1  VAL  40          3HG1      VAL  40   1.372  -2.974   3.597
  109   3HG1  VAL  40          2HG1      VAL  40   1.781  -3.335   1.920
  110   1HG2  VAL  40          1HG2      VAL  40  -0.810  -5.922   4.084
  111   2HG2  VAL  40          3HG2      VAL  40  -0.069  -4.543   4.895
  112   3HG2  VAL  40          2HG2      VAL  40  -1.344  -4.285   3.705
  113    H    ILE  41           H        ILE  41   2.085  -6.804   1.181
  114    HA   ILE  41           HA       ILE  41   3.557  -5.085  -0.499
  115    HB   ILE  41           HB       ILE  41   3.813  -8.064  -0.073
  116   1HG1  ILE  41          2HG1      ILE  41   5.441  -5.773   1.044
  117   2HG1  ILE  41          1HG1      ILE  41   4.142  -6.581   1.915
  118   1HG2  ILE  41          3HG2      ILE  41   5.717  -6.149  -1.418
  119   2HG2  ILE  41          2HG2      ILE  41   6.076  -7.826  -1.006
  120   3HG2  ILE  41          1HG2      ILE  41   4.825  -7.458  -2.193
  121   1HD1  ILE  41          2HD1      ILE  41   5.397  -8.691   1.767
  122   2HD1  ILE  41          1HD1      ILE  41   6.712  -7.827   0.972
  123   3HD1  ILE  41          3HD1      ILE  41   6.275  -7.431   2.633
  124    H    THR  42           H        THR  42   1.882  -8.133  -1.315
  125    HA   THR  42           HA       THR  42   2.302  -8.157  -4.030
  126    HB   THR  42           HB       THR  42  -0.200  -9.041  -2.580
  127    HG1  THR  42           HG1      THR  42   2.069  -9.947  -2.138
  128   1HG2  THR  42          1HG2      THR  42   0.837  -9.770  -5.323
  129   2HG2  THR  42          3HG2      THR  42  -0.519 -10.550  -4.508
  130   3HG2  THR  42          2HG2      THR  42  -0.625  -8.850  -4.966
  131    H    TRP  43           H        TRP  43  -0.686  -6.903  -2.506
  132    HA   TRP  43           HA       TRP  43  -1.807  -5.815  -4.796
  133   1HB   TRP  43          2HB       TRP  43  -3.073  -6.042  -2.729
  134   2HB   TRP  43          1HB       TRP  43  -2.048  -4.846  -1.940
  135    HD1  TRP  43           HD1      TRP  43  -4.999  -5.157  -4.313
  136    HE1  TRP  43           HE1      TRP  43  -5.990  -2.819  -4.733
  137    HE3  TRP  43           HE3      TRP  43  -1.388  -2.328  -2.057
  138    HZ2  TRP  43           HZ2      TRP  43  -5.324  -0.130  -4.183
  139    HZ3  TRP  43           HZ3      TRP  43  -1.639   0.118  -2.046
  140    HH2  TRP  43           HH2      TRP  43  -3.566   1.196  -3.085
  141    H    CYS  44           H        CYS  44   0.350  -4.269  -2.443
  142    HA   CYS  44           HA       CYS  44   0.363  -1.688  -3.424
  143   1HB   CYS  44          2HB       CYS  44   1.469  -2.220  -1.357
  144   2HB   CYS  44          1HB       CYS  44   2.599  -3.291  -2.177
  145    HG   CYS  44           HG       CYS  44   3.521  -0.925  -3.730
  146    H    ILE  45           H        ILE  45   2.961  -4.017  -4.096
  147    HA   ILE  45           HA       ILE  45   4.219  -2.650  -6.132
  148    HB   ILE  45           HB       ILE  45   3.948  -5.649  -5.900
  149   1HG1  ILE  45          2HG1      ILE  45   6.072  -3.831  -4.746
  150   2HG1  ILE  45          1HG1      ILE  45   4.729  -4.495  -3.820
  151   1HG2  ILE  45          3HG2      ILE  45   6.000  -3.917  -7.271
  152   2HG2  ILE  45          2HG2      ILE  45   6.146  -5.659  -7.041
  153   3HG2  ILE  45          1HG2      ILE  45   4.848  -5.007  -8.041
  154   1HD1  ILE  45          1HD1      ILE  45   6.862  -6.098  -5.210
  155   2HD1  ILE  45          3HD1      ILE  45   6.780  -5.761  -3.481
  156   3HD1  ILE  45          2HD1      ILE  45   5.534  -6.746  -4.248
  157    H    SER  46           H        SER  46   1.745  -5.190  -6.506
  158    HA   SER  46           HA       SER  46   1.638  -5.202  -9.284
  159   1HB   SER  46          2HB       SER  46  -0.556  -5.803  -7.292
  160   2HB   SER  46          1HB       SER  46  -0.617  -6.209  -9.007
  161    HG   SER  46           HG       SER  46   0.389  -7.958  -8.450
  162    H    THR  47           H        THR  47   0.670  -2.700  -7.208
  163    HA   THR  47           HA       THR  47  -0.858  -1.480  -9.412
  164    HB   THR  47           HB       THR  47  -2.390  -0.438  -7.856
  165    HG1  THR  47           HG1      THR  47  -2.003  -0.392  -5.767
  166   1HG2  THR  47          2HG2      THR  47  -2.135  -3.401  -7.327
  167   2HG2  THR  47          1HG2      THR  47  -3.566  -2.423  -6.996
  168   3HG2  THR  47          3HG2      THR  47  -3.017  -2.651  -8.657
  169    H    LEU  48           H        LEU  48   1.916  -1.238  -7.707
  170    HA   LEU  48           HA       LEU  48   1.795   1.655  -7.335
  171   1HB   LEU  48          2HB       LEU  48   2.823  -0.007  -5.665
  172   2HB   LEU  48          1HB       LEU  48   4.183  -0.070  -6.769
  173    HG   LEU  48           HG       LEU  48   3.234   2.585  -5.764
  174   1HD1  LEU  48          2HD1      LEU  48   4.991   0.656  -4.258
  175   2HD1  LEU  48          1HD1      LEU  48   4.809   2.368  -3.875
  176   3HD1  LEU  48          3HD1      LEU  48   3.424   1.285  -3.747
  177   1HD2  LEU  48          3HD2      LEU  48   4.938   2.450  -7.540
  178   2HD2  LEU  48          2HD2      LEU  48   5.554   3.188  -6.062
  179   3HD2  LEU  48          1HD2      LEU  48   5.969   1.518  -6.453
  180    H    GLU  49           H        GLU  49   4.356  -0.465  -8.679
  181    HA   GLU  49           HA       GLU  49   4.458   1.284 -11.017
  182   1HB   GLU  49          2HB       GLU  49   6.092   1.944  -9.064
  183   2HB   GLU  49          1HB       GLU  49   7.055   0.620  -9.703
  184   1HG   GLU  49          2HG       GLU  49   6.091   2.969 -11.317
  185   2HG   GLU  49          1HG       GLU  49   7.692   2.832 -10.593
  186    H    VAL  50           H        VAL  50   6.462  -1.314  -9.611
  187    HA   VAL  50           HA       VAL  50   6.412  -2.643 -12.234
  188    HB   VAL  50           HB       VAL  50   8.426  -3.830 -11.518
  189   1HG1  VAL  50          3HG1      VAL  50   8.663  -1.686 -12.656
  190   2HG1  VAL  50          2HG1      VAL  50   8.614  -0.848 -11.105
  191   3HG1  VAL  50          1HG1      VAL  50   9.959  -1.924 -11.483
  192   1HG2  VAL  50          1HG2      VAL  50   8.177  -2.213  -8.983
  193   2HG2  VAL  50          3HG2      VAL  50   7.977  -3.959  -9.130
  194   3HG2  VAL  50          2HG2      VAL  50   9.553  -3.224  -9.424
  195    H    GLU  51           H        GLU  51   7.229  -5.149 -11.521
  196    HA   GLU  51           HA       GLU  51   4.821  -6.222 -10.237
  197   1HB   GLU  51          2HB       GLU  51   5.520  -8.367 -11.290
  198   2HB   GLU  51          1HB       GLU  51   5.248  -7.080 -12.458
  199   1HG   GLU  51          2HG       GLU  51   7.618  -6.718 -12.680
  200   2HG   GLU  51          1HG       GLU  51   7.950  -7.896 -11.411
  201    H    GLU  52           H        GLU  52   5.525  -8.615  -9.305
  202    HA   GLU  52           HA       GLU  52   7.085  -7.950  -6.986
  203   1HB   GLU  52          2HB       GLU  52   5.853 -10.576  -7.839
  204   2HB   GLU  52          1HB       GLU  52   6.577 -10.263  -6.268
  205   1HG   GLU  52          2HG       GLU  52   4.896  -8.563  -5.816
  206   2HG   GLU  52          1HG       GLU  52   4.181  -8.837  -7.404
  207    H    THR  53           H        THR  53   9.031  -7.464  -8.251
  208    HA   THR  53           HA       THR  53  10.756  -9.821  -8.396
  209    HB   THR  53           HB       THR  53  11.826  -8.961 -10.474
  210    HG1  THR  53           HG1      THR  53  10.798  -7.346 -11.640
  211   1HG2  THR  53          3HG2      THR  53   8.888  -9.618 -10.701
  212   2HG2  THR  53          2HG2      THR  53  10.054  -9.702 -12.022
  213   3HG2  THR  53          1HG2      THR  53  10.217 -10.775 -10.632
  214    H    ASP  54           H        ASP  54  10.547  -6.306  -8.635
  215    HA   ASP  54           HA       ASP  54  13.204  -5.690  -8.019
  216   1HB   ASP  54          2HB       ASP  54  11.672  -4.070  -9.001
  217   2HB   ASP  54          1HB       ASP  54  10.661  -4.113  -7.562
  218    HA   PRO  55           HA       PRO  55  13.712  -6.594  -3.710
  219   1HB   PRO  55          2HB       PRO  55  15.134  -4.322  -2.963
  220   2HB   PRO  55          1HB       PRO  55  15.833  -5.793  -3.643
  221   1HG   PRO  55          2HG       PRO  55  15.114  -3.230  -5.000
  222   2HG   PRO  55          1HG       PRO  55  16.518  -4.282  -5.259
  223   1HD   PRO  55          2HD       PRO  55  14.472  -4.293  -6.965
  224   2HD   PRO  55          1HD       PRO  55  15.298  -5.803  -6.529
  225    H    LEU  56           H        LEU  56  11.809  -4.092  -4.836
  226    HA   LEU  56           HA       LEU  56  11.258  -2.489  -2.654
  227   1HB   LEU  56          2HB       LEU  56  10.353  -2.224  -4.968
  228   2HB   LEU  56          1HB       LEU  56   9.240  -3.537  -4.641
  229    HG   LEU  56           HG       LEU  56   8.316  -2.133  -2.746
  230   1HD1  LEU  56          3HD1      LEU  56  10.218  -0.615  -2.510
  231   2HD1  LEU  56          2HD1      LEU  56   9.908   0.024  -4.126
  232   3HD1  LEU  56          1HD1      LEU  56   8.725   0.267  -2.840
  233   1HD2  LEU  56          2HD2      LEU  56   8.101  -1.076  -5.562
  234   2HD2  LEU  56          1HD2      LEU  56   7.146  -2.380  -4.859
  235   3HD2  LEU  56          3HD2      LEU  56   6.973  -0.734  -4.250
  236    H    CYS  57           H        CYS  57  10.039  -5.709  -3.426
  237    HA   CYS  57           HA       CYS  57   8.175  -5.845  -1.279
  238   1HB   CYS  57          2HB       CYS  57   8.045  -8.229  -1.809
  239   2HB   CYS  57          1HB       CYS  57   7.996  -7.269  -3.282
  240    HG   CYS  57           HG       CYS  57   9.913  -8.492  -4.452
  241    H    GLN  58           H        GLN  58  11.564  -6.624  -1.649
  242    HA   GLN  58           HA       GLN  58  11.906  -8.195   0.655
  243   1HB   GLN  58          2HB       GLN  58  13.566  -8.008  -1.171
  244   2HB   GLN  58          1HB       GLN  58  13.910  -6.359  -0.669
  245   1HG   GLN  58          2HG       GLN  58  15.613  -7.837   0.161
  246   2HG   GLN  58          1HG       GLN  58  14.672  -7.201   1.509
  247   1HE2  GLN  58          1HE2      GLN  58  13.487  -9.692  -0.617
  248   2HE2  GLN  58          2HE2      GLN  58  13.540 -10.979   0.533
  249    H    ARG  59           H        ARG  59  12.004  -4.705   0.152
  250    HA   ARG  59           HA       ARG  59  12.925  -4.078   2.773
  251   1HB   ARG  59          2HB       ARG  59  13.021  -2.617   0.663
  252   2HB   ARG  59          1HB       ARG  59  11.343  -2.222   1.007
  253   1HG   ARG  59          2HG       ARG  59  12.677  -0.485   1.907
  254   2HG   ARG  59          1HG       ARG  59  12.079  -1.438   3.266
  255   1HD   ARG  59          2HD       ARG  59  14.441  -0.870   3.547
  256   2HD   ARG  59          1HD       ARG  59  14.213  -2.612   3.395
  257    HE   ARG  59           HE       ARG  59  14.736  -1.848   0.860
  258   1HH1  ARG  59          1HH1      ARG  59  16.358  -1.265   3.890
  259   2HH1  ARG  59          2HH1      ARG  59  17.932  -1.175   3.175
  260   1HH2  ARG  59          1HH2      ARG  59  16.802  -1.729  -0.085
  261   2HH2  ARG  59          2HH2      ARG  59  18.185  -1.438   0.916
  262    H    LEU  60           H        LEU  60   9.720  -4.065   1.239
  263    HA   LEU  60           HA       LEU  60   8.261  -3.123   3.432
  264   1HB   LEU  60          2HB       LEU  60   7.374  -5.028   1.264
  265   2HB   LEU  60          1HB       LEU  60   6.305  -4.151   2.342
  266    HG   LEU  60           HG       LEU  60   8.155  -2.874   0.324
  267   1HD1  LEU  60          2HD1      LEU  60   6.337  -4.108  -0.743
  268   2HD1  LEU  60          1HD1      LEU  60   5.165  -3.257   0.263
  269   3HD1  LEU  60          3HD1      LEU  60   6.122  -2.367  -0.921
  270   1HD2  LEU  60          1HD2      LEU  60   7.740  -1.465   2.276
  271   2HD2  LEU  60          3HD2      LEU  60   6.936  -0.825   0.843
  272   3HD2  LEU  60          2HD2      LEU  60   6.002  -1.683   2.069
  273    H    ARG  61           H        ARG  61   8.886  -6.475   2.411
  274    HA   ARG  61           HA       ARG  61   7.476  -7.768   4.434
  275   1HB   ARG  61          2HB       ARG  61   8.422  -8.843   2.388
  276   2HB   ARG  61          1HB       ARG  61  10.016  -8.742   3.121
  277   1HG   ARG  61          2HG       ARG  61   9.247 -10.165   4.964
  278   2HG   ARG  61          1HG       ARG  61   7.666 -10.289   4.192
  279   1HD   ARG  61          2HD       ARG  61   8.954 -12.254   3.668
  280   2HD   ARG  61          1HD       ARG  61   8.760 -11.284   2.208
  281    HE   ARG  61           HE       ARG  61  11.174 -10.604   3.500
  282   1HH1  ARG  61          1HH1      ARG  61   9.721 -13.166   1.634
  283   2HH1  ARG  61          2HH1      ARG  61  11.228 -13.722   0.988
  284   1HH2  ARG  61          1HH2      ARG  61  13.159 -11.331   2.655
  285   2HH2  ARG  61          2HH2      ARG  61  13.182 -12.679   1.568
  286    H    GLU  62           H        GLU  62  10.861  -6.709   4.360
  287    HA   GLU  62           HA       GLU  62  11.788  -7.805   6.707
  288   1HB   GLU  62          2HB       GLU  62  13.208  -6.547   5.152
  289   2HB   GLU  62          1HB       GLU  62  12.402  -5.054   5.611
  290   1HG   GLU  62          2HG       GLU  62  13.238  -5.315   7.898
  291   2HG   GLU  62          1HG       GLU  62  14.064  -6.796   7.418
  292    H    ASN  63           H        ASN  63  10.163  -4.666   6.320
  293    HA   ASN  63           HA       ASN  63   9.865  -4.466   9.215
  294   1HB   ASN  63          2HB       ASN  63   9.160  -2.518   7.007
  295   2HB   ASN  63          1HB       ASN  63   8.954  -2.203   8.726
  296   1HD2  ASN  63          1HD2      ASN  63  11.239  -2.613   6.138
  297   2HD2  ASN  63          2HD2      ASN  63  12.606  -1.966   6.972
  298    H    ASP  64           H        ASP  64   8.353  -6.066   9.635
  299    HA   ASP  64           HA       ASP  64   5.998  -6.587   8.285
  300   1HB   ASP  64          2HB       ASP  64   6.915  -7.985  10.110
  301   2HB   ASP  64          1HB       ASP  64   6.443  -6.751  11.274
  302    H    ILE  65           H        ILE  65   4.691  -4.967   7.638
  303    HA   ILE  65           HA       ILE  65   3.505  -3.277   9.737
  304    HB   ILE  65           HB       ILE  65   4.262  -2.389   6.951
  305   1HG1  ILE  65          2HG1      ILE  65   6.169  -2.482   8.489
  306   2HG1  ILE  65          1HG1      ILE  65   5.763  -0.818   8.092
  307   1HG2  ILE  65          3HG2      ILE  65   2.793  -0.921   9.132
  308   2HG2  ILE  65          2HG2      ILE  65   3.439  -0.166   7.675
  309   3HG2  ILE  65          1HG2      ILE  65   2.168  -1.382   7.549
  310   1HD1  ILE  65          2HD1      ILE  65   5.007  -2.245  10.631
  311   2HD1  ILE  65          1HD1      ILE  65   6.324  -1.088  10.446
  312   3HD1  ILE  65          3HD1      ILE  65   4.654  -0.563  10.237
  313    H    VAL  66           H        VAL  66   1.336  -3.193   9.746
  314    HA   VAL  66           HA       VAL  66  -0.116  -4.821   7.838
  315    HB   VAL  66           HB       VAL  66  -2.086  -4.343   9.250
  316   1HG1  VAL  66          3HG1      VAL  66   0.359  -5.238  10.767
  317   2HG1  VAL  66          2HG1      VAL  66  -1.310  -5.519  11.260
  318   3HG1  VAL  66          1HG1      VAL  66  -0.693  -6.253   9.781
  319   1HG2  VAL  66          1HG2      VAL  66  -1.473  -2.078   9.944
  320   2HG2  VAL  66          3HG2      VAL  66  -1.831  -3.102  11.335
  321   3HG2  VAL  66          2HG2      VAL  66  -0.157  -2.731  10.920
  322    H    GLY  67           H        GLY  67  -2.477  -3.760   7.437
  323   1HA   GLY  67          1HA       GLY  67  -3.475  -2.381   5.860
  324   2HA   GLY  67          2HA       GLY  67  -1.939  -1.550   5.660
  325    H    ASP  68           H        ASP  68  -2.954  -1.883   8.889
  326    HA   ASP  68           HA       ASP  68  -4.569   0.490   9.021
  327   1HB   ASP  68          2HB       ASP  68  -4.873  -1.401  10.585
  328   2HB   ASP  68          1HB       ASP  68  -3.268  -1.096  11.246
  329    H    LEU  69           H        LEU  69  -1.246  -0.105   8.898
  330    HA   LEU  69           HA       LEU  69  -0.590   2.397  10.285
  331   1HB   LEU  69          2HB       LEU  69   0.960  -0.057   9.577
  332   2HB   LEU  69          1HB       LEU  69   1.813   1.453   9.822
  333    HG   LEU  69           HG       LEU  69   1.124   1.577  12.102
  334   1HD1  LEU  69          2HD1      LEU  69  -0.755  -0.643  11.386
  335   2HD1  LEU  69          1HD1      LEU  69  -0.279  -0.330  13.055
  336   3HD1  LEU  69          3HD1      LEU  69  -1.114   0.915  12.127
  337   1HD2  LEU  69          3HD2      LEU  69   1.938  -1.233  11.388
  338   2HD2  LEU  69          2HD2      LEU  69   3.010   0.132  11.703
  339   3HD2  LEU  69          1HD2      LEU  69   2.024  -0.533  13.005
  340    H    LEU  70           H        LEU  70  -1.225   1.307   7.213
  341    HA   LEU  70           HA       LEU  70   0.780   2.525   5.675
  342   1HB   LEU  70          2HB       LEU  70  -2.110   1.995   4.990
  343   2HB   LEU  70          1HB       LEU  70  -0.889   2.483   3.832
  344    HG   LEU  70           HG       LEU  70  -0.826  -0.074   5.439
  345   1HD1  LEU  70          2HD1      LEU  70  -2.626  -0.080   3.800
  346   2HD1  LEU  70          1HD1      LEU  70  -1.493   0.404   2.538
  347   3HD1  LEU  70          3HD1      LEU  70  -1.329  -1.171   3.314
  348   1HD2  LEU  70          2HD2      LEU  70   1.401   0.761   4.869
  349   2HD2  LEU  70          1HD2      LEU  70   1.009  -0.695   3.954
  350   3HD2  LEU  70          3HD2      LEU  70   0.925   0.885   3.176
  351    HA   PRO  71           HA       PRO  71  -1.930   6.467   5.479
  352   1HB   PRO  71          2HB       PRO  71  -4.074   6.741   7.068
  353   2HB   PRO  71          1HB       PRO  71  -4.166   5.875   5.530
  354   1HG   PRO  71          2HG       PRO  71  -3.937   4.786   8.307
  355   2HG   PRO  71          1HG       PRO  71  -4.950   4.225   6.965
  356   1HD   PRO  71          2HD       PRO  71  -2.565   3.070   7.668
  357   2HD   PRO  71          1HD       PRO  71  -3.250   3.009   6.033
  358    H    GLU  72           H        GLU  72  -1.180   4.928   8.469
  359    HA   GLU  72           HA       GLU  72  -1.106   7.330  10.051
  360   1HB   GLU  72          2HB       GLU  72  -1.560   5.114  11.050
  361   2HB   GLU  72          1HB       GLU  72   0.066   4.602  10.621
  362   1HG   GLU  72          2HG       GLU  72   0.002   5.193  12.943
  363   2HG   GLU  72          1HG       GLU  72   0.977   6.373  12.068
  364    H    LEU  73           H        LEU  73   1.142   5.466   8.140
  365    HA   LEU  73           HA       LEU  73   3.426   6.986   9.109
  366   1HB   LEU  73          2HB       LEU  73   3.246   4.820   7.015
  367   2HB   LEU  73          1HB       LEU  73   4.733   5.542   7.598
  368    HG   LEU  73           HG       LEU  73   2.814   4.026   9.363
  369   1HD1  LEU  73          3HD1      LEU  73   3.707   2.549   7.639
  370   2HD1  LEU  73          2HD1      LEU  73   5.345   3.062   8.041
  371   3HD1  LEU  73          1HD1      LEU  73   4.387   2.168   9.221
  372   1HD2  LEU  73          3HD2      LEU  73   4.279   5.645  10.497
  373   2HD2  LEU  73          2HD2      LEU  73   4.668   3.979  10.924
  374   3HD2  LEU  73          1HD2      LEU  73   5.683   4.856   9.780
  375    H    CYS  74           H        CYS  74   4.268   8.701   8.120
  376    HA   CYS  74           HA       CYS  74   2.962   9.783   5.795
  377   1HB   CYS  74          2HB       CYS  74   5.344  10.778   7.373
  378   2HB   CYS  74          1HB       CYS  74   4.527  11.680   6.101
  379    HG   CYS  74           HG       CYS  74   3.202  12.935   7.927
  380    H    LEU  75           H        LEU  75   4.913  11.023   4.377
  381    HA   LEU  75           HA       LEU  75   5.826   8.995   2.653
  382   1HB   LEU  75          2HB       LEU  75   6.401  11.930   2.890
  383   2HB   LEU  75          1HB       LEU  75   7.274  10.944   1.733
  384    HG   LEU  75           HG       LEU  75   5.404  12.102   0.677
  385   1HD1  LEU  75          2HD1      LEU  75   6.092   9.928  -0.193
  386   2HD1  LEU  75          1HD1      LEU  75   4.943   9.131   0.881
  387   3HD1  LEU  75          3HD1      LEU  75   4.361  10.189  -0.404
  388   1HD2  LEU  75          3HD2      LEU  75   3.944  12.247   2.652
  389   2HD2  LEU  75          2HD2      LEU  75   3.104  11.596   1.245
  390   3HD2  LEU  75          1HD2      LEU  75   3.634  10.515   2.534
  391    H    GLN  76           H        GLN  76   7.069  10.066   5.595
  392    HA   GLN  76           HA       GLN  76   9.839   9.890   5.194
  393   1HB   GLN  76          2HB       GLN  76   8.825  10.831   7.227
  394   2HB   GLN  76          1HB       GLN  76   8.244   9.235   7.680
  395   1HG   GLN  76          2HG       GLN  76  10.224   9.810   8.939
  396   2HG   GLN  76          1HG       GLN  76  10.549   8.448   7.868
  397   1HE2  GLN  76          1HE2      GLN  76  12.758   8.824   7.884
  398   2HE2  GLN  76          2HE2      GLN  76  13.475  10.152   7.043
  399    H    ASP  77           H        ASP  77   7.742   7.437   6.717
  400    HA   ASP  77           HA       ASP  77   9.633   5.366   6.598
  401   1HB   ASP  77          2HB       ASP  77   7.730   5.252   8.105
  402   2HB   ASP  77          1HB       ASP  77   6.613   5.240   6.744
  403    H    CYS  78           H        CYS  78   7.282   6.527   4.292
  404    HA   CYS  78           HA       CYS  78   7.243   4.314   2.556
  405   1HB   CYS  78          2HB       CYS  78   6.878   7.241   1.875
  406   2HB   CYS  78          1HB       CYS  78   6.379   5.879   0.877
  407    HG   CYS  78           HG       CYS  78   4.552   7.465   2.919
  408    H    GLN  79           H        GLN  79   9.379   7.121   2.756
  409    HA   GLN  79           HA       GLN  79  10.806   6.528   0.361
  410   1HB   GLN  79          2HB       GLN  79  10.675   8.781   1.543
  411   2HB   GLN  79          1HB       GLN  79  11.849   8.141   2.687
  412   1HG   GLN  79          2HG       GLN  79  13.455   7.819   0.908
  413   2HG   GLN  79          1HG       GLN  79  12.274   8.360  -0.284
  414   1HE2  GLN  79          1HE2      GLN  79  13.575  10.042  -0.982
  415   2HE2  GLN  79          2HE2      GLN  79  13.845  11.460  -0.034
  416    H    ASP  80           H        ASP  80  11.264   5.787   3.774
  417    HA   ASP  80           HA       ASP  80  13.835   4.628   3.535
  418   1HB   ASP  80          2HB       ASP  80  12.880   5.350   5.695
  419   2HB   ASP  80          1HB       ASP  80  11.670   4.074   5.581
  420    H    LEU  81           H        LEU  81  10.646   3.531   2.862
  421    HA   LEU  81           HA       LEU  81  11.267   0.724   2.848
  422   1HB   LEU  81          2HB       LEU  81   8.913   2.430   2.378
  423   2HB   LEU  81          1HB       LEU  81   8.945   0.950   1.443
  424    HG   LEU  81           HG       LEU  81   8.806  -0.407   3.342
  425   1HD1  LEU  81          2HD1      LEU  81   9.618   1.992   4.977
  426   2HD1  LEU  81          1HD1      LEU  81   9.107   0.443   5.648
  427   3HD1  LEU  81          3HD1      LEU  81  10.573   0.541   4.673
  428   1HD2  LEU  81          3HD2      LEU  81   6.729   0.818   2.885
  429   2HD2  LEU  81          2HD2      LEU  81   6.907   0.426   4.596
  430   3HD2  LEU  81          1HD2      LEU  81   7.227   2.065   4.029
  431    H    CYS  82           H        CYS  82  11.776   3.301   0.737
  432    HA   CYS  82           HA       CYS  82  11.907   1.550  -1.617
  433   1HB   CYS  82          2HB       CYS  82  10.612   3.628  -1.874
  434   2HB   CYS  82          1HB       CYS  82  12.030   4.569  -1.429
  435    HG   CYS  82           HG       CYS  82  13.366   4.329  -3.709
  436    H    ASP  83           H        ASP  83  13.788   1.971  -3.104
  437    HA   ASP  83           HA       ASP  83  16.210   1.479  -1.776
  438   1HB   ASP  83          2HB       ASP  83  15.750   2.409  -4.619
  439   2HB   ASP  83          1HB       ASP  83  17.257   1.742  -4.001
  440    H    GLY  84           H        GLY  84  14.599   4.411  -2.467
  441   1HA   GLY  84          1HA       GLY  84  17.064   5.982  -2.181
  442   2HA   GLY  84          2HA       GLY  84  15.784   6.199  -0.997
  443    H    ASP  85           H        ASP  85  14.454   5.468  -3.970
  444    HA   ASP  85           HA       ASP  85  14.515   8.096  -5.126
  445   1HB   ASP  85          2HB       ASP  85  14.308   5.986  -6.463
  446   2HB   ASP  85          1HB       ASP  85  12.683   5.789  -5.812
  447    H    LEU  86           H        LEU  86  13.043   9.703  -4.963
  448    HA   LEU  86           HA       LEU  86  11.142   9.575  -2.815
  449   1HB   LEU  86          2HB       LEU  86  12.420  11.609  -3.250
  450   2HB   LEU  86          1HB       LEU  86  11.695  11.744  -4.840
  451    HG   LEU  86           HG       LEU  86   9.477  12.054  -3.767
  452   1HD1  LEU  86          3HD1      LEU  86  11.089  12.127  -1.221
  453   2HD1  LEU  86          2HD1      LEU  86   9.386  12.557  -1.373
  454   3HD1  LEU  86          1HD1      LEU  86   9.907  10.899  -1.672
  455   1HD2  LEU  86          2HD2      LEU  86  10.809  13.977  -4.462
  456   2HD2  LEU  86          1HD2      LEU  86   9.885  14.337  -3.003
  457   3HD2  LEU  86          3HD2      LEU  86  11.612  13.997  -2.892
  458    H    ASN  87           H        ASN  87  10.899  10.026  -6.335
  459    HA   ASN  87           HA       ASN  87   8.201  10.307  -6.660
  460   1HB   ASN  87          2HB       ASN  87  10.213   8.829  -8.346
  461   2HB   ASN  87          1HB       ASN  87   8.542   9.038  -8.852
  462   1HD2  ASN  87          1HD2      ASN  87   8.272  11.665  -7.677
  463   2HD2  ASN  87          2HD2      ASN  87   9.173  12.748  -8.677
  464    H    LYS  88           H        LYS  88   9.976   7.284  -6.217
  465    HA   LYS  88           HA       LYS  88   7.888   5.489  -6.652
  466   1HB   LYS  88          2HB       LYS  88  10.424   5.092  -6.269
  467   2HB   LYS  88          1HB       LYS  88   9.996   5.022  -4.567
  468   1HG   LYS  88          2HG       LYS  88   9.962   2.802  -5.199
  469   2HG   LYS  88          1HG       LYS  88   8.262   3.261  -5.314
  470   1HD   LYS  88          2HD       LYS  88   8.415   3.495  -7.690
  471   2HD   LYS  88          1HD       LYS  88  10.168   3.301  -7.649
  472   1HE   LYS  88          2HE       LYS  88   9.777   0.998  -6.706
  473   2HE   LYS  88          1HE       LYS  88   8.066   1.225  -7.064
  474   1HZ   LYS  88          3HZ       LYS  88   8.686   1.587  -9.404
  475   2HZ   LYS  88          2HZ       LYS  88  10.295   1.233  -9.023
  476   3HZ   LYS  88          1HZ       LYS  88   9.106   0.043  -8.852
  477    H    ALA  89           H        ALA  89   8.995   6.972  -3.611
  478    HA   ALA  89           HA       ALA  89   7.097   5.755  -1.936
  479   1HB   ALA  89          3HB       ALA  89   7.712   7.387  -0.286
  480   2HB   ALA  89          1HB       ALA  89   8.393   8.445  -1.522
  481   3HB   ALA  89          2HB       ALA  89   9.163   6.899  -1.162
  482    H    ILE  90           H        ILE  90   6.928   8.607  -3.964
  483    HA   ILE  90           HA       ILE  90   4.653   9.813  -2.854
  484    HB   ILE  90           HB       ILE  90   5.572   9.829  -5.732
  485   1HG1  ILE  90          2HG1      ILE  90   6.044  11.822  -3.502
  486   2HG1  ILE  90          1HG1      ILE  90   7.234  10.667  -4.089
  487   1HG2  ILE  90          2HG2      ILE  90   3.236  10.490  -5.547
  488   2HG2  ILE  90          1HG2      ILE  90   3.652  11.660  -4.295
  489   3HG2  ILE  90          3HG2      ILE  90   4.244  11.882  -5.942
  490   1HD1  ILE  90          1HD1      ILE  90   7.174  11.741  -6.287
  491   2HD1  ILE  90          3HD1      ILE  90   6.004  12.909  -5.675
  492   3HD1  ILE  90          2HD1      ILE  90   7.638  12.865  -5.010
  493    H    LYS  91           H        LYS  91   4.900   7.588  -5.633
  494    HA   LYS  91           HA       LYS  91   2.166   7.351  -6.140
  495   1HB   LYS  91          2HB       LYS  91   4.300   5.244  -6.532
  496   2HB   LYS  91          1HB       LYS  91   2.728   5.278  -7.318
  497   1HG   LYS  91          2HG       LYS  91   4.861   7.377  -7.654
  498   2HG   LYS  91          1HG       LYS  91   4.569   6.042  -8.770
  499   1HD   LYS  91          2HD       LYS  91   2.533   8.145  -8.034
  500   2HD   LYS  91          1HD       LYS  91   3.531   8.180  -9.489
  501   1HE   LYS  91          2HE       LYS  91   1.507   6.071  -8.743
  502   2HE   LYS  91          1HE       LYS  91   1.333   7.294 -10.001
  503   1HZ   LYS  91          2HZ       LYS  91   3.218   6.293 -11.160
  504   2HZ   LYS  91          1HZ       LYS  91   3.337   5.101  -9.966
  505   3HZ   LYS  91          3HZ       LYS  91   1.962   5.180 -10.950
  506    H    PHE  92           H        PHE  92   4.251   5.662  -3.877
  507    HA   PHE  92           HA       PHE  92   2.523   3.608  -3.099
  508   1HB   PHE  92          2HB       PHE  92   4.902   3.681  -2.495
  509   2HB   PHE  92          1HB       PHE  92   4.604   5.069  -1.458
  510    HD1  PHE  92           HD1      PHE  92   4.895   4.475   0.729
  511    HD2  PHE  92           HD2      PHE  92   2.860   1.790  -1.871
  512    HE1  PHE  92           HE1      PHE  92   4.469   2.966   2.626
  513    HE2  PHE  92           HE2      PHE  92   2.429   0.277   0.021
  514    HZ   PHE  92           HZ       PHE  92   3.235   0.864   2.273
  515    H    LYS  93           H        LYS  93   3.150   6.672  -1.384
  516    HA   LYS  93           HA       LYS  93   1.181   6.460   0.541
  517   1HB   LYS  93          2HB       LYS  93   2.900   8.167   0.645
  518   2HB   LYS  93          1HB       LYS  93   2.270   8.937  -0.802
  519   1HG   LYS  93          2HG       LYS  93   1.447  10.292   0.861
  520   2HG   LYS  93          1HG       LYS  93   0.094   9.195   0.588
  521   1HD   LYS  93          2HD       LYS  93   2.113   8.433   2.630
  522   2HD   LYS  93          1HD       LYS  93   0.996   9.741   3.022
  523   1HE   LYS  93          2HE       LYS  93  -0.885   8.225   2.417
  524   2HE   LYS  93          1HE       LYS  93   0.286   6.925   2.214
  525   1HZ   LYS  93          3HZ       LYS  93   0.925   7.204   4.538
  526   2HZ   LYS  93          2HZ       LYS  93  -0.237   8.419   4.725
  527   3HZ   LYS  93          1HZ       LYS  93  -0.720   6.832   4.391
  528    H    ILE  94           H        ILE  94   0.937   7.641  -2.768
  529    HA   ILE  94           HA       ILE  94  -1.607   8.778  -2.664
  530    HB   ILE  94           HB       ILE  94  -0.098   7.456  -4.902
  531   1HG1  ILE  94          2HG1      ILE  94  -0.951  10.328  -4.476
  532   2HG1  ILE  94          1HG1      ILE  94   0.624   9.686  -4.020
  533   1HG2  ILE  94          3HG2      ILE  94  -2.817   8.748  -5.069
  534   2HG2  ILE  94          2HG2      ILE  94  -1.829   8.268  -6.449
  535   3HG2  ILE  94          1HG2      ILE  94  -2.448   7.044  -5.337
  536   1HD1  ILE  94          3HD1      ILE  94  -0.487   9.784  -6.815
  537   2HD1  ILE  94          2HD1      ILE  94   0.710  10.886  -6.136
  538   3HD1  ILE  94          1HD1      ILE  94   1.102   9.180  -6.349
  539    H    LEU  95           H        LEU  95  -0.833   5.565  -4.000
  540    HA   LEU  95           HA       LEU  95  -3.351   4.570  -4.317
  541   1HB   LEU  95          2HB       LEU  95  -0.987   3.009  -3.278
  542   2HB   LEU  95          1HB       LEU  95  -2.399   2.339  -4.074
  543    HG   LEU  95           HG       LEU  95  -0.486   4.252  -5.404
  544   1HD1  LEU  95          3HD1      LEU  95   0.665   2.187  -4.799
  545   2HD1  LEU  95          2HD1      LEU  95  -0.603   1.246  -5.585
  546   3HD1  LEU  95          1HD1      LEU  95   0.430   2.307  -6.542
  547   1HD2  LEU  95          2HD2      LEU  95  -2.651   2.459  -6.498
  548   2HD2  LEU  95          1HD2      LEU  95  -2.721   4.217  -6.372
  549   3HD2  LEU  95          3HD2      LEU  95  -1.557   3.456  -7.457
  550    H    ILE  96           H        ILE  96  -1.557   4.920  -1.336
  551    HA   ILE  96           HA       ILE  96  -3.274   3.317   0.246
  552    HB   ILE  96           HB       ILE  96  -1.394   5.526   1.075
  553   1HG1  ILE  96          2HG1      ILE  96  -1.039   2.527   1.213
  554   2HG1  ILE  96          1HG1      ILE  96  -0.408   3.527  -0.090
  555   1HG2  ILE  96          3HG2      ILE  96  -2.797   3.441   2.743
  556   2HG2  ILE  96          2HG2      ILE  96  -1.524   4.514   3.322
  557   3HG2  ILE  96          1HG2      ILE  96  -3.067   5.183   2.791
  558   1HD1  ILE  96          1HD1      ILE  96   0.956   4.752   1.526
  559   2HD1  ILE  96          3HD1      ILE  96   0.335   3.724   2.817
  560   3HD1  ILE  96          2HD1      ILE  96   1.314   3.026   1.528
  561    H    ASN  97           H        ASN  97  -3.126   6.801  -0.388
  562    HA   ASN  97           HA       ASN  97  -5.079   7.654   1.393
  563   1HB   ASN  97          2HB       ASN  97  -3.671   9.209   0.131
  564   2HB   ASN  97          1HB       ASN  97  -4.463   8.733  -1.368
  565   1HD2  ASN  97          1HD2      ASN  97  -6.550   9.435  -1.787
  566   2HD2  ASN  97          2HD2      ASN  97  -7.285  10.723  -0.901
  567    H    LYS  98           H        LYS  98  -5.445   6.541  -1.960
  568    HA   LYS  98           HA       LYS  98  -8.248   6.851  -2.078
  569   1HB   LYS  98          2HB       LYS  98  -6.279   5.222  -3.661
  570   2HB   LYS  98          1HB       LYS  98  -8.005   5.101  -3.966
  571   1HG   LYS  98          2HG       LYS  98  -7.098   6.646  -5.524
  572   2HG   LYS  98          1HG       LYS  98  -8.036   7.566  -4.347
  573   1HD   LYS  98          2HD       LYS  98  -5.958   8.125  -3.155
  574   2HD   LYS  98          1HD       LYS  98  -5.035   7.235  -4.367
  575   1HE   LYS  98          2HE       LYS  98  -6.760   9.658  -4.871
  576   2HE   LYS  98          1HE       LYS  98  -4.998   9.635  -4.813
  577   1HZ   LYS  98          3HZ       LYS  98  -6.660   8.135  -6.767
  578   2HZ   LYS  98          2HZ       LYS  98  -5.857   9.589  -7.088
  579   3HZ   LYS  98          1HZ       LYS  98  -4.969   8.193  -6.732
  580    H    MET  99           H        MET  99  -6.177   4.248  -0.972
  581    HA   MET  99           HA       MET  99  -8.078   2.191  -0.840
  582   1HB   MET  99          2HB       MET  99  -5.665   1.806  -0.580
  583   2HB   MET  99          1HB       MET  99  -5.685   2.677   0.947
  584   1HG   MET  99          2HG       MET  99  -7.340   0.949   1.760
  585   2HG   MET  99          1HG       MET  99  -6.946   0.030   0.309
  586   1HE   MET  99          3HE       MET  99  -3.828   0.758  -0.001
  587   2HE   MET  99          2HE       MET  99  -3.096  -0.612   0.834
  588   3HE   MET  99          1HE       MET  99  -4.476  -0.865  -0.235
  589    H    ARG 100           H        ARG 100  -7.263   4.776   1.403
  590    HA   ARG 100           HA       ARG 100  -8.875   3.840   3.550
  591   1HB   ARG 100          2HB       ARG 100  -6.978   5.437   3.799
  592   2HB   ARG 100          1HB       ARG 100  -7.946   6.662   2.991
  593   1HG   ARG 100          2HG       ARG 100  -9.576   6.597   4.782
  594   2HG   ARG 100          1HG       ARG 100  -8.675   5.305   5.578
  595   1HD   ARG 100          2HD       ARG 100  -6.738   6.833   5.770
  596   2HD   ARG 100          1HD       ARG 100  -7.720   8.121   5.072
  597    HE   ARG 100           HE       ARG 100  -9.200   7.326   7.178
  598   1HH1  ARG 100          1HH1      ARG 100  -5.843   8.205   6.852
  599   2HH1  ARG 100          2HH1      ARG 100  -5.715   8.823   8.464
  600   1HH2  ARG 100          1HH2      ARG 100  -9.040   8.138   9.303
  601   2HH2  ARG 100          2HH2      ARG 100  -7.532   8.786   9.857
  602    H    ASP 101           H        ASP 101  -9.394   6.138   0.910
  603    HA   ASP 101           HA       ASP 101 -11.910   7.080   1.736
  604   1HB   ASP 101          2HB       ASP 101 -10.708   6.855  -1.029
  605   2HB   ASP 101          1HB       ASP 101 -12.211   7.702  -0.677
  606    H    SER 102           H        SER 102 -10.954   4.287  -0.176
  607    HA   SER 102           HA       SER 102 -12.098   2.506  -1.009
  608   1HB   SER 102          2HB       SER 102 -13.679   1.460   0.484
  609   2HB   SER 102          1HB       SER 102 -12.393   2.173   1.455
  610    HG   SER 102           HG       SER 102 -14.747   2.537   2.031
  611    H    LYS 103           H        LYS 103 -13.052   5.362  -1.634
  612    HA   LYS 103           HA       LYS 103 -14.685   6.394  -2.834
  613   1HB   LYS 103          2HB       LYS 103 -13.972   4.689  -4.462
  614   2HB   LYS 103          1HB       LYS 103 -15.172   3.577  -3.820
  615   1HG   LYS 103          2HG       LYS 103 -16.964   4.983  -4.574
  616   2HG   LYS 103          1HG       LYS 103 -15.824   6.236  -5.070
  617   1HD   LYS 103          2HD       LYS 103 -15.865   3.448  -6.218
  618   2HD   LYS 103          1HD       LYS 103 -16.706   4.822  -6.940
  619   1HE   LYS 103          2HE       LYS 103 -13.736   4.628  -6.442
  620   2HE   LYS 103          1HE       LYS 103 -14.534   4.436  -8.002
  621   1HZ   LYS 103          1HZ       LYS 103 -14.577   6.902  -6.346
  622   2HZ   LYS 103          3HZ       LYS 103 -13.613   6.659  -7.716
  623   3HZ   LYS 103          2HZ       LYS 103 -15.297   6.715  -7.865
  624    H    LEU 104           H        LEU 104 -15.988   7.040  -1.105
  625    HA   LEU 104           HA       LEU 104 -18.250   5.295  -0.433
  626   1HB   LEU 104          2HB       LEU 104 -16.819   6.241   1.396
  627   2HB   LEU 104          1HB       LEU 104 -17.378   7.836   0.938
  628    HG   LEU 104           HG       LEU 104 -19.711   7.108   1.446
  629   1HD1  LEU 104          1HD1      LEU 104 -18.329   4.675   2.569
  630   2HD1  LEU 104          3HD1      LEU 104 -20.031   5.086   2.783
  631   3HD1  LEU 104          2HD1      LEU 104 -19.410   4.708   1.175
  632   1HD2  LEU 104          2HD2      LEU 104 -18.394   8.381   3.059
  633   2HD2  LEU 104          1HD2      LEU 104 -19.454   7.229   3.871
  634   3HD2  LEU 104          3HD2      LEU 104 -17.732   6.883   3.711
  635    H    GLU 105           H        GLU 105 -18.024   8.819  -0.360
  636    HA   GLU 105           HA       GLU 105 -19.842   9.168  -2.560
  637   1HB   GLU 105          2HB       GLU 105 -21.285   8.479  -0.580
  638   2HB   GLU 105          1HB       GLU 105 -20.828  10.003   0.167
  639   1HG   GLU 105          2HG       GLU 105 -21.815  11.219  -1.708
  640   2HG   GLU 105          1HG       GLU 105 -22.274   9.690  -2.455
  641    H    TRP 106           H        TRP 106 -17.246  10.094  -2.044
  642    HA   TRP 106           HA       TRP 106 -17.741  12.983  -1.781
  643   1HB   TRP 106          2HB       TRP 106 -15.227  11.541  -0.919
  644   2HB   TRP 106          1HB       TRP 106 -15.559  13.261  -0.747
  645    HD1  TRP 106           HD1      TRP 106 -18.303  13.364   0.607
  646    HE1  TRP 106           HE1      TRP 106 -18.692  12.407   2.965
  647    HE3  TRP 106           HE3      TRP 106 -14.358  10.120   0.827
  648    HZ2  TRP 106           HZ2      TRP 106 -17.486  10.527   4.689
  649    HZ3  TRP 106           HZ3      TRP 106 -14.045   8.780   2.867
  650    HH2  TRP 106           HH2      TRP 106 -15.578   8.980   4.758
  651    H    LYS 107           H        LYS 107 -17.249  10.779  -3.975
  652    HA   LYS 107           HA       LYS 107 -15.462  12.482  -5.579
  653   1HB   LYS 107          2HB       LYS 107 -15.577   9.464  -5.716
  654   2HB   LYS 107          1HB       LYS 107 -14.519  10.515  -6.647
  655   1HG   LYS 107          2HG       LYS 107 -14.451  10.139  -3.659
  656   2HG   LYS 107          1HG       LYS 107 -13.324   9.442  -4.822
  657   1HD   LYS 107          2HD       LYS 107 -13.746  12.397  -4.373
  658   2HD   LYS 107          1HD       LYS 107 -12.423  11.449  -3.695
  659   1HE   LYS 107          2HE       LYS 107 -11.677  10.894  -5.969
  660   2HE   LYS 107          1HE       LYS 107 -12.983  11.878  -6.628
  661   1HZ   LYS 107          1HZ       LYS 107 -12.011  13.808  -5.508
  662   2HZ   LYS 107          3HZ       LYS 107 -10.732  12.850  -4.952
  663   3HZ   LYS 107          2HZ       LYS 107 -10.931  13.115  -6.610
  664    H    ASP 108           H        ASP 108 -16.894  13.482  -6.876
  665    HA   ASP 108           HA       ASP 108 -18.851  11.811  -8.308
  666   1HB   ASP 108          2HB       ASP 108 -18.944  14.776  -7.711
  667   2HB   ASP 108          1HB       ASP 108 -20.149  13.892  -8.642

  No H/Q in entry =         667
  Start of MODEL   16
    1    H1   GLY  24          2H        GLY  24 -17.252  -3.272  -4.588
    2    H2   GLY  24          1H        GLY  24 -16.925  -2.054  -5.716
    3    H3   GLY  24          3H        GLY  24 -18.513  -2.587  -5.483
    4   1HA   GLY  24          2HA       GLY  24 -16.284  -4.194  -6.607
    5   2HA   GLY  24          1HA       GLY  24 -17.604  -3.491  -7.529
    6    H    SER  25           H        SER  25 -18.159  -4.810  -4.363
    7    HA   SER  25           HA       SER  25 -19.384  -6.567  -3.611
    8   1HB   SER  25          2HB       SER  25 -20.552  -6.480  -6.402
    9   2HB   SER  25          1HB       SER  25 -21.224  -7.389  -5.049
   10    HG   SER  25           HG       SER  25 -21.084  -4.604  -5.429
   11    H    HIS  26           H        HIS  26 -16.846  -6.919  -5.359
   12    HA   HIS  26           HA       HIS  26 -17.140  -9.583  -6.411
   13   1HB   HIS  26          2HB       HIS  26 -14.709  -7.830  -6.006
   14   2HB   HIS  26          1HB       HIS  26 -14.665  -9.415  -6.771
   15    HD1  HIS  26           HD1      HIS  26 -15.997  -9.625  -9.071
   16    HD2  HIS  26           HD2      HIS  26 -15.433  -5.759  -7.652
   17    HE1  HIS  26           HE1      HIS  26 -16.451  -8.115 -11.032
   18    HE2  HIS  26           HE2      HIS  26 -16.122  -5.779 -10.145
   19    H    MET  27           H        MET  27 -16.431 -11.485  -5.542
   20    HA   MET  27           HA       MET  27 -16.279 -11.652  -2.709
   21   1HB   MET  27          2HB       MET  27 -17.170 -13.410  -4.345
   22   2HB   MET  27          1HB       MET  27 -15.491 -13.837  -4.631
   23   1HG   MET  27          2HG       MET  27 -16.726 -13.834  -1.895
   24   2HG   MET  27          1HG       MET  27 -16.741 -15.242  -2.954
   25   1HE   MET  27          2HE       MET  27 -14.566 -16.523  -3.748
   26   2HE   MET  27          1HE       MET  27 -13.907 -15.021  -4.394
   27   3HE   MET  27          3HE       MET  27 -12.926 -16.027  -3.329
   28    H    ASN  28           H        ASN  28 -14.547 -10.656  -1.817
   29    HA   ASN  28           HA       ASN  28 -11.999 -11.955  -2.032
   30   1HB   ASN  28          2HB       ASN  28 -11.984 -10.405  -4.000
   31   2HB   ASN  28          1HB       ASN  28 -12.157  -9.055  -2.882
   32   1HD2  ASN  28          1HD2      ASN  28 -10.050 -11.530  -4.088
   33   2HD2  ASN  28          2HD2      ASN  28  -8.590 -10.904  -3.408
   34    H    ASN  29           H        ASN  29 -10.358 -10.852  -0.584
   35    HA   ASN  29           HA       ASN  29 -11.378 -10.559   1.986
   36   1HB   ASN  29          2HB       ASN  29  -8.748  -9.568   0.868
   37   2HB   ASN  29          1HB       ASN  29  -9.128  -9.693   2.583
   38   1HD2  ASN  29          1HD2      ASN  29  -9.290 -11.720   3.536
   39   2HD2  ASN  29          2HD2      ASN  29  -8.657 -13.141   2.782
   40    H    GLU  30           H        GLU  30 -12.677  -9.016   2.704
   41    HA   GLU  30           HA       GLU  30 -12.368  -6.287   1.664
   42   1HB   GLU  30          2HB       GLU  30 -14.614  -7.741   1.786
   43   2HB   GLU  30          1HB       GLU  30 -14.672  -7.032   3.393
   44   1HG   GLU  30          2HG       GLU  30 -14.452  -5.474   0.827
   45   2HG   GLU  30          1HG       GLU  30 -15.945  -5.755   1.720
   46    H    ASP  31           H        ASP  31 -12.068  -8.236   4.498
   47    HA   ASP  31           HA       ASP  31 -12.284  -6.332   6.522
   48   1HB   ASP  31          2HB       ASP  31 -10.408  -8.706   6.430
   49   2HB   ASP  31          1HB       ASP  31 -10.936  -7.855   7.879
   50    H    PHE  32           H        PHE  32 -11.314  -4.392   6.302
   51    HA   PHE  32           HA       PHE  32  -8.727  -4.037   5.170
   52   1HB   PHE  32          2HB       PHE  32 -10.517  -2.319   5.101
   53   2HB   PHE  32          1HB       PHE  32 -10.355  -2.112   6.842
   54    HD1  PHE  32           HD1      PHE  32  -8.247  -2.072   3.770
   55    HD2  PHE  32           HD2      PHE  32  -9.037  -0.401   7.599
   56    HE1  PHE  32           HE1      PHE  32  -6.483  -0.395   3.395
   57    HE2  PHE  32           HE2      PHE  32  -7.276   1.282   7.236
   58    HZ   PHE  32           HZ       PHE  32  -5.997   1.286   5.130
   59    H    SER  33           H        SER  33  -9.698  -5.159   8.162
   60    HA   SER  33           HA       SER  33  -7.350  -4.092   9.554
   61   1HB   SER  33          2HB       SER  33  -9.732  -5.615  10.635
   62   2HB   SER  33          1HB       SER  33  -8.405  -4.976  11.604
   63    HG   SER  33           HG       SER  33 -10.225  -3.574  11.558
   64    H    GLN  34           H        GLN  34  -8.393  -6.875   7.921
   65    HA   GLN  34           HA       GLN  34  -6.567  -8.617   9.410
   66   1HB   GLN  34          2HB       GLN  34  -8.964  -9.291   8.816
   67   2HB   GLN  34          1HB       GLN  34  -8.388  -9.461   7.163
   68   1HG   GLN  34          2HG       GLN  34  -8.409 -11.603   8.276
   69   2HG   GLN  34          1HG       GLN  34  -6.755 -11.123   7.906
   70   1HE2  GLN  34          1HE2      GLN  34  -9.096 -11.660  10.408
   71   2HE2  GLN  34          2HE2      GLN  34  -7.991 -11.622  11.735
   72    H    TRP  35           H        TRP  35  -5.834  -6.454   7.373
   73    HA   TRP  35           HA       TRP  35  -4.751  -7.866   5.132
   74   1HB   TRP  35          2HB       TRP  35  -4.547  -5.069   6.172
   75   2HB   TRP  35          1HB       TRP  35  -3.385  -5.618   4.967
   76    HD1  TRP  35           HD1      TRP  35  -7.245  -5.503   5.363
   77    HE1  TRP  35           HE1      TRP  35  -8.261  -5.014   3.049
   78    HE3  TRP  35           HE3      TRP  35  -2.951  -5.430   2.596
   79    HZ2  TRP  35           HZ2      TRP  35  -7.359  -4.648   0.400
   80    HZ3  TRP  35           HZ3      TRP  35  -3.111  -5.002   0.179
   81    HH2  TRP  35           HH2      TRP  35  -5.272  -4.620  -0.896
   82    H    SER  36           H        SER  36  -2.930  -8.985   5.019
   83    HA   SER  36           HA       SER  36  -1.039  -8.815   7.251
   84   1HB   SER  36          2HB       SER  36  -1.934 -11.048   6.743
   85   2HB   SER  36          1HB       SER  36  -1.321 -10.925   5.096
   86    HG   SER  36           HG       SER  36   0.318 -10.762   7.403
   87    H    VAL  37           H        VAL  37   1.311  -9.220   6.605
   88    HA   VAL  37           HA       VAL  37   2.224  -7.094   5.046
   89    HB   VAL  37           HB       VAL  37   3.728  -9.621   5.744
   90   1HG1  VAL  37          1HG1      VAL  37   4.706  -6.886   4.932
   91   2HG1  VAL  37          3HG1      VAL  37   5.730  -8.197   5.517
   92   3HG1  VAL  37          2HG1      VAL  37   4.849  -8.377   4.000
   93   1HG2  VAL  37          1HG2      VAL  37   3.485  -7.006   7.231
   94   2HG2  VAL  37          3HG2      VAL  37   2.834  -8.566   7.736
   95   3HG2  VAL  37          2HG2      VAL  37   4.578  -8.323   7.657
   96    H    ASP  38           H        ASP  38   1.794 -10.509   4.237
   97    HA   ASP  38           HA       ASP  38   2.979 -10.426   1.687
   98   1HB   ASP  38          2HB       ASP  38   2.535 -12.533   2.829
   99   2HB   ASP  38          1HB       ASP  38   0.801 -12.237   2.751
  100    H    ASP  39           H        ASP  39  -0.266  -9.680   2.807
  101    HA   ASP  39           HA       ASP  39  -1.448  -9.520   0.220
  102   1HB   ASP  39          2HB       ASP  39  -2.308  -8.393   2.889
  103   2HB   ASP  39          1HB       ASP  39  -3.289  -8.317   1.427
  104    H    VAL  40           H        VAL  40  -0.254  -7.057   2.497
  105    HA   VAL  40           HA       VAL  40  -0.869  -4.811   0.951
  106    HB   VAL  40           HB       VAL  40   1.434  -5.134   2.882
  107   1HG1  VAL  40          3HG1      VAL  40   1.635  -3.167   1.417
  108   2HG1  VAL  40          2HG1      VAL  40   0.035  -2.634   1.936
  109   3HG1  VAL  40          1HG1      VAL  40   1.357  -2.720   3.099
  110   1HG2  VAL  40          3HG2      VAL  40  -1.398  -4.200   3.336
  111   2HG2  VAL  40          2HG2      VAL  40  -0.685  -5.700   3.925
  112   3HG2  VAL  40          1HG2      VAL  40  -0.103  -4.150   4.532
  113    H    ILE  41           H        ILE  41   2.034  -6.838   0.994
  114    HA   ILE  41           HA       ILE  41   3.577  -5.257  -0.760
  115    HB   ILE  41           HB       ILE  41   3.710  -8.169  -0.017
  116   1HG1  ILE  41          2HG1      ILE  41   5.689  -5.961   0.521
  117   2HG1  ILE  41          1HG1      ILE  41   4.333  -6.284   1.594
  118   1HG2  ILE  41          1HG2      ILE  41   5.546  -6.653  -1.865
  119   2HG2  ILE  41          3HG2      ILE  41   5.919  -8.221  -1.149
  120   3HG2  ILE  41          2HG2      ILE  41   4.560  -8.061  -2.262
  121   1HD1  ILE  41          3HD1      ILE  41   6.508  -8.235   0.875
  122   2HD1  ILE  41          2HD1      ILE  41   6.380  -7.335   2.386
  123   3HD1  ILE  41          1HD1      ILE  41   5.162  -8.542   1.971
  124    H    THR  42           H        THR  42   1.825  -8.295  -1.423
  125    HA   THR  42           HA       THR  42   2.251  -8.467  -4.130
  126    HB   THR  42           HB       THR  42  -0.315  -9.203  -2.708
  127    HG1  THR  42           HG1      THR  42   2.176 -10.174  -2.478
  128   1HG2  THR  42          3HG2      THR  42   0.885 -10.208  -5.292
  129   2HG2  THR  42          2HG2      THR  42  -0.556 -10.860  -4.510
  130   3HG2  THR  42          1HG2      THR  42  -0.561  -9.211  -5.136
  131    H    TRP  43           H        TRP  43  -0.613  -6.938  -2.611
  132    HA   TRP  43           HA       TRP  43  -1.699  -5.976  -5.006
  133   1HB   TRP  43          2HB       TRP  43  -3.011  -6.087  -2.941
  134   2HB   TRP  43          1HB       TRP  43  -2.001  -4.836  -2.220
  135    HD1  TRP  43           HD1      TRP  43  -4.719  -5.317  -4.886
  136    HE1  TRP  43           HE1      TRP  43  -5.740  -3.020  -5.440
  137    HE3  TRP  43           HE3      TRP  43  -1.548  -2.343  -2.188
  138    HZ2  TRP  43           HZ2      TRP  43  -5.261  -0.310  -4.824
  139    HZ3  TRP  43           HZ3      TRP  43  -1.900   0.092  -2.224
  140    HH2  TRP  43           HH2      TRP  43  -3.721   1.087  -3.514
  141    H    CYS  44           H        CYS  44   0.452  -4.394  -2.664
  142    HA   CYS  44           HA       CYS  44   0.549  -1.862  -3.772
  143   1HB   CYS  44          2HB       CYS  44   1.611  -2.366  -1.645
  144   2HB   CYS  44          1HB       CYS  44   2.778  -3.415  -2.442
  145    HG   CYS  44           HG       CYS  44   2.585  -0.079  -3.148
  146    H    ILE  45           H        ILE  45   3.128  -4.264  -4.255
  147    HA   ILE  45           HA       ILE  45   4.454  -3.077  -6.330
  148    HB   ILE  45           HB       ILE  45   3.993  -6.046  -6.015
  149   1HG1  ILE  45          2HG1      ILE  45   6.238  -4.328  -4.937
  150   2HG1  ILE  45          1HG1      ILE  45   4.873  -4.892  -3.979
  151   1HG2  ILE  45          3HG2      ILE  45   4.909  -5.460  -8.197
  152   2HG2  ILE  45          2HG2      ILE  45   6.197  -4.539  -7.418
  153   3HG2  ILE  45          1HG2      ILE  45   6.113  -6.288  -7.209
  154   1HD1  ILE  45          2HD1      ILE  45   5.551  -7.210  -4.420
  155   2HD1  ILE  45          1HD1      ILE  45   6.946  -6.612  -5.318
  156   3HD1  ILE  45          3HD1      ILE  45   6.802  -6.283  -3.592
  157    H    SER  46           H        SER  46   1.630  -5.204  -6.555
  158    HA   SER  46           HA       SER  46   1.543  -5.499  -9.323
  159   1HB   SER  46          2HB       SER  46   0.172  -6.848  -7.824
  160   2HB   SER  46          1HB       SER  46  -0.753  -5.422  -7.356
  161    HG   SER  46           HG       SER  46  -0.603  -5.961 -10.074
  162    H    THR  47           H        THR  47   0.584  -2.785  -7.342
  163    HA   THR  47           HA       THR  47  -0.248  -1.379  -9.796
  164    HB   THR  47           HB       THR  47  -1.963  -0.178  -8.573
  165    HG1  THR  47           HG1      THR  47  -1.749  -0.074  -6.477
  166   1HG2  THR  47          2HG2      THR  47  -2.153  -3.165  -8.167
  167   2HG2  THR  47          1HG2      THR  47  -3.508  -2.040  -8.056
  168   3HG2  THR  47          3HG2      THR  47  -2.667  -2.261  -9.592
  169    H    LEU  48           H        LEU  48   2.267  -1.431  -7.920
  170    HA   LEU  48           HA       LEU  48   2.279   1.381  -7.117
  171   1HB   LEU  48          2HB       LEU  48   3.185  -0.649  -5.739
  172   2HB   LEU  48          1HB       LEU  48   4.599  -0.477  -6.755
  173    HG   LEU  48           HG       LEU  48   4.870   0.641  -4.587
  174   1HD1  LEU  48          2HD1      LEU  48   6.081   1.500  -6.521
  175   2HD1  LEU  48          1HD1      LEU  48   4.733   2.574  -6.894
  176   3HD1  LEU  48          3HD1      LEU  48   5.651   2.795  -5.404
  177   1HD2  LEU  48          3HD2      LEU  48   2.529   1.225  -4.197
  178   2HD2  LEU  48          2HD2      LEU  48   3.583   2.631  -4.041
  179   3HD2  LEU  48          1HD2      LEU  48   2.609   2.416  -5.495
  180    H    GLU  49           H        GLU  49   4.783  -0.671  -8.635
  181    HA   GLU  49           HA       GLU  49   5.085   1.333 -10.734
  182   1HB   GLU  49          2HB       GLU  49   6.619   1.997  -8.917
  183   2HB   GLU  49          1HB       GLU  49   7.396   0.423  -9.017
  184   1HG   GLU  49          2HG       GLU  49   8.693   2.127 -10.160
  185   2HG   GLU  49          1HG       GLU  49   8.113   0.902 -11.289
  186    H    VAL  50           H        VAL  50   6.879  -1.494  -9.534
  187    HA   VAL  50           HA       VAL  50   6.899  -2.557 -12.277
  188    HB   VAL  50           HB       VAL  50   8.864  -3.830 -11.647
  189   1HG1  VAL  50          3HG1      VAL  50   9.150  -1.495 -12.394
  190   2HG1  VAL  50          2HG1      VAL  50   9.134  -0.975 -10.708
  191   3HG1  VAL  50          1HG1      VAL  50  10.431  -2.015 -11.298
  192   1HG2  VAL  50          2HG2      VAL  50   8.500  -2.625  -8.904
  193   2HG2  VAL  50          1HG2      VAL  50   8.286  -4.321  -9.336
  194   3HG2  VAL  50          3HG2      VAL  50   9.885  -3.584  -9.428
  195    H    GLU  51           H        GLU  51   7.627  -5.157 -11.726
  196    HA   GLU  51           HA       GLU  51   5.120  -6.251 -10.670
  197   1HB   GLU  51          2HB       GLU  51   5.866  -8.340 -11.830
  198   2HB   GLU  51          1HB       GLU  51   5.635  -6.970 -12.907
  199   1HG   GLU  51          2HG       GLU  51   7.970  -6.619 -13.104
  200   2HG   GLU  51          1HG       GLU  51   8.315  -7.758 -11.802
  201    H    GLU  52           H        GLU  52   5.748  -8.758  -9.920
  202    HA   GLU  52           HA       GLU  52   7.088  -8.330  -7.425
  203   1HB   GLU  52          2HB       GLU  52   6.130 -10.924  -8.653
  204   2HB   GLU  52          1HB       GLU  52   6.589 -10.683  -6.973
  205   1HG   GLU  52          2HG       GLU  52   4.734  -9.073  -6.735
  206   2HG   GLU  52          1HG       GLU  52   4.249  -9.429  -8.392
  207    H    THR  53           H        THR  53   9.122  -7.638  -8.445
  208    HA   THR  53           HA       THR  53  10.950  -9.907  -8.675
  209    HB   THR  53           HB       THR  53  12.138  -8.896 -10.573
  210    HG1  THR  53           HG1      THR  53  11.722  -6.815 -10.773
  211   1HG2  THR  53          3HG2      THR  53   9.198  -9.334 -11.113
  212   2HG2  THR  53          2HG2      THR  53  10.478  -9.364 -12.327
  213   3HG2  THR  53          1HG2      THR  53  10.443 -10.583 -11.052
  214    H    ASP  54           H        ASP  54  10.633  -6.390  -8.632
  215    HA   ASP  54           HA       ASP  54  13.173  -5.736  -7.691
  216   1HB   ASP  54          2HB       ASP  54  11.676  -4.080  -8.642
  217   2HB   ASP  54          1HB       ASP  54  10.520  -4.325  -7.341
  218    HA   PRO  55           HA       PRO  55  13.347  -7.044  -3.467
  219   1HB   PRO  55          2HB       PRO  55  14.570  -4.392  -2.911
  220   2HB   PRO  55          1HB       PRO  55  15.178  -6.011  -2.555
  221   1HG   PRO  55          2HG       PRO  55  16.216  -4.597  -4.548
  222   2HG   PRO  55          1HG       PRO  55  15.945  -6.342  -4.724
  223   1HD   PRO  55          2HD       PRO  55  14.346  -4.056  -5.803
  224   2HD   PRO  55          1HD       PRO  55  14.767  -5.599  -6.572
  225    H    LEU  56           H        LEU  56  11.390  -4.536  -4.478
  226    HA   LEU  56           HA       LEU  56  10.627  -3.057  -2.334
  227   1HB   LEU  56          2HB       LEU  56   9.260  -4.099  -4.707
  228   2HB   LEU  56          1HB       LEU  56   8.178  -3.737  -3.377
  229    HG   LEU  56           HG       LEU  56  10.072  -1.804  -4.720
  230   1HD1  LEU  56          3HD1      LEU  56   8.075  -2.358  -6.023
  231   2HD1  LEU  56          2HD1      LEU  56   7.061  -1.929  -4.645
  232   3HD1  LEU  56          1HD1      LEU  56   8.034  -0.692  -5.444
  233   1HD2  LEU  56          2HD2      LEU  56   8.177  -1.390  -2.409
  234   2HD2  LEU  56          1HD2      LEU  56   9.937  -1.291  -2.356
  235   3HD2  LEU  56          3HD2      LEU  56   9.014  -0.105  -3.280
  236    H    CYS  57           H        CYS  57   9.550  -6.370  -3.027
  237    HA   CYS  57           HA       CYS  57   7.798  -6.630  -0.852
  238   1HB   CYS  57          2HB       CYS  57   8.042  -9.067  -1.203
  239   2HB   CYS  57          1HB       CYS  57   7.755  -8.196  -2.706
  240    HG   CYS  57           HG       CYS  57  10.751  -8.163  -3.015
  241    H    GLN  58           H        GLN  58  11.264  -7.237  -1.135
  242    HA   GLN  58           HA       GLN  58  11.637  -8.505   1.341
  243   1HB   GLN  58          2HB       GLN  58  13.561  -6.787  -0.235
  244   2HB   GLN  58          1HB       GLN  58  14.009  -7.840   1.099
  245   1HG   GLN  58          2HG       GLN  58  13.258  -9.780  -0.167
  246   2HG   GLN  58          1HG       GLN  58  12.781  -8.731  -1.500
  247   1HE2  GLN  58          1HE2      GLN  58  15.647  -8.200   0.415
  248   2HE2  GLN  58          2HE2      GLN  58  16.787  -8.588  -0.824
  249    H    ARG  59           H        ARG  59  11.837  -5.076   0.439
  250    HA   ARG  59           HA       ARG  59  12.598  -4.137   2.993
  251   1HB   ARG  59          2HB       ARG  59  11.238  -2.756   0.678
  252   2HB   ARG  59          1HB       ARG  59  11.773  -1.918   2.127
  253   1HG   ARG  59          2HG       ARG  59  13.585  -3.493   0.313
  254   2HG   ARG  59          1HG       ARG  59  13.345  -1.748   0.219
  255   1HD   ARG  59          2HD       ARG  59  14.145  -1.532   2.533
  256   2HD   ARG  59          1HD       ARG  59  14.419  -3.272   2.592
  257    HE   ARG  59           HE       ARG  59  15.821  -2.250   0.404
  258   1HH1  ARG  59          1HH1      ARG  59  15.860  -2.065   3.884
  259   2HH1  ARG  59          2HH1      ARG  59  17.565  -1.776   3.978
  260   1HH2  ARG  59          1HH2      ARG  59  18.067  -1.868   0.520
  261   2HH2  ARG  59          2HH2      ARG  59  18.819  -1.660   2.067
  262    H    LEU  60           H        LEU  60   9.431  -4.056   1.364
  263    HA   LEU  60           HA       LEU  60   7.934  -3.011   3.449
  264   1HB   LEU  60          2HB       LEU  60   7.055  -5.037   1.390
  265   2HB   LEU  60          1HB       LEU  60   5.989  -4.035   2.355
  266    HG   LEU  60           HG       LEU  60   7.998  -2.910   0.408
  267   1HD1  LEU  60          3HD1      LEU  60   5.062  -3.464  -0.002
  268   2HD1  LEU  60          2HD1      LEU  60   6.109  -2.580  -1.114
  269   3HD1  LEU  60          1HD1      LEU  60   6.400  -4.291  -0.800
  270   1HD2  LEU  60          3HD2      LEU  60   5.602  -1.702   1.785
  271   2HD2  LEU  60          2HD2      LEU  60   7.293  -1.372   2.160
  272   3HD2  LEU  60          1HD2      LEU  60   6.625  -0.891   0.600
  273    H    ARG  61           H        ARG  61   9.067  -6.283   2.936
  274    HA   ARG  61           HA       ARG  61   7.376  -7.493   4.890
  275   1HB   ARG  61          2HB       ARG  61   8.354  -8.798   3.066
  276   2HB   ARG  61          1HB       ARG  61   9.968  -8.471   3.682
  277   1HG   ARG  61          2HG       ARG  61   9.549  -9.761   5.653
  278   2HG   ARG  61          1HG       ARG  61   7.849  -9.949   5.224
  279   1HD   ARG  61          2HD       ARG  61  10.149 -10.987   3.575
  280   2HD   ARG  61          1HD       ARG  61   9.243 -11.952   4.739
  281    HE   ARG  61           HE       ARG  61   7.420 -10.811   2.957
  282   1HH1  ARG  61          1HH1      ARG  61  10.015 -13.134   2.944
  283   2HH1  ARG  61          2HH1      ARG  61   9.344 -14.071   1.653
  284   1HH2  ARG  61          1HH2      ARG  61   6.526 -12.039   1.256
  285   2HH2  ARG  61          2HH2      ARG  61   7.359 -13.448   0.691
  286    H    GLU  62           H        GLU  62  10.714  -6.292   4.917
  287    HA   GLU  62           HA       GLU  62  11.480  -7.171   7.439
  288   1HB   GLU  62          2HB       GLU  62  12.229  -4.683   5.907
  289   2HB   GLU  62          1HB       GLU  62  12.980  -5.117   7.437
  290   1HG   GLU  62          2HG       GLU  62  13.784  -7.196   6.472
  291   2HG   GLU  62          1HG       GLU  62  12.995  -6.805   4.945
  292    H    ASN  63           H        ASN  63   9.906  -4.107   6.553
  293    HA   ASN  63           HA       ASN  63   9.472  -3.495   9.365
  294   1HB   ASN  63          2HB       ASN  63   8.779  -1.946   6.859
  295   2HB   ASN  63          1HB       ASN  63   8.492  -1.375   8.500
  296   1HD2  ASN  63          1HD2      ASN  63  10.888  -2.091   6.089
  297   2HD2  ASN  63          2HD2      ASN  63  12.198  -1.264   6.856
  298    H    ASP  64           H        ASP  64   8.007  -5.077   9.987
  299    HA   ASP  64           HA       ASP  64   5.698  -5.857   8.669
  300   1HB   ASP  64          2HB       ASP  64   6.177  -5.651  11.649
  301   2HB   ASP  64          1HB       ASP  64   4.859  -6.546  10.901
  302    H    ILE  65           H        ILE  65   4.348  -4.389   7.802
  303    HA   ILE  65           HA       ILE  65   3.118  -2.440   9.638
  304    HB   ILE  65           HB       ILE  65   3.782  -2.004   6.723
  305   1HG1  ILE  65          2HG1      ILE  65   5.711  -1.763   8.228
  306   2HG1  ILE  65          1HG1      ILE  65   5.239  -0.215   7.540
  307   1HG2  ILE  65          1HG2      ILE  65   2.313  -0.228   8.665
  308   2HG2  ILE  65          3HG2      ILE  65   2.862   0.260   7.062
  309   3HG2  ILE  65          2HG2      ILE  65   1.645  -1.006   7.230
  310   1HD1  ILE  65          1HD1      ILE  65   4.589  -1.187  10.313
  311   2HD1  ILE  65          3HD1      ILE  65   5.822  -0.003   9.884
  312   3HD1  ILE  65          2HD1      ILE  65   4.117   0.367   9.627
  313    H    VAL  66           H        VAL  66   1.092  -3.058   9.988
  314    HA   VAL  66           HA       VAL  66  -0.364  -4.763   8.232
  315    HB   VAL  66           HB       VAL  66  -0.703  -4.711  10.691
  316   1HG1  VAL  66          2HG1      VAL  66  -0.554  -2.311  11.040
  317   2HG1  VAL  66          1HG1      VAL  66  -2.059  -2.075  10.150
  318   3HG1  VAL  66          3HG1      VAL  66  -2.069  -2.943  11.685
  319   1HG2  VAL  66          2HG2      VAL  66  -2.409  -5.672   9.211
  320   2HG2  VAL  66          1HG2      VAL  66  -3.117  -4.956  10.658
  321   3HG2  VAL  66          3HG2      VAL  66  -3.203  -4.099   9.120
  322    H    GLY  67           H        GLY  67  -2.557  -4.171   7.377
  323   1HA   GLY  67          1HA       GLY  67  -3.855  -2.913   5.963
  324   2HA   GLY  67          2HA       GLY  67  -2.375  -2.069   5.542
  325    H    ASP  68           H        ASP  68  -3.593  -2.098   8.812
  326    HA   ASP  68           HA       ASP  68  -5.016   0.384   8.580
  327   1HB   ASP  68          2HB       ASP  68  -5.605  -1.389  10.233
  328   2HB   ASP  68          1HB       ASP  68  -4.101  -1.043  11.085
  329    H    LEU  69           H        LEU  69  -1.749  -0.437   8.922
  330    HA   LEU  69           HA       LEU  69  -1.104   2.165  10.126
  331   1HB   LEU  69          2HB       LEU  69   0.220  -0.489  10.116
  332   2HB   LEU  69          1HB       LEU  69   1.264   0.918  10.110
  333    HG   LEU  69           HG       LEU  69   0.421   1.672  12.207
  334   1HD1  LEU  69          3HD1      LEU  69  -1.689  -0.447  11.874
  335   2HD1  LEU  69          2HD1      LEU  69  -1.365   0.372  13.401
  336   3HD1  LEU  69          1HD1      LEU  69  -1.915   1.296  12.004
  337   1HD2  LEU  69          3HD2      LEU  69   2.065  -0.146  12.295
  338   2HD2  LEU  69          2HD2      LEU  69   0.963  -0.187  13.672
  339   3HD2  LEU  69          1HD2      LEU  69   0.751  -1.321  12.338
  340    H    LEU  70           H        LEU  70  -1.587   1.072   7.156
  341    HA   LEU  70           HA       LEU  70   0.809   1.723   5.796
  342   1HB   LEU  70          2HB       LEU  70  -2.039   1.618   4.810
  343   2HB   LEU  70          1HB       LEU  70  -0.651   1.855   3.767
  344    HG   LEU  70           HG       LEU  70  -1.257  -0.598   5.418
  345   1HD1  LEU  70          3HD1      LEU  70  -2.617  -0.342   3.392
  346   2HD1  LEU  70          2HD1      LEU  70  -1.144  -0.189   2.434
  347   3HD1  LEU  70          1HD1      LEU  70  -1.497  -1.700   3.271
  348   1HD2  LEU  70          3HD2      LEU  70   1.095  -0.024   3.618
  349   2HD2  LEU  70          2HD2      LEU  70   1.143  -0.189   5.374
  350   3HD2  LEU  70          1HD2      LEU  70   0.727  -1.577   4.368
  351    HA   PRO  71           HA       PRO  71  -1.071   6.053   5.075
  352   1HB   PRO  71          2HB       PRO  71  -3.336   6.810   6.268
  353   2HB   PRO  71          1HB       PRO  71  -3.364   5.809   4.810
  354   1HG   PRO  71          2HG       PRO  71  -3.695   4.993   7.673
  355   2HG   PRO  71          1HG       PRO  71  -4.620   4.478   6.251
  356   1HD   PRO  71          2HD       PRO  71  -2.574   3.022   7.368
  357   2HD   PRO  71          1HD       PRO  71  -3.065   2.902   5.668
  358    H    GLU  72           H        GLU  72  -0.607   4.583   8.042
  359    HA   GLU  72           HA       GLU  72  -0.595   6.973   9.666
  360   1HB   GLU  72          2HB       GLU  72  -1.208   4.774  10.614
  361   2HB   GLU  72          1HB       GLU  72   0.420   4.193  10.289
  362   1HG   GLU  72          2HG       GLU  72   0.212   4.774  12.610
  363   2HG   GLU  72          1HG       GLU  72   1.311   5.899  11.816
  364    H    LEU  73           H        LEU  73   1.690   5.041   7.875
  365    HA   LEU  73           HA       LEU  73   4.062   6.026   9.051
  366   1HB   LEU  73          2HB       LEU  73   3.628   4.987   6.249
  367   2HB   LEU  73          1HB       LEU  73   5.181   5.174   7.043
  368    HG   LEU  73           HG       LEU  73   2.998   3.301   7.961
  369   1HD1  LEU  73          2HD1      LEU  73   3.925   2.604   5.819
  370   2HD1  LEU  73          1HD1      LEU  73   5.557   2.728   6.476
  371   3HD1  LEU  73          3HD1      LEU  73   4.440   1.521   7.114
  372   1HD2  LEU  73          1HD2      LEU  73   4.437   4.081   9.774
  373   2HD2  LEU  73          3HD2      LEU  73   4.728   2.379   9.418
  374   3HD2  LEU  73          2HD2      LEU  73   5.864   3.604   8.853
  375    H    CYS  74           H        CYS  74   5.711   7.143   7.406
  376    HA   CYS  74           HA       CYS  74   4.369   9.516   6.291
  377   1HB   CYS  74          2HB       CYS  74   5.461  10.000   8.479
  378   2HB   CYS  74          1HB       CYS  74   7.001   9.510   7.783
  379    HG   CYS  74           HG       CYS  74   5.923  12.463   7.939
  380    H    LEU  75           H        LEU  75   5.881  10.759   4.796
  381    HA   LEU  75           HA       LEU  75   6.629   9.130   2.658
  382   1HB   LEU  75          2HB       LEU  75   7.272  11.981   3.357
  383   2HB   LEU  75          1HB       LEU  75   7.908  11.237   1.904
  384    HG   LEU  75           HG       LEU  75   5.933  12.542   1.382
  385   1HD1  LEU  75          2HD1      LEU  75   5.392   9.581   1.221
  386   2HD1  LEU  75          1HD1      LEU  75   4.594  10.829   0.264
  387   3HD1  LEU  75          3HD1      LEU  75   6.322  10.537   0.067
  388   1HD2  LEU  75          3HD2      LEU  75   4.857  12.427   3.583
  389   2HD2  LEU  75          2HD2      LEU  75   3.747  11.996   2.283
  390   3HD2  LEU  75          1HD2      LEU  75   4.455  10.734   3.291
  391    H    GLN  76           H        GLN  76   8.383  10.046   5.489
  392    HA   GLN  76           HA       GLN  76  10.996   9.530   4.432
  393   1HB   GLN  76          2HB       GLN  76  10.013   9.724   7.284
  394   2HB   GLN  76          1HB       GLN  76  11.703   9.593   6.819
  395   1HG   GLN  76          2HG       GLN  76   9.837  11.842   6.096
  396   2HG   GLN  76          1HG       GLN  76  11.096  11.889   7.327
  397   1HE2  GLN  76          1HE2      GLN  76  12.954  10.323   5.696
  398   2HE2  GLN  76          2HE2      GLN  76  13.540  11.399   4.479
  399    H    ASP  77           H        ASP  77   8.715   7.729   6.465
  400    HA   ASP  77           HA       ASP  77  10.339   5.451   6.829
  401   1HB   ASP  77          2HB       ASP  77   7.323   5.708   6.888
  402   2HB   ASP  77          1HB       ASP  77   8.228   4.314   7.470
  403    H    CYS  78           H        CYS  78   8.282   6.497   4.239
  404    HA   CYS  78           HA       CYS  78   8.204   3.911   2.948
  405   1HB   CYS  78          2HB       CYS  78   7.383   6.627   1.895
  406   2HB   CYS  78          1HB       CYS  78   6.984   5.071   1.177
  407    HG   CYS  78           HG       CYS  78   4.883   6.531   2.716
  408    H    GLN  79           H        GLN  79   9.983   6.925   2.676
  409    HA   GLN  79           HA       GLN  79  11.226   6.455   0.202
  410   1HB   GLN  79          2HB       GLN  79  11.155   8.603   1.644
  411   2HB   GLN  79          1HB       GLN  79  12.562   7.931   2.456
  412   1HG   GLN  79          2HG       GLN  79  13.767   7.869   0.344
  413   2HG   GLN  79          1HG       GLN  79  12.348   8.501  -0.492
  414   1HE2  GLN  79          1HE2      GLN  79  13.401  10.333  -1.212
  415   2HE2  GLN  79          2HE2      GLN  79  13.853  11.625  -0.160
  416    H    ASP  80           H        ASP  80  12.090   5.536   3.493
  417    HA   ASP  80           HA       ASP  80  14.641   4.464   2.893
  418   1HB   ASP  80          2HB       ASP  80  14.001   5.034   5.182
  419   2HB   ASP  80          1HB       ASP  80  12.727   3.817   5.150
  420    H    LEU  81           H        LEU  81  11.405   3.274   2.631
  421    HA   LEU  81           HA       LEU  81  12.147   0.508   2.321
  422   1HB   LEU  81          2HB       LEU  81   9.644   2.094   2.316
  423   2HB   LEU  81          1HB       LEU  81   9.619   0.592   1.416
  424    HG   LEU  81           HG       LEU  81   9.986  -0.709   3.350
  425   1HD1  LEU  81          1HD1      LEU  81  10.718   1.861   4.741
  426   2HD1  LEU  81          3HD1      LEU  81  10.470   0.322   5.564
  427   3HD1  LEU  81          2HD1      LEU  81  11.774   0.494   4.391
  428   1HD2  LEU  81          2HD2      LEU  81   7.721   0.198   3.165
  429   2HD2  LEU  81          1HD2      LEU  81   8.190  -0.045   4.848
  430   3HD2  LEU  81          3HD2      LEU  81   8.196   1.578   4.157
  431    H    CYS  82           H        CYS  82  12.117   3.239   0.330
  432    HA   CYS  82           HA       CYS  82  11.889   1.623  -2.113
  433   1HB   CYS  82          2HB       CYS  82  11.820   4.623  -1.734
  434   2HB   CYS  82          1HB       CYS  82  11.702   3.803  -3.287
  435    HG   CYS  82           HG       CYS  82   9.377   4.180  -0.882
  436    H    ASP  83           H        ASP  83  13.348   2.757  -3.938
  437    HA   ASP  83           HA       ASP  83  16.030   2.152  -3.197
  438   1HB   ASP  83          2HB       ASP  83  16.586   2.736  -5.515
  439   2HB   ASP  83          1HB       ASP  83  15.175   1.685  -5.449
  440    H    GLY  84           H        GLY  84  14.165   4.944  -2.914
  441   1HA   GLY  84          1HA       GLY  84  16.592   6.628  -2.794
  442   2HA   GLY  84          2HA       GLY  84  15.360   6.677  -1.544
  443    H    ASP  85           H        ASP  85  14.126   6.249  -4.685
  444    HA   ASP  85           HA       ASP  85  14.020   8.954  -5.528
  445   1HB   ASP  85          2HB       ASP  85  13.750   7.012  -7.054
  446   2HB   ASP  85          1HB       ASP  85  12.194   6.668  -6.304
  447    H    LEU  86           H        LEU  86  12.771  10.563  -4.846
  448    HA   LEU  86           HA       LEU  86  10.934  10.251  -2.724
  449   1HB   LEU  86          2HB       LEU  86  12.148  12.324  -3.062
  450   2HB   LEU  86          1HB       LEU  86  11.372  12.561  -4.615
  451    HG   LEU  86           HG       LEU  86   9.193  12.805  -3.465
  452   1HD1  LEU  86          1HD1      LEU  86  10.856  12.678  -0.953
  453   2HD1  LEU  86          3HD1      LEU  86   9.150  13.115  -1.039
  454   3HD1  LEU  86          2HD1      LEU  86   9.666  11.485  -1.473
  455   1HD2  LEU  86          1HD2      LEU  86  11.365  14.659  -2.497
  456   2HD2  LEU  86          3HD2      LEU  86  10.511  14.772  -4.036
  457   3HD2  LEU  86          2HD2      LEU  86   9.637  15.017  -2.523
  458    H    ASN  87           H        ASN  87  10.439  10.935  -6.182
  459    HA   ASN  87           HA       ASN  87   7.687  11.155  -6.214
  460   1HB   ASN  87          2HB       ASN  87   9.655  10.139  -8.243
  461   2HB   ASN  87          1HB       ASN  87   7.929  10.130  -8.586
  462   1HD2  ASN  87          1HD2      ASN  87  10.098  11.636  -9.837
  463   2HD2  ASN  87          2HD2      ASN  87   9.663  13.301  -9.694
  464    H    LYS  88           H        LYS  88   9.668   8.296  -5.972
  465    HA   LYS  88           HA       LYS  88   7.702   6.369  -6.585
  466   1HB   LYS  88          2HB       LYS  88  10.209   6.027  -6.430
  467   2HB   LYS  88          1HB       LYS  88  10.018   6.014  -4.684
  468   1HG   LYS  88          2HG       LYS  88  10.043   3.765  -5.251
  469   2HG   LYS  88          1HG       LYS  88   8.323   4.127  -5.085
  470   1HD   LYS  88          2HD       LYS  88   7.991   4.152  -7.407
  471   2HD   LYS  88          1HD       LYS  88   9.718   4.290  -7.739
  472   1HE   LYS  88          2HE       LYS  88   8.237   1.885  -6.689
  473   2HE   LYS  88          1HE       LYS  88   9.040   2.054  -8.248
  474   1HZ   LYS  88          1HZ       LYS  88  11.158   2.253  -7.075
  475   2HZ   LYS  88          3HZ       LYS  88  10.370   2.028  -5.594
  476   3HZ   LYS  88          2HZ       LYS  88  10.397   0.781  -6.736
  477    H    ALA  89           H        ALA  89   8.825   7.697  -3.483
  478    HA   ALA  89           HA       ALA  89   7.059   6.214  -1.859
  479   1HB   ALA  89          1HB       ALA  89   7.672   7.727  -0.084
  480   2HB   ALA  89          2HB       ALA  89   8.305   8.892  -1.248
  481   3HB   ALA  89          3HB       ALA  89   9.105   7.333  -1.035
  482    H    ILE  90           H        ILE  90   6.721   9.236  -3.594
  483    HA   ILE  90           HA       ILE  90   4.431  10.226  -2.301
  484    HB   ILE  90           HB       ILE  90   5.306  10.594  -5.170
  485   1HG1  ILE  90          2HG1      ILE  90   5.670  12.380  -2.752
  486   2HG1  ILE  90          1HG1      ILE  90   6.923  11.352  -3.439
  487   1HG2  ILE  90          2HG2      ILE  90   3.266  12.109  -3.544
  488   2HG2  ILE  90          1HG2      ILE  90   3.872  12.608  -5.123
  489   3HG2  ILE  90          3HG2      ILE  90   2.956  11.110  -4.965
  490   1HD1  ILE  90          3HD1      ILE  90   6.821  12.624  -5.520
  491   2HD1  ILE  90          2HD1      ILE  90   5.570  13.656  -4.824
  492   3HD1  ILE  90          1HD1      ILE  90   7.196  13.655  -4.139
  493    H    LYS  91           H        LYS  91   4.686   8.395  -5.353
  494    HA   LYS  91           HA       LYS  91   1.959   8.054  -5.801
  495   1HB   LYS  91          2HB       LYS  91   4.279   6.265  -6.543
  496   2HB   LYS  91          1HB       LYS  91   2.646   6.063  -7.163
  497   1HG   LYS  91          2HG       LYS  91   4.309   8.547  -7.531
  498   2HG   LYS  91          1HG       LYS  91   4.182   7.242  -8.711
  499   1HD   LYS  91          2HD       LYS  91   1.845   8.840  -7.665
  500   2HD   LYS  91          1HD       LYS  91   2.681   9.165  -9.185
  501   1HE   LYS  91          2HE       LYS  91   1.211   6.634  -8.452
  502   2HE   LYS  91          1HE       LYS  91   0.658   7.875  -9.577
  503   1HZ   LYS  91          2HZ       LYS  91   2.554   7.379 -10.994
  504   2HZ   LYS  91          1HZ       LYS  91   3.079   6.187  -9.916
  505   3HZ   LYS  91          3HZ       LYS  91   1.616   5.995 -10.744
  506    H    PHE  92           H        PHE  92   4.181   6.267  -3.768
  507    HA   PHE  92           HA       PHE  92   2.600   4.015  -3.237
  508   1HB   PHE  92          2HB       PHE  92   4.976   4.142  -2.661
  509   2HB   PHE  92          1HB       PHE  92   4.640   5.402  -1.483
  510    HD1  PHE  92           HD1      PHE  92   3.149   2.046  -2.199
  511    HD2  PHE  92           HD2      PHE  92   4.933   4.656   0.649
  512    HE1  PHE  92           HE1      PHE  92   2.870   0.329  -0.460
  513    HE2  PHE  92           HE2      PHE  92   4.655   2.944   2.396
  514    HZ   PHE  92           HZ       PHE  92   3.624   0.778   1.842
  515    H    LYS  93           H        LYS  93   3.064   6.892  -1.175
  516    HA   LYS  93           HA       LYS  93   1.036   6.282   0.655
  517   1HB   LYS  93          2HB       LYS  93   2.810   7.924   1.090
  518   2HB   LYS  93          1HB       LYS  93   2.122   8.994  -0.123
  519   1HG   LYS  93          2HG       LYS  93   1.484   9.770   2.046
  520   2HG   LYS  93          1HG       LYS  93   0.054   9.128   1.235
  521   1HD   LYS  93          2HD       LYS  93   0.264   7.048   2.487
  522   2HD   LYS  93          1HD       LYS  93   1.723   7.655   3.273
  523   1HE   LYS  93          2HE       LYS  93  -0.197   7.888   4.745
  524   2HE   LYS  93          1HE       LYS  93   0.418   9.472   4.274
  525   1HZ   LYS  93          1HZ       LYS  93  -1.343   9.595   2.602
  526   2HZ   LYS  93          3HZ       LYS  93  -1.949   8.102   3.117
  527   3HZ   LYS  93          2HZ       LYS  93  -1.977   9.431   4.161
  528    H    ILE  94           H        ILE  94   0.909   7.748  -2.496
  529    HA   ILE  94           HA       ILE  94  -1.628   8.984  -2.257
  530    HB   ILE  94           HB       ILE  94   0.012   8.098  -4.610
  531   1HG1  ILE  94          2HG1      ILE  94  -1.013  10.820  -3.778
  532   2HG1  ILE  94          1HG1      ILE  94   0.567  10.183  -3.337
  533   1HG2  ILE  94          3HG2      ILE  94  -2.763   9.276  -4.718
  534   2HG2  ILE  94          2HG2      ILE  94  -1.682   9.086  -6.100
  535   3HG2  ILE  94          1HG2      ILE  94  -2.286   7.662  -5.249
  536   1HD1  ILE  94          1HD1      ILE  94  -0.400  10.690  -6.142
  537   2HD1  ILE  94          3HD1      ILE  94   0.706  11.712  -5.222
  538   3HD1  ILE  94          2HD1      ILE  94   1.192  10.082  -5.685
  539    H    LEU  95           H        LEU  95  -0.785   6.047  -4.092
  540    HA   LEU  95           HA       LEU  95  -3.288   5.116  -4.650
  541   1HB   LEU  95          2HB       LEU  95  -0.912   3.434  -3.844
  542   2HB   LEU  95          1HB       LEU  95  -2.310   2.866  -4.737
  543    HG   LEU  95           HG       LEU  95  -0.485   5.030  -5.771
  544   1HD1  LEU  95          2HD1      LEU  95  -0.388   2.068  -6.313
  545   2HD1  LEU  95          1HD1      LEU  95   0.544   3.300  -7.163
  546   3HD1  LEU  95          3HD1      LEU  95   0.824   3.012  -5.446
  547   1HD2  LEU  95          2HD2      LEU  95  -2.716   4.962  -6.755
  548   2HD2  LEU  95          1HD2      LEU  95  -1.494   4.452  -7.920
  549   3HD2  LEU  95          3HD2      LEU  95  -2.510   3.251  -7.125
  550    H    ILE  96           H        ILE  96  -1.532   4.880  -1.622
  551    HA   ILE  96           HA       ILE  96  -3.405   3.123  -0.379
  552    HB   ILE  96           HB       ILE  96  -1.351   4.925   0.902
  553   1HG1  ILE  96          2HG1      ILE  96  -1.116   1.968   0.350
  554   2HG1  ILE  96          1HG1      ILE  96  -0.541   3.188  -0.782
  555   1HG2  ILE  96          2HG2      ILE  96  -2.842   2.546   2.002
  556   2HG2  ILE  96          1HG2      ILE  96  -1.530   3.395   2.818
  557   3HG2  ILE  96          3HG2      ILE  96  -3.048   4.228   2.487
  558   1HD1  ILE  96          3HD1      ILE  96   0.396   2.853   2.056
  559   2HD1  ILE  96          2HD1      ILE  96   1.255   2.328   0.609
  560   3HD1  ILE  96          1HD1      ILE  96   0.987   4.046   0.900
  561    H    ASN  97           H        ASN  97  -2.907   6.614  -0.421
  562    HA   ASN  97           HA       ASN  97  -4.751   7.313   1.569
  563   1HB   ASN  97          2HB       ASN  97  -3.097   8.881   0.598
  564   2HB   ASN  97          1HB       ASN  97  -4.011   8.892  -0.907
  565   1HD2  ASN  97          1HD2      ASN  97  -3.896   9.950   2.388
  566   2HD2  ASN  97          2HD2      ASN  97  -5.195  11.085   2.287
  567    H    LYS  98           H        LYS  98  -5.171   7.157  -1.965
  568    HA   LYS  98           HA       LYS  98  -7.920   7.750  -1.970
  569   1HB   LYS  98          2HB       LYS  98  -6.358   6.121  -3.983
  570   2HB   LYS  98          1HB       LYS  98  -7.920   6.879  -4.256
  571   1HG   LYS  98          2HG       LYS  98  -5.372   8.360  -3.634
  572   2HG   LYS  98          1HG       LYS  98  -6.053   8.137  -5.246
  573   1HD   LYS  98          2HD       LYS  98  -8.087   9.322  -4.532
  574   2HD   LYS  98          1HD       LYS  98  -7.368   9.572  -2.940
  575   1HE   LYS  98          2HE       LYS  98  -5.571  10.875  -3.937
  576   2HE   LYS  98          1HE       LYS  98  -6.237  10.590  -5.544
  577   1HZ   LYS  98          2HZ       LYS  98  -7.600  12.058  -3.352
  578   2HZ   LYS  98          1HZ       LYS  98  -6.852  12.768  -4.693
  579   3HZ   LYS  98          3HZ       LYS  98  -8.223  11.798  -4.902
  580    H    MET  99           H        MET  99  -6.153   4.754  -1.555
  581    HA   MET  99           HA       MET  99  -8.264   2.943  -1.947
  582   1HB   MET  99          2HB       MET  99  -5.804   2.401  -1.769
  583   2HB   MET  99          1HB       MET  99  -5.957   2.595  -0.029
  584   1HG   MET  99          2HG       MET  99  -7.656   0.665  -1.571
  585   2HG   MET  99          1HG       MET  99  -6.057   0.237  -0.965
  586   1HE   MET  99          1HE       MET  99  -8.717  -1.365  -0.230
  587   2HE   MET  99          3HE       MET  99  -7.121  -1.799   0.382
  588   3HE   MET  99          2HE       MET  99  -8.477  -1.628   1.497
  589    H    ARG 100           H        ARG 100  -7.143   4.639   0.952
  590    HA   ARG 100           HA       ARG 100  -9.054   3.398   2.685
  591   1HB   ARG 100          2HB       ARG 100  -6.923   4.281   3.530
  592   2HB   ARG 100          1HB       ARG 100  -7.407   5.907   3.066
  593   1HG   ARG 100          2HG       ARG 100  -9.319   5.723   4.647
  594   2HG   ARG 100          1HG       ARG 100  -8.661   4.175   5.181
  595   1HD   ARG 100          2HD       ARG 100  -7.983   5.956   6.689
  596   2HD   ARG 100          1HD       ARG 100  -6.585   5.293   5.845
  597    HE   ARG 100           HE       ARG 100  -7.199   7.372   4.290
  598   1HH1  ARG 100          1HH1      ARG 100  -6.899   7.116   7.753
  599   2HH1  ARG 100          2HH1      ARG 100  -6.391   8.759   7.957
  600   1HH2  ARG 100          1HH2      ARG 100  -6.531   9.536   4.553
  601   2HH2  ARG 100          2HH2      ARG 100  -6.183  10.134   6.140
  602    H    ASP 101           H        ASP 101  -8.834   6.501   1.007
  603    HA   ASP 101           HA       ASP 101 -11.248   7.553   2.095
  604   1HB   ASP 101          2HB       ASP 101  -9.524   8.348  -0.246
  605   2HB   ASP 101          1HB       ASP 101 -11.014   9.198   0.151
  606    H    SER 102           H        SER 102 -10.665   5.158  -0.172
  607    HA   SER 102           HA       SER 102 -12.475   5.474  -2.198
  608   1HB   SER 102          2HB       SER 102 -10.989   3.533  -2.033
  609   2HB   SER 102          1HB       SER 102 -11.916   2.927  -0.660
  610    HG   SER 102           HG       SER 102 -12.788   3.225  -3.341
  611    H    LYS 103           H        LYS 103 -14.464   6.269  -1.983
  612    HA   LYS 103           HA       LYS 103 -16.111   6.041   0.262
  613   1HB   LYS 103          2HB       LYS 103 -16.945   6.513  -2.604
  614   2HB   LYS 103          1HB       LYS 103 -17.897   6.889  -1.175
  615   1HG   LYS 103          2HG       LYS 103 -16.213   8.519  -0.480
  616   2HG   LYS 103          1HG       LYS 103 -15.260   8.142  -1.916
  617   1HD   LYS 103          2HD       LYS 103 -18.076   9.224  -1.948
  618   2HD   LYS 103          1HD       LYS 103 -16.620  10.198  -2.160
  619   1HE   LYS 103          2HE       LYS 103 -17.498   7.921  -3.934
  620   2HE   LYS 103          1HE       LYS 103 -17.657   9.636  -4.306
  621   1HZ   LYS 103          3HZ       LYS 103 -15.082   8.226  -3.850
  622   2HZ   LYS 103          2HZ       LYS 103 -15.714   8.625  -5.367
  623   3HZ   LYS 103          1HZ       LYS 103 -15.268   9.849  -4.289
  624    H    LEU 104           H        LEU 104 -17.433   4.515   0.988
  625    HA   LEU 104           HA       LEU 104 -18.193   2.320  -0.820
  626   1HB   LEU 104          2HB       LEU 104 -17.323   2.116   2.063
  627   2HB   LEU 104          1HB       LEU 104 -18.035   0.798   1.153
  628    HG   LEU 104           HG       LEU 104 -15.437   2.159   0.438
  629   1HD1  LEU 104          1HD1      LEU 104 -15.940  -0.481   1.802
  630   2HD1  LEU 104          3HD1      LEU 104 -14.372   0.108   1.251
  631   3HD1  LEU 104          2HD1      LEU 104 -15.230   0.955   2.539
  632   1HD2  LEU 104          2HD2      LEU 104 -16.748  -0.340  -0.628
  633   2HD2  LEU 104          1HD2      LEU 104 -16.587   1.194  -1.483
  634   3HD2  LEU 104          3HD2      LEU 104 -15.149   0.256  -1.076
  635    H    GLU 105           H        GLU 105 -18.927   3.210   2.551
  636    HA   GLU 105           HA       GLU 105 -21.592   4.031   1.968
  637   1HB   GLU 105          2HB       GLU 105 -21.799   1.563   1.708
  638   2HB   GLU 105          1HB       GLU 105 -21.276   1.375   3.375
  639   1HG   GLU 105          2HG       GLU 105 -23.237   2.675   4.107
  640   2HG   GLU 105          1HG       GLU 105 -23.775   2.759   2.429
  641    H    TRP 106           H        TRP 106 -20.515   5.759   3.185
  642    HA   TRP 106           HA       TRP 106 -20.879   5.359   6.070
  643   1HB   TRP 106          2HB       TRP 106 -18.600   6.931   4.853
  644   2HB   TRP 106          1HB       TRP 106 -18.887   6.653   6.568
  645    HD1  TRP 106           HD1      TRP 106 -19.143   3.679   6.923
  646    HE1  TRP 106           HE1      TRP 106 -17.290   2.017   6.270
  647    HE3  TRP 106           HE3      TRP 106 -16.607   6.574   3.558
  648    HZ2  TRP 106           HZ2      TRP 106 -15.049   1.944   4.555
  649    HZ3  TRP 106           HZ3      TRP 106 -14.620   5.633   2.457
  650    HH2  TRP 106           HH2      TRP 106 -13.857   3.366   2.945
  651    H    LYS 107           H        LYS 107 -22.170   6.744   3.592
  652    HA   LYS 107           HA       LYS 107 -22.705   9.286   4.976
  653   1HB   LYS 107          2HB       LYS 107 -22.453   8.822   2.000
  654   2HB   LYS 107          1HB       LYS 107 -23.035  10.313   2.726
  655   1HG   LYS 107          2HG       LYS 107 -20.894  10.656   3.808
  656   2HG   LYS 107          1HG       LYS 107 -20.303   9.123   3.165
  657   1HD   LYS 107          2HD       LYS 107 -20.549   9.975   0.891
  658   2HD   LYS 107          1HD       LYS 107 -21.173  11.502   1.521
  659   1HE   LYS 107          2HE       LYS 107 -19.057  11.919   2.648
  660   2HE   LYS 107          1HE       LYS 107 -18.432  10.371   2.079
  661   1HZ   LYS 107          3HZ       LYS 107 -19.249  12.635   0.339
  662   2HZ   LYS 107          2HZ       LYS 107 -17.655  12.220   0.720
  663   3HZ   LYS 107          1HZ       LYS 107 -18.610  11.160  -0.188
  664    H    ASP 108           H        ASP 108 -24.705   9.233   5.732
  665    HA   ASP 108           HA       ASP 108 -26.763   7.756   4.251
  666   1HB   ASP 108          2HB       ASP 108 -26.717   8.748   7.108
  667   2HB   ASP 108          1HB       ASP 108 -28.071   7.903   6.364

  No H/Q in entry =         667
  Start of MODEL   17
    1    H1   GLY  24          2H        GLY  24 -19.254 -17.313  -6.885
    2    H2   GLY  24          1H        GLY  24 -19.245 -17.578  -5.214
    3    H3   GLY  24          3H        GLY  24 -20.076 -18.641  -6.237
    4   1HA   GLY  24          2HA       GLY  24 -21.624 -17.182  -5.102
    5   2HA   GLY  24          1HA       GLY  24 -21.640 -16.915  -6.838
    6    H    SER  25           H        SER  25 -19.336 -15.405  -7.142
    7    HA   SER  25           HA       SER  25 -18.437 -13.324  -6.913
    8   1HB   SER  25          2HB       SER  25 -20.077 -11.486  -6.946
    9   2HB   SER  25          1HB       SER  25 -20.529 -12.775  -8.060
   10    HG   SER  25           HG       SER  25 -22.350 -12.251  -6.935
   11    H    HIS  26           H        HIS  26 -17.206 -13.526  -5.061
   12    HA   HIS  26           HA       HIS  26 -18.457 -12.549  -2.578
   13   1HB   HIS  26          2HB       HIS  26 -16.051 -14.360  -2.884
   14   2HB   HIS  26          1HB       HIS  26 -16.727 -13.801  -1.357
   15    HD1  HIS  26           HD1      HIS  26 -18.318 -15.370  -0.299
   16    HD2  HIS  26           HD2      HIS  26 -18.079 -15.949  -4.406
   17    HE1  HIS  26           HE1      HIS  26 -19.778 -17.360  -0.784
   18    HE2  HIS  26           HE2      HIS  26 -19.526 -17.759  -3.258
   19    H    MET  27           H        MET  27 -16.793 -11.535  -1.059
   20    HA   MET  27           HA       MET  27 -15.469  -9.412  -2.517
   21   1HB   MET  27          2HB       MET  27 -15.579  -9.831   0.473
   22   2HB   MET  27          1HB       MET  27 -15.207  -8.339  -0.380
   23   1HG   MET  27          2HG       MET  27 -17.490  -8.275  -1.255
   24   2HG   MET  27          1HG       MET  27 -17.860  -9.761  -0.382
   25   1HE   MET  27          2HE       MET  27 -15.795  -6.548   0.617
   26   2HE   MET  27          1HE       MET  27 -17.242  -5.926  -0.176
   27   3HE   MET  27          3HE       MET  27 -17.002  -5.666   1.553
   28    H    ASN  28           H        ASN  28 -14.635 -12.214  -0.604
   29    HA   ASN  28           HA       ASN  28 -12.679 -13.266  -0.145
   30   1HB   ASN  28          2HB       ASN  28 -12.610 -13.442  -2.588
   31   2HB   ASN  28          1HB       ASN  28 -11.794 -11.886  -2.685
   32   1HD2  ASN  28          1HD2      ASN  28 -11.139 -14.237  -0.191
   33   2HD2  ASN  28          2HD2      ASN  28  -9.550 -14.651  -0.727
   34    H    ASN  29           H        ASN  29 -12.559 -11.770   1.722
   35    HA   ASN  29           HA       ASN  29 -11.413 -10.419   3.145
   36   1HB   ASN  29          2HB       ASN  29  -9.124 -11.232   1.344
   37   2HB   ASN  29          1HB       ASN  29  -8.933 -10.433   2.901
   38   1HD2  ASN  29          1HD2      ASN  29  -7.786 -12.145   3.768
   39   2HD2  ASN  29          2HD2      ASN  29  -8.536 -13.643   4.191
   40    H    GLU  30           H        GLU  30 -12.055  -8.355   3.034
   41    HA   GLU  30           HA       GLU  30 -10.810  -6.644   0.981
   42   1HB   GLU  30          2HB       GLU  30 -13.243  -6.867   0.663
   43   2HB   GLU  30          1HB       GLU  30 -13.506  -6.284   2.302
   44   1HG   GLU  30          2HG       GLU  30 -12.549  -4.136   1.724
   45   2HG   GLU  30          1HG       GLU  30 -12.191  -4.713   0.097
   46    H    ASP  31           H        ASP  31 -11.698  -7.017   4.344
   47    HA   ASP  31           HA       ASP  31 -11.040  -4.434   5.239
   48   1HB   ASP  31          2HB       ASP  31 -10.873  -7.047   6.758
   49   2HB   ASP  31          1HB       ASP  31 -10.903  -5.437   7.473
   50    H    PHE  32           H        PHE  32  -9.142  -3.483   4.960
   51    HA   PHE  32           HA       PHE  32  -6.709  -4.973   4.649
   52   1HB   PHE  32          2HB       PHE  32  -5.664  -2.696   4.508
   53   2HB   PHE  32          1HB       PHE  32  -6.961  -2.971   3.350
   54    HD1  PHE  32           HD1      PHE  32  -5.964  -1.173   6.382
   55    HD2  PHE  32           HD2      PHE  32  -9.035  -1.767   3.497
   56    HE1  PHE  32           HE1      PHE  32  -7.102   0.858   7.179
   57    HE2  PHE  32           HE2      PHE  32 -10.177   0.261   4.289
   58    HZ   PHE  32           HZ       PHE  32  -9.212   1.578   6.132
   59    H    SER  33           H        SER  33  -8.447  -3.953   7.312
   60    HA   SER  33           HA       SER  33  -6.271  -3.239   9.031
   61   1HB   SER  33          2HB       SER  33  -9.108  -4.043   9.712
   62   2HB   SER  33          1HB       SER  33  -7.954  -3.313  10.827
   63    HG   SER  33           HG       SER  33  -7.906  -1.490   9.410
   64    H    GLN  34           H        GLN  34  -7.501  -6.191   7.884
   65    HA   GLN  34           HA       GLN  34  -6.199  -7.647  10.089
   66   1HB   GLN  34          2HB       GLN  34  -8.337  -8.650   8.204
   67   2HB   GLN  34          1HB       GLN  34  -7.617  -9.558   9.527
   68   1HG   GLN  34          2HG       GLN  34  -8.499  -7.784  11.076
   69   2HG   GLN  34          1HG       GLN  34  -9.402  -7.149   9.702
   70   1HE2  GLN  34          1HE2      GLN  34  -9.814  -9.846   8.600
   71   2HE2  GLN  34          2HE2      GLN  34 -11.047 -10.565   9.574
   72    H    TRP  35           H        TRP  35  -5.338  -6.520   7.291
   73    HA   TRP  35           HA       TRP  35  -4.476  -8.854   5.867
   74   1HB   TRP  35          2HB       TRP  35  -4.013  -5.906   5.582
   75   2HB   TRP  35          1HB       TRP  35  -3.010  -7.036   4.681
   76    HD1  TRP  35           HD1      TRP  35  -6.290  -8.607   4.812
   77    HE1  TRP  35           HE1      TRP  35  -7.643  -8.131   2.675
   78    HE3  TRP  35           HE3      TRP  35  -3.489  -4.775   2.917
   79    HZ2  TRP  35           HZ2      TRP  35  -7.535  -6.363   0.474
   80    HZ3  TRP  35           HZ3      TRP  35  -4.179  -3.744   0.793
   81    HH2  TRP  35           HH2      TRP  35  -6.162  -4.525  -0.403
   82    H    SER  36           H        SER  36  -2.154  -9.194   5.322
   83    HA   SER  36           HA       SER  36  -0.422  -8.683   7.650
   84   1HB   SER  36          2HB       SER  36  -0.569 -11.206   5.981
   85   2HB   SER  36          1HB       SER  36   0.598 -10.908   7.269
   86    HG   SER  36           HG       SER  36  -1.443 -12.119   7.766
   87    H    VAL  37           H        VAL  37   1.966  -9.415   6.891
   88    HA   VAL  37           HA       VAL  37   2.885  -7.422   5.195
   89    HB   VAL  37           HB       VAL  37   4.214 -10.056   5.854
   90   1HG1  VAL  37          1HG1      VAL  37   5.381  -7.520   4.714
   91   2HG1  VAL  37          3HG1      VAL  37   6.315  -8.904   5.281
   92   3HG1  VAL  37          2HG1      VAL  37   5.242  -9.074   3.893
   93   1HG2  VAL  37          1HG2      VAL  37   4.454  -7.332   7.124
   94   2HG2  VAL  37          3HG2      VAL  37   3.679  -8.750   7.831
   95   3HG2  VAL  37          2HG2      VAL  37   5.420  -8.747   7.544
   96    H    ASP  38           H        ASP  38   2.451 -10.882   4.457
   97    HA   ASP  38           HA       ASP  38   3.274 -10.793   1.794
   98   1HB   ASP  38          2HB       ASP  38   2.912 -12.868   3.119
   99   2HB   ASP  38          1HB       ASP  38   1.175 -12.615   2.985
  100    H    ASP  39           H        ASP  39   0.168 -10.026   3.241
  101    HA   ASP  39           HA       ASP  39  -1.287  -9.942   0.792
  102   1HB   ASP  39          2HB       ASP  39  -1.884  -8.752   3.505
  103   2HB   ASP  39          1HB       ASP  39  -3.017  -8.768   2.156
  104    H    VAL  40           H        VAL  40   0.123  -7.416   2.867
  105    HA   VAL  40           HA       VAL  40  -0.706  -5.224   1.324
  106    HB   VAL  40           HB       VAL  40   1.742  -5.427   3.084
  107   1HG1  VAL  40          2HG1      VAL  40   0.223  -3.016   2.095
  108   2HG1  VAL  40          1HG1      VAL  40   1.544  -2.987   3.262
  109   3HG1  VAL  40          3HG1      VAL  40   1.844  -3.502   1.602
  110   1HG2  VAL  40          1HG2      VAL  40  -1.093  -4.607   3.706
  111   2HG2  VAL  40          3HG2      VAL  40  -0.226  -6.004   4.342
  112   3HG2  VAL  40          2HG2      VAL  40   0.276  -4.376   4.793
  113    H    ILE  41           H        ILE  41   2.286  -7.129   1.220
  114    HA   ILE  41           HA       ILE  41   3.667  -5.571  -0.653
  115    HB   ILE  41           HB       ILE  41   3.846  -8.539  -0.132
  116   1HG1  ILE  41          2HG1      ILE  41   5.630  -6.279   0.794
  117   2HG1  ILE  41          1HG1      ILE  41   4.357  -6.997   1.776
  118   1HG2  ILE  41          2HG2      ILE  41   5.727  -6.742  -1.659
  119   2HG2  ILE  41          1HG2      ILE  41   6.046  -8.420  -1.224
  120   3HG2  ILE  41          3HG2      ILE  41   4.734  -8.032  -2.336
  121   1HD1  ILE  41          1HD1      ILE  41   5.509  -9.166   1.623
  122   2HD1  ILE  41          3HD1      ILE  41   6.810  -8.382   0.724
  123   3HD1  ILE  41          2HD1      ILE  41   6.487  -7.917   2.394
  124    H    THR  42           H        THR  42   1.812  -8.568  -1.211
  125    HA   THR  42           HA       THR  42   2.044  -8.717  -3.951
  126    HB   THR  42           HB       THR  42  -0.416  -9.445  -2.349
  127    HG1  THR  42           HG1      THR  42   0.719 -11.086  -1.646
  128   1HG2  THR  42          1HG2      THR  42   0.592 -10.446  -5.016
  129   2HG2  THR  42          3HG2      THR  42  -0.787 -11.100  -4.134
  130   3HG2  THR  42          2HG2      THR  42  -0.838  -9.449  -4.750
  131    H    TRP  43           H        TRP  43  -0.814  -7.345  -2.285
  132    HA   TRP  43           HA       TRP  43  -2.047  -6.296  -4.530
  133   1HB   TRP  43          2HB       TRP  43  -3.271  -6.384  -2.481
  134   2HB   TRP  43          1HB       TRP  43  -2.100  -5.354  -1.662
  135    HD1  TRP  43           HD1      TRP  43  -4.882  -5.147  -4.325
  136    HE1  TRP  43           HE1      TRP  43  -5.715  -2.715  -4.432
  137    HE3  TRP  43           HE3      TRP  43  -1.507  -2.994  -1.148
  138    HZ2  TRP  43           HZ2      TRP  43  -5.030  -0.213  -3.320
  139    HZ3  TRP  43           HZ3      TRP  43  -1.663  -0.575  -0.725
  140    HH2  TRP  43           HH2      TRP  43  -3.388   0.786  -1.789
  141    H    CYS  44           H        CYS  44   0.341  -4.752  -2.409
  142    HA   CYS  44           HA       CYS  44   0.304  -2.196  -3.469
  143   1HB   CYS  44          2HB       CYS  44   1.593  -2.869  -1.460
  144   2HB   CYS  44          1HB       CYS  44   2.744  -3.698  -2.502
  145    HG   CYS  44           HG       CYS  44   2.292  -0.495  -3.329
  146    H    ILE  45           H        ILE  45   2.779  -4.620  -4.280
  147    HA   ILE  45           HA       ILE  45   3.866  -3.355  -6.476
  148    HB   ILE  45           HB       ILE  45   3.583  -6.335  -6.061
  149   1HG1  ILE  45          2HG1      ILE  45   5.896  -4.537  -5.321
  150   2HG1  ILE  45          1HG1      ILE  45   4.636  -5.006  -4.184
  151   1HG2  ILE  45          1HG2      ILE  45   5.498  -4.749  -7.768
  152   2HG2  ILE  45          3HG2      ILE  45   5.608  -6.482  -7.462
  153   3HG2  ILE  45          2HG2      ILE  45   4.225  -5.827  -8.336
  154   1HD1  ILE  45          1HD1      ILE  45   6.446  -6.919  -5.639
  155   2HD1  ILE  45          3HD1      ILE  45   6.662  -6.369  -3.977
  156   3HD1  ILE  45          2HD1      ILE  45   5.247  -7.329  -4.411
  157    H    SER  46           H        SER  46   0.914  -5.225  -6.291
  158    HA   SER  46           HA       SER  46   0.568  -5.863  -8.985
  159   1HB   SER  46          2HB       SER  46  -1.514  -5.250  -6.879
  160   2HB   SER  46          1HB       SER  46  -1.862  -5.977  -8.447
  161    HG   SER  46           HG       SER  46   0.103  -7.364  -7.355
  162    H    THR  47           H        THR  47   0.607  -2.788  -7.555
  163    HA   THR  47           HA       THR  47  -0.106  -1.554 -10.058
  164    HB   THR  47           HB       THR  47  -2.337  -1.832  -9.178
  165    HG1  THR  47           HG1      THR  47  -2.781   0.550  -8.833
  166   1HG2  THR  47          1HG2      THR  47  -1.335  -0.386  -6.723
  167   2HG2  THR  47          3HG2      THR  47  -3.017  -0.811  -7.044
  168   3HG2  THR  47          2HG2      THR  47  -1.815  -2.081  -6.811
  169    H    LEU  48           H        LEU  48   1.830  -1.640  -7.487
  170    HA   LEU  48           HA       LEU  48   1.987   1.094  -6.702
  171   1HB   LEU  48          2HB       LEU  48   2.810  -0.939  -5.416
  172   2HB   LEU  48          1HB       LEU  48   4.185  -0.957  -6.498
  173    HG   LEU  48           HG       LEU  48   4.644   0.095  -4.294
  174   1HD1  LEU  48          3HD1      LEU  48   5.966   0.657  -6.294
  175   2HD1  LEU  48          2HD1      LEU  48   4.881   2.011  -6.605
  176   3HD1  LEU  48          1HD1      LEU  48   5.865   1.989  -5.143
  177   1HD2  LEU  48          1HD2      LEU  48   2.453   1.126  -3.943
  178   2HD2  LEU  48          3HD2      LEU  48   3.763   2.299  -3.798
  179   3HD2  LEU  48          2HD2      LEU  48   2.777   2.254  -5.260
  180    H    GLU  49           H        GLU  49   4.478  -0.813  -8.412
  181    HA   GLU  49           HA       GLU  49   4.848   1.418 -10.267
  182   1HB   GLU  49          2HB       GLU  49   6.425   1.793  -8.410
  183   2HB   GLU  49          1HB       GLU  49   7.108   0.194  -8.674
  184   1HG   GLU  49          2HG       GLU  49   8.533   1.861  -9.656
  185   2HG   GLU  49          1HG       GLU  49   7.801   0.883 -10.927
  186    H    VAL  50           H        VAL  50   6.502  -1.619  -9.425
  187    HA   VAL  50           HA       VAL  50   6.318  -2.408 -12.259
  188    HB   VAL  50           HB       VAL  50   8.321  -3.766 -11.902
  189   1HG1  VAL  50          2HG1      VAL  50   8.575  -1.441 -12.634
  190   2HG1  VAL  50          1HG1      VAL  50   8.695  -0.926 -10.950
  191   3HG1  VAL  50          3HG1      VAL  50   9.940  -1.963 -11.648
  192   1HG2  VAL  50          2HG2      VAL  50   8.281  -2.639  -9.104
  193   2HG2  VAL  50          1HG2      VAL  50   8.007  -4.320  -9.557
  194   3HG2  VAL  50          3HG2      VAL  50   9.591  -3.588  -9.806
  195    H    GLU  51           H        GLU  51   7.082  -5.063 -11.957
  196    HA   GLU  51           HA       GLU  51   4.675  -6.190 -10.718
  197   1HB   GLU  51          2HB       GLU  51   5.206  -8.203 -12.072
  198   2HB   GLU  51          1HB       GLU  51   4.972  -6.761 -13.050
  199   1HG   GLU  51          2HG       GLU  51   7.314  -6.524 -13.397
  200   2HG   GLU  51          1HG       GLU  51   7.671  -7.789 -12.222
  201    H    GLU  52           H        GLU  52   5.384  -8.769 -10.234
  202    HA   GLU  52           HA       GLU  52   7.002  -8.473  -7.868
  203   1HB   GLU  52          2HB       GLU  52   5.697 -10.926  -9.064
  204   2HB   GLU  52          1HB       GLU  52   6.458 -10.854  -7.480
  205   1HG   GLU  52          2HG       GLU  52   4.815  -9.193  -6.765
  206   2HG   GLU  52          1HG       GLU  52   4.051  -9.271  -8.352
  207    H    THR  53           H        THR  53   8.910  -7.832  -9.148
  208    HA   THR  53           HA       THR  53  10.583 -10.159  -9.646
  209    HB   THR  53           HB       THR  53   9.877  -9.591 -11.871
  210    HG1  THR  53           HG1      THR  53  12.041 -10.145 -11.798
  211   1HG2  THR  53          1HG2      THR  53   9.215  -7.278 -11.317
  212   2HG2  THR  53          3HG2      THR  53  10.917  -6.828 -11.313
  213   3HG2  THR  53          2HG2      THR  53  10.159  -7.395 -12.802
  214    H    ASP  54           H        ASP  54  10.293  -6.712  -9.173
  215    HA   ASP  54           HA       ASP  54  13.067  -6.266  -8.632
  216   1HB   ASP  54          2HB       ASP  54  11.623  -4.503  -9.553
  217   2HB   ASP  54          1HB       ASP  54  10.638  -4.540  -8.095
  218    HA   PRO  55           HA       PRO  55  13.303  -7.486  -4.378
  219   1HB   PRO  55          2HB       PRO  55  14.980  -5.066  -3.991
  220   2HB   PRO  55          1HB       PRO  55  15.346  -6.760  -3.644
  221   1HG   PRO  55          2HG       PRO  55  16.445  -5.537  -5.737
  222   2HG   PRO  55          1HG       PRO  55  15.910  -7.225  -5.846
  223   1HD   PRO  55          2HD       PRO  55  14.589  -4.747  -6.879
  224   2HD   PRO  55          1HD       PRO  55  14.726  -6.349  -7.633
  225    H    LEU  56           H        LEU  56  11.755  -4.728  -5.412
  226    HA   LEU  56           HA       LEU  56  11.366  -3.112  -3.231
  227   1HB   LEU  56          2HB       LEU  56  10.441  -2.594  -5.403
  228   2HB   LEU  56          1HB       LEU  56   9.361  -3.970  -5.315
  229    HG   LEU  56           HG       LEU  56   8.211  -2.883  -3.387
  230   1HD1  LEU  56          3HD1      LEU  56   9.978  -0.548  -4.113
  231   2HD1  LEU  56          2HD1      LEU  56   8.599  -0.485  -3.014
  232   3HD1  LEU  56          1HD1      LEU  56  10.010  -1.461  -2.603
  233   1HD2  LEU  56          3HD2      LEU  56   7.323  -2.710  -5.651
  234   2HD2  LEU  56          2HD2      LEU  56   7.022  -1.231  -4.738
  235   3HD2  LEU  56          1HD2      LEU  56   8.312  -1.278  -5.939
  236    H    CYS  57           H        CYS  57  10.097  -6.317  -3.781
  237    HA   CYS  57           HA       CYS  57   8.111  -6.220  -1.731
  238   1HB   CYS  57          2HB       CYS  57   7.966  -8.652  -2.045
  239   2HB   CYS  57          1HB       CYS  57   7.942  -7.808  -3.590
  240    HG   CYS  57           HG       CYS  57  10.361  -9.800  -2.289
  241    H    GLN  58           H        GLN  58  11.468  -7.257  -1.915
  242    HA   GLN  58           HA       GLN  58  11.669  -8.549   0.554
  243   1HB   GLN  58          2HB       GLN  58  13.412  -8.668  -1.162
  244   2HB   GLN  58          1HB       GLN  58  13.769  -6.962  -0.936
  245   1HG   GLN  58          2HG       GLN  58  14.544  -7.379   1.310
  246   2HG   GLN  58          1HG       GLN  58  14.086  -9.076   1.182
  247   1HE2  GLN  58          1HE2      GLN  58  16.357  -6.634   0.218
  248   2HE2  GLN  58          2HE2      GLN  58  17.551  -7.705  -0.422
  249    H    ARG  59           H        ARG  59  12.177  -5.137  -0.293
  250    HA   ARG  59           HA       ARG  59  12.913  -4.290   2.295
  251   1HB   ARG  59          2HB       ARG  59  11.706  -2.764  -0.018
  252   2HB   ARG  59          1HB       ARG  59  12.299  -2.006   1.452
  253   1HG   ARG  59          2HG       ARG  59  13.976  -3.676  -0.408
  254   2HG   ARG  59          1HG       ARG  59  13.905  -1.913  -0.420
  255   1HD   ARG  59          2HD       ARG  59  14.646  -1.949   1.968
  256   2HD   ARG  59          1HD       ARG  59  14.881  -3.690   1.812
  257    HE   ARG  59           HE       ARG  59  16.287  -2.315  -0.223
  258   1HH1  ARG  59          1HH1      ARG  59  16.390  -3.018   3.188
  259   2HH1  ARG  59          2HH1      ARG  59  18.114  -2.879   3.295
  260   1HH2  ARG  59          1HH2      ARG  59  18.555  -2.128  -0.090
  261   2HH2  ARG  59          2HH2      ARG  59  19.343  -2.371   1.433
  262    H    LEU  60           H        LEU  60   9.788  -4.335   0.611
  263    HA   LEU  60           HA       LEU  60   8.263  -3.097   2.602
  264   1HB   LEU  60          2HB       LEU  60   7.715  -4.843   0.280
  265   2HB   LEU  60          1HB       LEU  60   6.467  -4.795   1.511
  266    HG   LEU  60           HG       LEU  60   7.582  -2.316   0.206
  267   1HD1  LEU  60          3HD1      LEU  60   5.160  -3.944  -0.537
  268   2HD1  LEU  60          2HD1      LEU  60   5.493  -2.315  -1.123
  269   3HD1  LEU  60          1HD1      LEU  60   6.583  -3.640  -1.533
  270   1HD2  LEU  60          3HD2      LEU  60   6.500  -2.020   2.392
  271   2HD2  LEU  60          2HD2      LEU  60   5.580  -1.267   1.089
  272   3HD2  LEU  60          1HD2      LEU  60   5.050  -2.807   1.769
  273    H    ARG  61           H        ARG  61   9.281  -6.437   2.206
  274    HA   ARG  61           HA       ARG  61   7.658  -7.459   4.323
  275   1HB   ARG  61          2HB       ARG  61   8.575  -8.808   2.406
  276   2HB   ARG  61          1HB       ARG  61  10.158  -8.692   3.161
  277   1HG   ARG  61          2HG       ARG  61   9.301  -9.848   5.136
  278   2HG   ARG  61          1HG       ARG  61   7.716  -9.970   4.371
  279   1HD   ARG  61          2HD       ARG  61  10.292 -11.227   3.440
  280   2HD   ARG  61          1HD       ARG  61   8.880 -12.055   4.093
  281    HE   ARG  61           HE       ARG  61   8.242 -10.529   1.771
  282   1HH1  ARG  61          1HH1      ARG  61   9.633 -13.536   2.853
  283   2HH1  ARG  61          2HH1      ARG  61   9.269 -14.380   1.386
  284   1HH2  ARG  61          1HH2      ARG  61   7.761 -11.633  -0.164
  285   2HH2  ARG  61          2HH2      ARG  61   8.204 -13.298  -0.329
  286    H    GLU  62           H        GLU  62  10.858  -6.078   4.095
  287    HA   GLU  62           HA       GLU  62  11.890  -6.962   6.557
  288   1HB   GLU  62          2HB       GLU  62  13.215  -5.878   4.733
  289   2HB   GLU  62          1HB       GLU  62  12.478  -4.342   5.165
  290   1HG   GLU  62          2HG       GLU  62  13.475  -4.481   7.385
  291   2HG   GLU  62          1HG       GLU  62  14.204  -6.030   6.963
  292    H    ASN  63           H        ASN  63  10.008  -4.099   5.686
  293    HA   ASN  63           HA       ASN  63   9.783  -3.386   8.514
  294   1HB   ASN  63          2HB       ASN  63   8.951  -1.916   6.004
  295   2HB   ASN  63          1HB       ASN  63   8.640  -1.330   7.637
  296   1HD2  ASN  63          1HD2      ASN  63  10.189  -0.093   5.542
  297   2HD2  ASN  63          2HD2      ASN  63  11.792   0.100   6.155
  298    H    ASP  64           H        ASP  64   8.385  -4.935   9.285
  299    HA   ASP  64           HA       ASP  64   6.077  -5.900   8.123
  300   1HB   ASP  64          2HB       ASP  64   6.991  -6.860  10.163
  301   2HB   ASP  64          1HB       ASP  64   6.624  -5.385  11.054
  302    H    ILE  65           H        ILE  65   4.816  -4.409   7.069
  303    HA   ILE  65           HA       ILE  65   3.641  -2.251   8.689
  304    HB   ILE  65           HB       ILE  65   3.817  -2.536   5.687
  305   1HG1  ILE  65          2HG1      ILE  65   5.924  -1.860   6.735
  306   2HG1  ILE  65          1HG1      ILE  65   5.234  -0.531   5.817
  307   1HG2  ILE  65          1HG2      ILE  65   2.530  -0.365   7.334
  308   2HG2  ILE  65          3HG2      ILE  65   2.805  -0.292   5.592
  309   3HG2  ILE  65          2HG2      ILE  65   1.712  -1.502   6.263
  310   1HD1  ILE  65          1HD1      ILE  65   5.072  -0.865   8.803
  311   2HD1  ILE  65          3HD1      ILE  65   6.174   0.208   7.940
  312   3HD1  ILE  65          2HD1      ILE  65   4.434   0.489   7.868
  313    H    VAL  66           H        VAL  66   1.470  -2.068   8.935
  314    HA   VAL  66           HA       VAL  66  -0.185  -4.244   7.830
  315    HB   VAL  66           HB       VAL  66   0.141  -4.265  10.319
  316   1HG1  VAL  66          1HG1      VAL  66   0.207  -1.867  10.702
  317   2HG1  VAL  66          3HG1      VAL  66  -1.481  -1.729  10.207
  318   3HG1  VAL  66          2HG1      VAL  66  -1.061  -2.621  11.669
  319   1HG2  VAL  66          1HG2      VAL  66  -1.827  -5.281   9.185
  320   2HG2  VAL  66          3HG2      VAL  66  -2.139  -4.769  10.844
  321   3HG2  VAL  66          2HG2      VAL  66  -2.717  -3.789   9.499
  322    H    GLY  67           H        GLY  67  -2.566  -3.609   7.685
  323   1HA   GLY  67          1HA       GLY  67  -4.198  -2.262   6.787
  324   2HA   GLY  67          2HA       GLY  67  -2.887  -1.455   5.940
  325    H    ASP  68           H        ASP  68  -3.193  -1.602   9.429
  326    HA   ASP  68           HA       ASP  68  -4.382   0.999   9.682
  327   1HB   ASP  68          2HB       ASP  68  -4.728  -0.821  11.344
  328   2HB   ASP  68          1HB       ASP  68  -3.027  -0.700  11.788
  329    H    LEU  69           H        LEU  69  -1.326  -0.004   8.901
  330    HA   LEU  69           HA       LEU  69   0.020   2.215  10.255
  331   1HB   LEU  69          2HB       LEU  69   0.792  -0.429   9.446
  332   2HB   LEU  69          1HB       LEU  69   1.856   0.747   8.698
  333    HG   LEU  69           HG       LEU  69   2.438   1.658  10.883
  334   1HD1  LEU  69          2HD1      LEU  69   0.594  -0.459  11.984
  335   2HD1  LEU  69          1HD1      LEU  69   1.673   0.560  12.937
  336   3HD1  LEU  69          3HD1      LEU  69   0.336   1.285  12.044
  337   1HD2  LEU  69          3HD2      LEU  69   2.676  -1.344  10.731
  338   2HD2  LEU  69          2HD2      LEU  69   3.780  -0.167  10.017
  339   3HD2  LEU  69          1HD2      LEU  69   3.640  -0.295  11.770
  340    H    LEU  70           H        LEU  70  -1.312   1.390   7.236
  341    HA   LEU  70           HA       LEU  70   0.438   2.844   5.548
  342   1HB   LEU  70          2HB       LEU  70  -2.448   2.051   5.173
  343   2HB   LEU  70          1HB       LEU  70  -1.465   2.789   3.925
  344    HG   LEU  70           HG       LEU  70  -0.938   0.112   5.220
  345   1HD1  LEU  70          3HD1      LEU  70  -1.982   0.848   2.491
  346   2HD1  LEU  70          2HD1      LEU  70  -1.494  -0.773   2.983
  347   3HD1  LEU  70          1HD1      LEU  70  -2.863   0.014   3.771
  348   1HD2  LEU  70          1HD2      LEU  70   0.486   1.537   2.975
  349   2HD2  LEU  70          3HD2      LEU  70   1.137   1.187   4.577
  350   3HD2  LEU  70          2HD2      LEU  70   0.769  -0.133   3.466
  351    HA   PRO  71           HA       PRO  71  -2.461   6.555   6.071
  352   1HB   PRO  71          2HB       PRO  71  -4.684   6.454   7.531
  353   2HB   PRO  71          1HB       PRO  71  -4.622   5.713   5.927
  354   1HG   PRO  71          2HG       PRO  71  -4.500   4.430   8.615
  355   2HG   PRO  71          1HG       PRO  71  -5.264   3.851   7.126
  356   1HD   PRO  71          2HD       PRO  71  -2.749   3.081   8.107
  357   2HD   PRO  71          1HD       PRO  71  -3.372   2.786   6.474
  358    H    GLU  72           H        GLU  72  -1.248   4.822   8.659
  359    HA   GLU  72           HA       GLU  72  -1.605   6.957  10.618
  360   1HB   GLU  72          2HB       GLU  72  -1.919   4.599  11.309
  361   2HB   GLU  72          1HB       GLU  72  -0.236   4.277  10.911
  362   1HG   GLU  72          2HG       GLU  72  -0.444   4.563  13.277
  363   2HG   GLU  72          1HG       GLU  72   0.446   5.932  12.611
  364    H    LEU  73           H        LEU  73   0.765   5.713   8.435
  365    HA   LEU  73           HA       LEU  73   2.902   7.230   9.747
  366   1HB   LEU  73          2HB       LEU  73   3.011   5.258   7.465
  367   2HB   LEU  73          1HB       LEU  73   4.402   6.067   8.161
  368    HG   LEU  73           HG       LEU  73   2.590   4.171   9.659
  369   1HD1  LEU  73          2HD1      LEU  73   3.862   3.027   7.914
  370   2HD1  LEU  73          1HD1      LEU  73   5.353   3.732   8.536
  371   3HD1  LEU  73          3HD1      LEU  73   4.440   2.593   9.523
  372   1HD2  LEU  73          1HD2      LEU  73   3.643   5.840  11.095
  373   2HD2  LEU  73          3HD2      LEU  73   4.337   4.242  11.370
  374   3HD2  LEU  73          2HD2      LEU  73   5.222   5.436  10.421
  375    H    CYS  74           H        CYS  74   4.451   8.340   8.187
  376    HA   CYS  74           HA       CYS  74   2.873   9.872   6.227
  377   1HB   CYS  74          2HB       CYS  74   5.299  10.730   7.818
  378   2HB   CYS  74          1HB       CYS  74   4.465  11.720   6.625
  379    HG   CYS  74           HG       CYS  74   2.132  11.993   8.062
  380    H    LEU  75           H        LEU  75   4.972  11.181   4.963
  381    HA   LEU  75           HA       LEU  75   5.781   9.222   3.080
  382   1HB   LEU  75          2HB       LEU  75   6.509  12.114   3.469
  383   2HB   LEU  75          1HB       LEU  75   7.206  11.145   2.185
  384    HG   LEU  75           HG       LEU  75   4.249  11.651   2.534
  385   1HD1  LEU  75          2HD1      LEU  75   5.453  13.701   1.967
  386   2HD1  LEU  75          1HD1      LEU  75   6.207  12.882   0.599
  387   3HD1  LEU  75          3HD1      LEU  75   4.463  13.141   0.620
  388   1HD2  LEU  75          3HD2      LEU  75   5.820  10.374   0.297
  389   2HD2  LEU  75          2HD2      LEU  75   4.729   9.549   1.411
  390   3HD2  LEU  75          1HD2      LEU  75   4.092  10.728   0.265
  391    H    GLN  76           H        GLN  76   7.136  10.265   6.033
  392    HA   GLN  76           HA       GLN  76   9.872   9.975   5.571
  393   1HB   GLN  76          2HB       GLN  76   8.854  10.884   7.655
  394   2HB   GLN  76          1HB       GLN  76   8.380   9.252   8.099
  395   1HG   GLN  76          2HG       GLN  76  10.724   8.582   8.165
  396   2HG   GLN  76          1HG       GLN  76  11.204  10.216   7.709
  397   1HE2  GLN  76          1HE2      GLN  76   8.555   9.524   9.875
  398   2HE2  GLN  76          2HE2      GLN  76   9.307  10.135  11.305
  399    H    ASP  77           H        ASP  77   7.605   7.551   6.881
  400    HA   ASP  77           HA       ASP  77   9.432   5.409   6.797
  401   1HB   ASP  77          2HB       ASP  77   6.406   5.339   6.703
  402   2HB   ASP  77          1HB       ASP  77   7.449   3.967   7.062
  403    H    CYS  78           H        CYS  78   6.989   6.542   4.507
  404    HA   CYS  78           HA       CYS  78   7.044   4.505   2.643
  405   1HB   CYS  78          2HB       CYS  78   6.807   7.474   2.110
  406   2HB   CYS  78          1HB       CYS  78   6.333   6.195   0.997
  407    HG   CYS  78           HG       CYS  78   4.471   7.680   3.126
  408    H    GLN  79           H        GLN  79   9.248   7.257   2.964
  409    HA   GLN  79           HA       GLN  79  10.745   6.697   0.623
  410   1HB   GLN  79          2HB       GLN  79  10.693   8.888   1.892
  411   2HB   GLN  79          1HB       GLN  79  11.750   8.133   3.078
  412   1HG   GLN  79          2HG       GLN  79  13.406   7.727   1.300
  413   2HG   GLN  79          1HG       GLN  79  12.355   8.574   0.165
  414   1HE2  GLN  79          1HE2      GLN  79  12.119  10.797   0.327
  415   2HE2  GLN  79          2HE2      GLN  79  13.202  11.777   1.249
  416    H    ASP  80           H        ASP  80  11.102   5.800   4.021
  417    HA   ASP  80           HA       ASP  80  13.605   4.514   3.759
  418   1HB   ASP  80          2HB       ASP  80  12.710   5.210   5.936
  419   2HB   ASP  80          1HB       ASP  80  11.399   4.046   5.779
  420    H    LEU  81           H        LEU  81  10.382   3.599   2.982
  421    HA   LEU  81           HA       LEU  81  10.742   0.779   2.997
  422   1HB   LEU  81          2HB       LEU  81   8.670   2.688   2.199
  423   2HB   LEU  81          1HB       LEU  81   8.721   1.258   1.190
  424    HG   LEU  81           HG       LEU  81   7.113   0.943   2.962
  425   1HD1  LEU  81          2HD1      LEU  81   8.401  -1.006   2.237
  426   2HD1  LEU  81          1HD1      LEU  81   9.595  -0.681   3.494
  427   3HD1  LEU  81          3HD1      LEU  81   7.946  -1.118   3.938
  428   1HD2  LEU  81          2HD2      LEU  81   9.404   1.502   4.841
  429   2HD2  LEU  81          1HD2      LEU  81   7.974   2.504   4.594
  430   3HD2  LEU  81          3HD2      LEU  81   7.815   0.906   5.324
  431    H    CYS  82           H        CYS  82  11.586   3.291   0.809
  432    HA   CYS  82           HA       CYS  82  12.078   1.367  -1.354
  433   1HB   CYS  82          2HB       CYS  82  10.784   3.429  -1.889
  434   2HB   CYS  82          1HB       CYS  82  12.188   4.391  -1.439
  435    HG   CYS  82           HG       CYS  82  13.037   4.480  -3.855
  436    H    ASP  83           H        ASP  83  14.124   1.735  -2.611
  437    HA   ASP  83           HA       ASP  83  16.364   1.412  -0.958
  438   1HB   ASP  83          2HB       ASP  83  16.254   0.515  -3.237
  439   2HB   ASP  83          1HB       ASP  83  16.253   2.151  -3.890
  440    H    GLY  84           H        GLY  84  14.881   4.250  -2.283
  441   1HA   GLY  84          1HA       GLY  84  17.213   5.897  -1.612
  442   2HA   GLY  84          2HA       GLY  84  15.710   6.199  -0.753
  443    H    ASP  85           H        ASP  85  13.786   6.127  -2.561
  444    HA   ASP  85           HA       ASP  85  14.499   8.318  -4.376
  445   1HB   ASP  85          2HB       ASP  85  14.497   6.255  -5.714
  446   2HB   ASP  85          1HB       ASP  85  12.860   5.900  -5.171
  447    H    LEU  86           H        LEU  86  13.298   9.987  -3.820
  448    HA   LEU  86           HA       LEU  86  11.066   9.910  -2.153
  449   1HB   LEU  86          2HB       LEU  86  12.398  11.911  -2.428
  450   2HB   LEU  86          1HB       LEU  86  11.946  12.023  -4.118
  451    HG   LEU  86           HG       LEU  86   9.580  12.390  -3.404
  452   1HD1  LEU  86          3HD1      LEU  86   9.707  11.340  -1.208
  453   2HD1  LEU  86          2HD1      LEU  86  10.811  12.602  -0.660
  454   3HD1  LEU  86          1HD1      LEU  86   9.148  13.008  -1.083
  455   1HD2  LEU  86          2HD2      LEU  86  11.022  14.260  -4.005
  456   2HD2  LEU  86          1HD2      LEU  86   9.921  14.707  -2.703
  457   3HD2  LEU  86          3HD2      LEU  86  11.612  14.353  -2.345
  458    H    ASN  87           H        ASN  87  11.233  10.229  -5.689
  459    HA   ASN  87           HA       ASN  87   8.576  10.591  -6.285
  460   1HB   ASN  87          2HB       ASN  87  10.612   8.948  -7.801
  461   2HB   ASN  87          1HB       ASN  87   9.065   9.472  -8.456
  462   1HD2  ASN  87          1HD2      ASN  87  11.784  10.073  -9.328
  463   2HD2  ASN  87          2HD2      ASN  87  11.920  11.794  -9.311
  464    H    LYS  88           H        LYS  88  10.243   7.522  -5.672
  465    HA   LYS  88           HA       LYS  88   8.086   5.826  -6.255
  466   1HB   LYS  88          2HB       LYS  88  10.416   5.049  -5.986
  467   2HB   LYS  88          1HB       LYS  88  10.319   5.382  -4.262
  468   1HG   LYS  88          2HG       LYS  88  10.019   3.031  -4.629
  469   2HG   LYS  88          1HG       LYS  88   8.491   3.726  -4.083
  470   1HD   LYS  88          2HD       LYS  88   7.691   2.509  -5.825
  471   2HD   LYS  88          1HD       LYS  88   8.137   3.961  -6.721
  472   1HE   LYS  88          2HE       LYS  88   9.598   1.346  -6.529
  473   2HE   LYS  88          1HE       LYS  88   9.022   2.184  -7.967
  474   1HZ   LYS  88          3HZ       LYS  88  10.680   3.908  -7.577
  475   2HZ   LYS  88          2HZ       LYS  88  11.245   3.081  -6.214
  476   3HZ   LYS  88          1HZ       LYS  88  11.408   2.390  -7.749
  477    H    ALA  89           H        ALA  89   9.057   7.422  -3.249
  478    HA   ALA  89           HA       ALA  89   7.135   6.188  -1.590
  479   1HB   ALA  89          3HB       ALA  89   9.166   7.416  -0.800
  480   2HB   ALA  89          1HB       ALA  89   7.674   7.843   0.039
  481   3HB   ALA  89          2HB       ALA  89   8.334   8.922  -1.190
  482    H    ILE  90           H        ILE  90   6.956   8.824  -3.840
  483    HA   ILE  90           HA       ILE  90   4.608  10.053  -2.830
  484    HB   ILE  90           HB       ILE  90   5.612  10.028  -5.682
  485   1HG1  ILE  90          2HG1      ILE  90   6.115  12.034  -3.470
  486   2HG1  ILE  90          1HG1      ILE  90   7.290  10.863  -4.059
  487   1HG2  ILE  90          2HG2      ILE  90   3.276  10.724  -5.471
  488   2HG2  ILE  90          1HG2      ILE  90   3.743  11.932  -4.274
  489   3HG2  ILE  90          3HG2      ILE  90   4.309  12.074  -5.939
  490   1HD1  ILE  90          1HD1      ILE  90   7.168  11.930  -6.284
  491   2HD1  ILE  90          3HD1      ILE  90   6.097  13.152  -5.601
  492   3HD1  ILE  90          2HD1      ILE  90   7.754  13.007  -5.017
  493    H    LYS  91           H        LYS  91   5.083   7.851  -5.602
  494    HA   LYS  91           HA       LYS  91   2.392   7.458  -6.206
  495   1HB   LYS  91          2HB       LYS  91   4.920   6.037  -6.768
  496   2HB   LYS  91          1HB       LYS  91   3.464   5.060  -6.895
  497   1HG   LYS  91          2HG       LYS  91   3.899   7.669  -8.331
  498   2HG   LYS  91          1HG       LYS  91   4.170   6.074  -9.035
  499   1HD   LYS  91          2HD       LYS  91   1.796   5.523  -8.585
  500   2HD   LYS  91          1HD       LYS  91   1.555   7.174  -8.010
  501   1HE   LYS  91          2HE       LYS  91   0.818   6.965 -10.311
  502   2HE   LYS  91          1HE       LYS  91   2.224   8.026 -10.210
  503   1HZ   LYS  91          1HZ       LYS  91   3.616   6.171 -10.913
  504   2HZ   LYS  91          3HZ       LYS  91   2.255   5.171 -11.030
  505   3HZ   LYS  91          2HZ       LYS  91   2.420   6.499 -12.062
  506    H    PHE  92           H        PHE  92   4.398   6.034  -3.743
  507    HA   PHE  92           HA       PHE  92   2.775   3.834  -3.073
  508   1HB   PHE  92          2HB       PHE  92   5.141   4.165  -2.350
  509   2HB   PHE  92          1HB       PHE  92   4.594   5.424  -1.251
  510    HD1  PHE  92           HD1      PHE  92   2.993   2.142  -1.955
  511    HD2  PHE  92           HD2      PHE  92   5.112   4.560   0.835
  512    HE1  PHE  92           HE1      PHE  92   2.622   0.445  -0.212
  513    HE2  PHE  92           HE2      PHE  92   4.744   2.866   2.584
  514    HZ   PHE  92           HZ       PHE  92   3.501   0.805   2.059
  515    H    LYS  93           H        LYS  93   3.120   6.915  -1.293
  516    HA   LYS  93           HA       LYS  93   0.903   6.521   0.368
  517   1HB   LYS  93          2HB       LYS  93   2.596   8.158   0.919
  518   2HB   LYS  93          1HB       LYS  93   2.228   9.085  -0.529
  519   1HG   LYS  93          2HG       LYS  93   0.086   9.710   0.333
  520   2HG   LYS  93          1HG       LYS  93   0.268   8.621   1.708
  521   1HD   LYS  93          2HD       LYS  93   2.151  10.909   1.176
  522   2HD   LYS  93          1HD       LYS  93   0.694  11.077   2.160
  523   1HE   LYS  93          2HE       LYS  93   2.978   9.172   2.672
  524   2HE   LYS  93          1HE       LYS  93   2.664  10.670   3.549
  525   1HZ   LYS  93          3HZ       LYS  93   0.546   9.736   4.281
  526   2HZ   LYS  93          2HZ       LYS  93   0.884   8.292   3.469
  527   3HZ   LYS  93          1HZ       LYS  93   1.844   8.771   4.776
  528    H    ILE  94           H        ILE  94   1.102   7.558  -2.926
  529    HA   ILE  94           HA       ILE  94  -1.339   8.961  -3.106
  530    HB   ILE  94           HB       ILE  94   0.384   7.569  -5.125
  531   1HG1  ILE  94          2HG1      ILE  94  -0.556  10.435  -4.879
  532   2HG1  ILE  94          1HG1      ILE  94   0.970   9.830  -4.244
  533   1HG2  ILE  94          2HG2      ILE  94  -2.322   8.787  -5.655
  534   2HG2  ILE  94          1HG2      ILE  94  -1.155   8.342  -6.900
  535   3HG2  ILE  94          3HG2      ILE  94  -1.864   7.098  -5.868
  536   1HD1  ILE  94          1HD1      ILE  94   1.683   9.263  -6.510
  537   2HD1  ILE  94          3HD1      ILE  94   0.156   9.879  -7.140
  538   3HD1  ILE  94          2HD1      ILE  94   1.291  10.976  -6.355
  539    H    LEU  95           H        LEU  95  -0.659   5.682  -4.358
  540    HA   LEU  95           HA       LEU  95  -3.271   4.923  -4.826
  541   1HB   LEU  95          2HB       LEU  95  -1.083   3.096  -3.833
  542   2HB   LEU  95          1HB       LEU  95  -2.505   2.626  -4.743
  543    HG   LEU  95           HG       LEU  95  -0.196   4.281  -5.760
  544   1HD1  LEU  95          3HD1      LEU  95   0.224   1.857  -5.500
  545   2HD1  LEU  95          2HD1      LEU  95  -1.145   1.536  -6.564
  546   3HD1  LEU  95          1HD1      LEU  95   0.268   2.395  -7.179
  547   1HD2  LEU  95          1HD2      LEU  95  -2.725   3.415  -7.159
  548   2HD2  LEU  95          3HD2      LEU  95  -2.271   5.069  -6.745
  549   3HD2  LEU  95          2HD2      LEU  95  -1.333   4.169  -7.937
  550    H    ILE  96           H        ILE  96  -1.487   5.032  -1.838
  551    HA   ILE  96           HA       ILE  96  -3.325   3.490  -0.321
  552    HB   ILE  96           HB       ILE  96  -1.268   5.503   0.588
  553   1HG1  ILE  96          2HG1      ILE  96  -1.109   2.492   0.686
  554   2HG1  ILE  96          1HG1      ILE  96  -0.522   3.421  -0.689
  555   1HG2  ILE  96          2HG2      ILE  96  -2.830   3.466   2.170
  556   2HG2  ILE  96          1HG2      ILE  96  -1.465   4.396   2.787
  557   3HG2  ILE  96          3HG2      ILE  96  -2.947   5.221   2.301
  558   1HD1  ILE  96          2HD1      ILE  96   1.023   4.609   0.801
  559   2HD1  ILE  96          1HD1      ILE  96   0.457   3.620   2.148
  560   3HD1  ILE  96          3HD1      ILE  96   1.295   2.868   0.792
  561    H    ASN  97           H        ASN  97  -2.942   6.936  -0.953
  562    HA   ASN  97           HA       ASN  97  -4.839   7.867   0.910
  563   1HB   ASN  97          2HB       ASN  97  -3.204   9.351  -0.159
  564   2HB   ASN  97          1HB       ASN  97  -3.975   9.089  -1.722
  565   1HD2  ASN  97          1HD2      ASN  97  -4.214  10.632   1.375
  566   2HD2  ASN  97          2HD2      ASN  97  -5.519  11.692   0.975
  567    H    LYS  98           H        LYS  98  -5.123   7.054  -2.535
  568    HA   LYS  98           HA       LYS  98  -7.866   7.672  -2.770
  569   1HB   LYS  98          2HB       LYS  98  -5.943   6.025  -4.374
  570   2HB   LYS  98          1HB       LYS  98  -7.659   5.975  -4.751
  571   1HG   LYS  98          2HG       LYS  98  -6.594   7.578  -6.173
  572   2HG   LYS  98          1HG       LYS  98  -7.629   8.433  -5.029
  573   1HD   LYS  98          2HD       LYS  98  -5.634   8.885  -3.629
  574   2HD   LYS  98          1HD       LYS  98  -4.632   8.121  -4.865
  575   1HE   LYS  98          2HE       LYS  98  -6.365  10.561  -5.240
  576   2HE   LYS  98          1HE       LYS  98  -4.608  10.551  -5.090
  577   1HZ   LYS  98          1HZ       LYS  98  -4.492   9.228  -7.119
  578   2HZ   LYS  98          3HZ       LYS  98  -6.177   9.278  -7.268
  579   3HZ   LYS  98          2HZ       LYS  98  -5.274  10.702  -7.395
  580    H    MET  99           H        MET  99  -6.146   4.834  -1.687
  581    HA   MET  99           HA       MET  99  -8.313   3.014  -1.790
  582   1HB   MET  99          2HB       MET  99  -6.016   2.231  -1.612
  583   2HB   MET  99          1HB       MET  99  -5.832   3.035  -0.059
  584   1HG   MET  99          2HG       MET  99  -7.547   1.551   0.888
  585   2HG   MET  99          1HG       MET  99  -7.659   0.722  -0.662
  586   1HE   MET  99          1HE       MET  99  -7.256  -1.561   0.578
  587   2HE   MET  99          3HE       MET  99  -5.838  -1.927   1.559
  588   3HE   MET  99          2HE       MET  99  -7.042  -0.780   2.145
  589    H    ARG 100           H        ARG 100  -7.206   5.349   0.571
  590    HA   ARG 100           HA       ARG 100  -8.816   4.490   2.735
  591   1HB   ARG 100          2HB       ARG 100  -6.837   6.007   2.924
  592   2HB   ARG 100          1HB       ARG 100  -7.794   7.280   2.180
  593   1HG   ARG 100          2HG       ARG 100  -9.426   7.025   4.067
  594   2HG   ARG 100          1HG       ARG 100  -8.253   5.956   4.838
  595   1HD   ARG 100          2HD       ARG 100  -7.838   8.845   4.080
  596   2HD   ARG 100          1HD       ARG 100  -8.030   8.204   5.711
  597    HE   ARG 100           HE       ARG 100  -5.875   6.868   4.680
  598   1HH1  ARG 100          1HH1      ARG 100  -6.724  10.211   5.165
  599   2HH1  ARG 100          2HH1      ARG 100  -5.087  10.728   5.393
  600   1HH2  ARG 100          1HH2      ARG 100  -3.713   7.541   4.982
  601   2HH2  ARG 100          2HH2      ARG 100  -3.376   9.211   5.292
  602    H    ASP 101           H        ASP 101  -9.275   6.933   0.207
  603    HA   ASP 101           HA       ASP 101 -11.882   7.675   1.150
  604   1HB   ASP 101          2HB       ASP 101 -10.437   8.289  -1.434
  605   2HB   ASP 101          1HB       ASP 101 -11.991   8.980  -0.979
  606    H    SER 102           H        SER 102 -10.609   5.255  -0.934
  607    HA   SER 102           HA       SER 102 -11.551   3.608  -2.188
  608   1HB   SER 102          2HB       SER 102 -12.715   3.135  -0.058
  609   2HB   SER 102          1HB       SER 102 -14.013   4.227  -0.537
  610    HG   SER 102           HG       SER 102 -14.842   2.621  -1.584
  611    H    LYS 103           H        LYS 103 -13.791   3.122  -3.477
  612    HA   LYS 103           HA       LYS 103 -13.851   4.939  -5.591
  613   1HB   LYS 103          2HB       LYS 103 -14.584   2.535  -5.657
  614   2HB   LYS 103          1HB       LYS 103 -16.060   3.018  -4.834
  615   1HG   LYS 103          2HG       LYS 103 -15.322   4.408  -7.359
  616   2HG   LYS 103          1HG       LYS 103 -15.960   2.766  -7.448
  617   1HD   LYS 103          2HD       LYS 103 -17.319   5.048  -6.014
  618   2HD   LYS 103          1HD       LYS 103 -17.695   4.541  -7.661
  619   1HE   LYS 103          2HE       LYS 103 -18.339   2.339  -6.857
  620   2HE   LYS 103          1HE       LYS 103 -17.901   2.791  -5.212
  621   1HZ   LYS 103          3HZ       LYS 103 -20.046   4.057  -6.831
  622   2HZ   LYS 103          2HZ       LYS 103 -20.286   2.948  -5.578
  623   3HZ   LYS 103          1HZ       LYS 103 -19.632   4.473  -5.244
  624    H    LEU 104           H        LEU 104 -14.417   7.010  -5.351
  625    HA   LEU 104           HA       LEU 104 -16.814   7.640  -3.768
  626   1HB   LEU 104          2HB       LEU 104 -14.674   8.707  -3.088
  627   2HB   LEU 104          1HB       LEU 104 -14.600   9.490  -4.655
  628    HG   LEU 104           HG       LEU 104 -16.732  10.660  -4.122
  629   1HD1  LEU 104          3HD1      LEU 104 -16.306   9.465  -1.385
  630   2HD1  LEU 104          2HD1      LEU 104 -17.500  10.697  -1.801
  631   3HD1  LEU 104          1HD1      LEU 104 -17.622   9.080  -2.497
  632   1HD2  LEU 104          3HD2      LEU 104 -14.460  11.070  -2.182
  633   2HD2  LEU 104          2HD2      LEU 104 -14.598  11.771  -3.794
  634   3HD2  LEU 104          1HD2      LEU 104 -15.734  12.240  -2.530
  635    H    GLU 105           H        GLU 105 -15.154   9.213  -6.506
  636    HA   GLU 105           HA       GLU 105 -17.727   9.250  -7.930
  637   1HB   GLU 105          2HB       GLU 105 -15.744  11.521  -7.711
  638   2HB   GLU 105          1HB       GLU 105 -17.139  11.512  -8.780
  639   1HG   GLU 105          2HG       GLU 105 -18.624  11.361  -6.851
  640   2HG   GLU 105          1HG       GLU 105 -17.226  11.364  -5.777
  641    H    TRP 106           H        TRP 106 -15.610   7.380  -8.241
  642    HA   TRP 106           HA       TRP 106 -14.984   7.881 -11.050
  643   1HB   TRP 106          2HB       TRP 106 -12.683   6.772 -10.552
  644   2HB   TRP 106          1HB       TRP 106 -12.904   8.486 -10.218
  645    HD1  TRP 106           HD1      TRP 106 -12.638   5.104  -8.394
  646    HE1  TRP 106           HE1      TRP 106 -11.932   5.556  -5.960
  647    HE3  TRP 106           HE3      TRP 106 -12.876  10.212  -8.411
  648    HZ2  TRP 106           HZ2      TRP 106 -11.525   7.782  -4.272
  649    HZ3  TRP 106           HZ3      TRP 106 -12.311  11.427  -6.347
  650    HH2  TRP 106           HH2      TRP 106 -11.651  10.234  -4.321
  651    H    LYS 107           H        LYS 107 -16.828   6.392 -11.163
  652    HA   LYS 107           HA       LYS 107 -16.155   3.604 -10.557
  653   1HB   LYS 107          2HB       LYS 107 -18.339   4.450  -9.777
  654   2HB   LYS 107          1HB       LYS 107 -18.783   4.814 -11.438
  655   1HG   LYS 107          2HG       LYS 107 -18.714   2.469 -12.011
  656   2HG   LYS 107          1HG       LYS 107 -18.154   2.064 -10.388
  657   1HD   LYS 107          2HD       LYS 107 -20.506   1.612 -10.508
  658   2HD   LYS 107          1HD       LYS 107 -20.267   3.032  -9.489
  659   1HE   LYS 107          2HE       LYS 107 -20.862   4.485 -11.349
  660   2HE   LYS 107          1HE       LYS 107 -21.044   3.085 -12.404
  661   1HZ   LYS 107          1HZ       LYS 107 -22.674   3.644  -9.984
  662   2HZ   LYS 107          3HZ       LYS 107 -23.177   3.871 -11.582
  663   3HZ   LYS 107          2HZ       LYS 107 -22.856   2.312 -11.010
  664    H    ASP 108           H        ASP 108 -14.855   2.897 -12.174
  665    HA   ASP 108           HA       ASP 108 -15.867   3.179 -14.926
  666   1HB   ASP 108          2HB       ASP 108 -13.478   2.804 -15.626
  667   2HB   ASP 108          1HB       ASP 108 -13.763   4.309 -14.756

  No H/Q in entry =         667
  Start of MODEL   18
    1    H1   GLY  24          1H        GLY  24  -9.151 -23.397  -2.876
    2    H2   GLY  24          3H        GLY  24  -7.508 -23.000  -2.957
    3    H3   GLY  24          2H        GLY  24  -8.251 -23.226  -1.454
    4   1HA   GLY  24          2HA       GLY  24  -7.929 -20.875  -1.896
    5   2HA   GLY  24          1HA       GLY  24  -9.632 -21.289  -1.783
    6    H    SER  25           H        SER  25 -10.762 -21.709  -3.856
    7    HA   SER  25           HA       SER  25  -9.689 -20.932  -6.338
    8   1HB   SER  25          2HB       SER  25 -12.582 -20.962  -5.441
    9   2HB   SER  25          1HB       SER  25 -12.029 -20.880  -7.113
   10    HG   SER  25           HG       SER  25 -11.671 -23.006  -5.272
   11    H    HIS  26           H        HIS  26  -8.787 -18.968  -6.543
   12    HA   HIS  26           HA       HIS  26  -8.565 -16.711  -6.685
   13   1HB   HIS  26          2HB       HIS  26 -11.590 -16.797  -6.696
   14   2HB   HIS  26          1HB       HIS  26 -10.617 -15.390  -7.117
   15    HD1  HIS  26           HD1      HIS  26 -12.001 -18.503  -8.497
   16    HD2  HIS  26           HD2      HIS  26  -9.120 -15.703  -9.558
   17    HE1  HIS  26           HE1      HIS  26 -11.534 -18.909 -10.934
   18    HE2  HIS  26           HE2      HIS  26  -9.850 -17.150 -11.574
   19    H    MET  27           H        MET  27  -9.704 -14.553  -5.616
   20    HA   MET  27           HA       MET  27 -10.522 -14.872  -2.905
   21   1HB   MET  27          2HB       MET  27  -8.508 -13.812  -1.885
   22   2HB   MET  27          1HB       MET  27  -8.219 -15.429  -2.511
   23   1HG   MET  27          2HG       MET  27  -7.218 -14.455  -4.526
   24   2HG   MET  27          1HG       MET  27  -7.477 -12.843  -3.862
   25   1HE   MET  27          2HE       MET  27  -4.658 -14.010  -4.894
   26   2HE   MET  27          1HE       MET  27  -4.861 -12.365  -4.291
   27   3HE   MET  27          3HE       MET  27  -3.575 -13.388  -3.649
   28    H    ASN  28           H        ASN  28 -10.719 -12.770  -1.782
   29    HA   ASN  28           HA       ASN  28 -10.630 -10.433  -3.524
   30   1HB   ASN  28          2HB       ASN  28 -13.045  -9.949  -2.501
   31   2HB   ASN  28          1HB       ASN  28 -12.825 -10.823  -4.013
   32   1HD2  ASN  28          1HD2      ASN  28 -12.069 -12.210  -0.893
   33   2HD2  ASN  28          2HD2      ASN  28 -13.357 -13.359  -0.879
   34    H    ASN  29           H        ASN  29 -12.420 -10.845  -0.502
   35    HA   ASN  29           HA       ASN  29 -12.180  -9.943   1.567
   36   1HB   ASN  29          2HB       ASN  29  -9.968 -11.084   1.501
   37   2HB   ASN  29          1HB       ASN  29  -9.262  -9.616   0.835
   38   1HD2  ASN  29          1HD2      ASN  29 -11.763  -9.684   3.283
   39   2HD2  ASN  29          2HD2      ASN  29 -10.790  -9.057   4.564
   40    H    GLU  30           H        GLU  30 -12.106  -7.909   2.636
   41    HA   GLU  30           HA       GLU  30 -11.472  -5.600   0.941
   42   1HB   GLU  30          2HB       GLU  30 -13.903  -6.079   0.767
   43   2HB   GLU  30          1HB       GLU  30 -14.041  -5.885   2.509
   44   1HG   GLU  30          2HG       GLU  30 -14.767  -3.881   1.388
   45   2HG   GLU  30          1HG       GLU  30 -13.292  -3.562   2.299
   46    H    ASP  31           H        ASP  31 -12.294  -6.775   4.178
   47    HA   ASP  31           HA       ASP  31 -11.632  -4.464   5.612
   48   1HB   ASP  31          2HB       ASP  31 -11.451  -7.360   6.473
   49   2HB   ASP  31          1HB       ASP  31 -11.393  -5.975   7.560
   50    H    PHE  32           H        PHE  32  -9.747  -3.438   5.388
   51    HA   PHE  32           HA       PHE  32  -7.281  -4.919   4.997
   52   1HB   PHE  32          2HB       PHE  32  -6.249  -2.721   4.686
   53   2HB   PHE  32          1HB       PHE  32  -7.690  -2.879   3.689
   54    HD1  PHE  32           HD1      PHE  32  -6.133  -1.133   6.465
   55    HD2  PHE  32           HD2      PHE  32  -9.729  -1.644   4.247
   56    HE1  PHE  32           HE1      PHE  32  -7.020   0.950   7.431
   57    HE2  PHE  32           HE2      PHE  32 -10.621   0.438   5.208
   58    HZ   PHE  32           HZ       PHE  32  -9.266   1.737   6.801
   59    H    SER  33           H        SER  33  -9.076  -3.795   7.600
   60    HA   SER  33           HA       SER  33  -7.045  -2.948   9.370
   61   1HB   SER  33          2HB       SER  33  -8.720  -3.341  11.148
   62   2HB   SER  33          1HB       SER  33  -9.404  -2.450   9.788
   63    HG   SER  33           HG       SER  33  -9.915  -4.819   9.110
   64    H    GLN  34           H        GLN  34  -7.835  -6.016   8.152
   65    HA   GLN  34           HA       GLN  34  -6.213  -7.296  10.253
   66   1HB   GLN  34          2HB       GLN  34  -8.694  -7.912  10.166
   67   2HB   GLN  34          1HB       GLN  34  -8.330  -8.715   8.645
   68   1HG   GLN  34          2HG       GLN  34  -6.809 -10.217   9.739
   69   2HG   GLN  34          1HG       GLN  34  -6.987  -9.347  11.263
   70   1HE2  GLN  34          1HE2      GLN  34  -8.464 -11.547   9.022
   71   2HE2  GLN  34          2HE2      GLN  34  -9.743 -12.071  10.060
   72    H    TRP  35           H        TRP  35  -5.875  -6.153   7.341
   73    HA   TRP  35           HA       TRP  35  -5.095  -8.261   5.668
   74   1HB   TRP  35          2HB       TRP  35  -4.854  -5.362   5.696
   75   2HB   TRP  35          1HB       TRP  35  -3.430  -6.128   5.002
   76    HD1  TRP  35           HD1      TRP  35  -6.815  -7.791   4.453
   77    HE1  TRP  35           HE1      TRP  35  -7.459  -7.564   1.972
   78    HE3  TRP  35           HE3      TRP  35  -3.132  -4.579   2.946
   79    HZ2  TRP  35           HZ2      TRP  35  -6.532  -6.201  -0.319
   80    HZ3  TRP  35           HZ3      TRP  35  -3.083  -3.861   0.594
   81    HH2  TRP  35           HH2      TRP  35  -4.750  -4.656  -1.004
   82    H    SER  36           H        SER  36  -2.977  -8.986   5.073
   83    HA   SER  36           HA       SER  36  -1.108  -8.949   7.341
   84   1HB   SER  36          2HB       SER  36  -1.353 -10.955   5.087
   85   2HB   SER  36          1HB       SER  36  -0.208 -11.051   6.422
   86    HG   SER  36           HG       SER  36  -1.727 -11.945   7.541
   87    H    VAL  37           H        VAL  37   1.241  -9.509   6.467
   88    HA   VAL  37           HA       VAL  37   2.158  -7.204   5.144
   89    HB   VAL  37           HB       VAL  37   3.597  -9.831   5.554
   90   1HG1  VAL  37          1HG1      VAL  37   4.676  -7.084   4.929
   91   2HG1  VAL  37          3HG1      VAL  37   5.648  -8.500   5.327
   92   3HG1  VAL  37          2HG1      VAL  37   4.684  -8.480   3.851
   93   1HG2  VAL  37          3HG2      VAL  37   2.804  -8.852   7.645
   94   2HG2  VAL  37          2HG2      VAL  37   4.562  -8.760   7.525
   95   3HG2  VAL  37          1HG2      VAL  37   3.581  -7.324   7.230
   96    H    ASP  38           H        ASP  38   1.833 -10.558   4.007
   97    HA   ASP  38           HA       ASP  38   2.847 -10.168   1.431
   98   1HB   ASP  38          2HB       ASP  38   1.641 -12.242   0.845
   99   2HB   ASP  38          1HB       ASP  38   2.517 -12.392   2.366
  100    H    ASP  39           H        ASP  39  -0.351  -9.588   2.753
  101    HA   ASP  39           HA       ASP  39  -1.693  -9.276   0.274
  102   1HB   ASP  39          2HB       ASP  39  -2.355  -8.259   3.041
  103   2HB   ASP  39          1HB       ASP  39  -3.435  -8.115   1.657
  104    H    VAL  40           H        VAL  40  -0.135  -6.985   2.478
  105    HA   VAL  40           HA       VAL  40  -0.883  -4.656   1.037
  106    HB   VAL  40           HB       VAL  40   1.422  -5.047   2.951
  107   1HG1  VAL  40          1HG1      VAL  40   0.091  -2.525   1.969
  108   2HG1  VAL  40          3HG1      VAL  40   1.310  -2.609   3.240
  109   3HG1  VAL  40          2HG1      VAL  40   1.726  -3.060   1.587
  110   1HG2  VAL  40          1HG2      VAL  40  -0.752  -5.589   3.943
  111   2HG2  VAL  40          3HG2      VAL  40  -0.071  -4.118   4.638
  112   3HG2  VAL  40          2HG2      VAL  40  -1.368  -4.013   3.448
  113    H    ILE  41           H        ILE  41   2.083  -6.614   1.079
  114    HA   ILE  41           HA       ILE  41   3.545  -4.994  -0.708
  115    HB   ILE  41           HB       ILE  41   3.860  -7.953  -0.194
  116   1HG1  ILE  41          2HG1      ILE  41   5.267  -5.594   1.075
  117   2HG1  ILE  41          1HG1      ILE  41   4.001  -6.542   1.846
  118   1HG2  ILE  41          1HG2      ILE  41   5.773  -5.939  -1.373
  119   2HG2  ILE  41          3HG2      ILE  41   6.165  -7.613  -0.978
  120   3HG2  ILE  41          2HG2      ILE  41   4.980  -7.258  -2.234
  121   1HD1  ILE  41          3HD1      ILE  41   5.435  -8.527   1.713
  122   2HD1  ILE  41          2HD1      ILE  41   6.709  -7.539   0.997
  123   3HD1  ILE  41          1HD1      ILE  41   6.170  -7.224   2.647
  124    H    THR  42           H        THR  42   1.823  -8.066  -1.287
  125    HA   THR  42           HA       THR  42   2.263  -8.302  -3.997
  126    HB   THR  42           HB       THR  42  -0.270  -9.043  -2.518
  127    HG1  THR  42           HG1      THR  42   2.074  -9.938  -2.078
  128   1HG2  THR  42          1HG2      THR  42   0.824  -9.966  -5.178
  129   2HG2  THR  42          3HG2      THR  42  -0.534 -10.714  -4.335
  130   3HG2  THR  42          2HG2      THR  42  -0.660  -9.051  -4.906
  131    H    TRP  43           H        TRP  43  -0.651  -6.840  -2.517
  132    HA   TRP  43           HA       TRP  43  -1.785  -5.901  -4.878
  133   1HB   TRP  43          2HB       TRP  43  -3.012  -5.959  -2.760
  134   2HB   TRP  43          1HB       TRP  43  -1.973  -4.695  -2.109
  135    HD1  TRP  43           HD1      TRP  43  -4.664  -5.192  -4.836
  136    HE1  TRP  43           HE1      TRP  43  -5.785  -2.919  -5.281
  137    HE3  TRP  43           HE3      TRP  43  -1.731  -2.241  -1.861
  138    HZ2  TRP  43           HZ2      TRP  43  -5.467  -0.232  -4.482
  139    HZ3  TRP  43           HZ3      TRP  43  -2.206   0.171  -1.759
  140    HH2  TRP  43           HH2      TRP  43  -4.036   1.154  -3.043
  141    H    CYS  44           H        CYS  44   0.616  -4.418  -2.767
  142    HA   CYS  44           HA       CYS  44   0.656  -1.862  -3.904
  143   1HB   CYS  44          2HB       CYS  44   1.771  -2.403  -1.786
  144   2HB   CYS  44          1HB       CYS  44   2.934  -3.405  -2.646
  145    HG   CYS  44           HG       CYS  44   4.538  -1.355  -2.343
  146    H    ILE  45           H        ILE  45   3.158  -4.338  -4.400
  147    HA   ILE  45           HA       ILE  45   4.392  -3.218  -6.601
  148    HB   ILE  45           HB       ILE  45   4.062  -6.173  -6.071
  149   1HG1  ILE  45          2HG1      ILE  45   6.241  -4.315  -5.098
  150   2HG1  ILE  45          1HG1      ILE  45   4.891  -4.861  -4.108
  151   1HG2  ILE  45          1HG2      ILE  45   4.953  -5.676  -8.283
  152   2HG2  ILE  45          3HG2      ILE  45   6.203  -4.663  -7.562
  153   3HG2  ILE  45          2HG2      ILE  45   6.187  -6.400  -7.253
  154   1HD1  ILE  45          1HD1      ILE  45   5.639  -7.169  -4.367
  155   2HD1  ILE  45          3HD1      ILE  45   6.994  -6.616  -5.351
  156   3HD1  ILE  45          2HD1      ILE  45   6.890  -6.150  -3.653
  157    H    SER  46           H        SER  46   1.425  -5.041  -6.455
  158    HA   SER  46           HA       SER  46   1.252  -5.829  -9.149
  159   1HB   SER  46          2HB       SER  46  -0.162  -6.810  -7.418
  160   2HB   SER  46          1HB       SER  46  -0.966  -5.260  -7.174
  161    HG   SER  46           HG       SER  46  -0.920  -6.343  -9.751
  162    H    THR  47           H        THR  47   1.087  -2.723  -7.806
  163    HA   THR  47           HA       THR  47   0.407  -1.586 -10.351
  164    HB   THR  47           HB       THR  47  -1.844  -2.033  -9.565
  165    HG1  THR  47           HG1      THR  47  -1.783   0.684  -9.070
  166   1HG2  THR  47          2HG2      THR  47  -1.071  -0.416  -7.137
  167   2HG2  THR  47          1HG2      THR  47  -2.709  -0.944  -7.523
  168   3HG2  THR  47          3HG2      THR  47  -1.456  -2.137  -7.174
  169    H    LEU  48           H        LEU  48   2.453  -1.493  -8.050
  170    HA   LEU  48           HA       LEU  48   2.303   1.268  -7.192
  171   1HB   LEU  48          2HB       LEU  48   3.252  -0.723  -5.865
  172   2HB   LEU  48          1HB       LEU  48   4.672  -0.560  -6.874
  173    HG   LEU  48           HG       LEU  48   4.937   0.513  -4.674
  174   1HD1  LEU  48          3HD1      LEU  48   6.144   1.352  -6.672
  175   2HD1  LEU  48          2HD1      LEU  48   4.875   2.559  -6.881
  176   3HD1  LEU  48          1HD1      LEU  48   5.879   2.576  -5.430
  177   1HD2  LEU  48          1HD2      LEU  48   2.628   1.161  -4.290
  178   2HD2  LEU  48          3HD2      LEU  48   3.701   2.553  -4.152
  179   3HD2  LEU  48          2HD2      LEU  48   2.725   2.334  -5.603
  180    H    GLU  49           H        GLU  49   4.991  -0.506  -8.727
  181    HA   GLU  49           HA       GLU  49   5.236   1.620 -10.712
  182   1HB   GLU  49          2HB       GLU  49   6.687   2.314  -8.860
  183   2HB   GLU  49          1HB       GLU  49   7.518   0.767  -8.924
  184   1HG   GLU  49          2HG       GLU  49   8.247   1.290 -11.222
  185   2HG   GLU  49          1HG       GLU  49   7.483   2.872 -11.073
  186    H    VAL  50           H        VAL  50   6.916  -1.280  -9.523
  187    HA   VAL  50           HA       VAL  50   7.141  -2.204 -12.312
  188    HB   VAL  50           HB       VAL  50   9.119  -3.453 -11.645
  189   1HG1  VAL  50          2HG1      VAL  50   9.418  -1.140 -12.370
  190   2HG1  VAL  50          1HG1      VAL  50   9.237  -0.588 -10.705
  191   3HG1  VAL  50          3HG1      VAL  50  10.622  -1.583 -11.159
  192   1HG2  VAL  50          1HG2      VAL  50   8.648  -2.299  -8.896
  193   2HG2  VAL  50          3HG2      VAL  50   8.485  -3.994  -9.357
  194   3HG2  VAL  50          2HG2      VAL  50  10.069  -3.220  -9.393
  195    H    GLU  51           H        GLU  51   7.878  -4.809 -11.854
  196    HA   GLU  51           HA       GLU  51   5.371  -5.957 -10.860
  197   1HB   GLU  51          2HB       GLU  51   6.114  -7.997 -12.094
  198   2HB   GLU  51          1HB       GLU  51   5.910  -6.585 -13.123
  199   1HG   GLU  51          2HG       GLU  51   8.257  -6.249 -13.265
  200   2HG   GLU  51          1HG       GLU  51   8.567  -7.455 -12.017
  201    H    GLU  52           H        GLU  52   6.013  -8.488 -10.214
  202    HA   GLU  52           HA       GLU  52   7.372  -8.137  -7.704
  203   1HB   GLU  52          2HB       GLU  52   5.330  -9.676  -8.301
  204   2HB   GLU  52          1HB       GLU  52   6.578 -10.822  -8.770
  205   1HG   GLU  52          2HG       GLU  52   6.234  -9.575  -6.052
  206   2HG   GLU  52          1HG       GLU  52   5.841 -11.233  -6.504
  207    H    THR  53           H        THR  53   9.405  -7.497  -8.735
  208    HA   THR  53           HA       THR  53  11.147  -9.822  -9.067
  209    HB   THR  53           HB       THR  53  12.340  -8.785 -10.948
  210    HG1  THR  53           HG1      THR  53  11.003  -7.010 -12.002
  211   1HG2  THR  53          3HG2      THR  53   9.378  -9.093 -11.448
  212   2HG2  THR  53          2HG2      THR  53  10.634  -9.130 -12.685
  213   3HG2  THR  53          1HG2      THR  53  10.575 -10.390 -11.453
  214    H    ASP  54           H        ASP  54  10.947  -6.303  -8.865
  215    HA   ASP  54           HA       ASP  54  13.543  -5.812  -7.935
  216   1HB   ASP  54          2HB       ASP  54  12.095  -4.067  -8.863
  217   2HB   ASP  54          1HB       ASP  54  10.990  -4.240  -7.505
  218    HA   PRO  55           HA       PRO  55  13.558  -7.260  -3.746
  219   1HB   PRO  55          2HB       PRO  55  15.045  -4.772  -3.100
  220   2HB   PRO  55          1HB       PRO  55  15.491  -6.458  -2.816
  221   1HG   PRO  55          2HG       PRO  55  16.661  -5.058  -4.750
  222   2HG   PRO  55          1HG       PRO  55  16.238  -6.765  -4.992
  223   1HD   PRO  55          2HD       PRO  55  14.850  -4.307  -5.985
  224   2HD   PRO  55          1HD       PRO  55  15.136  -5.851  -6.813
  225    H    LEU  56           H        LEU  56  11.919  -4.527  -4.723
  226    HA   LEU  56           HA       LEU  56  11.271  -3.069  -2.499
  227   1HB   LEU  56          2HB       LEU  56  10.471  -2.594  -4.776
  228   2HB   LEU  56          1HB       LEU  56   9.386  -3.965  -4.678
  229    HG   LEU  56           HG       LEU  56   8.266  -2.801  -2.729
  230   1HD1  LEU  56          2HD1      LEU  56   9.967  -0.516  -3.712
  231   2HD1  LEU  56          1HD1      LEU  56   8.576  -0.343  -2.643
  232   3HD1  LEU  56          3HD1      LEU  56   9.992  -1.249  -2.108
  233   1HD2  LEU  56          2HD2      LEU  56   7.319  -2.866  -4.987
  234   2HD2  LEU  56          1HD2      LEU  56   6.954  -1.348  -4.166
  235   3HD2  LEU  56          3HD2      LEU  56   8.214  -1.403  -5.399
  236    H    CYS  57           H        CYS  57  10.246  -6.308  -3.304
  237    HA   CYS  57           HA       CYS  57   8.123  -6.469  -1.412
  238   1HB   CYS  57          2HB       CYS  57   8.172  -7.971  -3.316
  239   2HB   CYS  57          1HB       CYS  57   9.722  -8.628  -2.801
  240    HG   CYS  57           HG       CYS  57   7.222 -10.225  -2.368
  241    H    GLN  58           H        GLN  58  11.472  -7.672  -1.421
  242    HA   GLN  58           HA       GLN  58  11.420  -8.803   1.146
  243   1HB   GLN  58          2HB       GLN  58  13.171  -9.228  -0.574
  244   2HB   GLN  58          1HB       GLN  58  13.804  -7.613  -0.285
  245   1HG   GLN  58          2HG       GLN  58  14.292  -8.218   2.030
  246   2HG   GLN  58          1HG       GLN  58  13.653  -9.835   1.742
  247   1HE2  GLN  58          1HE2      GLN  58  15.598 -10.824   2.240
  248   2HE2  GLN  58          2HE2      GLN  58  16.970 -10.752   1.193
  249    H    ARG  59           H        ARG  59  11.795  -5.520   0.067
  250    HA   ARG  59           HA       ARG  59  12.944  -4.458   2.433
  251   1HB   ARG  59          2HB       ARG  59  12.873  -3.352   0.156
  252   2HB   ARG  59          1HB       ARG  59  11.184  -2.979   0.474
  253   1HG   ARG  59          2HG       ARG  59  12.373  -1.039   1.033
  254   2HG   ARG  59          1HG       ARG  59  11.985  -1.808   2.574
  255   1HD   ARG  59          2HD       ARG  59  14.252  -2.825   2.571
  256   2HD   ARG  59          1HD       ARG  59  14.620  -1.910   1.109
  257    HE   ARG  59           HE       ARG  59  13.797  -0.473   3.528
  258   1HH1  ARG  59          1HH1      ARG  59  16.240  -1.259   1.169
  259   2HH1  ARG  59          2HH1      ARG  59  17.310   0.008   1.668
  260   1HH2  ARG  59          1HH2      ARG  59  15.198   1.197   4.188
  261   2HH2  ARG  59          2HH2      ARG  59  16.720   1.402   3.386
  262    H    LEU  60           H        LEU  60   9.604  -4.278   1.198
  263    HA   LEU  60           HA       LEU  60   8.438  -3.175   3.471
  264   1HB   LEU  60          2HB       LEU  60   7.359  -4.915   1.272
  265   2HB   LEU  60          1HB       LEU  60   6.331  -4.364   2.581
  266    HG   LEU  60           HG       LEU  60   7.895  -2.428   0.894
  267   1HD1  LEU  60          2HD1      LEU  60   5.122  -3.491   0.377
  268   2HD1  LEU  60          1HD1      LEU  60   5.867  -2.124  -0.453
  269   3HD1  LEU  60          3HD1      LEU  60   6.544  -3.742  -0.635
  270   1HD2  LEU  60          1HD2      LEU  60   6.991  -1.624   3.023
  271   2HD2  LEU  60          3HD2      LEU  60   6.187  -0.865   1.648
  272   3HD2  LEU  60          2HD2      LEU  60   5.381  -2.157   2.538
  273    H    ARG  61           H        ARG  61   8.832  -6.589   2.566
  274    HA   ARG  61           HA       ARG  61   7.491  -7.709   4.750
  275   1HB   ARG  61          2HB       ARG  61   8.208  -8.955   2.712
  276   2HB   ARG  61          1HB       ARG  61   9.866  -8.884   3.294
  277   1HG   ARG  61          2HG       ARG  61   9.213 -10.157   5.285
  278   2HG   ARG  61          1HG       ARG  61   7.561 -10.248   4.672
  279   1HD   ARG  61          2HD       ARG  61   8.404 -11.429   2.673
  280   2HD   ARG  61          1HD       ARG  61  10.025 -11.398   3.368
  281    HE   ARG  61           HE       ARG  61   8.351 -12.568   5.249
  282   1HH1  ARG  61          1HH1      ARG  61   9.494 -13.235   2.024
  283   2HH1  ARG  61          2HH1      ARG  61   9.395 -14.953   2.206
  284   1HH2  ARG  61          1HH2      ARG  61   8.217 -14.831   5.495
  285   2HH2  ARG  61          2HH2      ARG  61   8.669 -15.861   4.177
  286    H    GLU  62           H        GLU  62  10.830  -6.621   4.404
  287    HA   GLU  62           HA       GLU  62  11.914  -7.699   6.729
  288   1HB   GLU  62          2HB       GLU  62  13.278  -6.587   5.029
  289   2HB   GLU  62          1HB       GLU  62  12.534  -5.042   5.421
  290   1HG   GLU  62          2HG       GLU  62  13.505  -5.129   7.653
  291   2HG   GLU  62          1HG       GLU  62  14.233  -6.691   7.281
  292    H    ASN  63           H        ASN  63  10.371  -4.528   6.271
  293    HA   ASN  63           HA       ASN  63  10.297  -4.137   9.155
  294   1HB   ASN  63          2HB       ASN  63   9.363  -2.328   6.915
  295   2HB   ASN  63          1HB       ASN  63   9.437  -1.896   8.621
  296   1HD2  ASN  63          1HD2      ASN  63  11.265  -2.529   5.741
  297   2HD2  ASN  63          2HD2      ASN  63  12.765  -1.886   6.308
  298    H    ASP  64           H        ASP  64   8.805  -5.660   9.835
  299    HA   ASP  64           HA       ASP  64   6.356  -6.278   8.750
  300   1HB   ASP  64          2HB       ASP  64   5.661  -6.837  11.118
  301   2HB   ASP  64          1HB       ASP  64   7.163  -7.579  10.578
  302    H    ILE  65           H        ILE  65   5.108  -4.676   7.949
  303    HA   ILE  65           HA       ILE  65   3.983  -2.772   9.893
  304    HB   ILE  65           HB       ILE  65   4.752  -2.175   7.035
  305   1HG1  ILE  65          2HG1      ILE  65   6.632  -2.131   8.630
  306   2HG1  ILE  65          1HG1      ILE  65   6.272  -0.528   8.002
  307   1HG2  ILE  65          1HG2      ILE  65   3.307  -0.449   9.035
  308   2HG2  ILE  65          3HG2      ILE  65   3.923   0.099   7.477
  309   3HG2  ILE  65          2HG2      ILE  65   2.644  -1.113   7.542
  310   1HD1  ILE  65          1HD1      ILE  65   5.415  -1.580  10.688
  311   2HD1  ILE  65          3HD1      ILE  65   6.778  -0.501  10.390
  312   3HD1  ILE  65          2HD1      ILE  65   5.133   0.045  10.062
  313    H    VAL  66           H        VAL  66   1.885  -3.159  10.124
  314    HA   VAL  66           HA       VAL  66   0.402  -4.708   8.219
  315    HB   VAL  66           HB       VAL  66   0.057  -4.802  10.703
  316   1HG1  VAL  66          3HG1      VAL  66   0.143  -2.397  11.144
  317   2HG1  VAL  66          2HG1      VAL  66  -1.372  -2.186  10.267
  318   3HG1  VAL  66          1HG1      VAL  66  -1.341  -3.120  11.762
  319   1HG2  VAL  66          1HG2      VAL  66  -1.580  -5.683   9.063
  320   2HG2  VAL  66          3HG2      VAL  66  -2.313  -5.160  10.579
  321   3HG2  VAL  66          2HG2      VAL  66  -2.436  -4.142   9.146
  322    H    GLY  67           H        GLY  67  -1.767  -3.955   7.433
  323   1HA   GLY  67          1HA       GLY  67  -2.990  -2.552   6.093
  324   2HA   GLY  67          2HA       GLY  67  -1.484  -1.708   5.776
  325    H    ASP  68           H        ASP  68  -2.723  -1.981   9.021
  326    HA   ASP  68           HA       ASP  68  -4.189   0.466   9.024
  327   1HB   ASP  68          2HB       ASP  68  -4.617  -1.377  10.623
  328   2HB   ASP  68          1HB       ASP  68  -3.045  -1.079  11.360
  329    H    LEU  69           H        LEU  69  -0.932  -0.125   8.851
  330    HA   LEU  69           HA       LEU  69  -0.203   2.311  10.320
  331   1HB   LEU  69          2HB       LEU  69   1.235  -0.185   9.587
  332   2HB   LEU  69          1HB       LEU  69   2.174   1.289   9.698
  333    HG   LEU  69           HG       LEU  69   1.754   1.522  12.002
  334   1HD1  LEU  69          1HD1      LEU  69  -0.423  -0.522  11.640
  335   2HD1  LEU  69          3HD1      LEU  69   0.174   0.002  13.213
  336   3HD1  LEU  69          2HD1      LEU  69  -0.594   1.162  12.130
  337   1HD2  LEU  69          3HD2      LEU  69   3.335  -0.275  11.395
  338   2HD2  LEU  69          2HD2      LEU  69   2.537  -0.554  12.944
  339   3HD2  LEU  69          1HD2      LEU  69   2.013  -1.438  11.511
  340    H    LEU  70           H        LEU  70  -0.973   1.375   7.249
  341    HA   LEU  70           HA       LEU  70   1.056   2.678   5.748
  342   1HB   LEU  70          2HB       LEU  70  -1.776   1.997   4.957
  343   2HB   LEU  70          1HB       LEU  70  -0.510   2.500   3.855
  344    HG   LEU  70           HG       LEU  70  -0.452  -0.019   5.516
  345   1HD1  LEU  70          2HD1      LEU  70  -1.010   0.382   2.581
  346   2HD1  LEU  70          1HD1      LEU  70  -0.812  -1.176   3.386
  347   3HD1  LEU  70          3HD1      LEU  70  -2.172  -0.133   3.805
  348   1HD2  LEU  70          2HD2      LEU  70   1.385   0.990   3.346
  349   2HD2  LEU  70          1HD2      LEU  70   1.776   0.824   5.058
  350   3HD2  LEU  70          3HD2      LEU  70   1.459  -0.611   4.081
  351    HA   PRO  71           HA       PRO  71  -1.830   6.450   5.628
  352   1HB   PRO  71          2HB       PRO  71  -4.194   6.479   6.854
  353   2HB   PRO  71          1HB       PRO  71  -3.983   5.642   5.312
  354   1HG   PRO  71          2HG       PRO  71  -4.143   4.520   8.073
  355   2HG   PRO  71          1HG       PRO  71  -4.802   3.877   6.559
  356   1HD   PRO  71          2HD       PRO  71  -2.425   3.065   7.777
  357   2HD   PRO  71          1HD       PRO  71  -2.881   2.759   6.092
  358    H    GLU  72           H        GLU  72  -1.052   4.839   8.484
  359    HA   GLU  72           HA       GLU  72  -1.537   7.095  10.250
  360   1HB   GLU  72          2HB       GLU  72  -1.920   4.838  11.098
  361   2HB   GLU  72          1HB       GLU  72  -0.248   4.408  10.765
  362   1HG   GLU  72          2HG       GLU  72   0.516   6.011  12.419
  363   2HG   GLU  72          1HG       GLU  72  -1.147   6.509  12.727
  364    H    LEU  73           H        LEU  73   1.102   5.611   8.517
  365    HA   LEU  73           HA       LEU  73   3.085   7.240   9.892
  366   1HB   LEU  73          2HB       LEU  73   3.387   5.241   7.650
  367   2HB   LEU  73          1HB       LEU  73   4.711   6.051   8.465
  368    HG   LEU  73           HG       LEU  73   2.758   4.190   9.821
  369   1HD1  LEU  73          1HD1      LEU  73   5.581   3.696   8.885
  370   2HD1  LEU  73          3HD1      LEU  73   4.611   2.592   9.859
  371   3HD1  LEU  73          2HD1      LEU  73   4.117   2.980   8.212
  372   1HD2  LEU  73          2HD2      LEU  73   5.344   5.419  10.773
  373   2HD2  LEU  73          1HD2      LEU  73   3.724   5.851  11.321
  374   3HD2  LEU  73          3HD2      LEU  73   4.370   4.246  11.660
  375    H    CYS  74           H        CYS  74   4.748   8.349   8.458
  376    HA   CYS  74           HA       CYS  74   3.302   9.940   6.454
  377   1HB   CYS  74          2HB       CYS  74   5.822  10.573   8.003
  378   2HB   CYS  74          1HB       CYS  74   5.070  11.637   6.821
  379    HG   CYS  74           HG       CYS  74   2.595  11.289   8.595
  380    H    LEU  75           H        LEU  75   5.374  11.060   5.072
  381    HA   LEU  75           HA       LEU  75   6.044   9.002   3.234
  382   1HB   LEU  75          2HB       LEU  75   7.004  11.853   3.473
  383   2HB   LEU  75          1HB       LEU  75   7.422  10.791   2.142
  384    HG   LEU  75           HG       LEU  75   4.600  11.600   2.846
  385   1HD1  LEU  75          3HD1      LEU  75   6.448  12.648   0.708
  386   2HD1  LEU  75          2HD1      LEU  75   4.734  13.035   0.859
  387   3HD1  LEU  75          1HD1      LEU  75   5.866  13.535   2.117
  388   1HD2  LEU  75          1HD2      LEU  75   4.759   9.453   1.695
  389   2HD2  LEU  75          3HD2      LEU  75   4.061  10.685   0.646
  390   3HD2  LEU  75          2HD2      LEU  75   5.741  10.196   0.432
  391    H    GLN  76           H        GLN  76   7.401   9.852   6.161
  392    HA   GLN  76           HA       GLN  76  10.158   9.610   5.690
  393   1HB   GLN  76          2HB       GLN  76   9.200  10.472   7.791
  394   2HB   GLN  76          1HB       GLN  76   8.600   8.865   8.173
  395   1HG   GLN  76          2HG       GLN  76  10.618   9.331   9.413
  396   2HG   GLN  76          1HG       GLN  76  10.896   8.029   8.258
  397   1HE2  GLN  76          1HE2      GLN  76  12.208   8.402   6.470
  398   2HE2  GLN  76          2HE2      GLN  76  13.280   9.753   6.383
  399    H    ASP  77           H        ASP  77   8.021   7.148   7.148
  400    HA   ASP  77           HA       ASP  77   9.850   5.034   6.836
  401   1HB   ASP  77          2HB       ASP  77   6.836   4.896   7.083
  402   2HB   ASP  77          1HB       ASP  77   7.953   3.561   7.348
  403    H    CYS  78           H        CYS  78   7.326   6.304   4.759
  404    HA   CYS  78           HA       CYS  78   7.161   4.202   2.920
  405   1HB   CYS  78          2HB       CYS  78   6.796   7.168   2.445
  406   2HB   CYS  78          1HB       CYS  78   6.272   5.892   1.350
  407    HG   CYS  78           HG       CYS  78   3.926   6.524   2.439
  408    H    GLN  79           H        GLN  79   9.363   6.954   3.110
  409    HA   GLN  79           HA       GLN  79  10.627   6.479   0.607
  410   1HB   GLN  79          2HB       GLN  79  10.628   8.620   2.080
  411   2HB   GLN  79          1HB       GLN  79  11.973   7.855   2.915
  412   1HG   GLN  79          2HG       GLN  79  13.225   7.743   0.835
  413   2HG   GLN  79          1HG       GLN  79  11.868   8.462  -0.032
  414   1HE2  GLN  79          1HE2      GLN  79  13.023  10.237  -0.715
  415   2HE2  GLN  79          2HE2      GLN  79  13.533  11.492   0.357
  416    H    ASP  80           H        ASP  80  11.251   5.458   3.918
  417    HA   ASP  80           HA       ASP  80  13.763   4.227   3.384
  418   1HB   ASP  80          2HB       ASP  80  13.142   4.906   5.648
  419   2HB   ASP  80          1HB       ASP  80  11.791   3.774   5.637
  420    H    LEU  81           H        LEU  81  10.513   3.332   2.844
  421    HA   LEU  81           HA       LEU  81  11.049   0.481   2.715
  422   1HB   LEU  81          2HB       LEU  81   8.669   2.225   2.651
  423   2HB   LEU  81          1HB       LEU  81   8.558   0.769   1.683
  424    HG   LEU  81           HG       LEU  81   8.679  -0.637   3.546
  425   1HD1  LEU  81          1HD1      LEU  81   9.744   1.715   5.100
  426   2HD1  LEU  81          3HD1      LEU  81   9.300   0.164   5.812
  427   3HD1  LEU  81          2HD1      LEU  81  10.618   0.251   4.644
  428   1HD2  LEU  81          1HD2      LEU  81   6.563   0.584   3.427
  429   2HD2  LEU  81          3HD2      LEU  81   6.988   0.184   5.091
  430   3HD2  LEU  81          2HD2      LEU  81   7.222   1.827   4.491
  431    H    CYS  82           H        CYS  82  11.281   3.158   0.676
  432    HA   CYS  82           HA       CYS  82  10.966   1.553  -1.756
  433   1HB   CYS  82          2HB       CYS  82  11.298   4.536  -1.379
  434   2HB   CYS  82          1HB       CYS  82  11.127   3.737  -2.937
  435    HG   CYS  82           HG       CYS  82   8.574   2.591  -1.708
  436    H    ASP  83           H        ASP  83  12.617   2.224  -3.534
  437    HA   ASP  83           HA       ASP  83  15.167   1.358  -2.673
  438   1HB   ASP  83          2HB       ASP  83  14.320   2.625  -5.286
  439   2HB   ASP  83          1HB       ASP  83  15.870   1.837  -5.004
  440    H    GLY  84           H        GLY  84  13.699   4.425  -2.693
  441   1HA   GLY  84          1HA       GLY  84  16.324   5.766  -2.548
  442   2HA   GLY  84          2HA       GLY  84  15.118   6.009  -1.293
  443    H    ASP  85           H        ASP  85  13.983   5.642  -4.515
  444    HA   ASP  85           HA       ASP  85  14.118   8.358  -5.326
  445   1HB   ASP  85          2HB       ASP  85  13.880   6.597  -6.974
  446   2HB   ASP  85          1HB       ASP  85  12.352   6.087  -6.263
  447    H    LEU  86           H        LEU  86  12.934  10.032  -4.691
  448    HA   LEU  86           HA       LEU  86  10.964   9.865  -2.707
  449   1HB   LEU  86          2HB       LEU  86  12.247  11.888  -3.068
  450   2HB   LEU  86          1HB       LEU  86  11.564  12.075  -4.672
  451    HG   LEU  86           HG       LEU  86   9.337  12.443  -3.666
  452   1HD1  LEU  86          2HD1      LEU  86   9.680  11.166  -1.605
  453   2HD1  LEU  86          1HD1      LEU  86  10.821  12.389  -1.042
  454   3HD1  LEU  86          3HD1      LEU  86   9.123  12.806  -1.274
  455   1HD2  LEU  86          2HD2      LEU  86  10.800  14.336  -4.210
  456   2HD2  LEU  86          1HD2      LEU  86   9.780  14.674  -2.811
  457   3HD2  LEU  86          3HD2      LEU  86  11.481  14.269  -2.585
  458    H    ASN  87           H        ASN  87  10.682  10.253  -6.219
  459    HA   ASN  87           HA       ASN  87   7.941  10.610  -6.417
  460   1HB   ASN  87          2HB       ASN  87   9.949   9.330  -8.253
  461   2HB   ASN  87          1HB       ASN  87   8.247   9.422  -8.688
  462   1HD2  ASN  87          1HD2      ASN  87  11.165  11.213  -8.108
  463   2HD2  ASN  87          2HD2      ASN  87  10.631  12.702  -8.803
  464    H    LYS  88           H        LYS  88   9.793   7.673  -5.946
  465    HA   LYS  88           HA       LYS  88   7.797   5.786  -6.493
  466   1HB   LYS  88          2HB       LYS  88  10.261   5.356  -6.116
  467   2HB   LYS  88          1HB       LYS  88   9.951   5.520  -4.395
  468   1HG   LYS  88          2HG       LYS  88   9.859   3.246  -4.650
  469   2HG   LYS  88          1HG       LYS  88   8.158   3.672  -4.843
  470   1HD   LYS  88          2HD       LYS  88   8.305   3.508  -7.216
  471   2HD   LYS  88          1HD       LYS  88  10.063   3.379  -7.158
  472   1HE   LYS  88          2HE       LYS  88   8.031   1.353  -6.246
  473   2HE   LYS  88          1HE       LYS  88   9.201   1.195  -7.554
  474   1HZ   LYS  88          2HZ       LYS  88  10.978   1.297  -5.893
  475   2HZ   LYS  88          1HZ       LYS  88   9.828   1.376  -4.656
  476   3HZ   LYS  88          3HZ       LYS  88   9.941  -0.010  -5.620
  477    H    ALA  89           H        ALA  89   8.700   7.383  -3.452
  478    HA   ALA  89           HA       ALA  89   6.790   6.087  -1.832
  479   1HB   ALA  89          1HB       ALA  89   8.747   7.236  -0.916
  480   2HB   ALA  89          3HB       ALA  89   8.075   8.786  -1.423
  481   3HB   ALA  89          2HB       ALA  89   7.249   7.826  -0.194
  482    H    ILE  90           H        ILE  90   6.606   8.864  -3.941
  483    HA   ILE  90           HA       ILE  90   4.246  10.016  -2.926
  484    HB   ILE  90           HB       ILE  90   5.295  10.035  -5.762
  485   1HG1  ILE  90          2HG1      ILE  90   5.578  12.069  -3.536
  486   2HG1  ILE  90          1HG1      ILE  90   6.847  10.976  -4.077
  487   1HG2  ILE  90          3HG2      ILE  90   3.210  11.768  -4.441
  488   2HG2  ILE  90          2HG2      ILE  90   3.894  12.044  -6.043
  489   3HG2  ILE  90          1HG2      ILE  90   2.942  10.595  -5.730
  490   1HD1  ILE  90          2HD1      ILE  90   6.811  12.039  -6.279
  491   2HD1  ILE  90          1HD1      ILE  90   5.558  13.145  -5.717
  492   3HD1  ILE  90          3HD1      ILE  90   7.165  13.193  -4.993
  493    H    LYS  91           H        LYS  91   4.649   7.926  -5.798
  494    HA   LYS  91           HA       LYS  91   1.944   7.498  -6.292
  495   1HB   LYS  91          2HB       LYS  91   4.239   5.594  -6.798
  496   2HB   LYS  91          1HB       LYS  91   2.653   5.506  -7.552
  497   1HG   LYS  91          2HG       LYS  91   4.592   7.792  -7.854
  498   2HG   LYS  91          1HG       LYS  91   4.352   6.493  -9.024
  499   1HD   LYS  91          2HD       LYS  91   2.184   8.380  -8.106
  500   2HD   LYS  91          1HD       LYS  91   3.135   8.600  -9.574
  501   1HE   LYS  91          2HE       LYS  91   2.328   6.425 -10.395
  502   2HE   LYS  91          1HE       LYS  91   1.345   6.256  -8.942
  503   1HZ   LYS  91          1HZ       LYS  91   0.145   8.268  -9.581
  504   2HZ   LYS  91          3HZ       LYS  91   1.071   8.387 -10.992
  505   3HZ   LYS  91          2HZ       LYS  91   0.025   7.076 -10.776
  506    H    PHE  92           H        PHE  92   4.083   6.050  -3.968
  507    HA   PHE  92           HA       PHE  92   2.566   3.772  -3.305
  508   1HB   PHE  92          2HB       PHE  92   4.913   4.076  -2.640
  509   2HB   PHE  92          1HB       PHE  92   4.449   5.406  -1.587
  510    HD1  PHE  92           HD1      PHE  92   3.525   1.829  -2.149
  511    HD2  PHE  92           HD2      PHE  92   4.289   4.950   0.642
  512    HE1  PHE  92           HE1      PHE  92   3.214   0.240  -0.296
  513    HE2  PHE  92           HE2      PHE  92   3.975   3.367   2.501
  514    HZ   PHE  92           HZ       PHE  92   3.439   1.008   2.033
  515    H    LYS  93           H        LYS  93   2.887   6.786  -1.424
  516    HA   LYS  93           HA       LYS  93   0.714   6.287   0.270
  517   1HB   LYS  93          2HB       LYS  93   2.504   7.942   0.721
  518   2HB   LYS  93          1HB       LYS  93   1.845   8.971  -0.543
  519   1HG   LYS  93          2HG       LYS  93  -0.263   9.133   0.726
  520   2HG   LYS  93          1HG       LYS  93   0.464   8.168   2.011
  521   1HD   LYS  93          2HD       LYS  93   0.630  10.474   2.630
  522   2HD   LYS  93          1HD       LYS  93   2.246   9.905   2.208
  523   1HE   LYS  93          2HE       LYS  93   2.030  10.913  -0.005
  524   2HE   LYS  93          1HE       LYS  93   0.402  11.459   0.395
  525   1HZ   LYS  93          3HZ       LYS  93   1.350  12.817   2.171
  526   2HZ   LYS  93          2HZ       LYS  93   2.907  12.318   1.739
  527   3HZ   LYS  93          1HZ       LYS  93   1.987  13.242   0.662
  528    H    ILE  94           H        ILE  94   0.822   7.349  -2.989
  529    HA   ILE  94           HA       ILE  94  -1.604   8.802  -3.095
  530    HB   ILE  94           HB       ILE  94   0.126   7.482  -5.146
  531   1HG1  ILE  94          2HG1      ILE  94  -0.918  10.306  -4.840
  532   2HG1  ILE  94          1HG1      ILE  94   0.648   9.743  -4.264
  533   1HG2  ILE  94          2HG2      ILE  94  -2.143   6.947  -5.861
  534   2HG2  ILE  94          1HG2      ILE  94  -2.598   8.644  -5.712
  535   3HG2  ILE  94          3HG2      ILE  94  -1.417   8.153  -6.925
  536   1HD1  ILE  94          1HD1      ILE  94   1.285   9.228  -6.579
  537   2HD1  ILE  94          3HD1      ILE  94  -0.266   9.865  -7.127
  538   3HD1  ILE  94          2HD1      ILE  94   0.898  10.933  -6.343
  539    H    LEU  95           H        LEU  95  -0.960   5.545  -4.419
  540    HA   LEU  95           HA       LEU  95  -3.590   4.824  -4.868
  541   1HB   LEU  95          2HB       LEU  95  -1.410   2.940  -3.965
  542   2HB   LEU  95          1HB       LEU  95  -2.845   2.523  -4.879
  543    HG   LEU  95           HG       LEU  95  -0.518   4.178  -5.860
  544   1HD1  LEU  95          2HD1      LEU  95  -0.124   1.746  -5.688
  545   2HD1  LEU  95          1HD1      LEU  95  -1.512   1.472  -6.740
  546   3HD1  LEU  95          3HD1      LEU  95  -0.099   2.333  -7.350
  547   1HD2  LEU  95          2HD2      LEU  95  -3.063   3.387  -7.275
  548   2HD2  LEU  95          1HD2      LEU  95  -2.598   5.021  -6.798
  549   3HD2  LEU  95          3HD2      LEU  95  -1.667   4.163  -8.027
  550    H    ILE  96           H        ILE  96  -1.700   4.683  -1.917
  551    HA   ILE  96           HA       ILE  96  -3.654   3.224  -0.439
  552    HB   ILE  96           HB       ILE  96  -1.426   4.944   0.649
  553   1HG1  ILE  96          2HG1      ILE  96  -1.324   1.967   0.183
  554   2HG1  ILE  96          1HG1      ILE  96  -0.783   3.119  -1.033
  555   1HG2  ILE  96          2HG2      ILE  96  -2.980   2.662   1.861
  556   2HG2  ILE  96          1HG2      ILE  96  -1.583   3.444   2.600
  557   3HG2  ILE  96          3HG2      ILE  96  -3.065   4.361   2.328
  558   1HD1  ILE  96          1HD1      ILE  96   0.834   4.020   0.595
  559   2HD1  ILE  96          3HD1      ILE  96   0.330   2.775   1.739
  560   3HD1  ILE  96          2HD1      ILE  96   1.098   2.318   0.218
  561    H    ASN  97           H        ASN  97  -3.064   6.583  -1.109
  562    HA   ASN  97           HA       ASN  97  -4.530   7.736   0.990
  563   1HB   ASN  97          2HB       ASN  97  -3.021   9.040  -0.436
  564   2HB   ASN  97          1HB       ASN  97  -4.083   8.777  -1.816
  565   1HD2  ASN  97          1HD2      ASN  97  -4.413  10.964  -2.121
  566   2HD2  ASN  97          2HD2      ASN  97  -5.389  11.912  -1.058
  567    H    LYS  98           H        LYS  98  -5.559   7.352  -2.413
  568    HA   LYS  98           HA       LYS  98  -8.252   7.950  -1.947
  569   1HB   LYS  98          2HB       LYS  98  -6.866   6.425  -4.138
  570   2HB   LYS  98          1HB       LYS  98  -8.613   6.631  -4.127
  571   1HG   LYS  98          2HG       LYS  98  -7.947   8.386  -5.447
  572   2HG   LYS  98          1HG       LYS  98  -8.037   9.157  -3.863
  573   1HD   LYS  98          2HD       LYS  98  -6.001   9.865  -4.850
  574   2HD   LYS  98          1HD       LYS  98  -5.574   8.674  -3.618
  575   1HE   LYS  98          2HE       LYS  98  -4.313   8.330  -5.688
  576   2HE   LYS  98          1HE       LYS  98  -5.356   6.958  -5.325
  577   1HZ   LYS  98          2HZ       LYS  98  -5.967   9.121  -7.268
  578   2HZ   LYS  98          1HZ       LYS  98  -5.444   7.562  -7.666
  579   3HZ   LYS  98          3HZ       LYS  98  -6.953   7.788  -6.931
  580    H    MET  99           H        MET  99  -6.506   4.895  -1.785
  581    HA   MET  99           HA       MET  99  -8.678   3.147  -1.666
  582   1HB   MET  99          2HB       MET  99  -6.371   2.371  -1.901
  583   2HB   MET  99          1HB       MET  99  -6.003   2.929  -0.275
  584   1HG   MET  99          2HG       MET  99  -7.675   1.326   0.602
  585   2HG   MET  99          1HG       MET  99  -7.895   0.717  -1.038
  586   1HE   MET  99          2HE       MET  99  -7.141  -1.128   1.452
  587   2HE   MET  99          1HE       MET  99  -7.357  -1.750  -0.184
  588   3HE   MET  99          3HE       MET  99  -5.911  -2.168   0.732
  589    H    ARG 100           H        ARG 100  -7.163   5.091   0.851
  590    HA   ARG 100           HA       ARG 100  -8.694   3.926   2.981
  591   1HB   ARG 100          2HB       ARG 100  -6.384   5.318   2.924
  592   2HB   ARG 100          1HB       ARG 100  -7.498   6.612   3.345
  593   1HG   ARG 100          2HG       ARG 100  -7.215   4.017   4.849
  594   2HG   ARG 100          1HG       ARG 100  -6.469   5.548   5.308
  595   1HD   ARG 100          2HD       ARG 100  -8.700   6.558   5.506
  596   2HD   ARG 100          1HD       ARG 100  -9.428   5.010   5.080
  597    HE   ARG 100           HE       ARG 100  -7.777   4.554   7.261
  598   1HH1  ARG 100          1HH1      ARG 100 -10.640   6.402   6.527
  599   2HH1  ARG 100          2HH1      ARG 100 -11.255   6.330   8.144
  600   1HH2  ARG 100          1HH2      ARG 100  -8.580   4.455   9.390
  601   2HH2  ARG 100          2HH2      ARG 100 -10.084   5.225   9.771
  602    H    ASP 101           H        ASP 101  -8.879   6.902   1.070
  603    HA   ASP 101           HA       ASP 101 -10.917   8.189   2.456
  604   1HB   ASP 101          2HB       ASP 101 -10.255   8.222  -0.493
  605   2HB   ASP 101          1HB       ASP 101 -11.416   9.311   0.260
  606    H    SER 102           H        SER 102 -11.097   5.696  -0.037
  607    HA   SER 102           HA       SER 102 -12.800   4.386  -0.781
  608   1HB   SER 102          2HB       SER 102 -14.040   5.070   1.897
  609   2HB   SER 102          1HB       SER 102 -14.507   3.727   0.856
  610    HG   SER 102           HG       SER 102 -12.875   2.622   1.578
  611    H    LYS 103           H        LYS 103 -15.480   4.423  -0.732
  612    HA   LYS 103           HA       LYS 103 -17.298   5.385  -1.686
  613   1HB   LYS 103          2HB       LYS 103 -16.139   7.841  -0.363
  614   2HB   LYS 103          1HB       LYS 103 -17.738   7.768  -1.089
  615   1HG   LYS 103          2HG       LYS 103 -18.414   6.068   0.501
  616   2HG   LYS 103          1HG       LYS 103 -16.795   6.059   1.203
  617   1HD   LYS 103          2HD       LYS 103 -18.198   7.386   2.614
  618   2HD   LYS 103          1HD       LYS 103 -17.110   8.478   1.757
  619   1HE   LYS 103          2HE       LYS 103 -19.438   9.304   1.852
  620   2HE   LYS 103          1HE       LYS 103 -18.853   9.074   0.205
  621   1HZ   LYS 103          2HZ       LYS 103 -20.018   6.936   0.157
  622   2HZ   LYS 103          1HZ       LYS 103 -20.622   7.223   1.710
  623   3HZ   LYS 103          3HZ       LYS 103 -21.082   8.224   0.425
  624    H    LEU 104           H        LEU 104 -14.972   5.086  -3.290
  625    HA   LEU 104           HA       LEU 104 -15.655   6.928  -5.411
  626   1HB   LEU 104          2HB       LEU 104 -13.611   7.677  -3.782
  627   2HB   LEU 104          1HB       LEU 104 -12.743   6.760  -4.997
  628    HG   LEU 104           HG       LEU 104 -12.758   9.138  -5.537
  629   1HD1  LEU 104          1HD1      LEU 104 -12.731   7.510  -7.363
  630   2HD1  LEU 104          3HD1      LEU 104 -14.494   7.554  -7.422
  631   3HD1  LEU 104          2HD1      LEU 104 -13.561   8.996  -7.820
  632   1HD2  LEU 104          2HD2      LEU 104 -14.864   9.723  -4.424
  633   2HD2  LEU 104          1HD2      LEU 104 -14.815  10.302  -6.089
  634   3HD2  LEU 104          3HD2      LEU 104 -15.756   8.868  -5.682
  635    H    GLU 105           H        GLU 105 -13.936   4.137  -4.219
  636    HA   GLU 105           HA       GLU 105 -13.153   3.221  -6.838
  637   1HB   GLU 105          2HB       GLU 105 -12.523   1.121  -5.572
  638   2HB   GLU 105          1HB       GLU 105 -11.699   2.590  -5.073
  639   1HG   GLU 105          2HG       GLU 105 -13.231   2.801  -3.178
  640   2HG   GLU 105          1HG       GLU 105 -14.041   1.317  -3.676
  641    H    TRP 106           H        TRP 106 -15.457   3.470  -7.586
  642    HA   TRP 106           HA       TRP 106 -16.838   0.898  -7.260
  643   1HB   TRP 106          2HB       TRP 106 -18.998   2.311  -7.588
  644   2HB   TRP 106          1HB       TRP 106 -18.256   2.237  -5.996
  645    HD1  TRP 106           HD1      TRP 106 -17.045   4.565  -8.834
  646    HE1  TRP 106           HE1      TRP 106 -17.313   6.999  -8.039
  647    HE3  TRP 106           HE3      TRP 106 -19.445   3.714  -4.400
  648    HZ2  TRP 106           HZ2      TRP 106 -18.407   8.376  -5.832
  649    HZ3  TRP 106           HZ3      TRP 106 -20.072   5.645  -3.008
  650    HH2  TRP 106           HH2      TRP 106 -19.560   7.928  -3.710
  651    H    LYS 107           H        LYS 107 -15.086   2.422  -9.322
  652    HA   LYS 107           HA       LYS 107 -16.728   1.638 -11.621
  653   1HB   LYS 107          2HB       LYS 107 -16.878   4.100 -11.364
  654   2HB   LYS 107          1HB       LYS 107 -15.127   4.201 -11.490
  655   1HG   LYS 107          2HG       LYS 107 -15.201   3.367 -13.752
  656   2HG   LYS 107          1HG       LYS 107 -16.945   3.120 -13.634
  657   1HD   LYS 107          2HD       LYS 107 -17.263   5.527 -13.326
  658   2HD   LYS 107          1HD       LYS 107 -15.519   5.774 -13.441
  659   1HE   LYS 107          2HE       LYS 107 -16.612   6.283 -15.559
  660   2HE   LYS 107          1HE       LYS 107 -15.543   4.890 -15.719
  661   1HZ   LYS 107          3HZ       LYS 107 -17.474   3.440 -15.531
  662   2HZ   LYS 107          2HZ       LYS 107 -18.493   4.784 -15.404
  663   3HZ   LYS 107          1HZ       LYS 107 -17.640   4.504 -16.836
  664    H    ASP 108           H        ASP 108 -15.571  -0.158 -12.113
  665    HA   ASP 108           HA       ASP 108 -12.796   0.273 -12.973
  666   1HB   ASP 108          2HB       ASP 108 -12.699  -0.829 -10.791
  667   2HB   ASP 108          1HB       ASP 108 -13.784  -2.093 -11.365

  No H/Q in entry =         667
  Start of MODEL   19
    1    H1   GLY  24          1H        GLY  24  -2.844 -19.198   1.536
    2    H2   GLY  24          3H        GLY  24  -2.107 -19.790   2.939
    3    H3   GLY  24          2H        GLY  24  -2.821 -20.861   1.842
    4   1HA   GLY  24          2HA       GLY  24  -4.237 -18.841   3.494
    5   2HA   GLY  24          1HA       GLY  24  -4.241 -20.578   3.763
    6    H    SER  25           H        SER  25  -6.388 -18.548   3.121
    7    HA   SER  25           HA       SER  25  -7.433 -19.772   0.658
    8   1HB   SER  25          2HB       SER  25  -8.963 -19.356   3.238
    9   2HB   SER  25          1HB       SER  25  -9.673 -19.888   1.714
   10    HG   SER  25           HG       SER  25  -7.864 -21.246   3.397
   11    H    HIS  26           H        HIS  26  -7.929 -18.281  -0.789
   12    HA   HIS  26           HA       HIS  26  -8.141 -15.504  -0.024
   13   1HB   HIS  26          2HB       HIS  26  -8.370 -16.816  -2.740
   14   2HB   HIS  26          1HB       HIS  26  -8.289 -15.082  -2.449
   15    HD1  HIS  26           HD1      HIS  26  -6.200 -17.924  -3.183
   16    HD2  HIS  26           HD2      HIS  26  -5.725 -14.336  -1.142
   17    HE1  HIS  26           HE1      HIS  26  -3.716 -17.562  -3.028
   18    HE2  HIS  26           HE2      HIS  26  -3.451 -15.419  -1.729
   19    H    MET  27           H        MET  27 -10.031 -15.148   1.039
   20    HA   MET  27           HA       MET  27 -12.536 -16.073  -0.135
   21   1HB   MET  27          2HB       MET  27 -12.055 -16.238   2.342
   22   2HB   MET  27          1HB       MET  27 -12.154 -14.484   2.405
   23   1HG   MET  27          2HG       MET  27 -14.465 -14.596   1.597
   24   2HG   MET  27          1HG       MET  27 -14.360 -16.355   1.570
   25   1HE   MET  27          2HE       MET  27 -14.430 -13.134   3.783
   26   2HE   MET  27          1HE       MET  27 -14.196 -13.790   5.403
   27   3HE   MET  27          3HE       MET  27 -12.876 -13.839   4.233
   28    H    ASN  28           H        ASN  28 -10.525 -13.541  -0.569
   29    HA   ASN  28           HA       ASN  28 -10.698 -11.482  -1.506
   30   1HB   ASN  28          2HB       ASN  28 -12.039 -12.664  -3.192
   31   2HB   ASN  28          1HB       ASN  28 -13.488 -12.416  -2.222
   32   1HD2  ASN  28          1HD2      ASN  28 -14.517 -11.275  -3.843
   33   2HD2  ASN  28          2HD2      ASN  28 -14.061  -9.667  -4.280
   34    H    ASN  29           H        ASN  29 -10.527 -10.287   0.366
   35    HA   ASN  29           HA       ASN  29 -13.037  -9.451   1.646
   36   1HB   ASN  29          2HB       ASN  29 -11.649  -8.738   3.539
   37   2HB   ASN  29          1HB       ASN  29 -11.368 -10.434   3.158
   38   1HD2  ASN  29          1HD2      ASN  29  -9.411 -11.050   2.235
   39   2HD2  ASN  29          2HD2      ASN  29  -8.021 -10.024   2.269
   40    H    GLU  30           H        GLU  30 -12.526  -7.102   2.720
   41    HA   GLU  30           HA       GLU  30 -11.466  -5.368   0.600
   42   1HB   GLU  30          2HB       GLU  30 -13.941  -5.516   0.407
   43   2HB   GLU  30          1HB       GLU  30 -14.078  -4.902   2.049
   44   1HG   GLU  30          2HG       GLU  30 -13.013  -2.820   1.372
   45   2HG   GLU  30          1HG       GLU  30 -12.846  -3.434  -0.272
   46    H    ASP  31           H        ASP  31 -11.763  -6.144   3.889
   47    HA   ASP  31           HA       ASP  31 -11.066  -3.530   4.904
   48   1HB   ASP  31          2HB       ASP  31 -11.194  -6.220   6.282
   49   2HB   ASP  31          1HB       ASP  31 -10.947  -4.676   7.093
   50    H    PHE  32           H        PHE  32  -9.083  -2.776   5.347
   51    HA   PHE  32           HA       PHE  32  -6.805  -4.409   4.574
   52   1HB   PHE  32          2HB       PHE  32  -5.523  -2.277   4.863
   53   2HB   PHE  32          1HB       PHE  32  -6.828  -2.176   3.686
   54    HD1  PHE  32           HD1      PHE  32  -5.665  -1.112   6.990
   55    HD2  PHE  32           HD2      PHE  32  -8.769  -0.816   4.094
   56    HE1  PHE  32           HE1      PHE  32  -6.583   0.838   8.179
   57    HE2  PHE  32           HE2      PHE  32  -9.693   1.133   5.276
   58    HZ   PHE  32           HZ       PHE  32  -8.600   1.964   7.320
   59    H    SER  33           H        SER  33  -8.456  -3.564   7.402
   60    HA   SER  33           HA       SER  33  -6.297  -3.480   9.239
   61   1HB   SER  33          2HB       SER  33  -9.196  -4.219   9.710
   62   2HB   SER  33          1HB       SER  33  -8.023  -3.826  10.966
   63    HG   SER  33           HG       SER  33  -8.966  -2.113   8.910
   64    H    GLN  34           H        GLN  34  -7.755  -6.011   7.502
   65    HA   GLN  34           HA       GLN  34  -6.790  -8.055   9.368
   66   1HB   GLN  34          2HB       GLN  34  -9.103  -8.260   8.501
   67   2HB   GLN  34          1HB       GLN  34  -8.464  -8.361   6.866
   68   1HG   GLN  34          2HG       GLN  34  -7.278 -10.420   7.473
   69   2HG   GLN  34          1HG       GLN  34  -7.964 -10.325   9.092
   70   1HE2  GLN  34          1HE2      GLN  34 -10.155 -10.742   9.391
   71   2HE2  GLN  34          2HE2      GLN  34 -11.108 -11.543   8.194
   72    H    TRP  35           H        TRP  35  -5.950  -6.441   6.500
   73    HA   TRP  35           HA       TRP  35  -4.577  -8.387   5.054
   74   1HB   TRP  35          2HB       TRP  35  -4.254  -5.411   5.304
   75   2HB   TRP  35          1HB       TRP  35  -3.146  -6.353   4.314
   76    HD1  TRP  35           HD1      TRP  35  -6.506  -7.856   4.051
   77    HE1  TRP  35           HE1      TRP  35  -7.657  -7.122   1.870
   78    HE3  TRP  35           HE3      TRP  35  -3.378  -4.035   2.728
   79    HZ2  TRP  35           HZ2      TRP  35  -7.289  -5.179  -0.147
   80    HZ3  TRP  35           HZ3      TRP  35  -3.847  -2.789   0.658
   81    HH2  TRP  35           HH2      TRP  35  -5.762  -3.350  -0.749
   82    H    SER  36           H        SER  36  -2.256  -8.656   4.803
   83    HA   SER  36           HA       SER  36  -0.745  -8.242   7.295
   84   1HB   SER  36          2HB       SER  36  -1.512 -10.600   7.121
   85   2HB   SER  36          1HB       SER  36  -0.674 -10.737   5.575
   86    HG   SER  36           HG       SER  36   0.543 -11.518   7.395
   87    H    VAL  37           H        VAL  37   1.705  -9.077   6.630
   88    HA   VAL  37           HA       VAL  37   2.760  -7.026   5.086
   89    HB   VAL  37           HB       VAL  37   3.969  -9.723   5.717
   90   1HG1  VAL  37          2HG1      VAL  37   5.266  -7.237   4.605
   91   2HG1  VAL  37          1HG1      VAL  37   6.139  -8.638   5.227
   92   3HG1  VAL  37          3HG1      VAL  37   5.112  -8.801   3.804
   93   1HG2  VAL  37          2HG2      VAL  37   3.438  -8.393   7.686
   94   2HG2  VAL  37          1HG2      VAL  37   5.183  -8.489   7.451
   95   3HG2  VAL  37          3HG2      VAL  37   4.314  -7.020   7.009
   96    H    ASP  38           H        ASP  38   2.111 -10.397   4.155
   97    HA   ASP  38           HA       ASP  38   3.106 -10.210   1.532
   98   1HB   ASP  38          2HB       ASP  38   0.995 -12.039   2.691
   99   2HB   ASP  38          1HB       ASP  38   1.728 -12.245   1.103
  100    H    ASP  39           H        ASP  39  -0.099  -9.573   2.867
  101    HA   ASP  39           HA       ASP  39  -1.426  -9.280   0.384
  102   1HB   ASP  39          2HB       ASP  39  -2.125  -8.126   3.090
  103   2HB   ASP  39          1HB       ASP  39  -3.204  -8.182   1.700
  104    H    VAL  40           H        VAL  40   0.087  -6.931   2.570
  105    HA   VAL  40           HA       VAL  40  -0.646  -4.641   1.072
  106    HB   VAL  40           HB       VAL  40   1.644  -4.986   3.014
  107   1HG1  VAL  40          1HG1      VAL  40   0.337  -2.490   1.936
  108   2HG1  VAL  40          3HG1      VAL  40   1.515  -2.534   3.249
  109   3HG1  VAL  40          2HG1      VAL  40   1.986  -3.034   1.624
  110   1HG2  VAL  40          2HG2      VAL  40  -0.556  -5.495   3.984
  111   2HG2  VAL  40          1HG2      VAL  40   0.145  -4.028   4.668
  112   3HG2  VAL  40          3HG2      VAL  40  -1.140  -3.914   3.465
  113    H    ILE  41           H        ILE  41   2.174  -6.760   1.009
  114    HA   ILE  41           HA       ILE  41   3.751  -5.137  -0.699
  115    HB   ILE  41           HB       ILE  41   3.867  -8.098  -0.129
  116   1HG1  ILE  41          2HG1      ILE  41   5.651  -5.826   0.770
  117   2HG1  ILE  41          1HG1      ILE  41   4.364  -6.527   1.745
  118   1HG2  ILE  41          2HG2      ILE  41   5.795  -6.382  -1.692
  119   2HG2  ILE  41          1HG2      ILE  41   6.114  -8.032  -1.156
  120   3HG2  ILE  41          3HG2      ILE  41   4.824  -7.716  -2.316
  121   1HD1  ILE  41          3HD1      ILE  41   5.519  -8.683   1.698
  122   2HD1  ILE  41          2HD1      ILE  41   6.817  -7.955   0.750
  123   3HD1  ILE  41          1HD1      ILE  41   6.516  -7.408   2.399
  124    H    THR  42           H        THR  42   2.014  -8.174  -1.432
  125    HA   THR  42           HA       THR  42   2.396  -8.162  -4.172
  126    HB   THR  42           HB       THR  42  -0.054  -9.191  -2.728
  127    HG1  THR  42           HG1      THR  42   2.212  -9.953  -2.143
  128   1HG2  THR  42          2HG2      THR  42   1.140  -9.914  -5.410
  129   2HG2  THR  42          1HG2      THR  42  -0.210 -10.745  -4.637
  130   3HG2  THR  42          3HG2      THR  42  -0.381  -9.063  -5.140
  131    H    TRP  43           H        TRP  43  -0.477  -6.940  -2.431
  132    HA   TRP  43           HA       TRP  43  -1.888  -5.984  -4.609
  133   1HB   TRP  43          2HB       TRP  43  -2.937  -6.059  -2.454
  134   2HB   TRP  43          1HB       TRP  43  -1.757  -4.941  -1.777
  135    HD1  TRP  43           HD1      TRP  43  -4.809  -5.000  -4.117
  136    HE1  TRP  43           HE1      TRP  43  -5.752  -2.610  -4.280
  137    HE3  TRP  43           HE3      TRP  43  -1.174  -2.513  -1.520
  138    HZ2  TRP  43           HZ2      TRP  43  -5.045  -0.013  -3.424
  139    HZ3  TRP  43           HZ3      TRP  43  -1.383  -0.077  -1.237
  140    HH2  TRP  43           HH2      TRP  43  -3.280   1.145  -2.170
  141    H    CYS  44           H        CYS  44   0.382  -4.156  -2.560
  142    HA   CYS  44           HA       CYS  44   0.246  -1.719  -3.872
  143   1HB   CYS  44          2HB       CYS  44   1.400  -2.095  -1.718
  144   2HB   CYS  44          1HB       CYS  44   2.684  -2.946  -2.571
  145    HG   CYS  44           HG       CYS  44   1.919   0.378  -2.827
  146    H    ILE  45           H        ILE  45   2.892  -4.062  -4.278
  147    HA   ILE  45           HA       ILE  45   4.123  -2.921  -6.463
  148    HB   ILE  45           HB       ILE  45   3.883  -5.870  -5.857
  149   1HG1  ILE  45          2HG1      ILE  45   6.003  -3.878  -5.020
  150   2HG1  ILE  45          1HG1      ILE  45   4.731  -4.491  -3.970
  151   1HG2  ILE  45          2HG2      ILE  45   4.699  -5.476  -8.111
  152   2HG2  ILE  45          1HG2      ILE  45   5.926  -4.371  -7.490
  153   3HG2  ILE  45          3HG2      ILE  45   5.994  -6.085  -7.082
  154   1HD1  ILE  45          3HD1      ILE  45   5.628  -6.756  -4.234
  155   2HD1  ILE  45          2HD1      ILE  45   6.918  -6.114  -5.249
  156   3HD1  ILE  45          1HD1      ILE  45   6.813  -5.642  -3.552
  157    H    SER  46           H        SER  46   1.316  -5.050  -6.418
  158    HA   SER  46           HA       SER  46   1.253  -5.722  -9.137
  159   1HB   SER  46          2HB       SER  46  -0.939  -5.530  -7.076
  160   2HB   SER  46          1HB       SER  46  -1.216  -6.116  -8.716
  161    HG   SER  46           HG       SER  46   0.930  -7.306  -7.538
  162    H    THR  47           H        THR  47   0.566  -2.707  -7.635
  163    HA   THR  47           HA       THR  47  -0.309  -1.666 -10.220
  164    HB   THR  47           HB       THR  47  -2.407  -2.173  -9.102
  165    HG1  THR  47           HG1      THR  47  -1.764   0.116 -10.106
  166   1HG2  THR  47          1HG2      THR  47  -1.351  -0.428  -6.879
  167   2HG2  THR  47          3HG2      THR  47  -3.017  -0.989  -7.009
  168   3HG2  THR  47          2HG2      THR  47  -1.710  -2.152  -6.790
  169    H    LEU  48           H        LEU  48   1.939  -1.391  -8.017
  170    HA   LEU  48           HA       LEU  48   1.767   1.484  -7.558
  171   1HB   LEU  48          2HB       LEU  48   2.525  -0.119  -5.787
  172   2HB   LEU  48          1HB       LEU  48   3.964  -0.406  -6.745
  173    HG   LEU  48           HG       LEU  48   4.281   2.170  -6.593
  174   1HD1  LEU  48          1HD1      LEU  48   2.000   2.477  -5.571
  175   2HD1  LEU  48          3HD1      LEU  48   2.647   1.742  -4.102
  176   3HD1  LEU  48          2HD1      LEU  48   3.332   3.248  -4.714
  177   1HD2  LEU  48          3HD2      LEU  48   5.767   0.519  -5.596
  178   2HD2  LEU  48          2HD2      LEU  48   5.533   1.892  -4.515
  179   3HD2  LEU  48          1HD2      LEU  48   4.689   0.375  -4.209
  180    H    GLU  49           H        GLU  49   4.507  -0.566  -8.571
  181    HA   GLU  49           HA       GLU  49   4.945   1.194 -10.857
  182   1HB   GLU  49          2HB       GLU  49   6.249   1.895  -8.688
  183   2HB   GLU  49          1HB       GLU  49   7.307   0.564  -9.133
  184   1HG   GLU  49          2HG       GLU  49   6.645   2.952 -10.842
  185   2HG   GLU  49          1HG       GLU  49   8.152   2.677  -9.971
  186    H    VAL  50           H        VAL  50   6.973  -1.202  -9.223
  187    HA   VAL  50           HA       VAL  50   7.376  -2.606 -11.738
  188    HB   VAL  50           HB       VAL  50   9.046  -3.935 -10.428
  189   1HG1  VAL  50          2HG1      VAL  50   9.715  -1.953 -11.689
  190   2HG1  VAL  50          1HG1      VAL  50   9.367  -0.938 -10.288
  191   3HG1  VAL  50          3HG1      VAL  50  10.670  -2.125 -10.217
  192   1HG2  VAL  50          3HG2      VAL  50   7.968  -3.704  -8.230
  193   2HG2  VAL  50          2HG2      VAL  50   9.659  -3.211  -8.196
  194   3HG2  VAL  50          1HG2      VAL  50   8.388  -1.992  -8.216
  195    H    GLU  51           H        GLU  51   7.787  -5.135 -11.149
  196    HA   GLU  51           HA       GLU  51   5.210  -6.112 -10.118
  197   1HB   GLU  51          2HB       GLU  51   5.700  -8.153 -11.485
  198   2HB   GLU  51          1HB       GLU  51   5.486  -6.689 -12.435
  199   1HG   GLU  51          2HG       GLU  51   7.926  -6.468 -12.609
  200   2HG   GLU  51          1HG       GLU  51   8.110  -7.970 -11.707
  201    H    GLU  52           H        GLU  52   5.805  -8.766  -9.652
  202    HA   GLU  52           HA       GLU  52   7.340  -8.536  -7.227
  203   1HB   GLU  52          2HB       GLU  52   6.017 -10.908  -8.554
  204   2HB   GLU  52          1HB       GLU  52   6.845 -10.992  -7.006
  205   1HG   GLU  52          2HG       GLU  52   4.536 -10.810  -6.548
  206   2HG   GLU  52          1HG       GLU  52   5.257  -9.247  -6.168
  207    H    THR  53           H        THR  53   9.278  -7.846  -8.458
  208    HA   THR  53           HA       THR  53  11.017 -10.145  -8.905
  209    HB   THR  53           HB       THR  53  12.011  -9.143 -10.921
  210    HG1  THR  53           HG1      THR  53  11.222  -7.295 -11.784
  211   1HG2  THR  53          2HG2      THR  53   9.030  -9.571 -11.134
  212   2HG2  THR  53          1HG2      THR  53  10.165  -9.603 -12.484
  213   3HG2  THR  53          3HG2      THR  53  10.270 -10.822 -11.213
  214    H    ASP  54           H        ASP  54  10.812  -6.621  -8.888
  215    HA   ASP  54           HA       ASP  54  13.451  -6.021  -8.241
  216   1HB   ASP  54          2HB       ASP  54  11.114  -4.613  -8.718
  217   2HB   ASP  54          1HB       ASP  54  11.497  -4.199  -7.058
  218    HA   PRO  55           HA       PRO  55  13.932  -7.064  -3.965
  219   1HB   PRO  55          2HB       PRO  55  15.406  -4.540  -3.577
  220   2HB   PRO  55          1HB       PRO  55  15.965  -6.204  -3.393
  221   1HG   PRO  55          2HG       PRO  55  16.767  -4.675  -5.443
  222   2HG   PRO  55          1HG       PRO  55  16.487  -6.416  -5.635
  223   1HD   PRO  55          2HD       PRO  55  14.739  -4.115  -6.422
  224   2HD   PRO  55          1HD       PRO  55  15.088  -5.617  -7.304
  225    H    LEU  56           H        LEU  56  12.218  -4.400  -5.037
  226    HA   LEU  56           HA       LEU  56  11.718  -2.838  -2.816
  227   1HB   LEU  56          2HB       LEU  56  10.857  -2.270  -5.005
  228   2HB   LEU  56          1HB       LEU  56   9.831  -3.692  -5.012
  229    HG   LEU  56           HG       LEU  56   8.598  -2.709  -3.050
  230   1HD1  LEU  56          3HD1      LEU  56  10.199  -0.261  -3.776
  231   2HD1  LEU  56          2HD1      LEU  56   8.830  -0.303  -2.665
  232   3HD1  LEU  56          1HD1      LEU  56  10.313  -1.174  -2.273
  233   1HD2  LEU  56          1HD2      LEU  56   7.713  -2.600  -5.317
  234   2HD2  LEU  56          3HD2      LEU  56   7.318  -1.137  -4.415
  235   3HD2  LEU  56          2HD2      LEU  56   8.615  -1.113  -5.610
  236    H    CYS  57           H        CYS  57  10.243  -5.903  -3.754
  237    HA   CYS  57           HA       CYS  57   8.287  -6.054  -1.765
  238   1HB   CYS  57          2HB       CYS  57   8.328  -8.489  -2.163
  239   2HB   CYS  57          1HB       CYS  57   8.320  -7.577  -3.669
  240    HG   CYS  57           HG       CYS  57  10.122  -9.211  -4.556
  241    H    GLN  58           H        GLN  58  11.714  -6.802  -1.689
  242    HA   GLN  58           HA       GLN  58  11.698  -8.136   0.823
  243   1HB   GLN  58          2HB       GLN  58  13.530  -8.412  -0.786
  244   2HB   GLN  58          1HB       GLN  58  13.957  -6.716  -0.602
  245   1HG   GLN  58          2HG       GLN  58  14.472  -7.123   1.767
  246   2HG   GLN  58          1HG       GLN  58  14.100  -8.831   1.536
  247   1HE2  GLN  58          1HE2      GLN  58  15.269  -8.890  -1.137
  248   2HE2  GLN  58          2HE2      GLN  58  16.981  -8.869  -0.913
  249    H    ARG  59           H        ARG  59  12.009  -4.785  -0.172
  250    HA   ARG  59           HA       ARG  59  12.866  -3.761   2.328
  251   1HB   ARG  59          2HB       ARG  59  11.441  -2.431   0.018
  252   2HB   ARG  59          1HB       ARG  59  12.069  -1.565   1.413
  253   1HG   ARG  59          2HG       ARG  59  13.723  -3.219  -0.484
  254   2HG   ARG  59          1HG       ARG  59  13.570  -1.461  -0.528
  255   1HD   ARG  59          2HD       ARG  59  14.552  -1.295   1.686
  256   2HD   ARG  59          1HD       ARG  59  14.630  -3.052   1.807
  257    HE   ARG  59           HE       ARG  59  16.032  -2.162  -0.482
  258   1HH1  ARG  59          1HH1      ARG  59  16.265  -2.280   2.994
  259   2HH1  ARG  59          2HH1      ARG  59  17.997  -2.295   3.005
  260   1HH2  ARG  59          1HH2      ARG  59  18.315  -2.182  -0.474
  261   2HH2  ARG  59          2HH2      ARG  59  19.161  -2.239   1.037
  262    H    LEU  60           H        LEU  60   9.663  -3.856   0.780
  263    HA   LEU  60           HA       LEU  60   8.216  -2.759   2.906
  264   1HB   LEU  60          2HB       LEU  60   7.298  -4.799   0.875
  265   2HB   LEU  60          1HB       LEU  60   6.249  -3.812   1.874
  266    HG   LEU  60           HG       LEU  60   8.151  -2.718  -0.199
  267   1HD1  LEU  60          2HD1      LEU  60   6.374  -4.033  -1.236
  268   2HD1  LEU  60          1HD1      LEU  60   5.165  -3.117  -0.335
  269   3HD1  LEU  60          3HD1      LEU  60   6.160  -2.310  -1.547
  270   1HD2  LEU  60          2HD2      LEU  60   5.953  -1.411   1.401
  271   2HD2  LEU  60          1HD2      LEU  60   7.686  -1.151   1.600
  272   3HD2  LEU  60          3HD2      LEU  60   6.884  -0.643   0.114
  273    H    ARG  61           H        ARG  61   9.217  -6.060   2.218
  274    HA   ARG  61           HA       ARG  61   7.748  -7.232   4.375
  275   1HB   ARG  61          2HB       ARG  61   8.437  -8.482   2.336
  276   2HB   ARG  61          1HB       ARG  61  10.111  -8.353   2.856
  277   1HG   ARG  61          2HG       ARG  61   9.653  -9.681   4.813
  278   2HG   ARG  61          1HG       ARG  61   7.934  -9.724   4.420
  279   1HD   ARG  61          2HD       ARG  61   8.463 -10.913   2.332
  280   2HD   ARG  61          1HD       ARG  61  10.170 -10.903   2.773
  281    HE   ARG  61           HE       ARG  61   9.062 -12.111   4.890
  282   1HH1  ARG  61          1HH1      ARG  61   8.661 -12.622   1.466
  283   2HH1  ARG  61          2HH1      ARG  61   8.339 -14.317   1.627
  284   1HH2  ARG  61          1HH2      ARG  61   8.637 -14.340   5.110
  285   2HH2  ARG  61          2HH2      ARG  61   8.324 -15.292   3.697
  286    H    GLU  62           H        GLU  62  10.847  -5.718   4.044
  287    HA   GLU  62           HA       GLU  62  12.252  -6.842   6.166
  288   1HB   GLU  62          2HB       GLU  62  13.257  -5.290   4.544
  289   2HB   GLU  62          1HB       GLU  62  12.311  -3.971   5.217
  290   1HG   GLU  62          2HG       GLU  62  13.469  -4.213   7.347
  291   2HG   GLU  62          1HG       GLU  62  14.409  -5.551   6.686
  292    H    ASN  63           H        ASN  63  10.104  -4.009   6.169
  293    HA   ASN  63           HA       ASN  63  10.036  -4.135   9.103
  294   1HB   ASN  63          2HB       ASN  63   9.071  -1.910   7.293
  295   2HB   ASN  63          1HB       ASN  63   9.183  -1.858   9.049
  296   1HD2  ASN  63          1HD2      ASN  63  10.424  -0.145   7.049
  297   2HD2  ASN  63          2HD2      ASN  63  12.125  -0.238   7.327
  298    H    ASP  64           H        ASP  64   8.570  -5.810   9.362
  299    HA   ASP  64           HA       ASP  64   6.192  -6.217   8.016
  300   1HB   ASP  64          2HB       ASP  64   5.438  -7.421  10.072
  301   2HB   ASP  64          1HB       ASP  64   7.044  -7.890   9.525
  302    H    ILE  65           H        ILE  65   4.681  -4.742   7.650
  303    HA   ILE  65           HA       ILE  65   3.558  -3.297   9.948
  304    HB   ILE  65           HB       ILE  65   4.221  -2.073   7.269
  305   1HG1  ILE  65          2HG1      ILE  65   6.126  -2.236   8.818
  306   2HG1  ILE  65          1HG1      ILE  65   5.649  -0.563   8.558
  307   1HG2  ILE  65          2HG2      ILE  65   2.697  -0.911   9.589
  308   2HG2  ILE  65          1HG2      ILE  65   3.275   0.009   8.200
  309   3HG2  ILE  65          3HG2      ILE  65   2.071  -1.260   7.978
  310   1HD1  ILE  65          1HD1      ILE  65   4.943  -2.237  10.957
  311   2HD1  ILE  65          3HD1      ILE  65   6.197  -0.999  10.888
  312   3HD1  ILE  65          2HD1      ILE  65   4.502  -0.549  10.701
  313    H    VAL  66           H        VAL  66   1.357  -3.025   9.916
  314    HA   VAL  66           HA       VAL  66  -0.084  -4.611   7.938
  315    HB   VAL  66           HB       VAL  66  -0.509  -4.927  10.373
  316   1HG1  VAL  66          1HG1      VAL  66  -0.291  -2.601  11.079
  317   2HG1  VAL  66          3HG1      VAL  66  -1.761  -2.191  10.194
  318   3HG1  VAL  66          2HG1      VAL  66  -1.841  -3.279  11.581
  319   1HG2  VAL  66          3HG2      VAL  66  -2.169  -5.553   8.658
  320   2HG2  VAL  66          2HG2      VAL  66  -2.909  -5.100  10.193
  321   3HG2  VAL  66          1HG2      VAL  66  -2.921  -3.968   8.840
  322    H    GLY  67           H        GLY  67  -2.181  -3.768   7.118
  323   1HA   GLY  67          1HA       GLY  67  -3.314  -2.244   5.831
  324   2HA   GLY  67          2HA       GLY  67  -1.810  -1.345   5.730
  325    H    ASP  68           H        ASP  68  -3.035  -1.957   8.880
  326    HA   ASP  68           HA       ASP  68  -4.662   0.397   9.073
  327   1HB   ASP  68          2HB       ASP  68  -5.047  -1.616  10.468
  328   2HB   ASP  68          1HB       ASP  68  -3.509  -1.327  11.277
  329    H    LEU  69           H        LEU  69  -1.365  -0.079   8.988
  330    HA   LEU  69           HA       LEU  69  -0.793   2.267  10.664
  331   1HB   LEU  69          2HB       LEU  69   0.774  -0.117   9.817
  332   2HB   LEU  69          1HB       LEU  69   1.644   1.373  10.116
  333    HG   LEU  69           HG       LEU  69   1.082   1.379  12.401
  334   1HD1  LEU  69          3HD1      LEU  69  -0.962  -0.737  11.762
  335   2HD1  LEU  69          2HD1      LEU  69  -0.510  -0.246  13.393
  336   3HD1  LEU  69          1HD1      LEU  69  -1.268   0.913  12.301
  337   1HD2  LEU  69          2HD2      LEU  69   2.778  -0.273  11.781
  338   2HD2  LEU  69          1HD2      LEU  69   1.854  -0.784  13.195
  339   3HD2  LEU  69          3HD2      LEU  69   1.519  -1.497  11.616
  340    H    LEU  70           H        LEU  70  -1.007   1.221   7.428
  341    HA   LEU  70           HA       LEU  70   0.912   2.722   6.116
  342   1HB   LEU  70          2HB       LEU  70  -1.889   2.037   5.231
  343   2HB   LEU  70          1HB       LEU  70  -0.661   2.713   4.179
  344    HG   LEU  70           HG       LEU  70  -0.404   0.065   5.606
  345   1HD1  LEU  70          2HD1      LEU  70  -1.117   0.661   2.737
  346   2HD1  LEU  70          1HD1      LEU  70  -0.803  -0.938   3.411
  347   3HD1  LEU  70          3HD1      LEU  70  -2.198  -0.008   3.959
  348   1HD2  LEU  70          3HD2      LEU  70   1.247   1.352   3.433
  349   2HD2  LEU  70          2HD2      LEU  70   1.737   1.115   5.111
  350   3HD2  LEU  70          1HD2      LEU  70   1.471  -0.279   4.065
  351    HA   PRO  71           HA       PRO  71  -2.120   6.468   5.935
  352   1HB   PRO  71          2HB       PRO  71  -4.197   6.548   7.655
  353   2HB   PRO  71          1HB       PRO  71  -4.314   5.770   6.072
  354   1HG   PRO  71          2HG       PRO  71  -3.852   4.531   8.761
  355   2HG   PRO  71          1HG       PRO  71  -4.937   4.005   7.460
  356   1HD   PRO  71          2HD       PRO  71  -2.509   2.880   7.885
  357   2HD   PRO  71          1HD       PRO  71  -3.233   3.012   6.270
  358    H    GLU  72           H        GLU  72  -0.862   4.971   8.693
  359    HA   GLU  72           HA       GLU  72  -0.895   7.412  10.298
  360   1HB   GLU  72          2HB       GLU  72   0.121   4.641  10.949
  361   2HB   GLU  72          1HB       GLU  72   0.094   5.996  12.068
  362   1HG   GLU  72          2HG       GLU  72  -2.372   6.084  11.819
  363   2HG   GLU  72          1HG       GLU  72  -2.280   4.626  10.830
  364    H    LEU  73           H        LEU  73   1.197   5.556   8.275
  365    HA   LEU  73           HA       LEU  73   3.616   6.798   9.284
  366   1HB   LEU  73          2HB       LEU  73   3.173   4.976   6.918
  367   2HB   LEU  73          1HB       LEU  73   4.739   5.510   7.500
  368    HG   LEU  73           HG       LEU  73   2.803   3.837   9.103
  369   1HD1  LEU  73          3HD1      LEU  73   5.296   3.028   7.613
  370   2HD1  LEU  73          2HD1      LEU  73   4.347   1.990   8.677
  371   3HD1  LEU  73          1HD1      LEU  73   3.641   2.600   7.180
  372   1HD2  LEU  73          3HD2      LEU  73   4.280   5.206  10.478
  373   2HD2  LEU  73          2HD2      LEU  73   4.713   3.501  10.591
  374   3HD2  LEU  73          1HD2      LEU  73   5.680   4.593   9.599
  375    H    CYS  74           H        CYS  74   4.818   8.349   8.266
  376    HA   CYS  74           HA       CYS  74   3.407   9.932   6.269
  377   1HB   CYS  74          2HB       CYS  74   5.934  10.501   7.834
  378   2HB   CYS  74          1HB       CYS  74   5.158  11.629   6.728
  379    HG   CYS  74           HG       CYS  74   4.475  10.983   9.904
  380    H    LEU  75           H        LEU  75   5.217  11.133   4.778
  381    HA   LEU  75           HA       LEU  75   5.942   9.216   2.864
  382   1HB   LEU  75          2HB       LEU  75   6.767  12.084   3.251
  383   2HB   LEU  75          1HB       LEU  75   7.324  11.125   1.893
  384    HG   LEU  75           HG       LEU  75   4.420  11.689   2.504
  385   1HD1  LEU  75          3HD1      LEU  75   5.624  13.729   1.894
  386   2HD1  LEU  75          2HD1      LEU  75   6.227  12.935   0.439
  387   3HD1  LEU  75          1HD1      LEU  75   4.499  13.234   0.630
  388   1HD2  LEU  75          3HD2      LEU  75   5.765  10.453   0.104
  389   2HD2  LEU  75          2HD2      LEU  75   4.758   9.614   1.283
  390   3HD2  LEU  75          1HD2      LEU  75   4.050  10.841   0.233
  391    H    GLN  76           H        GLN  76   7.544  10.238   5.713
  392    HA   GLN  76           HA       GLN  76  10.222   9.743   4.975
  393   1HB   GLN  76          2HB       GLN  76   8.894   9.542   7.686
  394   2HB   GLN  76          1HB       GLN  76  10.631   9.525   7.416
  395   1HG   GLN  76          2HG       GLN  76   8.753  11.791   6.789
  396   2HG   GLN  76          1HG       GLN  76   9.892  11.714   8.132
  397   1HE2  GLN  76          1HE2      GLN  76  11.950  10.429   6.496
  398   2HE2  GLN  76          2HE2      GLN  76  12.601  11.671   5.488
  399    H    ASP  77           H        ASP  77   7.945   7.692   6.803
  400    HA   ASP  77           HA       ASP  77   9.600   5.399   6.742
  401   1HB   ASP  77          2HB       ASP  77   6.603   5.594   7.128
  402   2HB   ASP  77          1HB       ASP  77   7.591   4.183   7.494
  403    H    CYS  78           H        CYS  78   7.298   6.750   4.528
  404    HA   CYS  78           HA       CYS  78   6.788   4.442   2.975
  405   1HB   CYS  78          2HB       CYS  78   6.672   7.382   2.279
  406   2HB   CYS  78          1HB       CYS  78   6.108   6.102   1.212
  407    HG   CYS  78           HG       CYS  78   4.196   5.187   3.141
  408    H    GLN  79           H        GLN  79   9.186   7.035   2.711
  409    HA   GLN  79           HA       GLN  79  10.358   6.141   0.304
  410   1HB   GLN  79          2HB       GLN  79  10.649   8.418   1.334
  411   2HB   GLN  79          1HB       GLN  79  11.723   7.682   2.516
  412   1HG   GLN  79          2HG       GLN  79  13.257   7.028   0.768
  413   2HG   GLN  79          1HG       GLN  79  12.158   7.652  -0.462
  414   1HE2  GLN  79          1HE2      GLN  79  11.939   9.872  -0.723
  415   2HE2  GLN  79          2HE2      GLN  79  13.079  10.993  -0.070
  416    H    ASP  80           H        ASP  80  10.997   5.446   3.699
  417    HA   ASP  80           HA       ASP  80  13.354   3.945   3.350
  418   1HB   ASP  80          2HB       ASP  80  12.573   4.798   5.542
  419   2HB   ASP  80          1HB       ASP  80  11.233   3.654   5.493
  420    H    LEU  81           H        LEU  81   9.974   3.185   3.059
  421    HA   LEU  81           HA       LEU  81  10.275   0.347   2.967
  422   1HB   LEU  81          2HB       LEU  81   8.120   2.317   2.708
  423   2HB   LEU  81          1HB       LEU  81   7.895   0.894   1.713
  424    HG   LEU  81           HG       LEU  81   7.756  -0.537   3.570
  425   1HD1  LEU  81          2HD1      LEU  81   8.941   1.708   5.193
  426   2HD1  LEU  81          1HD1      LEU  81   8.266   0.233   5.885
  427   3HD1  LEU  81          3HD1      LEU  81   9.672   0.145   4.824
  428   1HD2  LEU  81          3HD2      LEU  81   5.786   0.894   3.289
  429   2HD2  LEU  81          2HD2      LEU  81   6.033   0.445   4.977
  430   3HD2  LEU  81          1HD2      LEU  81   6.479   2.058   4.419
  431    H    CYS  82           H        CYS  82  10.922   2.826   0.773
  432    HA   CYS  82           HA       CYS  82  10.637   1.050  -1.548
  433   1HB   CYS  82          2HB       CYS  82  11.173   4.027  -1.446
  434   2HB   CYS  82          1HB       CYS  82  10.934   3.077  -2.909
  435    HG   CYS  82           HG       CYS  82   8.327   2.954  -2.850
  436    H    ASP  83           H        ASP  83  12.478   1.749  -3.271
  437    HA   ASP  83           HA       ASP  83  14.866   0.629  -2.278
  438   1HB   ASP  83          2HB       ASP  83  14.215   0.463  -4.638
  439   2HB   ASP  83          1HB       ASP  83  14.410   2.203  -4.823
  440    H    GLY  84           H        GLY  84  13.702   3.875  -2.400
  441   1HA   GLY  84          1HA       GLY  84  16.381   4.904  -1.727
  442   2HA   GLY  84          2HA       GLY  84  15.011   5.244  -0.680
  443    H    ASP  85           H        ASP  85  13.634   5.207  -3.584
  444    HA   ASP  85           HA       ASP  85  14.437   7.884  -4.420
  445   1HB   ASP  85          2HB       ASP  85  14.200   6.154  -6.146
  446   2HB   ASP  85          1HB       ASP  85  12.515   5.922  -5.690
  447    H    LEU  86           H        LEU  86  13.052   9.642  -4.487
  448    HA   LEU  86           HA       LEU  86  11.046   9.720  -2.466
  449   1HB   LEU  86          2HB       LEU  86  12.492  11.645  -3.074
  450   2HB   LEU  86          1HB       LEU  86  11.649  11.759  -4.607
  451    HG   LEU  86           HG       LEU  86   9.525  12.148  -3.302
  452   1HD1  LEU  86          1HD1      LEU  86  10.268  11.213  -1.173
  453   2HD1  LEU  86          3HD1      LEU  86  11.464  12.499  -1.020
  454   3HD1  LEU  86          2HD1      LEU  86   9.744  12.887  -0.990
  455   1HD2  LEU  86          3HD2      LEU  86  11.782  14.126  -2.995
  456   2HD2  LEU  86          2HD2      LEU  86  10.692  13.977  -4.374
  457   3HD2  LEU  86          1HD2      LEU  86  10.068  14.499  -2.811
  458    H    ASN  87           H        ASN  87  10.846  10.267  -5.987
  459    HA   ASN  87           HA       ASN  87   8.160  10.519  -6.331
  460   1HB   ASN  87          2HB       ASN  87  10.130   9.032  -8.072
  461   2HB   ASN  87          1HB       ASN  87   8.493   9.433  -8.576
  462   1HD2  ASN  87          1HD2      ASN  87   8.521  11.988  -7.151
  463   2HD2  ASN  87          2HD2      ASN  87   9.506  13.047  -8.096
  464    H    LYS  88           H        LYS  88   9.935   7.503  -5.904
  465    HA   LYS  88           HA       LYS  88   7.885   5.697  -6.453
  466   1HB   LYS  88          2HB       LYS  88  10.314   5.166  -6.106
  467   2HB   LYS  88          1HB       LYS  88  10.055   5.365  -4.381
  468   1HG   LYS  88          2HG       LYS  88  10.007   3.039  -4.868
  469   2HG   LYS  88          1HG       LYS  88   8.358   3.542  -4.497
  470   1HD   LYS  88          2HD       LYS  88   7.669   3.359  -6.704
  471   2HD   LYS  88          1HD       LYS  88   9.311   3.510  -7.334
  472   1HE   LYS  88          2HE       LYS  88   8.244   1.142  -5.800
  473   2HE   LYS  88          1HE       LYS  88   8.413   1.223  -7.552
  474   1HZ   LYS  88          3HZ       LYS  88  10.803   1.535  -7.253
  475   2HZ   LYS  88          2HZ       LYS  88  10.623   1.400  -5.577
  476   3HZ   LYS  88          1HZ       LYS  88  10.281   0.076  -6.573
  477    H    ALA  89           H        ALA  89   8.792   7.265  -3.399
  478    HA   ALA  89           HA       ALA  89   6.879   5.982  -1.784
  479   1HB   ALA  89          2HB       ALA  89   8.869   7.253  -0.962
  480   2HB   ALA  89          3HB       ALA  89   7.359   7.630  -0.129
  481   3HB   ALA  89          1HB       ALA  89   8.001   8.742  -1.340
  482    H    ILE  90           H        ILE  90   6.721   8.907  -3.768
  483    HA   ILE  90           HA       ILE  90   4.337   9.979  -2.866
  484    HB   ILE  90           HB       ILE  90   5.702   9.967  -5.527
  485   1HG1  ILE  90          2HG1      ILE  90   6.281  12.147  -5.042
  486   2HG1  ILE  90          1HG1      ILE  90   4.961  12.376  -3.907
  487   1HG2  ILE  90          3HG2      ILE  90   3.023  11.210  -4.932
  488   2HG2  ILE  90          2HG2      ILE  90   4.026  11.635  -6.319
  489   3HG2  ILE  90          1HG2      ILE  90   3.392   9.997  -6.158
  490   1HD1  ILE  90          2HD1      ILE  90   7.397  10.681  -3.451
  491   2HD1  ILE  90          1HD1      ILE  90   7.164  12.316  -2.837
  492   3HD1  ILE  90          3HD1      ILE  90   6.119  11.007  -2.283
  493    H    LYS  91           H        LYS  91   4.785   7.695  -5.581
  494    HA   LYS  91           HA       LYS  91   2.086   7.270  -6.136
  495   1HB   LYS  91          2HB       LYS  91   4.413   5.359  -6.433
  496   2HB   LYS  91          1HB       LYS  91   2.829   5.126  -7.159
  497   1HG   LYS  91          2HG       LYS  91   4.649   7.458  -7.723
  498   2HG   LYS  91          1HG       LYS  91   4.506   6.017  -8.731
  499   1HD   LYS  91          2HD       LYS  91   2.205   7.848  -8.056
  500   2HD   LYS  91          1HD       LYS  91   3.167   7.967  -9.530
  501   1HE   LYS  91          2HE       LYS  91   1.530   5.587  -8.656
  502   2HE   LYS  91          1HE       LYS  91   1.103   6.731  -9.928
  503   1HZ   LYS  91          2HZ       LYS  91   3.471   4.937  -9.943
  504   2HZ   LYS  91          1HZ       LYS  91   2.055   4.706 -10.838
  505   3HZ   LYS  91          3HZ       LYS  91   3.056   6.030 -11.165
  506    H    PHE  92           H        PHE  92   4.191   5.855  -3.733
  507    HA   PHE  92           HA       PHE  92   2.571   3.713  -2.912
  508   1HB   PHE  92          2HB       PHE  92   4.977   4.057  -2.322
  509   2HB   PHE  92          1HB       PHE  92   4.484   5.336  -1.221
  510    HD1  PHE  92           HD1      PHE  92   3.498   1.798  -1.914
  511    HD2  PHE  92           HD2      PHE  92   4.476   4.761   0.978
  512    HE1  PHE  92           HE1      PHE  92   3.229   0.130  -0.125
  513    HE2  PHE  92           HE2      PHE  92   4.203   3.099   2.776
  514    HZ   PHE  92           HZ       PHE  92   3.582   0.780   2.224
  515    H    LYS  93           H        LYS  93   3.015   6.848  -1.279
  516    HA   LYS  93           HA       LYS  93   0.912   6.558   0.534
  517   1HB   LYS  93          2HB       LYS  93   2.621   8.214   0.889
  518   2HB   LYS  93          1HB       LYS  93   2.208   9.034  -0.611
  519   1HG   LYS  93          2HG       LYS  93   0.049   9.672   0.321
  520   2HG   LYS  93          1HG       LYS  93   0.443   8.830   1.822
  521   1HD   LYS  93          2HD       LYS  93   2.201  10.351   2.312
  522   2HD   LYS  93          1HD       LYS  93   2.128  11.057   0.697
  523   1HE   LYS  93          2HE       LYS  93  -0.089  11.947   1.175
  524   2HE   LYS  93          1HE       LYS  93  -0.049  11.214   2.779
  525   1HZ   LYS  93          1HZ       LYS  93   1.845  13.286   1.806
  526   2HZ   LYS  93          3HZ       LYS  93   0.518  13.580   2.813
  527   3HZ   LYS  93          2HZ       LYS  93   1.801  12.624   3.363
  528    H    ILE  94           H        ILE  94   0.869   7.328  -2.827
  529    HA   ILE  94           HA       ILE  94  -1.617   8.716  -2.870
  530    HB   ILE  94           HB       ILE  94   0.048   7.406  -4.993
  531   1HG1  ILE  94          2HG1      ILE  94  -0.926  10.250  -4.650
  532   2HG1  ILE  94          1HG1      ILE  94   0.631   9.662  -4.079
  533   1HG2  ILE  94          1HG2      ILE  94  -2.685   8.621  -5.385
  534   2HG2  ILE  94          3HG2      ILE  94  -1.579   8.154  -6.677
  535   3HG2  ILE  94          2HG2      ILE  94  -2.255   6.925  -5.605
  536   1HD1  ILE  94          1HD1      ILE  94   1.254   9.130  -6.390
  537   2HD1  ILE  94          3HD1      ILE  94  -0.293   9.770  -6.941
  538   3HD1  ILE  94          2HD1      ILE  94   0.880  10.838  -6.171
  539    H    LEU  95           H        LEU  95  -0.897   5.500  -4.259
  540    HA   LEU  95           HA       LEU  95  -3.495   4.668  -4.610
  541   1HB   LEU  95          2HB       LEU  95  -1.178   2.910  -3.798
  542   2HB   LEU  95          1HB       LEU  95  -2.653   2.377  -4.581
  543    HG   LEU  95           HG       LEU  95  -0.520   4.138  -5.789
  544   1HD1  LEU  95          3HD1      LEU  95   0.020   1.728  -5.586
  545   2HD1  LEU  95          2HD1      LEU  95  -1.417   1.361  -6.543
  546   3HD1  LEU  95          1HD1      LEU  95  -0.094   2.284  -7.256
  547   1HD2  LEU  95          1HD2      LEU  95  -3.127   3.169  -6.959
  548   2HD2  LEU  95          3HD2      LEU  95  -2.702   4.840  -6.583
  549   3HD2  LEU  95          2HD2      LEU  95  -1.841   3.976  -7.858
  550    H    ILE  96           H        ILE  96  -1.600   4.724  -1.681
  551    HA   ILE  96           HA       ILE  96  -3.425   3.110  -0.185
  552    HB   ILE  96           HB       ILE  96  -1.217   4.932   0.774
  553   1HG1  ILE  96          2HG1      ILE  96  -1.164   1.926   0.626
  554   2HG1  ILE  96          1HG1      ILE  96  -0.689   2.918  -0.747
  555   1HG2  ILE  96          1HG2      ILE  96  -2.856   4.522   2.529
  556   2HG2  ILE  96          3HG2      ILE  96  -2.744   2.786   2.244
  557   3HG2  ILE  96          2HG2      ILE  96  -1.351   3.668   2.870
  558   1HD1  ILE  96          2HD1      ILE  96   1.002   4.005   0.705
  559   2HD1  ILE  96          1HD1      ILE  96   0.587   2.850   1.973
  560   3HD1  ILE  96          3HD1      ILE  96   1.266   2.281   0.447
  561    H    ASN  97           H        ASN  97  -2.900   6.569  -0.617
  562    HA   ASN  97           HA       ASN  97  -4.622   7.465   1.423
  563   1HB   ASN  97          2HB       ASN  97  -3.019   8.955   0.320
  564   2HB   ASN  97          1HB       ASN  97  -3.899   8.801  -1.197
  565   1HD2  ASN  97          1HD2      ASN  97  -5.429   9.048   1.939
  566   2HD2  ASN  97          2HD2      ASN  97  -6.117  10.613   1.693
  567    H    LYS  98           H        LYS  98  -5.184   6.862  -2.028
  568    HA   LYS  98           HA       LYS  98  -7.899   7.592  -2.055
  569   1HB   LYS  98          2HB       LYS  98  -6.199   5.860  -3.824
  570   2HB   LYS  98          1HB       LYS  98  -7.930   5.985  -4.099
  571   1HG   LYS  98          2HG       LYS  98  -6.833   7.537  -5.533
  572   2HG   LYS  98          1HG       LYS  98  -7.662   8.452  -4.273
  573   1HD   LYS  98          2HD       LYS  98  -5.555   8.699  -3.060
  574   2HD   LYS  98          1HD       LYS  98  -4.724   7.763  -4.304
  575   1HE   LYS  98          2HE       LYS  98  -6.129  10.399  -4.719
  576   2HE   LYS  98          1HE       LYS  98  -4.385  10.166  -4.611
  577   1HZ   LYS  98          3HZ       LYS  98  -6.151   8.998  -6.693
  578   2HZ   LYS  98          2HZ       LYS  98  -5.128  10.327  -6.907
  579   3HZ   LYS  98          1HZ       LYS  98  -4.473   8.799  -6.595
  580    H    MET  99           H        MET  99  -6.282   4.521  -1.404
  581    HA   MET  99           HA       MET  99  -8.569   2.895  -1.338
  582   1HB   MET  99          2HB       MET  99  -6.305   1.976  -1.417
  583   2HB   MET  99          1HB       MET  99  -5.976   2.605   0.192
  584   1HG   MET  99          2HG       MET  99  -6.459   0.207   0.206
  585   2HG   MET  99          1HG       MET  99  -7.623   1.131   1.153
  586   1HE   MET  99          3HE       MET  99  -7.399   0.798  -2.751
  587   2HE   MET  99          2HE       MET  99  -6.988  -0.827  -2.202
  588   3HE   MET  99          1HE       MET  99  -8.503  -0.542  -3.059
  589    H    ARG 100           H        ARG 100  -7.103   4.962   1.106
  590    HA   ARG 100           HA       ARG 100  -8.626   4.012   3.300
  591   1HB   ARG 100          2HB       ARG 100  -6.532   5.333   3.529
  592   2HB   ARG 100          1HB       ARG 100  -7.390   6.748   2.933
  593   1HG   ARG 100          2HG       ARG 100  -8.944   6.545   4.860
  594   2HG   ARG 100          1HG       ARG 100  -7.934   5.237   5.477
  595   1HD   ARG 100          2HD       ARG 100  -7.317   7.273   6.586
  596   2HD   ARG 100          1HD       ARG 100  -6.010   6.803   5.500
  597    HE   ARG 100           HE       ARG 100  -7.712   8.565   4.142
  598   1HH1  ARG 100          1HH1      ARG 100  -5.447   8.563   6.791
  599   2HH1  ARG 100          2HH1      ARG 100  -5.018  10.229   6.593
  600   1HH2  ARG 100          1HH2      ARG 100  -7.153  10.759   3.876
  601   2HH2  ARG 100          2HH2      ARG 100  -5.988  11.478   4.936
  602    H    ASP 101           H        ASP 101  -8.985   6.912   1.261
  603    HA   ASP 101           HA       ASP 101 -11.398   7.787   2.406
  604   1HB   ASP 101          2HB       ASP 101 -10.286   8.267  -0.366
  605   2HB   ASP 101          1HB       ASP 101 -11.637   9.147   0.340
  606    H    SER 102           H        SER 102 -10.706   5.260   0.186
  607    HA   SER 102           HA       SER 102 -13.205   5.094  -1.125
  608   1HB   SER 102          2HB       SER 102 -11.121   3.971  -1.912
  609   2HB   SER 102          1HB       SER 102 -11.253   2.850  -0.558
  610    HG   SER 102           HG       SER 102 -12.690   1.771  -1.638
  611    H    LYS 103           H        LYS 103 -14.357   2.755  -0.842
  612    HA   LYS 103           HA       LYS 103 -15.837   1.553   0.386
  613   1HB   LYS 103          2HB       LYS 103 -13.805   2.052   2.565
  614   2HB   LYS 103          1HB       LYS 103 -15.151   0.930   2.695
  615   1HG   LYS 103          2HG       LYS 103 -14.256  -0.438   0.937
  616   2HG   LYS 103          1HG       LYS 103 -12.979   0.738   0.622
  617   1HD   LYS 103          2HD       LYS 103 -12.082  -1.092   1.916
  618   2HD   LYS 103          1HD       LYS 103 -12.121   0.365   2.911
  619   1HE   LYS 103          2HE       LYS 103 -14.244  -0.430   3.910
  620   2HE   LYS 103          1HE       LYS 103 -14.092  -1.918   2.978
  621   1HZ   LYS 103          1HZ       LYS 103 -12.001  -2.366   4.119
  622   2HZ   LYS 103          3HZ       LYS 103 -12.175  -0.949   5.031
  623   3HZ   LYS 103          2HZ       LYS 103 -13.276  -2.219   5.220
  624    H    LEU 104           H        LEU 104 -17.426   3.204   0.157
  625    HA   LEU 104           HA       LEU 104 -17.801   4.929   2.503
  626   1HB   LEU 104          2HB       LEU 104 -18.935   5.034  -0.288
  627   2HB   LEU 104          1HB       LEU 104 -19.566   6.015   1.020
  628    HG   LEU 104           HG       LEU 104 -17.245   6.985   1.277
  629   1HD1  LEU 104          3HD1      LEU 104 -16.828   5.581  -1.358
  630   2HD1  LEU 104          2HD1      LEU 104 -15.753   6.794  -0.662
  631   3HD1  LEU 104          1HD1      LEU 104 -15.984   5.247   0.154
  632   1HD2  LEU 104          2HD2      LEU 104 -19.054   8.187   0.167
  633   2HD2  LEU 104          1HD2      LEU 104 -17.506   8.507  -0.616
  634   3HD2  LEU 104          3HD2      LEU 104 -18.657   7.394  -1.357
  635    H    GLU 105           H        GLU 105 -20.030   3.348   0.225
  636    HA   GLU 105           HA       GLU 105 -21.181   1.598   2.107
  637   1HB   GLU 105          2HB       GLU 105 -22.021   3.708   3.083
  638   2HB   GLU 105          1HB       GLU 105 -22.798   4.093   1.553
  639   1HG   GLU 105          2HG       GLU 105 -24.247   2.168   1.768
  640   2HG   GLU 105          1HG       GLU 105 -23.427   1.691   3.254
  641    H    TRP 106           H        TRP 106 -20.959   0.209   0.346
  642    HA   TRP 106           HA       TRP 106 -23.009   0.558  -1.735
  643   1HB   TRP 106          2HB       TRP 106 -20.205  -0.512  -2.136
  644   2HB   TRP 106          1HB       TRP 106 -21.469  -0.505  -3.360
  645    HD1  TRP 106           HD1      TRP 106 -22.557   2.407  -3.153
  646    HE1  TRP 106           HE1      TRP 106 -21.084   4.413  -3.811
  647    HE3  TRP 106           HE3      TRP 106 -17.955   0.228  -2.680
  648    HZ2  TRP 106           HZ2      TRP 106 -18.335   4.994  -4.094
  649    HZ3  TRP 106           HZ3      TRP 106 -15.955   1.577  -3.165
  650    HH2  TRP 106           HH2      TRP 106 -16.144   3.910  -3.858
  651    H    LYS 107           H        LYS 107 -22.539  -1.043   0.876
  652    HA   LYS 107           HA       LYS 107 -23.457  -3.610  -0.232
  653   1HB   LYS 107          2HB       LYS 107 -21.093  -3.767   0.548
  654   2HB   LYS 107          1HB       LYS 107 -21.626  -3.303   2.155
  655   1HG   LYS 107          2HG       LYS 107 -21.339  -5.676   2.086
  656   2HG   LYS 107          1HG       LYS 107 -23.060  -5.316   2.219
  657   1HD   LYS 107          2HD       LYS 107 -22.862  -7.049   0.615
  658   2HD   LYS 107          1HD       LYS 107 -23.182  -5.571  -0.293
  659   1HE   LYS 107          2HE       LYS 107 -20.375  -6.500   0.194
  660   2HE   LYS 107          1HE       LYS 107 -21.334  -7.179  -1.120
  661   1HZ   LYS 107          1HZ       LYS 107 -21.670  -4.879  -1.928
  662   2HZ   LYS 107          3HZ       LYS 107 -20.591  -4.330  -0.744
  663   3HZ   LYS 107          2HZ       LYS 107 -20.052  -5.371  -1.961
  664    H    ASP 108           H        ASP 108 -25.601  -3.313   0.217
  665    HA   ASP 108           HA       ASP 108 -26.315  -3.293   3.053
  666   1HB   ASP 108          2HB       ASP 108 -28.228  -1.724   2.510
  667   2HB   ASP 108          1HB       ASP 108 -26.623  -1.000   2.492

  No H/Q in entry =         667
  Start of MODEL   20
    1    H1   GLY  24          2H        GLY  24 -11.701  -4.624 -10.404
    2    H2   GLY  24          1H        GLY  24 -13.170  -4.206  -9.676
    3    H3   GLY  24          3H        GLY  24 -11.709  -3.879  -8.886
    4   1HA   GLY  24          2HA       GLY  24 -12.785  -5.798  -7.902
    5   2HA   GLY  24          1HA       GLY  24 -11.256  -6.230  -8.650
    6    H    SER  25           H        SER  25 -11.240  -7.852 -10.073
    7    HA   SER  25           HA       SER  25 -13.745  -9.166 -10.697
    8   1HB   SER  25          2HB       SER  25 -13.305  -9.232 -13.130
    9   2HB   SER  25          1HB       SER  25 -13.560  -7.585 -12.554
   10    HG   SER  25           HG       SER  25 -11.642  -7.120 -13.245
   11    H    HIS  26           H        HIS  26 -10.284  -9.073 -10.584
   12    HA   HIS  26           HA       HIS  26 -10.098 -11.930 -11.204
   13   1HB   HIS  26          2HB       HIS  26  -7.895  -9.903 -10.765
   14   2HB   HIS  26          1HB       HIS  26  -7.675 -11.570 -11.287
   15    HD1  HIS  26           HD1      HIS  26  -8.863 -12.132 -13.686
   16    HD2  HIS  26           HD2      HIS  26  -8.170  -8.131 -12.802
   17    HE1  HIS  26           HE1      HIS  26  -8.990 -10.925 -15.888
   18    HE2  HIS  26           HE2      HIS  26  -8.515  -8.512 -15.337
   19    H    MET  27           H        MET  27  -9.221  -9.598  -8.676
   20    HA   MET  27           HA       MET  27  -9.663 -11.570  -6.632
   21   1HB   MET  27          2HB       MET  27  -7.344 -12.079  -7.375
   22   2HB   MET  27          1HB       MET  27  -6.880 -10.437  -6.953
   23   1HG   MET  27          2HG       MET  27  -7.441 -10.861  -4.624
   24   2HG   MET  27          1HG       MET  27  -7.944 -12.500  -5.037
   25   1HE   MET  27          3HE       MET  27  -5.758 -13.329  -7.187
   26   2HE   MET  27          2HE       MET  27  -4.565 -14.127  -6.161
   27   3HE   MET  27          1HE       MET  27  -6.286 -14.391  -5.882
   28    H    ASN  28           H        ASN  28 -11.069 -10.255  -5.603
   29    HA   ASN  28           HA       ASN  28 -10.612  -7.469  -5.201
   30   1HB   ASN  28          2HB       ASN  28 -12.626  -7.557  -3.795
   31   2HB   ASN  28          1HB       ASN  28 -12.881  -8.384  -5.328
   32   1HD2  ASN  28          1HD2      ASN  28 -14.281  -8.684  -2.797
   33   2HD2  ASN  28          2HD2      ASN  28 -14.127 -10.347  -2.355
   34    H    ASN  29           H        ASN  29 -11.047  -6.723  -2.759
   35    HA   ASN  29           HA       ASN  29  -8.663  -7.448  -1.345
   36   1HB   ASN  29          2HB       ASN  29 -10.953  -5.691  -0.434
   37   2HB   ASN  29          1HB       ASN  29  -9.333  -5.742   0.255
   38   1HD2  ASN  29          1HD2      ASN  29  -8.011  -5.964  -2.311
   39   2HD2  ASN  29          2HD2      ASN  29  -8.117  -4.406  -3.052
   40    H    GLU  30           H        GLU  30  -9.229  -7.463   1.276
   41    HA   GLU  30           HA       GLU  30 -11.192  -9.603   1.699
   42   1HB   GLU  30          2HB       GLU  30  -8.354  -9.600   2.742
   43   2HB   GLU  30          1HB       GLU  30  -9.593 -10.764   3.191
   44   1HG   GLU  30          2HG       GLU  30  -9.716 -11.558   0.907
   45   2HG   GLU  30          1HG       GLU  30  -8.537 -10.348   0.404
   46    H    ASP  31           H        ASP  31  -8.794  -8.163   3.870
   47    HA   ASP  31           HA       ASP  31 -10.905  -6.711   5.274
   48   1HB   ASP  31          2HB       ASP  31  -9.064  -8.723   6.584
   49   2HB   ASP  31          1HB       ASP  31 -10.072  -7.579   7.467
   50    H    PHE  32           H        PHE  32  -9.934  -4.825   4.506
   51    HA   PHE  32           HA       PHE  32  -7.288  -4.113   4.507
   52   1HB   PHE  32          2HB       PHE  32  -9.001  -2.735   3.486
   53   2HB   PHE  32          1HB       PHE  32  -9.707  -2.384   5.060
   54    HD1  PHE  32           HD1      PHE  32  -8.899  -0.630   6.392
   55    HD2  PHE  32           HD2      PHE  32  -6.735  -1.850   2.941
   56    HE1  PHE  32           HE1      PHE  32  -7.468   1.364   6.592
   57    HE2  PHE  32           HE2      PHE  32  -5.298   0.140   3.133
   58    HZ   PHE  32           HZ       PHE  32  -5.663   1.750   4.960
   59    H    SER  33           H        SER  33  -9.446  -4.343   7.232
   60    HA   SER  33           HA       SER  33  -7.674  -2.889   9.001
   61   1HB   SER  33          2HB       SER  33 -10.207  -4.442   9.573
   62   2HB   SER  33          1HB       SER  33  -9.339  -3.449  10.743
   63    HG   SER  33           HG       SER  33 -10.722  -2.015   9.985
   64    H    GLN  34           H        GLN  34  -8.277  -6.180   8.088
   65    HA   GLN  34           HA       GLN  34  -6.400  -7.076  10.177
   66   1HB   GLN  34          2HB       GLN  34  -8.822  -7.896  10.289
   67   2HB   GLN  34          1HB       GLN  34  -8.457  -8.835   8.848
   68   1HG   GLN  34          2HG       GLN  34  -6.749 -10.060  10.031
   69   2HG   GLN  34          1HG       GLN  34  -6.980  -9.056  11.463
   70   1HE2  GLN  34          1HE2      GLN  34  -8.290 -11.605   9.503
   71   2HE2  GLN  34          2HE2      GLN  34  -9.487 -12.135  10.630
   72    H    TRP  35           H        TRP  35  -5.742  -6.072   7.504
   73    HA   TRP  35           HA       TRP  35  -5.067  -8.325   5.862
   74   1HB   TRP  35          2HB       TRP  35  -4.778  -5.398   5.709
   75   2HB   TRP  35          1HB       TRP  35  -3.478  -6.298   4.936
   76    HD1  TRP  35           HD1      TRP  35  -6.744  -8.099   4.692
   77    HE1  TRP  35           HE1      TRP  35  -7.721  -7.832   2.329
   78    HE3  TRP  35           HE3      TRP  35  -3.631  -4.444   2.929
   79    HZ2  TRP  35           HZ2      TRP  35  -7.238  -6.290   0.020
   80    HZ3  TRP  35           HZ3      TRP  35  -3.954  -3.630   0.630
   81    HH2  TRP  35           HH2      TRP  35  -5.720  -4.535  -0.794
   82    H    SER  36           H        SER  36  -2.899  -8.951   5.275
   83    HA   SER  36           HA       SER  36  -1.031  -8.690   7.536
   84   1HB   SER  36          2HB       SER  36  -0.096 -10.850   6.842
   85   2HB   SER  36          1HB       SER  36  -1.829 -10.988   7.141
   86    HG   SER  36           HG       SER  36  -0.430 -11.408   4.853
   87    H    VAL  37           H        VAL  37   1.326  -9.247   6.694
   88    HA   VAL  37           HA       VAL  37   2.156  -7.061   5.150
   89    HB   VAL  37           HB       VAL  37   3.687  -9.609   5.693
   90   1HG1  VAL  37          1HG1      VAL  37   4.669  -8.273   3.907
   91   2HG1  VAL  37          3HG1      VAL  37   4.657  -6.852   4.951
   92   3HG1  VAL  37          2HG1      VAL  37   5.677  -8.234   5.352
   93   1HG2  VAL  37          1HG2      VAL  37   2.893  -8.575   7.757
   94   2HG2  VAL  37          3HG2      VAL  37   4.642  -8.405   7.597
   95   3HG2  VAL  37          2HG2      VAL  37   3.589  -7.032   7.260
   96    H    ASP  38           H        ASP  38   1.642 -10.452   4.288
   97    HA   ASP  38           HA       ASP  38   2.721 -10.410   1.715
   98   1HB   ASP  38          2HB       ASP  38   0.378 -12.034   2.726
   99   2HB   ASP  38          1HB       ASP  38   1.320 -12.382   1.280
  100    H    ASP  39           H        ASP  39  -0.553  -9.619   2.821
  101    HA   ASP  39           HA       ASP  39  -1.627  -9.226   0.224
  102   1HB   ASP  39          2HB       ASP  39  -2.554  -8.219   2.918
  103   2HB   ASP  39          1HB       ASP  39  -3.483  -8.071   1.429
  104    H    VAL  40           H        VAL  40  -0.205  -7.029   2.610
  105    HA   VAL  40           HA       VAL  40  -0.793  -4.633   1.246
  106    HB   VAL  40           HB       VAL  40   1.446  -5.229   3.187
  107   1HG1  VAL  40          3HG1      VAL  40   0.376  -2.580   2.216
  108   2HG1  VAL  40          2HG1      VAL  40   1.533  -2.795   3.530
  109   3HG1  VAL  40          1HG1      VAL  40   1.973  -3.250   1.884
  110   1HG2  VAL  40          2HG2      VAL  40  -0.806  -5.590   4.091
  111   2HG2  VAL  40          1HG2      VAL  40  -0.012  -4.209   4.847
  112   3HG2  VAL  40          3HG2      VAL  40  -1.253  -3.951   3.620
  113    H    ILE  41           H        ILE  41   1.961  -6.842   1.059
  114    HA   ILE  41           HA       ILE  41   3.544  -5.169  -0.616
  115    HB   ILE  41           HB       ILE  41   3.672  -8.152  -0.168
  116   1HG1  ILE  41          2HG1      ILE  41   5.420  -5.947   0.935
  117   2HG1  ILE  41          1HG1      ILE  41   4.079  -6.669   1.816
  118   1HG2  ILE  41          1HG2      ILE  41   5.630  -6.311  -1.538
  119   2HG2  ILE  41          3HG2      ILE  41   5.948  -7.990  -1.108
  120   3HG2  ILE  41          2HG2      ILE  41   4.697  -7.606  -2.289
  121   1HD1  ILE  41          3HD1      ILE  41   5.199  -8.845   1.705
  122   2HD1  ILE  41          2HD1      ILE  41   6.553  -8.090   0.862
  123   3HD1  ILE  41          1HD1      ILE  41   6.179  -7.628   2.523
  124    H    THR  42           H        THR  42   1.650  -8.111  -1.314
  125    HA   THR  42           HA       THR  42   2.028  -8.229  -4.044
  126    HB   THR  42           HB       THR  42  -0.555  -8.902  -2.619
  127    HG1  THR  42           HG1      THR  42   0.543 -10.475  -1.743
  128   1HG2  THR  42          3HG2      THR  42  -0.708  -8.881  -5.081
  129   2HG2  THR  42          2HG2      THR  42   0.645 -10.008  -5.162
  130   3HG2  THR  42          1HG2      THR  42  -0.875 -10.509  -4.421
  131    H    TRP  43           H        TRP  43  -0.714  -6.642  -2.380
  132    HA   TRP  43           HA       TRP  43  -1.909  -5.568  -4.657
  133   1HB   TRP  43          2HB       TRP  43  -3.068  -5.595  -2.525
  134   2HB   TRP  43          1HB       TRP  43  -1.881  -4.496  -1.828
  135    HD1  TRP  43           HD1      TRP  43  -4.738  -4.530  -4.415
  136    HE1  TRP  43           HE1      TRP  43  -5.604  -2.123  -4.694
  137    HE3  TRP  43           HE3      TRP  43  -1.302  -2.092  -1.519
  138    HZ2  TRP  43           HZ2      TRP  43  -4.917   0.467  -3.811
  139    HZ3  TRP  43           HZ3      TRP  43  -1.476   0.353  -1.290
  140    HH2  TRP  43           HH2      TRP  43  -3.247   1.604  -2.412
  141    H    CYS  44           H        CYS  44   0.632  -4.252  -2.583
  142    HA   CYS  44           HA       CYS  44   0.795  -1.692  -3.667
  143   1HB   CYS  44          2HB       CYS  44   1.981  -2.297  -1.634
  144   2HB   CYS  44          1HB       CYS  44   2.988  -3.434  -2.523
  145    HG   CYS  44           HG       CYS  44   4.788  -1.756  -3.306
  146    H    ILE  45           H        ILE  45   3.118  -4.296  -4.365
  147    HA   ILE  45           HA       ILE  45   4.270  -3.159  -6.613
  148    HB   ILE  45           HB       ILE  45   3.890  -6.123  -6.173
  149   1HG1  ILE  45          2HG1      ILE  45   6.154  -4.390  -5.166
  150   2HG1  ILE  45          1HG1      ILE  45   4.792  -4.890  -4.168
  151   1HG2  ILE  45          1HG2      ILE  45   4.754  -5.528  -8.373
  152   2HG2  ILE  45          3HG2      ILE  45   6.030  -4.569  -7.625
  153   3HG2  ILE  45          2HG2      ILE  45   5.997  -6.318  -7.404
  154   1HD1  ILE  45          3HD1      ILE  45   5.407  -7.232  -4.527
  155   2HD1  ILE  45          2HD1      ILE  45   6.791  -6.710  -5.489
  156   3HD1  ILE  45          1HD1      ILE  45   6.708  -6.309  -3.773
  157    H    SER  46           H        SER  46   1.215  -4.747  -6.292
  158    HA   SER  46           HA       SER  46   0.836  -5.580  -8.957
  159   1HB   SER  46          2HB       SER  46  -0.557  -6.413  -7.129
  160   2HB   SER  46          1HB       SER  46  -1.219  -4.798  -6.878
  161    HG   SER  46           HG       SER  46  -1.525  -6.441  -9.170
  162    H    THR  47           H        THR  47   0.990  -2.450  -7.665
  163    HA   THR  47           HA       THR  47   0.303  -1.284 -10.189
  164    HB   THR  47           HB       THR  47  -1.957  -1.589  -9.343
  165    HG1  THR  47           HG1      THR  47  -2.391   0.310 -10.149
  166   1HG2  THR  47          2HG2      THR  47  -1.051   0.037  -6.966
  167   2HG2  THR  47          1HG2      THR  47  -2.709  -0.463  -7.295
  168   3HG2  THR  47          3HG2      THR  47  -1.474  -1.675  -6.953
  169    H    LEU  48           H        LEU  48   2.382  -1.303  -7.901
  170    HA   LEU  48           HA       LEU  48   2.405   1.467  -7.065
  171   1HB   LEU  48          2HB       LEU  48   3.289  -0.646  -5.798
  172   2HB   LEU  48          1HB       LEU  48   4.733  -0.391  -6.753
  173    HG   LEU  48           HG       LEU  48   4.918   0.583  -4.508
  174   1HD1  LEU  48          1HD1      LEU  48   6.171   1.580  -6.352
  175   2HD1  LEU  48          3HD1      LEU  48   4.821   2.666  -6.682
  176   3HD1  LEU  48          2HD1      LEU  48   5.700   2.790  -5.158
  177   1HD2  LEU  48          3HD2      LEU  48   2.535   1.106  -4.198
  178   2HD2  LEU  48          2HD2      LEU  48   3.581   2.482  -3.847
  179   3HD2  LEU  48          1HD2      LEU  48   2.688   2.418  -5.368
  180    H    GLU  49           H        GLU  49   4.957  -0.475  -8.626
  181    HA   GLU  49           HA       GLU  49   5.327   1.651 -10.593
  182   1HB   GLU  49          2HB       GLU  49   6.838   2.204  -8.739
  183   2HB   GLU  49          1HB       GLU  49   7.564   0.607  -8.851
  184   1HG   GLU  49          2HG       GLU  49   8.993   2.211  -9.915
  185   2HG   GLU  49          1HG       GLU  49   8.313   1.137 -11.137
  186    H    VAL  50           H        VAL  50   6.928  -1.338  -9.498
  187    HA   VAL  50           HA       VAL  50   6.951  -2.245 -12.303
  188    HB   VAL  50           HB       VAL  50   8.938  -3.566 -11.755
  189   1HG1  VAL  50          3HG1      VAL  50   9.207  -1.270 -12.577
  190   2HG1  VAL  50          2HG1      VAL  50   9.220  -0.682 -10.914
  191   3HG1  VAL  50          1HG1      VAL  50  10.517  -1.731 -11.489
  192   1HG2  VAL  50          3HG2      VAL  50   8.449  -3.990  -9.397
  193   2HG2  VAL  50          2HG2      VAL  50  10.062  -3.309  -9.602
  194   3HG2  VAL  50          1HG2      VAL  50   8.741  -2.291  -9.028
  195    H    GLU  51           H        GLU  51   7.691  -4.856 -11.911
  196    HA   GLU  51           HA       GLU  51   5.238  -6.003 -10.788
  197   1HB   GLU  51          2HB       GLU  51   5.896  -8.026 -12.088
  198   2HB   GLU  51          1HB       GLU  51   5.657  -6.599 -13.089
  199   1HG   GLU  51          2HG       GLU  51   7.955  -6.317 -13.434
  200   2HG   GLU  51          1HG       GLU  51   8.374  -7.402 -12.109
  201    H    GLU  52           H        GLU  52   5.961  -8.574 -10.280
  202    HA   GLU  52           HA       GLU  52   7.377  -8.299  -7.801
  203   1HB   GLU  52          2HB       GLU  52   5.615 -10.211  -9.012
  204   2HB   GLU  52          1HB       GLU  52   7.050 -11.042  -8.429
  205   1HG   GLU  52          2HG       GLU  52   5.373  -9.186  -6.759
  206   2HG   GLU  52          1HG       GLU  52   5.190 -10.939  -6.793
  207    H    THR  53           H        THR  53   9.348  -7.497  -8.852
  208    HA   THR  53           HA       THR  53  11.202  -9.692  -9.300
  209    HB   THR  53           HB       THR  53  10.714  -9.060 -11.552
  210    HG1  THR  53           HG1      THR  53  12.779  -8.685 -12.167
  211   1HG2  THR  53          1HG2      THR  53   9.760  -6.862 -10.972
  212   2HG2  THR  53          3HG2      THR  53  11.392  -6.245 -10.749
  213   3HG2  THR  53          2HG2      THR  53  10.869  -6.794 -12.342
  214    H    ASP  54           H        ASP  54  10.663  -6.288  -8.740
  215    HA   ASP  54           HA       ASP  54  13.314  -5.670  -7.913
  216   1HB   ASP  54          2HB       ASP  54  11.822  -3.968  -8.823
  217   2HB   ASP  54          1HB       ASP  54  10.694  -4.215  -7.496
  218    HA   PRO  55           HA       PRO  55  13.374  -7.170  -3.742
  219   1HB   PRO  55          2HB       PRO  55  14.792  -4.651  -3.066
  220   2HB   PRO  55          1HB       PRO  55  15.289  -6.328  -2.817
  221   1HG   PRO  55          2HG       PRO  55  16.403  -4.854  -4.731
  222   2HG   PRO  55          1HG       PRO  55  16.039  -6.568  -4.999
  223   1HD   PRO  55          2HD       PRO  55  14.560  -4.144  -5.945
  224   2HD   PRO  55          1HD       PRO  55  14.897  -5.664  -6.800
  225    H    LEU  56           H        LEU  56  11.630  -4.493  -4.678
  226    HA   LEU  56           HA       LEU  56  10.976  -3.078  -2.421
  227   1HB   LEU  56          2HB       LEU  56  10.133  -2.633  -4.714
  228   2HB   LEU  56          1HB       LEU  56   9.034  -3.988  -4.546
  229    HG   LEU  56           HG       LEU  56   7.996  -2.790  -2.590
  230   1HD1  LEU  56          1HD1      LEU  56   9.853  -1.302  -2.069
  231   2HD1  LEU  56          3HD1      LEU  56   9.655  -0.496  -3.625
  232   3HD1  LEU  56          2HD1      LEU  56   8.385  -0.385  -2.407
  233   1HD2  LEU  56          2HD2      LEU  56   7.920  -1.415  -5.273
  234   2HD2  LEU  56          1HD2      LEU  56   6.955  -2.809  -4.788
  235   3HD2  LEU  56          3HD2      LEU  56   6.712  -1.252  -3.998
  236    H    CYS  57           H        CYS  57  10.048  -6.335  -3.260
  237    HA   CYS  57           HA       CYS  57   7.972  -6.573  -1.308
  238   1HB   CYS  57          2HB       CYS  57   7.922  -8.014  -3.240
  239   2HB   CYS  57          1HB       CYS  57   9.526  -8.641  -2.873
  240    HG   CYS  57           HG       CYS  57   7.183 -10.388  -2.348
  241    H    GLN  58           H        GLN  58  11.393  -7.452  -1.448
  242    HA   GLN  58           HA       GLN  58  11.517  -8.849   0.990
  243   1HB   GLN  58          2HB       GLN  58  13.271  -8.922  -0.760
  244   2HB   GLN  58          1HB       GLN  58  13.708  -7.264  -0.365
  245   1HG   GLN  58          2HG       GLN  58  14.296  -7.982   1.911
  246   2HG   GLN  58          1HG       GLN  58  13.912  -9.644   1.467
  247   1HE2  GLN  58          1HE2      GLN  58  14.999  -9.327  -1.231
  248   2HE2  GLN  58          2HE2      GLN  58  16.717  -9.341  -1.057
  249    H    ARG  59           H        ARG  59  11.929  -5.423   0.219
  250    HA   ARG  59           HA       ARG  59  12.790  -4.622   2.792
  251   1HB   ARG  59          2HB       ARG  59  13.019  -3.309   0.642
  252   2HB   ARG  59          1HB       ARG  59  11.314  -2.906   0.795
  253   1HG   ARG  59          2HG       ARG  59  12.593  -1.085   1.647
  254   2HG   ARG  59          1HG       ARG  59  11.816  -1.893   3.009
  255   1HD   ARG  59          2HD       ARG  59  13.932  -3.134   3.407
  256   2HD   ARG  59          1HD       ARG  59  14.686  -2.180   2.130
  257    HE   ARG  59           HE       ARG  59  13.471  -0.636   4.249
  258   1HH1  ARG  59          1HH1      ARG  59  16.367  -2.177   3.070
  259   2HH1  ARG  59          2HH1      ARG  59  17.430  -1.202   4.029
  260   1HH2  ARG  59          1HH2      ARG  59  14.865   0.648   5.517
  261   2HH2  ARG  59          2HH2      ARG  59  16.576   0.402   5.421
  262    H    LEU  60           H        LEU  60   9.613  -4.185   1.217
  263    HA   LEU  60           HA       LEU  60   8.206  -3.172   3.347
  264   1HB   LEU  60          2HB       LEU  60   7.237  -5.087   1.226
  265   2HB   LEU  60          1HB       LEU  60   6.186  -4.185   2.301
  266    HG   LEU  60           HG       LEU  60   8.094  -2.919   0.334
  267   1HD1  LEU  60          1HD1      LEU  60   5.119  -3.362   0.140
  268   2HD1  LEU  60          3HD1      LEU  60   6.090  -2.404  -0.978
  269   3HD1  LEU  60          2HD1      LEU  60   6.358  -4.143  -0.843
  270   1HD2  LEU  60          1HD2      LEU  60   5.870  -1.763   2.010
  271   2HD2  LEU  60          3HD2      LEU  60   7.597  -1.508   2.252
  272   3HD2  LEU  60          2HD2      LEU  60   6.809  -0.886   0.803
  273    H    ARG  61           H        ARG  61   8.961  -6.552   2.656
  274    HA   ARG  61           HA       ARG  61   7.346  -7.682   4.671
  275   1HB   ARG  61          2HB       ARG  61   8.323  -8.977   2.802
  276   2HB   ARG  61          1HB       ARG  61   9.918  -8.768   3.511
  277   1HG   ARG  61          2HG       ARG  61   9.202 -10.005   5.491
  278   2HG   ARG  61          1HG       ARG  61   7.601 -10.215   4.780
  279   1HD   ARG  61          2HD       ARG  61   8.620 -11.437   2.903
  280   2HD   ARG  61          1HD       ARG  61  10.201 -11.264   3.665
  281    HE   ARG  61           HE       ARG  61   8.199 -12.527   5.317
  282   1HH1  ARG  61          1HH1      ARG  61  10.722 -13.004   2.960
  283   2HH1  ARG  61          2HH1      ARG  61  10.999 -14.655   3.403
  284   1HH2  ARG  61          1HH2      ARG  61   8.559 -14.697   5.905
  285   2HH2  ARG  61          2HH2      ARG  61   9.769 -15.618   5.076
  286    H    GLU  62           H        GLU  62  10.702  -6.567   4.659
  287    HA   GLU  62           HA       GLU  62  11.461  -7.464   7.188
  288   1HB   GLU  62          2HB       GLU  62  13.075  -6.569   5.604
  289   2HB   GLU  62          1HB       GLU  62  12.323  -4.982   5.690
  290   1HG   GLU  62          2HG       GLU  62  12.958  -4.829   8.057
  291   2HG   GLU  62          1HG       GLU  62  13.752  -6.398   7.929
  292    H    ASN  63           H        ASN  63   9.687  -4.589   6.210
  293    HA   ASN  63           HA       ASN  63   9.522  -3.692   8.984
  294   1HB   ASN  63          2HB       ASN  63   8.458  -2.391   6.466
  295   2HB   ASN  63          1HB       ASN  63   8.479  -1.671   8.072
  296   1HD2  ASN  63          1HD2      ASN  63  10.398  -2.646   5.340
  297   2HD2  ASN  63          2HD2      ASN  63  11.820  -1.764   5.770
  298    H    ASP  64           H        ASP  64   8.188  -5.274   9.862
  299    HA   ASP  64           HA       ASP  64   5.786  -6.206   8.808
  300   1HB   ASP  64          2HB       ASP  64   6.935  -7.230  10.738
  301   2HB   ASP  64          1HB       ASP  64   6.504  -5.838  11.726
  302    H    ILE  65           H        ILE  65   4.404  -4.720   7.978
  303    HA   ILE  65           HA       ILE  65   3.218  -2.808   9.884
  304    HB   ILE  65           HB       ILE  65   3.731  -2.311   6.947
  305   1HG1  ILE  65          2HG1      ILE  65   5.771  -2.158   8.305
  306   2HG1  ILE  65          1HG1      ILE  65   5.283  -0.575   7.716
  307   1HG2  ILE  65          1HG2      ILE  65   2.439  -0.574   9.042
  308   2HG2  ILE  65          3HG2      ILE  65   2.896  -0.034   7.426
  309   3HG2  ILE  65          2HG2      ILE  65   1.663  -1.281   7.624
  310   1HD1  ILE  65          1HD1      ILE  65   4.786  -1.639  10.486
  311   2HD1  ILE  65          3HD1      ILE  65   6.051  -0.498  10.028
  312   3HD1  ILE  65          2HD1      ILE  65   4.354  -0.036   9.893
  313    H    VAL  66           H        VAL  66   1.027  -2.617   9.855
  314    HA   VAL  66           HA       VAL  66  -0.422  -4.597   8.254
  315    HB   VAL  66           HB       VAL  66  -0.721  -4.614  10.716
  316   1HG1  VAL  66          1HG1      VAL  66  -0.497  -2.237  11.149
  317   2HG1  VAL  66          3HG1      VAL  66  -1.999  -1.921  10.280
  318   3HG1  VAL  66          2HG1      VAL  66  -2.028  -2.839  11.785
  319   1HG2  VAL  66          3HG2      VAL  66  -2.476  -5.464   9.210
  320   2HG2  VAL  66          2HG2      VAL  66  -3.130  -4.815  10.714
  321   3HG2  VAL  66          1HG2      VAL  66  -3.235  -3.872   9.228
  322    H    GLY  67           H        GLY  67  -2.592  -3.944   7.433
  323   1HA   GLY  67          1HA       GLY  67  -3.898  -2.617   6.093
  324   2HA   GLY  67          2HA       GLY  67  -2.410  -1.785   5.669
  325    H    ASP  68           H        ASP  68  -3.556  -1.908   8.956
  326    HA   ASP  68           HA       ASP  68  -4.935   0.608   8.856
  327   1HB   ASP  68          2HB       ASP  68  -5.553  -1.185  10.449
  328   2HB   ASP  68          1HB       ASP  68  -3.997  -0.984  11.252
  329    H    LEU  69           H        LEU  69  -1.684  -0.341   9.162
  330    HA   LEU  69           HA       LEU  69  -0.931   2.215  10.398
  331   1HB   LEU  69          2HB       LEU  69   0.261  -0.491  10.343
  332   2HB   LEU  69          1HB       LEU  69   1.384   0.855  10.315
  333    HG   LEU  69           HG       LEU  69   0.608   1.661  12.428
  334   1HD1  LEU  69          1HD1      LEU  69  -1.521  -0.471  12.285
  335   2HD1  LEU  69          3HD1      LEU  69  -1.206   0.575  13.669
  336   3HD1  LEU  69          2HD1      LEU  69  -1.779   1.268  12.151
  337   1HD2  LEU  69          1HD2      LEU  69   2.126  -0.388  12.289
  338   2HD2  LEU  69          3HD2      LEU  69   1.340  -0.058  13.834
  339   3HD2  LEU  69          2HD2      LEU  69   0.707  -1.316  12.772
  340    H    LEU  70           H        LEU  70  -1.534   1.310   7.428
  341    HA   LEU  70           HA       LEU  70   0.914   1.915   6.079
  342   1HB   LEU  70          2HB       LEU  70  -1.926   1.638   5.125
  343   2HB   LEU  70          1HB       LEU  70  -0.618   2.083   4.048
  344    HG   LEU  70           HG       LEU  70  -0.793  -0.489   5.623
  345   1HD1  LEU  70          1HD1      LEU  70  -2.428  -0.352   3.804
  346   2HD1  LEU  70          3HD1      LEU  70  -1.129   0.023   2.671
  347   3HD1  LEU  70          2HD1      LEU  70  -1.174  -1.548   3.472
  348   1HD2  LEU  70          3HD2      LEU  70   1.514   0.254   5.277
  349   2HD2  LEU  70          2HD2      LEU  70   1.146  -1.180   4.320
  350   3HD2  LEU  70          1HD2      LEU  70   1.206   0.404   3.547
  351    HA   PRO  71           HA       PRO  71  -1.082   6.207   5.319
  352   1HB   PRO  71          2HB       PRO  71  -3.312   6.932   6.609
  353   2HB   PRO  71          1HB       PRO  71  -3.380   5.945   5.144
  354   1HG   PRO  71          2HG       PRO  71  -3.569   5.085   8.007
  355   2HG   PRO  71          1HG       PRO  71  -4.570   4.596   6.626
  356   1HD   PRO  71          2HD       PRO  71  -2.501   3.101   7.579
  357   2HD   PRO  71          1HD       PRO  71  -3.022   3.076   5.885
  358    H    GLU  72           H        GLU  72  -0.673   4.742   8.342
  359    HA   GLU  72           HA       GLU  72  -0.601   7.084   9.978
  360   1HB   GLU  72          2HB       GLU  72  -1.042   4.849  10.904
  361   2HB   GLU  72          1HB       GLU  72   0.576   4.337  10.447
  362   1HG   GLU  72          2HG       GLU  72   0.482   4.841  12.805
  363   2HG   GLU  72          1HG       GLU  72   1.529   5.991  11.975
  364    H    LEU  73           H        LEU  73   1.637   5.490   7.883
  365    HA   LEU  73           HA       LEU  73   3.940   6.867   9.017
  366   1HB   LEU  73          2HB       LEU  73   3.779   5.050   6.611
  367   2HB   LEU  73          1HB       LEU  73   5.246   5.614   7.390
  368    HG   LEU  73           HG       LEU  73   3.189   3.829   8.694
  369   1HD1  LEU  73          1HD1      LEU  73   4.327   2.697   6.852
  370   2HD1  LEU  73          3HD1      LEU  73   5.889   3.148   7.537
  371   3HD1  LEU  73          2HD1      LEU  73   4.827   2.047   8.414
  372   1HD2  LEU  73          3HD2      LEU  73   4.421   5.210  10.281
  373   2HD2  LEU  73          2HD2      LEU  73   4.903   3.519  10.408
  374   3HD2  LEU  73          1HD2      LEU  73   5.947   4.671   9.578
  375    H    CYS  74           H        CYS  74   5.129   8.440   7.967
  376    HA   CYS  74           HA       CYS  74   3.657  10.021   6.045
  377   1HB   CYS  74          2HB       CYS  74   6.354  10.486   7.337
  378   2HB   CYS  74          1HB       CYS  74   5.499  11.649   6.329
  379    HG   CYS  74           HG       CYS  74   4.202  12.735   8.250
  380    H    LEU  75           H        LEU  75   5.489  11.168   4.450
  381    HA   LEU  75           HA       LEU  75   5.992   9.130   2.516
  382   1HB   LEU  75          2HB       LEU  75   7.041  11.949   2.449
  383   2HB   LEU  75          1HB       LEU  75   6.758  10.883   1.091
  384    HG   LEU  75           HG       LEU  75   4.666  12.202   2.819
  385   1HD1  LEU  75          1HD1      LEU  75   5.734  13.676   1.187
  386   2HD1  LEU  75          3HD1      LEU  75   5.356  12.527  -0.097
  387   3HD1  LEU  75          2HD1      LEU  75   4.055  13.350   0.761
  388   1HD2  LEU  75          2HD2      LEU  75   4.370  10.228   0.564
  389   2HD2  LEU  75          1HD2      LEU  75   3.897   9.996   2.248
  390   3HD2  LEU  75          3HD2      LEU  75   3.050  11.178   1.248
  391    H    GLN  76           H        GLN  76   7.741  10.317   5.156
  392    HA   GLN  76           HA       GLN  76  10.385   9.949   4.133
  393   1HB   GLN  76          2HB       GLN  76   9.915  11.437   6.036
  394   2HB   GLN  76          1HB       GLN  76   9.401  10.054   6.991
  395   1HG   GLN  76          2HG       GLN  76  11.625  10.684   7.625
  396   2HG   GLN  76          1HG       GLN  76  11.671   9.119   6.815
  397   1HE2  GLN  76          1HE2      GLN  76  12.583   8.963   4.763
  398   2HE2  GLN  76          2HE2      GLN  76  13.610  10.195   4.120
  399    H    ASP  77           H        ASP  77   8.288   8.036   6.282
  400    HA   ASP  77           HA       ASP  77  10.063   5.883   6.628
  401   1HB   ASP  77          2HB       ASP  77   7.037   5.852   6.716
  402   2HB   ASP  77          1HB       ASP  77   8.102   4.627   7.399
  403    H    CYS  78           H        CYS  78   7.638   6.571   4.178
  404    HA   CYS  78           HA       CYS  78   7.714   4.024   2.924
  405   1HB   CYS  78          2HB       CYS  78   6.947   6.683   1.701
  406   2HB   CYS  78          1HB       CYS  78   6.502   5.086   1.109
  407    HG   CYS  78           HG       CYS  78   4.515   6.797   2.634
  408    H    GLN  79           H        GLN  79   9.549   6.995   2.536
  409    HA   GLN  79           HA       GLN  79  10.814   6.361   0.102
  410   1HB   GLN  79          2HB       GLN  79  10.766   8.617   1.253
  411   2HB   GLN  79          1HB       GLN  79  12.011   8.005   2.333
  412   1HG   GLN  79          2HG       GLN  79  13.478   7.622   0.406
  413   2HG   GLN  79          1HG       GLN  79  12.231   8.279  -0.655
  414   1HE2  GLN  79          1HE2      GLN  79  13.551   9.943  -1.368
  415   2HE2  GLN  79          2HE2      GLN  79  13.964  11.291  -0.371
  416    H    ASP  80           H        ASP  80  11.651   5.691   3.464
  417    HA   ASP  80           HA       ASP  80  14.187   4.557   3.008
  418   1HB   ASP  80          2HB       ASP  80  13.436   5.234   5.240
  419   2HB   ASP  80          1HB       ASP  80  12.182   3.995   5.208
  420    H    LEU  81           H        LEU  81  10.949   3.308   2.792
  421    HA   LEU  81           HA       LEU  81  11.661   0.550   2.640
  422   1HB   LEU  81          2HB       LEU  81   9.224   2.184   2.384
  423   2HB   LEU  81          1HB       LEU  81   9.213   0.698   1.459
  424    HG   LEU  81           HG       LEU  81   9.309  -0.647   3.377
  425   1HD1  LEU  81          3HD1      LEU  81  10.151   1.812   4.905
  426   2HD1  LEU  81          2HD1      LEU  81   9.758   0.259   5.641
  427   3HD1  LEU  81          1HD1      LEU  81  11.134   0.392   4.547
  428   1HD2  LEU  81          3HD2      LEU  81   7.149   0.491   3.080
  429   2HD2  LEU  81          2HD2      LEU  81   7.482   0.114   4.771
  430   3HD2  LEU  81          1HD2      LEU  81   7.687   1.763   4.178
  431    H    CYS  82           H        CYS  82  11.906   3.129   0.485
  432    HA   CYS  82           HA       CYS  82  11.792   1.403  -1.880
  433   1HB   CYS  82          2HB       CYS  82  12.051   4.412  -1.677
  434   2HB   CYS  82          1HB       CYS  82  11.889   3.498  -3.172
  435    HG   CYS  82           HG       CYS  82   9.498   4.923  -2.185
  436    H    ASP  83           H        ASP  83  13.531   2.439  -3.596
  437    HA   ASP  83           HA       ASP  83  16.065   1.589  -2.545
  438   1HB   ASP  83          2HB       ASP  83  15.288   2.670  -5.260
  439   2HB   ASP  83          1HB       ASP  83  16.884   2.041  -4.858
  440    H    GLY  84           H        GLY  84  14.462   4.599  -2.948
  441   1HA   GLY  84          1HA       GLY  84  16.985   6.089  -2.750
  442   2HA   GLY  84          2HA       GLY  84  15.800   6.269  -1.466
  443    H    ASP  85           H        ASP  85  14.069   5.772  -4.208
  444    HA   ASP  85           HA       ASP  85  14.180   8.484  -5.231
  445   1HB   ASP  85          2HB       ASP  85  13.908   6.644  -6.815
  446   2HB   ASP  85          1HB       ASP  85  12.428   6.140  -6.004
  447    H    LEU  86           H        LEU  86  12.966  10.096  -4.508
  448    HA   LEU  86           HA       LEU  86  11.091   9.758  -2.414
  449   1HB   LEU  86          2HB       LEU  86  12.439  11.804  -2.757
  450   2HB   LEU  86          1HB       LEU  86  11.517  12.149  -4.209
  451    HG   LEU  86           HG       LEU  86   9.468  12.354  -2.829
  452   1HD1  LEU  86          3HD1      LEU  86  11.384  12.049  -0.521
  453   2HD1  LEU  86          2HD1      LEU  86   9.692  12.530  -0.395
  454   3HD1  LEU  86          1HD1      LEU  86  10.111  10.918  -0.978
  455   1HD2  LEU  86          2HD2      LEU  86  11.763  14.120  -1.990
  456   2HD2  LEU  86          1HD2      LEU  86  10.758  14.333  -3.423
  457   3HD2  LEU  86          3HD2      LEU  86  10.051  14.503  -1.816
  458    H    ASN  87           H        ASN  87  10.706  10.549  -5.858
  459    HA   ASN  87           HA       ASN  87   7.970  10.881  -5.970
  460   1HB   ASN  87          2HB       ASN  87   9.942   9.773  -7.952
  461   2HB   ASN  87          1HB       ASN  87   8.231   9.891  -8.344
  462   1HD2  ASN  87          1HD2      ASN  87   9.850  12.187  -6.280
  463   2HD2  ASN  87          2HD2      ASN  87   9.799  13.515  -7.384
  464    H    LYS  88           H        LYS  88   9.830   7.935  -5.769
  465    HA   LYS  88           HA       LYS  88   7.849   6.075  -6.452
  466   1HB   LYS  88          2HB       LYS  88  10.333   5.672  -6.143
  467   2HB   LYS  88          1HB       LYS  88  10.034   5.668  -4.413
  468   1HG   LYS  88          2HG       LYS  88   9.939   3.437  -4.810
  469   2HG   LYS  88          1HG       LYS  88   8.245   3.843  -5.095
  470   1HD   LYS  88          2HD       LYS  88   8.572   3.875  -7.459
  471   2HD   LYS  88          1HD       LYS  88  10.323   3.747  -7.275
  472   1HE   LYS  88          2HE       LYS  88   8.265   1.650  -6.597
  473   2HE   LYS  88          1HE       LYS  88   9.435   1.602  -7.914
  474   1HZ   LYS  88          2HZ       LYS  88  10.109   1.608  -5.021
  475   2HZ   LYS  88          1HZ       LYS  88  10.138   0.253  -6.032
  476   3HZ   LYS  88          3HZ       LYS  88  11.218   1.529  -6.296
  477    H    ALA  89           H        ALA  89   8.845   7.324  -3.280
  478    HA   ALA  89           HA       ALA  89   6.933   5.908  -1.768
  479   1HB   ALA  89          1HB       ALA  89   7.499   7.435   0.044
  480   2HB   ALA  89          2HB       ALA  89   8.321   8.501  -1.097
  481   3HB   ALA  89          3HB       ALA  89   8.954   6.884  -0.789
  482    H    ILE  90           H        ILE  90   6.793   8.927  -3.520
  483    HA   ILE  90           HA       ILE  90   4.538  10.060  -2.305
  484    HB   ILE  90           HB       ILE  90   5.460  10.307  -5.171
  485   1HG1  ILE  90          2HG1      ILE  90   5.922  12.084  -2.763
  486   2HG1  ILE  90          1HG1      ILE  90   7.121  11.022  -3.493
  487   1HG2  ILE  90          1HG2      ILE  90   3.514  12.001  -3.608
  488   2HG2  ILE  90          3HG2      ILE  90   4.131  12.375  -5.217
  489   3HG2  ILE  90          2HG2      ILE  90   3.126  10.948  -4.968
  490   1HD1  ILE  90          3HD1      ILE  90   6.984  12.333  -5.567
  491   2HD1  ILE  90          2HD1      ILE  90   5.835  13.418  -4.782
  492   3HD1  ILE  90          1HD1      ILE  90   7.490  13.301  -4.181
  493    H    LYS  91           H        LYS  91   4.694   8.167  -5.336
  494    HA   LYS  91           HA       LYS  91   1.937   7.967  -5.726
  495   1HB   LYS  91          2HB       LYS  91   4.324   6.516  -6.713
  496   2HB   LYS  91          1HB       LYS  91   2.788   5.673  -6.864
  497   1HG   LYS  91          2HG       LYS  91   3.333   8.439  -7.923
  498   2HG   LYS  91          1HG       LYS  91   3.410   6.958  -8.879
  499   1HD   LYS  91          2HD       LYS  91   1.040   6.525  -8.344
  500   2HD   LYS  91          1HD       LYS  91   0.980   8.050  -7.458
  501   1HE   LYS  91          2HE       LYS  91   1.574   7.725 -10.397
  502   2HE   LYS  91          1HE       LYS  91   0.057   8.294  -9.705
  503   1HZ   LYS  91          3HZ       LYS  91   1.248  10.186  -8.769
  504   2HZ   LYS  91          2HZ       LYS  91   2.692   9.643  -9.463
  505   3HZ   LYS  91          1HZ       LYS  91   1.412  10.136 -10.453
  506    H    PHE  92           H        PHE  92   4.133   6.033  -3.792
  507    HA   PHE  92           HA       PHE  92   2.493   3.856  -3.214
  508   1HB   PHE  92          2HB       PHE  92   4.852   3.906  -2.620
  509   2HB   PHE  92          1HB       PHE  92   4.574   5.227  -1.494
  510    HD1  PHE  92           HD1      PHE  92   3.419   1.731  -2.129
  511    HD2  PHE  92           HD2      PHE  92   4.387   4.729   0.729
  512    HE1  PHE  92           HE1      PHE  92   3.091   0.100  -0.317
  513    HE2  PHE  92           HE2      PHE  92   4.058   3.105   2.548
  514    HZ   PHE  92           HZ       PHE  92   3.411   0.786   2.026
  515    H    LYS  93           H        LYS  93   3.008   6.728  -1.164
  516    HA   LYS  93           HA       LYS  93   0.982   6.202   0.678
  517   1HB   LYS  93          2HB       LYS  93   2.802   7.873   0.963
  518   2HB   LYS  93          1HB       LYS  93   1.992   8.912  -0.200
  519   1HG   LYS  93          2HG       LYS  93   1.429   9.732   1.934
  520   2HG   LYS  93          1HG       LYS  93  -0.003   8.889   1.339
  521   1HD   LYS  93          2HD       LYS  93   0.545   6.947   2.683
  522   2HD   LYS  93          1HD       LYS  93   2.044   7.711   3.217
  523   1HE   LYS  93          2HE       LYS  93  -0.760   8.662   3.788
  524   2HE   LYS  93          1HE       LYS  93   0.342   7.901   4.934
  525   1HZ   LYS  93          2HZ       LYS  93   0.795  10.506   3.583
  526   2HZ   LYS  93          1HZ       LYS  93   0.303  10.304   5.189
  527   3HZ   LYS  93          3HZ       LYS  93   1.836   9.778   4.701
  528    H    ILE  94           H        ILE  94   0.845   7.608  -2.508
  529    HA   ILE  94           HA       ILE  94  -1.679   8.860  -2.293
  530    HB   ILE  94           HB       ILE  94  -0.107   7.872  -4.657
  531   1HG1  ILE  94          2HG1      ILE  94  -0.929  10.663  -3.827
  532   2HG1  ILE  94          1HG1      ILE  94   0.610   9.924  -3.399
  533   1HG2  ILE  94          2HG2      ILE  94  -2.456   7.590  -5.212
  534   2HG2  ILE  94          1HG2      ILE  94  -2.791   9.246  -4.704
  535   3HG2  ILE  94          3HG2      ILE  94  -1.769   8.946  -6.111
  536   1HD1  ILE  94          2HD1      ILE  94   1.172   9.741  -5.773
  537   2HD1  ILE  94          1HD1      ILE  94  -0.363  10.506  -6.186
  538   3HD1  ILE  94          3HD1      ILE  94   0.859  11.410  -5.291
  539    H    LEU  95           H        LEU  95  -0.922   5.888  -4.128
  540    HA   LEU  95           HA       LEU  95  -3.462   5.024  -4.622
  541   1HB   LEU  95          2HB       LEU  95  -1.152   3.237  -3.861
  542   2HB   LEU  95          1HB       LEU  95  -2.580   2.753  -4.754
  543    HG   LEU  95           HG       LEU  95  -0.449   4.666  -5.711
  544   1HD1  LEU  95          1HD1      LEU  95   0.245   2.315  -5.673
  545   2HD1  LEU  95          3HD1      LEU  95  -1.171   1.886  -6.634
  546   3HD1  LEU  95          2HD1      LEU  95   0.079   2.926  -7.318
  547   1HD2  LEU  95          3HD2      LEU  95  -2.927   3.658  -7.106
  548   2HD2  LEU  95          2HD2      LEU  95  -2.645   5.308  -6.553
  549   3HD2  LEU  95          1HD2      LEU  95  -1.652   4.629  -7.843
  550    H    ILE  96           H        ILE  96  -1.667   4.781  -1.626
  551    HA   ILE  96           HA       ILE  96  -3.500   3.023  -0.349
  552    HB   ILE  96           HB       ILE  96  -1.486   4.898   0.891
  553   1HG1  ILE  96          2HG1      ILE  96  -1.185   1.931   0.457
  554   2HG1  ILE  96          1HG1      ILE  96  -0.686   3.098  -0.763
  555   1HG2  ILE  96          2HG2      ILE  96  -2.936   2.522   2.052
  556   2HG2  ILE  96          1HG2      ILE  96  -1.639   3.413   2.846
  557   3HG2  ILE  96          3HG2      ILE  96  -3.172   4.212   2.496
  558   1HD1  ILE  96          1HD1      ILE  96   0.836   4.118   0.869
  559   2HD1  ILE  96          3HD1      ILE  96   0.367   2.892   2.047
  560   3HD1  ILE  96          2HD1      ILE  96   1.200   2.419   0.567
  561    H    ASN  97           H        ASN  97  -3.106   6.531  -0.425
  562    HA   ASN  97           HA       ASN  97  -4.984   7.190   1.545
  563   1HB   ASN  97          2HB       ASN  97  -3.433   8.846   0.684
  564   2HB   ASN  97          1HB       ASN  97  -4.141   8.724  -0.923
  565   1HD2  ASN  97          1HD2      ASN  97  -4.550   9.919   2.310
  566   2HD2  ASN  97          2HD2      ASN  97  -5.868  10.982   1.969
  567    H    LYS  98           H        LYS  98  -5.356   6.562  -1.908
  568    HA   LYS  98           HA       LYS  98  -8.094   7.290  -2.064
  569   1HB   LYS  98          2HB       LYS  98  -6.217   5.739  -3.805
  570   2HB   LYS  98          1HB       LYS  98  -7.939   5.700  -4.150
  571   1HG   LYS  98          2HG       LYS  98  -6.928   7.388  -5.500
  572   2HG   LYS  98          1HG       LYS  98  -7.919   8.177  -4.272
  573   1HD   LYS  98          2HD       LYS  98  -5.962   8.686  -2.956
  574   2HD   LYS  98          1HD       LYS  98  -4.937   7.775  -4.068
  575   1HE   LYS  98          2HE       LYS  98  -6.505  10.264  -4.737
  576   2HE   LYS  98          1HE       LYS  98  -4.765  10.182  -4.463
  577   1HZ   LYS  98          2HZ       LYS  98  -4.591   8.692  -6.375
  578   2HZ   LYS  98          1HZ       LYS  98  -6.254   8.827  -6.649
  579   3HZ   LYS  98          3HZ       LYS  98  -5.255  10.184  -6.815
  580    H    MET  99           H        MET  99  -6.422   4.226  -1.512
  581    HA   MET  99           HA       MET  99  -8.639   2.528  -1.643
  582   1HB   MET  99          2HB       MET  99  -6.318   1.729  -1.629
  583   2HB   MET  99          1HB       MET  99  -6.146   2.243   0.043
  584   1HG   MET  99          2HG       MET  99  -6.507  -0.171  -0.178
  585   2HG   MET  99          1HG       MET  99  -7.771   0.622   0.760
  586   1HE   MET  99          1HE       MET  99  -6.816  -0.834  -2.770
  587   2HE   MET  99          3HE       MET  99  -8.335  -0.644  -3.646
  588   3HE   MET  99          2HE       MET  99  -7.416   0.779  -3.154
  589    H    ARG 100           H        ARG 100  -7.322   4.388   1.063
  590    HA   ARG 100           HA       ARG 100  -9.042   3.285   3.031
  591   1HB   ARG 100          2HB       ARG 100  -6.981   4.387   3.676
  592   2HB   ARG 100          1HB       ARG 100  -7.531   5.902   2.972
  593   1HG   ARG 100          2HG       ARG 100  -9.270   6.093   4.630
  594   2HG   ARG 100          1HG       ARG 100  -8.855   4.509   5.289
  595   1HD   ARG 100          2HD       ARG 100  -6.672   5.329   5.954
  596   2HD   ARG 100          1HD       ARG 100  -7.014   6.896   5.222
  597    HE   ARG 100           HE       ARG 100  -8.782   7.149   6.920
  598   1HH1  ARG 100          1HH1      ARG 100  -6.233   4.838   7.479
  599   2HH1  ARG 100          2HH1      ARG 100  -6.404   4.875   9.202
  600   1HH2  ARG 100          1HH2      ARG 100  -9.010   7.205   9.186
  601   2HH2  ARG 100          2HH2      ARG 100  -7.982   6.221  10.172
  602    H    ASP 101           H        ASP 101  -9.089   6.511   1.502
  603    HA   ASP 101           HA       ASP 101 -11.631   7.216   2.488
  604   1HB   ASP 101          2HB       ASP 101 -10.100   8.254   0.096
  605   2HB   ASP 101          1HB       ASP 101 -11.561   8.996   0.739
  606    H    SER 102           H        SER 102 -10.758   4.995   0.140
  607    HA   SER 102           HA       SER 102 -11.940   3.680  -1.284
  608   1HB   SER 102          2HB       SER 102 -14.378   5.022  -0.089
  609   2HB   SER 102          1HB       SER 102 -14.381   3.556  -1.068
  610    HG   SER 102           HG       SER 102 -13.581   3.940   1.575
  611    H    LYS 103           H        LYS 103 -12.988   3.727  -3.335
  612    HA   LYS 103           HA       LYS 103 -12.818   6.362  -4.590
  613   1HB   LYS 103          2HB       LYS 103 -11.549   4.471  -5.565
  614   2HB   LYS 103          1HB       LYS 103 -13.065   3.628  -5.857
  615   1HG   LYS 103          2HG       LYS 103 -13.768   5.370  -7.394
  616   2HG   LYS 103          1HG       LYS 103 -12.288   6.275  -7.068
  617   1HD   LYS 103          2HD       LYS 103 -12.002   5.096  -9.135
  618   2HD   LYS 103          1HD       LYS 103 -10.989   4.322  -7.916
  619   1HE   LYS 103          2HE       LYS 103 -12.742   2.614  -7.592
  620   2HE   LYS 103          1HE       LYS 103 -13.686   3.370  -8.873
  621   1HZ   LYS 103          3HZ       LYS 103 -11.882   2.906 -10.419
  622   2HZ   LYS 103          2HZ       LYS 103 -10.988   2.168  -9.187
  623   3HZ   LYS 103          1HZ       LYS 103 -12.444   1.480  -9.703
  624    H    LEU 104           H        LEU 104 -14.680   7.456  -4.445
  625    HA   LEU 104           HA       LEU 104 -17.197   6.032  -4.949
  626   1HB   LEU 104          2HB       LEU 104 -16.612   8.679  -3.632
  627   2HB   LEU 104          1HB       LEU 104 -18.232   8.179  -4.069
  628    HG   LEU 104           HG       LEU 104 -17.902   7.763  -1.731
  629   1HD1  LEU 104          2HD1      LEU 104 -19.224   6.115  -2.940
  630   2HD1  LEU 104          1HD1      LEU 104 -17.769   5.171  -3.261
  631   3HD1  LEU 104          3HD1      LEU 104 -18.345   5.370  -1.605
  632   1HD2  LEU 104          2HD2      LEU 104 -15.453   7.674  -1.742
  633   2HD2  LEU 104          1HD2      LEU 104 -16.159   6.311  -0.873
  634   3HD2  LEU 104          3HD2      LEU 104 -15.521   6.083  -2.502
  635    H    GLU 105           H        GLU 105 -16.394   9.445  -5.431
  636    HA   GLU 105           HA       GLU 105 -16.689   9.180  -8.315
  637   1HB   GLU 105          2HB       GLU 105 -18.513  10.901  -6.626
  638   2HB   GLU 105          1HB       GLU 105 -18.376  11.028  -8.374
  639   1HG   GLU 105          2HG       GLU 105 -19.152   8.718  -8.597
  640   2HG   GLU 105          1HG       GLU 105 -19.302   8.607  -6.844
  641    H    TRP 106           H        TRP 106 -14.348   9.719  -7.192
  642    HA   TRP 106           HA       TRP 106 -14.021  12.627  -7.525
  643   1HB   TRP 106          2HB       TRP 106 -12.306  10.833  -5.798
  644   2HB   TRP 106          1HB       TRP 106 -12.192  12.584  -5.940
  645    HD1  TRP 106           HD1      TRP 106 -15.139  13.476  -5.500
  646    HE1  TRP 106           HE1      TRP 106 -16.296  13.133  -3.226
  647    HE3  TRP 106           HE3      TRP 106 -12.184   9.744  -3.637
  648    HZ2  TRP 106           HZ2      TRP 106 -15.996  11.498  -0.944
  649    HZ3  TRP 106           HZ3      TRP 106 -12.684   8.847  -1.400
  650    HH2  TRP 106           HH2      TRP 106 -14.551   9.707  -0.083
  651    H    LYS 107           H        LYS 107 -13.717  10.044  -9.253
  652    HA   LYS 107           HA       LYS 107 -10.971  10.553 -10.174
  653   1HB   LYS 107          2HB       LYS 107 -11.496   8.218  -9.554
  654   2HB   LYS 107          1HB       LYS 107 -12.766   8.193 -10.769
  655   1HG   LYS 107          2HG       LYS 107 -11.149   8.457 -12.535
  656   2HG   LYS 107          1HG       LYS 107  -9.847   8.640 -11.357
  657   1HD   LYS 107          2HD       LYS 107 -10.288   6.354 -10.550
  658   2HD   LYS 107          1HD       LYS 107 -11.541   6.178 -11.780
  659   1HE   LYS 107          2HE       LYS 107  -9.425   5.143 -12.470
  660   2HE   LYS 107          1HE       LYS 107  -9.893   6.465 -13.538
  661   1HZ   LYS 107          1HZ       LYS 107  -7.891   6.640 -11.350
  662   2HZ   LYS 107          3HZ       LYS 107  -7.540   6.546 -13.003
  663   3HZ   LYS 107          2HZ       LYS 107  -8.333   7.904 -12.384
  664    H    ASP 108           H        ASP 108 -11.091  12.191 -11.597
  665    HA   ASP 108           HA       ASP 108 -12.991  11.916 -13.832
  666   1HB   ASP 108          2HB       ASP 108 -13.495  13.883 -12.476
  667   2HB   ASP 108          1HB       ASP 108 -11.833  14.444 -12.638

  No H/Q in entry =         667
  Start of MODEL   21
    1    H1   GLY  24          2H        GLY  24 -16.753 -11.747  -9.941
    2    H2   GLY  24          1H        GLY  24 -18.083 -12.425 -10.737
    3    H3   GLY  24          3H        GLY  24 -18.219 -11.944  -9.121
    4   1HA   GLY  24          2HA       GLY  24 -16.543 -14.162 -10.161
    5   2HA   GLY  24          1HA       GLY  24 -18.033 -14.334  -9.244
    6    H    SER  25           H        SER  25 -16.869 -11.778  -7.795
    7    HA   SER  25           HA       SER  25 -15.762 -11.341  -5.861
    8   1HB   SER  25          2HB       SER  25 -16.141 -14.311  -5.406
    9   2HB   SER  25          1HB       SER  25 -15.683 -13.140  -4.170
   10    HG   SER  25           HG       SER  25 -17.831 -13.242  -3.964
   11    H    HIS  26           H        HIS  26 -13.783 -10.709  -6.608
   12    HA   HIS  26           HA       HIS  26 -11.727 -12.776  -6.954
   13   1HB   HIS  26          2HB       HIS  26 -10.419 -11.045  -8.102
   14   2HB   HIS  26          1HB       HIS  26 -12.004 -11.240  -8.843
   15    HD1  HIS  26           HD1      HIS  26  -9.757  -8.702  -7.705
   16    HD2  HIS  26           HD2      HIS  26 -13.888  -9.141  -7.800
   17    HE1  HIS  26           HE1      HIS  26 -10.687  -6.376  -7.473
   18    HE2  HIS  26           HE2      HIS  26 -13.187  -6.661  -7.603
   19    H    MET  27           H        MET  27 -12.861 -10.565  -4.712
   20    HA   MET  27           HA       MET  27 -10.234 -10.379  -3.394
   21   1HB   MET  27          2HB       MET  27 -12.677  -8.622  -3.117
   22   2HB   MET  27          1HB       MET  27 -11.245  -8.485  -2.107
   23   1HG   MET  27          2HG       MET  27 -10.719  -8.425  -4.988
   24   2HG   MET  27          1HG       MET  27 -11.687  -7.083  -4.384
   25   1HE   MET  27          3HE       MET  27  -8.301  -8.998  -4.183
   26   2HE   MET  27          2HE       MET  27  -7.426  -8.114  -2.934
   27   3HE   MET  27          1HE       MET  27  -8.823  -9.101  -2.502
   28    H    ASN  28           H        ASN  28  -9.988 -11.844  -1.859
   29    HA   ASN  28           HA       ASN  28 -12.218 -13.130  -0.590
   30   1HB   ASN  28          2HB       ASN  28 -10.145 -14.357  -1.100
   31   2HB   ASN  28          1HB       ASN  28  -9.255 -13.315   0.005
   32   1HD2  ASN  28          1HD2      ASN  28  -9.530 -13.559   2.216
   33   2HD2  ASN  28          2HD2      ASN  28 -10.269 -14.960   2.903
   34    H    ASN  29           H        ASN  29 -10.479 -10.292  -0.028
   35    HA   ASN  29           HA       ASN  29 -11.773  -9.963   2.562
   36   1HB   ASN  29          2HB       ASN  29  -9.516 -10.848   3.066
   37   2HB   ASN  29          1HB       ASN  29  -8.806  -9.502   2.179
   38   1HD2  ASN  29          1HD2      ASN  29 -11.648  -9.226   4.192
   39   2HD2  ASN  29          2HD2      ASN  29 -10.918  -8.257   5.422
   40    H    GLU  30           H        GLU  30 -12.428  -7.903   2.948
   41    HA   GLU  30           HA       GLU  30 -11.879  -5.947   0.831
   42   1HB   GLU  30          2HB       GLU  30 -14.238  -6.482   1.227
   43   2HB   GLU  30          1HB       GLU  30 -14.072  -6.009   2.912
   44   1HG   GLU  30          2HG       GLU  30 -13.622  -3.720   2.250
   45   2HG   GLU  30          1HG       GLU  30 -13.714  -4.179   0.550
   46    H    ASP  31           H        ASP  31 -12.332  -6.003   4.371
   47    HA   ASP  31           HA       ASP  31 -11.299  -3.443   4.853
   48   1HB   ASP  31          2HB       ASP  31 -11.012  -4.235   7.202
   49   2HB   ASP  31          1HB       ASP  31 -12.609  -4.574   6.538
   50    H    PHE  32           H        PHE  32  -9.292  -2.653   5.207
   51    HA   PHE  32           HA       PHE  32  -7.060  -4.353   4.451
   52   1HB   PHE  32          2HB       PHE  32  -5.767  -2.198   4.512
   53   2HB   PHE  32          1HB       PHE  32  -7.112  -2.216   3.377
   54    HD1  PHE  32           HD1      PHE  32  -9.043  -0.825   3.715
   55    HD2  PHE  32           HD2      PHE  32  -5.853  -0.848   6.533
   56    HE1  PHE  32           HE1      PHE  32  -9.940   1.224   4.743
   57    HE2  PHE  32           HE2      PHE  32  -6.746   1.199   7.566
   58    HZ   PHE  32           HZ       PHE  32  -8.792   2.238   6.671
   59    H    SER  33           H        SER  33  -8.583  -3.517   7.281
   60    HA   SER  33           HA       SER  33  -6.371  -3.098   9.006
   61   1HB   SER  33          2HB       SER  33  -8.010  -3.606  10.824
   62   2HB   SER  33          1HB       SER  33  -8.574  -2.378   9.690
   63    HG   SER  33           HG       SER  33  -9.904  -3.884   8.741
   64    H    GLN  34           H        GLN  34  -7.826  -5.942   7.662
   65    HA   GLN  34           HA       GLN  34  -6.351  -7.653   9.536
   66   1HB   GLN  34          2HB       GLN  34  -8.664  -8.128   7.692
   67   2HB   GLN  34          1HB       GLN  34  -7.678  -9.481   8.226
   68   1HG   GLN  34          2HG       GLN  34  -9.630  -9.243   9.629
   69   2HG   GLN  34          1HG       GLN  34  -8.162  -8.922  10.551
   70   1HE2  GLN  34          1HE2      GLN  34  -7.739  -6.843  11.267
   71   2HE2  GLN  34          2HE2      GLN  34  -8.945  -5.607  11.285
   72    H    TRP  35           H        TRP  35  -5.594  -6.117   6.839
   73    HA   TRP  35           HA       TRP  35  -4.666  -8.116   5.079
   74   1HB   TRP  35          2HB       TRP  35  -4.064  -5.209   5.459
   75   2HB   TRP  35          1HB       TRP  35  -3.055  -6.166   4.380
   76    HD1  TRP  35           HD1      TRP  35  -6.546  -7.396   4.210
   77    HE1  TRP  35           HE1      TRP  35  -7.712  -6.492   2.101
   78    HE3  TRP  35           HE3      TRP  35  -3.146  -3.821   2.872
   79    HZ2  TRP  35           HZ2      TRP  35  -7.250  -4.525   0.129
   80    HZ3  TRP  35           HZ3      TRP  35  -3.581  -2.472   0.860
   81    HH2  TRP  35           HH2      TRP  35  -5.592  -2.818  -0.481
   82    H    SER  36           H        SER  36  -2.726  -9.132   4.857
   83    HA   SER  36           HA       SER  36  -0.920  -8.967   7.167
   84   1HB   SER  36          2HB       SER  36  -1.889 -11.189   6.729
   85   2HB   SER  36          1HB       SER  36  -1.216 -11.163   5.099
   86    HG   SER  36           HG       SER  36   0.353 -12.168   6.130
   87    H    VAL  37           H        VAL  37   1.414  -9.775   6.410
   88    HA   VAL  37           HA       VAL  37   2.552  -7.663   4.982
   89    HB   VAL  37           HB       VAL  37   3.700 -10.407   5.511
   90   1HG1  VAL  37          2HG1      VAL  37   5.075  -7.849   4.698
   91   2HG1  VAL  37          1HG1      VAL  37   5.889  -9.333   5.192
   92   3HG1  VAL  37          3HG1      VAL  37   4.915  -9.310   3.721
   93   1HG2  VAL  37          2HG2      VAL  37   3.062  -9.233   7.546
   94   2HG2  VAL  37          1HG2      VAL  37   4.818  -9.317   7.400
   95   3HG2  VAL  37          3HG2      VAL  37   3.974  -7.814   7.027
   96    H    ASP  38           H        ASP  38   2.133 -11.054   3.946
   97    HA   ASP  38           HA       ASP  38   3.062 -10.713   1.331
   98   1HB   ASP  38          2HB       ASP  38   1.888 -12.826   0.835
   99   2HB   ASP  38          1HB       ASP  38   2.805 -12.918   2.337
  100    H    ASP  39           H        ASP  39  -0.034  -9.995   2.751
  101    HA   ASP  39           HA       ASP  39  -1.468  -9.836   0.281
  102   1HB   ASP  39          2HB       ASP  39  -2.575 -10.269   2.456
  103   2HB   ASP  39          1HB       ASP  39  -2.170  -8.633   2.966
  104    H    VAL  40           H        VAL  40   0.065  -7.461   2.421
  105    HA   VAL  40           HA       VAL  40  -0.771  -5.192   0.921
  106    HB   VAL  40           HB       VAL  40   1.503  -5.473   2.893
  107   1HG1  VAL  40          2HG1      VAL  40   0.226  -3.001   1.729
  108   2HG1  VAL  40          1HG1      VAL  40   1.376  -3.015   3.066
  109   3HG1  VAL  40          3HG1      VAL  40   1.879  -3.556   1.464
  110   1HG2  VAL  40          1HG2      VAL  40  -0.689  -5.956   3.856
  111   2HG2  VAL  40          3HG2      VAL  40  -0.044  -4.437   4.477
  112   3HG2  VAL  40          2HG2      VAL  40  -1.303  -4.421   3.242
  113    H    ILE  41           H        ILE  41   2.131  -7.203   0.901
  114    HA   ILE  41           HA       ILE  41   3.688  -5.583  -0.798
  115    HB   ILE  41           HB       ILE  41   3.776  -8.577  -0.402
  116   1HG1  ILE  41          2HG1      ILE  41   5.542  -6.425   0.776
  117   2HG1  ILE  41          1HG1      ILE  41   4.162  -7.121   1.617
  118   1HG2  ILE  41          3HG2      ILE  41   5.773  -6.726  -1.700
  119   2HG2  ILE  41          2HG2      ILE  41   6.071  -8.417  -1.301
  120   3HG2  ILE  41          1HG2      ILE  41   4.842  -7.996  -2.493
  121   1HD1  ILE  41          3HD1      ILE  41   5.223  -9.323   1.510
  122   2HD1  ILE  41          2HD1      ILE  41   6.612  -8.604   0.694
  123   3HD1  ILE  41          1HD1      ILE  41   6.227  -8.143   2.352
  124    H    THR  42           H        THR  42   1.678  -8.432  -1.525
  125    HA   THR  42           HA       THR  42   2.097  -8.504  -4.274
  126    HB   THR  42           HB       THR  42  -0.425  -9.290  -2.803
  127    HG1  THR  42           HG1      THR  42   0.595 -11.123  -2.326
  128   1HG2  THR  42          2HG2      THR  42   0.657 -10.140  -5.492
  129   2HG2  THR  42          1HG2      THR  42  -0.752 -10.837  -4.692
  130   3HG2  THR  42          3HG2      THR  42  -0.775  -9.151  -5.209
  131    H    TRP  43           H        TRP  43  -0.634  -6.988  -2.533
  132    HA   TRP  43           HA       TRP  43  -1.889  -5.900  -4.778
  133   1HB   TRP  43          2HB       TRP  43  -3.012  -6.015  -2.626
  134   2HB   TRP  43          1HB       TRP  43  -1.858  -4.881  -1.930
  135    HD1  TRP  43           HD1      TRP  43  -4.780  -4.996  -4.432
  136    HE1  TRP  43           HE1      TRP  43  -5.734  -2.620  -4.676
  137    HE3  TRP  43           HE3      TRP  43  -1.323  -2.447  -1.661
  138    HZ2  TRP  43           HZ2      TRP  43  -5.104  -0.010  -3.811
  139    HZ3  TRP  43           HZ3      TRP  43  -1.569  -0.010  -1.421
  140    HH2  TRP  43           HH2      TRP  43  -3.422   1.182  -2.476
  141    H    CYS  44           H        CYS  44   0.550  -4.483  -2.628
  142    HA   CYS  44           HA       CYS  44   0.647  -1.927  -3.696
  143   1HB   CYS  44          2HB       CYS  44   1.831  -2.486  -1.662
  144   2HB   CYS  44          1HB       CYS  44   2.877  -3.603  -2.531
  145    HG   CYS  44           HG       CYS  44   3.748  -1.260  -4.175
  146    H    ILE  45           H        ILE  45   3.116  -4.390  -4.388
  147    HA   ILE  45           HA       ILE  45   4.287  -3.209  -6.578
  148    HB   ILE  45           HB       ILE  45   3.870  -6.175  -6.182
  149   1HG1  ILE  45          2HG1      ILE  45   6.226  -4.500  -5.310
  150   2HG1  ILE  45          1HG1      ILE  45   4.888  -4.906  -4.239
  151   1HG2  ILE  45          3HG2      ILE  45   5.944  -4.660  -7.758
  152   2HG2  ILE  45          2HG2      ILE  45   5.931  -6.404  -7.494
  153   3HG2  ILE  45          1HG2      ILE  45   4.636  -5.643  -8.417
  154   1HD1  ILE  45          2HD1      ILE  45   6.713  -6.875  -5.600
  155   2HD1  ILE  45          1HD1      ILE  45   6.784  -6.389  -3.906
  156   3HD1  ILE  45          3HD1      ILE  45   5.384  -7.274  -4.511
  157    H    SER  46           H        SER  46   1.329  -5.093  -6.459
  158    HA   SER  46           HA       SER  46   1.000  -5.723  -9.136
  159   1HB   SER  46          2HB       SER  46  -0.458  -6.618  -7.402
  160   2HB   SER  46          1HB       SER  46  -1.125  -5.013  -7.106
  161    HG   SER  46           HG       SER  46  -1.990  -5.040  -9.194
  162    H    THR  47           H        THR  47   0.567  -2.633  -7.547
  163    HA   THR  47           HA       THR  47   0.072  -1.435 -10.167
  164    HB   THR  47           HB       THR  47  -2.160  -1.737  -9.303
  165    HG1  THR  47           HG1      THR  47  -2.345   0.160 -10.237
  166   1HG2  THR  47          3HG2      THR  47  -1.141  -0.314  -6.849
  167   2HG2  THR  47          2HG2      THR  47  -2.849  -0.590  -7.190
  168   3HG2  THR  47          1HG2      THR  47  -1.765  -1.961  -6.950
  169    H    LEU  48           H        LEU  48   2.163  -1.449  -7.833
  170    HA   LEU  48           HA       LEU  48   2.192   1.301  -6.989
  171   1HB   LEU  48          2HB       LEU  48   3.189  -0.807  -5.824
  172   2HB   LEU  48          1HB       LEU  48   4.568  -0.525  -6.864
  173    HG   LEU  48           HG       LEU  48   4.944   0.421  -4.656
  174   1HD1  LEU  48          1HD1      LEU  48   5.913   1.548  -6.618
  175   2HD1  LEU  48          3HD1      LEU  48   4.507   2.612  -6.677
  176   3HD1  LEU  48          2HD1      LEU  48   5.589   2.657  -5.284
  177   1HD2  LEU  48          1HD2      LEU  48   2.575   0.812  -4.089
  178   2HD2  LEU  48          3HD2      LEU  48   3.600   2.209  -3.766
  179   3HD2  LEU  48          2HD2      LEU  48   2.562   2.187  -5.193
  180    H    GLU  49           H        GLU  49   4.740  -0.508  -8.713
  181    HA   GLU  49           HA       GLU  49   4.900   1.634 -10.684
  182   1HB   GLU  49          2HB       GLU  49   6.459   2.272  -8.880
  183   2HB   GLU  49          1HB       GLU  49   7.298   0.740  -9.080
  184   1HG   GLU  49          2HG       GLU  49   7.948   1.348 -11.326
  185   2HG   GLU  49          1HG       GLU  49   7.032   2.850 -11.208
  186    H    VAL  50           H        VAL  50   6.674  -1.275  -9.646
  187    HA   VAL  50           HA       VAL  50   6.733  -2.144 -12.461
  188    HB   VAL  50           HB       VAL  50   8.713  -3.458 -11.894
  189   1HG1  VAL  50          2HG1      VAL  50   8.976  -1.128 -12.633
  190   2HG1  VAL  50          1HG1      VAL  50   8.968  -0.606 -10.948
  191   3HG1  VAL  50          3HG1      VAL  50  10.271  -1.631 -11.548
  192   1HG2  VAL  50          3HG2      VAL  50   8.148  -3.946  -9.559
  193   2HG2  VAL  50          2HG2      VAL  50   9.774  -3.282  -9.713
  194   3HG2  VAL  50          1HG2      VAL  50   8.456  -2.262  -9.137
  195    H    GLU  51           H        GLU  51   7.524  -4.771 -12.026
  196    HA   GLU  51           HA       GLU  51   5.025  -5.942 -11.040
  197   1HB   GLU  51          2HB       GLU  51   5.799  -7.972 -12.275
  198   2HB   GLU  51          1HB       GLU  51   5.574  -6.561 -13.301
  199   1HG   GLU  51          2HG       GLU  51   7.919  -6.185 -13.433
  200   2HG   GLU  51          1HG       GLU  51   8.241  -7.402 -12.197
  201    H    GLU  52           H        GLU  52   5.638  -8.446 -10.358
  202    HA   GLU  52           HA       GLU  52   6.988  -8.100  -7.855
  203   1HB   GLU  52          2HB       GLU  52   5.012  -9.574  -8.133
  204   2HB   GLU  52          1HB       GLU  52   5.977 -10.642  -9.140
  205   1HG   GLU  52          2HG       GLU  52   7.455 -11.103  -7.264
  206   2HG   GLU  52          1HG       GLU  52   6.522 -10.002  -6.250
  207    H    THR  53           H        THR  53   9.023  -7.420  -8.866
  208    HA   THR  53           HA       THR  53  10.815  -9.709  -9.152
  209    HB   THR  53           HB       THR  53  12.004  -8.693 -11.039
  210    HG1  THR  53           HG1      THR  53   9.857  -6.847 -11.270
  211   1HG2  THR  53          1HG2      THR  53  10.243 -10.315 -11.533
  212   2HG2  THR  53          3HG2      THR  53   9.049  -9.017 -11.579
  213   3HG2  THR  53          2HG2      THR  53  10.330  -9.082 -12.791
  214    H    ASP  54           H        ASP  54  10.453  -6.218  -8.903
  215    HA   ASP  54           HA       ASP  54  13.042  -5.596  -8.035
  216   1HB   ASP  54          2HB       ASP  54  11.511  -3.913  -8.901
  217   2HB   ASP  54          1HB       ASP  54  10.414  -4.174  -7.550
  218    HA   PRO  55           HA       PRO  55  13.252  -7.097  -3.876
  219   1HB   PRO  55          2HB       PRO  55  14.699  -4.585  -3.247
  220   2HB   PRO  55          1HB       PRO  55  15.206  -6.263  -3.032
  221   1HG   PRO  55          2HG       PRO  55  16.239  -4.774  -4.980
  222   2HG   PRO  55          1HG       PRO  55  15.862  -6.486  -5.247
  223   1HD   PRO  55          2HD       PRO  55  14.339  -4.055  -6.100
  224   2HD   PRO  55          1HD       PRO  55  14.651  -5.559  -6.991
  225    H    LEU  56           H        LEU  56  11.459  -4.429  -4.739
  226    HA   LEU  56           HA       LEU  56  10.888  -3.006  -2.470
  227   1HB   LEU  56          2HB       LEU  56   9.905  -2.590  -4.704
  228   2HB   LEU  56          1HB       LEU  56   8.865  -3.984  -4.487
  229    HG   LEU  56           HG       LEU  56   7.913  -2.804  -2.450
  230   1HD1  LEU  56          3HD1      LEU  56   9.354  -0.460  -3.683
  231   2HD1  LEU  56          2HD1      LEU  56   8.168  -0.373  -2.380
  232   3HD1  LEU  56          1HD1      LEU  56   9.708  -1.194  -2.119
  233   1HD2  LEU  56          2HD2      LEU  56   7.558  -1.605  -5.193
  234   2HD2  LEU  56          1HD2      LEU  56   6.654  -2.946  -4.492
  235   3HD2  LEU  56          3HD2      LEU  56   6.477  -1.323  -3.827
  236    H    CYS  57           H        CYS  57   9.868  -6.262  -3.275
  237    HA   CYS  57           HA       CYS  57   7.905  -6.558  -1.266
  238   1HB   CYS  57          2HB       CYS  57   8.158  -8.979  -1.659
  239   2HB   CYS  57          1HB       CYS  57   8.024  -8.081  -3.167
  240    HG   CYS  57           HG       CYS  57   9.947 -10.337  -3.057
  241    H    GLN  58           H        GLN  58  11.384  -7.088  -1.316
  242    HA   GLN  58           HA       GLN  58  11.597  -8.410   1.163
  243   1HB   GLN  58          2HB       GLN  58  13.377  -8.361  -0.565
  244   2HB   GLN  58          1HB       GLN  58  13.655  -6.664  -0.197
  245   1HG   GLN  58          2HG       GLN  58  15.313  -8.038   0.887
  246   2HG   GLN  58          1HG       GLN  58  14.280  -7.269   2.091
  247   1HE2  GLN  58          1HE2      GLN  58  12.836  -8.523   3.273
  248   2HE2  GLN  58          2HE2      GLN  58  12.968 -10.243   3.357
  249    H    ARG  59           H        ARG  59  11.975  -4.970   0.307
  250    HA   ARG  59           HA       ARG  59  12.595  -4.033   2.864
  251   1HB   ARG  59          2HB       ARG  59  11.366  -2.759   0.446
  252   2HB   ARG  59          1HB       ARG  59  11.457  -1.862   1.955
  253   1HG   ARG  59          2HG       ARG  59  13.373  -1.216   0.831
  254   2HG   ARG  59          1HG       ARG  59  13.955  -2.473   1.924
  255   1HD   ARG  59          2HD       ARG  59  14.942  -2.848  -0.218
  256   2HD   ARG  59          1HD       ARG  59  13.731  -4.103   0.047
  257    HE   ARG  59           HE       ARG  59  12.243  -2.642  -1.375
  258   1HH1  ARG  59          1HH1      ARG  59  15.713  -2.674  -1.715
  259   2HH1  ARG  59          2HH1      ARG  59  15.683  -2.172  -3.372
  260   1HH2  ARG  59          1HH2      ARG  59  12.197  -1.981  -3.556
  261   2HH2  ARG  59          2HH2      ARG  59  13.685  -1.781  -4.419
  262    H    LEU  60           H        LEU  60   9.478  -4.688   1.354
  263    HA   LEU  60           HA       LEU  60   7.950  -3.567   3.507
  264   1HB   LEU  60          2HB       LEU  60   7.171  -5.408   1.247
  265   2HB   LEU  60          1HB       LEU  60   6.034  -4.712   2.386
  266    HG   LEU  60           HG       LEU  60   7.796  -3.069   0.568
  267   1HD1  LEU  60          3HD1      LEU  60   6.260  -4.426  -0.754
  268   2HD1  LEU  60          2HD1      LEU  60   4.906  -3.862   0.224
  269   3HD1  LEU  60          1HD1      LEU  60   5.795  -2.726  -0.790
  270   1HD2  LEU  60          3HD2      LEU  60   7.045  -1.923   2.592
  271   2HD2  LEU  60          2HD2      LEU  60   6.260  -1.265   1.156
  272   3HD2  LEU  60          1HD2      LEU  60   5.376  -2.355   2.222
  273    H    ARG  61           H        ARG  61   9.200  -6.734   2.691
  274    HA   ARG  61           HA       ARG  61   7.641  -8.242   4.505
  275   1HB   ARG  61          2HB       ARG  61   8.875  -9.267   2.650
  276   2HB   ARG  61          1HB       ARG  61  10.397  -8.813   3.403
  277   1HG   ARG  61          2HG       ARG  61   9.887 -10.269   5.304
  278   2HG   ARG  61          1HG       ARG  61   8.368 -10.731   4.534
  279   1HD   ARG  61          2HD       ARG  61   9.605 -11.658   2.643
  280   2HD   ARG  61          1HD       ARG  61  11.125 -11.180   3.396
  281    HE   ARG  61           HE       ARG  61   9.913 -12.753   5.263
  282   1HH1  ARG  61          1HH1      ARG  61  10.788 -13.159   1.914
  283   2HH1  ARG  61          2HH1      ARG  61  11.048 -14.866   2.055
  284   1HH2  ARG  61          1HH2      ARG  61  10.255 -15.001   5.457
  285   2HH2  ARG  61          2HH2      ARG  61  10.747 -15.911   4.068
  286    H    GLU  62           H        GLU  62  10.779  -6.642   4.806
  287    HA   GLU  62           HA       GLU  62  11.469  -7.614   7.343
  288   1HB   GLU  62          2HB       GLU  62  13.038  -6.436   5.845
  289   2HB   GLU  62          1HB       GLU  62  12.154  -4.940   6.107
  290   1HG   GLU  62          2HG       GLU  62  12.725  -5.029   8.487
  291   2HG   GLU  62          1HG       GLU  62  13.631  -6.514   8.205
  292    H    ASN  63           H        ASN  63  10.069  -4.434   6.526
  293    HA   ASN  63           HA       ASN  63   9.309  -4.026   9.281
  294   1HB   ASN  63          2HB       ASN  63   8.778  -2.359   6.812
  295   2HB   ASN  63          1HB       ASN  63   8.372  -1.876   8.457
  296   1HD2  ASN  63          1HD2      ASN  63  10.932  -2.430   6.174
  297   2HD2  ASN  63          2HD2      ASN  63  12.178  -1.636   7.071
  298    H    ASP  64           H        ASP  64   7.807  -5.622   9.732
  299    HA   ASP  64           HA       ASP  64   5.604  -6.330   8.186
  300   1HB   ASP  64          2HB       ASP  64   6.317  -7.615  10.151
  301   2HB   ASP  64          1HB       ASP  64   5.841  -6.289  11.206
  302    H    ILE  65           H        ILE  65   4.584  -4.562   7.266
  303    HA   ILE  65           HA       ILE  65   3.410  -2.571   9.070
  304    HB   ILE  65           HB       ILE  65   3.594  -2.568   6.055
  305   1HG1  ILE  65          2HG1      ILE  65   5.772  -2.251   7.125
  306   2HG1  ILE  65          1HG1      ILE  65   5.230  -0.760   6.369
  307   1HG2  ILE  65          3HG2      ILE  65   2.556  -0.481   7.963
  308   2HG2  ILE  65          2HG2      ILE  65   2.857  -0.214   6.246
  309   3HG2  ILE  65          1HG2      ILE  65   1.629  -1.373   6.756
  310   1HD1  ILE  65          3HD1      ILE  65   4.539   0.088   8.553
  311   2HD1  ILE  65          2HD1      ILE  65   5.097  -1.406   9.306
  312   3HD1  ILE  65          1HD1      ILE  65   6.253  -0.329   8.521
  313    H    VAL  66           H        VAL  66   1.268  -2.328   9.351
  314    HA   VAL  66           HA       VAL  66  -0.484  -4.292   8.032
  315    HB   VAL  66           HB       VAL  66  -0.297  -4.434  10.517
  316   1HG1  VAL  66          3HG1      VAL  66  -0.023  -2.069  11.009
  317   2HG1  VAL  66          2HG1      VAL  66  -1.664  -1.748  10.445
  318   3HG1  VAL  66          1HG1      VAL  66  -1.404  -2.731  11.886
  319   1HG2  VAL  66          2HG2      VAL  66  -2.280  -5.257   9.323
  320   2HG2  VAL  66          1HG2      VAL  66  -2.671  -4.666  10.938
  321   3HG2  VAL  66          3HG2      VAL  66  -3.041  -3.679   9.524
  322    H    GLY  67           H        GLY  67  -2.753  -3.548   7.685
  323   1HA   GLY  67          1HA       GLY  67  -4.242  -2.106   6.696
  324   2HA   GLY  67          2HA       GLY  67  -2.833  -1.260   6.074
  325    H    ASP  68           H        ASP  68  -3.529  -1.675   9.485
  326    HA   ASP  68           HA       ASP  68  -4.724   0.918   9.796
  327   1HB   ASP  68          2HB       ASP  68  -5.296  -0.988  11.266
  328   2HB   ASP  68          1HB       ASP  68  -3.651  -0.978  11.895
  329    H    LEU  69           H        LEU  69  -1.553  -0.195   9.500
  330    HA   LEU  69           HA       LEU  69  -0.433   2.053  11.015
  331   1HB   LEU  69          2HB       LEU  69   0.488  -0.142  11.515
  332   2HB   LEU  69          1HB       LEU  69   0.879  -0.389   9.826
  333    HG   LEU  69           HG       LEU  69   2.497   1.476   9.950
  334   1HD1  LEU  69          2HD1      LEU  69   1.470   2.742  11.761
  335   2HD1  LEU  69          1HD1      LEU  69   1.842   1.440  12.892
  336   3HD1  LEU  69          3HD1      LEU  69   3.148   2.352  12.138
  337   1HD2  LEU  69          2HD2      LEU  69   3.228  -0.833  10.270
  338   2HD2  LEU  69          1HD2      LEU  69   4.180   0.282  11.251
  339   3HD2  LEU  69          3HD2      LEU  69   2.916  -0.693  12.000
  340    H    LEU  70           H        LEU  70  -1.107   1.043   7.823
  341    HA   LEU  70           HA       LEU  70   0.937   2.279   6.380
  342   1HB   LEU  70          2HB       LEU  70  -1.929   1.686   5.700
  343   2HB   LEU  70          1HB       LEU  70  -0.851   2.456   4.552
  344    HG   LEU  70           HG       LEU  70  -0.367  -0.252   5.800
  345   1HD1  LEU  70          1HD1      LEU  70  -2.321  -0.276   4.333
  346   2HD1  LEU  70          3HD1      LEU  70  -1.368   0.462   3.045
  347   3HD1  LEU  70          2HD1      LEU  70  -0.972  -1.159   3.619
  348   1HD2  LEU  70          2HD2      LEU  70   1.017   1.188   3.537
  349   2HD2  LEU  70          1HD2      LEU  70   1.680   0.903   5.147
  350   3HD2  LEU  70          3HD2      LEU  70   1.355  -0.458   4.073
  351    HA   PRO  71           HA       PRO  71  -1.692   6.296   6.208
  352   1HB   PRO  71          2HB       PRO  71  -3.784   6.612   7.864
  353   2HB   PRO  71          1HB       PRO  71  -3.939   5.782   6.311
  354   1HG   PRO  71          2HG       PRO  71  -3.653   4.623   9.056
  355   2HG   PRO  71          1HG       PRO  71  -4.742   4.134   7.744
  356   1HD   PRO  71          2HD       PRO  71  -2.404   2.850   8.305
  357   2HD   PRO  71          1HD       PRO  71  -3.112   2.916   6.680
  358    H    GLU  72           H        GLU  72  -1.008   4.744   9.238
  359    HA   GLU  72           HA       GLU  72  -0.822   7.132  10.798
  360   1HB   GLU  72          2HB       GLU  72   0.292   4.367  11.289
  361   2HB   GLU  72          1HB       GLU  72   0.291   5.670  12.468
  362   1HG   GLU  72          2HG       GLU  72  -2.162   4.438  11.238
  363   2HG   GLU  72          1HG       GLU  72  -1.522   4.067  12.837
  364    H    LEU  73           H        LEU  73   0.995   6.164   8.276
  365    HA   LEU  73           HA       LEU  73   3.477   7.291   9.397
  366   1HB   LEU  73          2HB       LEU  73   3.077   5.362   7.114
  367   2HB   LEU  73          1HB       LEU  73   4.610   6.130   7.481
  368    HG   LEU  73           HG       LEU  73   3.121   4.343   9.405
  369   1HD1  LEU  73          2HD1      LEU  73   5.427   3.708   7.572
  370   2HD1  LEU  73          1HD1      LEU  73   4.803   2.651   8.838
  371   3HD1  LEU  73          3HD1      LEU  73   3.789   3.065   7.456
  372   1HD2  LEU  73          3HD2      LEU  73   4.626   5.947  10.465
  373   2HD2  LEU  73          2HD2      LEU  73   5.249   4.303  10.603
  374   3HD2  LEU  73          1HD2      LEU  73   5.942   5.411   9.419
  375    H    CYS  74           H        CYS  74   4.879   8.291   7.590
  376    HA   CYS  74           HA       CYS  74   3.189   9.880   5.777
  377   1HB   CYS  74          2HB       CYS  74   5.536  10.893   7.400
  378   2HB   CYS  74          1HB       CYS  74   4.623  11.833   6.224
  379    HG   CYS  74           HG       CYS  74   4.088  12.292   9.112
  380    H    LEU  75           H        LEU  75   5.099  11.287   4.443
  381    HA   LEU  75           HA       LEU  75   6.115   9.375   2.636
  382   1HB   LEU  75          2HB       LEU  75   6.726  12.308   2.974
  383   2HB   LEU  75          1HB       LEU  75   7.353  11.335   1.657
  384    HG   LEU  75           HG       LEU  75   4.428  11.857   2.202
  385   1HD1  LEU  75          1HD1      LEU  75   6.285  12.966   0.102
  386   2HD1  LEU  75          3HD1      LEU  75   4.537  13.199   0.143
  387   3HD1  LEU  75          2HD1      LEU  75   5.545  13.859   1.430
  388   1HD2  LEU  75          2HD2      LEU  75   5.799  10.422  -0.069
  389   2HD2  LEU  75          1HD2      LEU  75   4.774   9.691   1.166
  390   3HD2  LEU  75          3HD2      LEU  75   4.083  10.820   0.001
  391    H    GLN  76           H        GLN  76   7.283  10.386   5.622
  392    HA   GLN  76           HA       GLN  76  10.070  10.327   5.195
  393   1HB   GLN  76          2HB       GLN  76   9.043  11.266   7.223
  394   2HB   GLN  76          1HB       GLN  76   8.508   9.661   7.698
  395   1HG   GLN  76          2HG       GLN  76  10.473  10.289   8.944
  396   2HG   GLN  76          1HG       GLN  76  10.842   8.942   7.871
  397   1HE2  GLN  76          1HE2      GLN  76  12.194   9.267   6.109
  398   2HE2  GLN  76          2HE2      GLN  76  13.194  10.668   5.961
  399    H    ASP  77           H        ASP  77   8.013   7.829   6.711
  400    HA   ASP  77           HA       ASP  77  10.007   5.820   6.531
  401   1HB   ASP  77          2HB       ASP  77   8.226   5.707   8.204
  402   2HB   ASP  77          1HB       ASP  77   7.018   5.559   6.931
  403    H    CYS  78           H        CYS  78   7.370   6.820   4.448
  404    HA   CYS  78           HA       CYS  78   7.288   4.589   2.746
  405   1HB   CYS  78          2HB       CYS  78   6.677   7.499   2.190
  406   2HB   CYS  78          1HB       CYS  78   6.306   6.185   1.081
  407    HG   CYS  78           HG       CYS  78   4.918   5.075   3.642
  408    H    GLN  79           H        GLN  79   9.255   7.525   2.665
  409    HA   GLN  79           HA       GLN  79  10.531   6.936   0.196
  410   1HB   GLN  79          2HB       GLN  79  10.415   9.210   1.198
  411   2HB   GLN  79          1HB       GLN  79  11.524   8.682   2.455
  412   1HG   GLN  79          2HG       GLN  79  13.261   8.315   0.823
  413   2HG   GLN  79          1HG       GLN  79  12.152   8.715  -0.488
  414   1HE2  GLN  79          1HE2      GLN  79  11.539  10.858  -0.800
  415   2HE2  GLN  79          2HE2      GLN  79  12.416  12.174  -0.103
  416    H    ASP  80           H        ASP  80  11.199   6.189   3.553
  417    HA   ASP  80           HA       ASP  80  13.834   5.207   3.168
  418   1HB   ASP  80          2HB       ASP  80  12.962   5.882   5.379
  419   2HB   ASP  80          1HB       ASP  80  11.836   4.530   5.340
  420    H    LEU  81           H        LEU  81  10.703   3.917   2.572
  421    HA   LEU  81           HA       LEU  81  11.332   1.155   2.699
  422   1HB   LEU  81          2HB       LEU  81   9.084   2.830   1.978
  423   2HB   LEU  81          1HB       LEU  81   9.253   1.495   0.863
  424    HG   LEU  81           HG       LEU  81   7.721   0.856   2.589
  425   1HD1  LEU  81          2HD1      LEU  81   9.253  -0.882   1.797
  426   2HD1  LEU  81          1HD1      LEU  81  10.379  -0.475   3.092
  427   3HD1  LEU  81          3HD1      LEU  81   8.788  -1.133   3.479
  428   1HD2  LEU  81          3HD2      LEU  81   9.895   1.660   4.512
  429   2HD2  LEU  81          2HD2      LEU  81   8.308   2.406   4.315
  430   3HD2  LEU  81          1HD2      LEU  81   8.439   0.772   4.963
  431    H    CYS  82           H        CYS  82  11.951   3.626   0.403
  432    HA   CYS  82           HA       CYS  82  12.601   1.644  -1.671
  433   1HB   CYS  82          2HB       CYS  82  11.019   3.435  -2.325
  434   2HB   CYS  82          1HB       CYS  82  12.245   4.638  -1.942
  435    HG   CYS  82           HG       CYS  82  12.865   2.229  -4.271
  436    H    ASP  83           H        ASP  83  14.543   2.189  -3.010
  437    HA   ASP  83           HA       ASP  83  16.838   2.311  -1.406
  438   1HB   ASP  83          2HB       ASP  83  16.534   2.715  -4.388
  439   2HB   ASP  83          1HB       ASP  83  18.071   2.479  -3.561
  440    H    GLY  84           H        GLY  84  14.859   4.808  -2.616
  441   1HA   GLY  84          1HA       GLY  84  17.002   6.802  -2.426
  442   2HA   GLY  84          2HA       GLY  84  15.646   6.932  -1.315
  443    H    ASP  85           H        ASP  85  14.276   5.682  -3.963
  444    HA   ASP  85           HA       ASP  85  14.121   8.063  -5.592
  445   1HB   ASP  85          2HB       ASP  85  14.078   5.763  -6.562
  446   2HB   ASP  85          1HB       ASP  85  12.509   5.511  -5.802
  447    H    LEU  86           H        LEU  86  12.846   9.709  -5.116
  448    HA   LEU  86           HA       LEU  86  10.883   9.655  -3.093
  449   1HB   LEU  86          2HB       LEU  86  12.008  11.705  -3.619
  450   2HB   LEU  86          1HB       LEU  86  11.454  11.647  -5.282
  451    HG   LEU  86           HG       LEU  86   9.126  11.973  -4.485
  452   1HD1  LEU  86          2HD1      LEU  86   9.391  11.050  -2.240
  453   2HD1  LEU  86          1HD1      LEU  86  10.434  12.403  -1.802
  454   3HD1  LEU  86          3HD1      LEU  86   8.736  12.687  -2.190
  455   1HD2  LEU  86          2HD2      LEU  86  10.471  13.866  -5.235
  456   2HD2  LEU  86          1HD2      LEU  86   9.381  14.337  -3.932
  457   3HD2  LEU  86          3HD2      LEU  86  11.093  14.080  -3.599
  458    H    ASN  87           H        ASN  87  10.603   9.678  -6.634
  459    HA   ASN  87           HA       ASN  87   7.872   9.874  -6.920
  460   1HB   ASN  87          2HB       ASN  87   9.818   8.227  -8.544
  461   2HB   ASN  87          1HB       ASN  87   8.171   8.595  -9.043
  462   1HD2  ASN  87          1HD2      ASN  87  10.726   9.286 -10.281
  463   2HD2  ASN  87          2HD2      ASN  87  10.736  11.008 -10.419
  464    H    LYS  88           H        LYS  88   9.773   7.069  -6.027
  465    HA   LYS  88           HA       LYS  88   7.745   5.127  -6.334
  466   1HB   LYS  88          2HB       LYS  88  10.110   4.538  -6.174
  467   2HB   LYS  88          1HB       LYS  88  10.170   5.151  -4.528
  468   1HG   LYS  88          2HG       LYS  88  10.044   2.804  -4.364
  469   2HG   LYS  88          1HG       LYS  88   8.444   3.415  -3.938
  470   1HD   LYS  88          2HD       LYS  88   8.105   1.552  -5.372
  471   2HD   LYS  88          1HD       LYS  88   7.768   2.998  -6.327
  472   1HE   LYS  88          2HE       LYS  88   9.112   1.296  -7.536
  473   2HE   LYS  88          1HE       LYS  88   9.912   2.861  -7.398
  474   1HZ   LYS  88          3HZ       LYS  88  11.199   1.987  -5.540
  475   2HZ   LYS  88          2HZ       LYS  88  10.443   0.482  -5.700
  476   3HZ   LYS  88          1HZ       LYS  88  11.441   1.062  -6.936
  477    H    ALA  89           H        ALA  89   8.884   6.925  -3.485
  478    HA   ALA  89           HA       ALA  89   7.062   5.788  -1.659
  479   1HB   ALA  89          3HB       ALA  89   9.139   6.970  -1.019
  480   2HB   ALA  89          1HB       ALA  89   7.715   7.544  -0.149
  481   3HB   ALA  89          2HB       ALA  89   8.378   8.492  -1.480
  482    H    ILE  90           H        ILE  90   6.846   8.592  -3.780
  483    HA   ILE  90           HA       ILE  90   4.576   9.793  -2.664
  484    HB   ILE  90           HB       ILE  90   5.510   9.769  -5.536
  485   1HG1  ILE  90          2HG1      ILE  90   5.801  11.846  -3.352
  486   2HG1  ILE  90          1HG1      ILE  90   7.075  10.755  -3.885
  487   1HG2  ILE  90          1HG2      ILE  90   3.418  11.484  -4.203
  488   2HG2  ILE  90          3HG2      ILE  90   4.083  11.770  -5.811
  489   3HG2  ILE  90          2HG2      ILE  90   3.156  10.305  -5.488
  490   1HD1  ILE  90          1HD1      ILE  90   7.011  11.777  -6.104
  491   2HD1  ILE  90          3HD1      ILE  90   5.743  12.874  -5.556
  492   3HD1  ILE  90          2HD1      ILE  90   7.355  12.961  -4.844
  493    H    LYS  91           H        LYS  91   4.712   7.649  -5.526
  494    HA   LYS  91           HA       LYS  91   1.946   7.362  -5.802
  495   1HB   LYS  91          2HB       LYS  91   4.122   5.406  -6.570
  496   2HB   LYS  91          1HB       LYS  91   2.464   5.365  -7.154
  497   1HG   LYS  91          2HG       LYS  91   4.483   7.543  -7.654
  498   2HG   LYS  91          1HG       LYS  91   3.920   6.342  -8.817
  499   1HD   LYS  91          2HD       LYS  91   2.169   8.406  -7.480
  500   2HD   LYS  91          1HD       LYS  91   2.844   8.554  -9.103
  501   1HE   LYS  91          2HE       LYS  91   1.002   6.349  -8.184
  502   2HE   LYS  91          1HE       LYS  91   0.501   7.770  -9.099
  503   1HZ   LYS  91          3HZ       LYS  91   1.968   7.076 -10.896
  504   2HZ   LYS  91          2HZ       LYS  91   2.431   5.707 -10.018
  505   3HZ   LYS  91          1HZ       LYS  91   0.831   5.871 -10.545
  506    H    PHE  92           H        PHE  92   4.206   5.794  -3.677
  507    HA   PHE  92           HA       PHE  92   2.657   3.557  -2.950
  508   1HB   PHE  92          2HB       PHE  92   5.051   3.758  -2.436
  509   2HB   PHE  92          1HB       PHE  92   4.709   5.083  -1.332
  510    HD1  PHE  92           HD1      PHE  92   3.223   1.687  -1.827
  511    HD2  PHE  92           HD2      PHE  92   5.066   4.451   0.834
  512    HE1  PHE  92           HE1      PHE  92   2.972   0.075   0.017
  513    HE2  PHE  92           HE2      PHE  92   4.821   2.844   2.681
  514    HZ   PHE  92           HZ       PHE  92   3.774   0.652   2.272
  515    H    LYS  93           H        LYS  93   3.173   6.570  -1.119
  516    HA   LYS  93           HA       LYS  93   1.161   6.129   0.772
  517   1HB   LYS  93          2HB       LYS  93   2.974   7.793   1.010
  518   2HB   LYS  93          1HB       LYS  93   2.209   8.782  -0.226
  519   1HG   LYS  93          2HG       LYS  93   0.288   9.137   1.169
  520   2HG   LYS  93          1HG       LYS  93   0.912   8.014   2.378
  521   1HD   LYS  93          2HD       LYS  93   2.843   9.500   2.728
  522   2HD   LYS  93          1HD       LYS  93   2.164  10.634   1.559
  523   1HE   LYS  93          2HE       LYS  93   1.686  11.283   3.880
  524   2HE   LYS  93          1HE       LYS  93   0.218  10.963   2.958
  525   1HZ   LYS  93          3HZ       LYS  93   1.511   9.077   4.854
  526   2HZ   LYS  93          2HZ       LYS  93   0.118   9.984   5.166
  527   3HZ   LYS  93          1HZ       LYS  93   0.094   8.780   3.979
  528    H    ILE  94           H        ILE  94   1.004   7.278  -2.496
  529    HA   ILE  94           HA       ILE  94  -1.514   8.579  -2.342
  530    HB   ILE  94           HB       ILE  94   0.079   7.468  -4.634
  531   1HG1  ILE  94          2HG1      ILE  94  -0.833  10.277  -3.965
  532   2HG1  ILE  94          1HG1      ILE  94   0.745   9.614  -3.550
  533   1HG2  ILE  94          1HG2      ILE  94  -2.654   8.738  -4.795
  534   2HG2  ILE  94          3HG2      ILE  94  -1.607   8.386  -6.172
  535   3HG2  ILE  94          2HG2      ILE  94  -2.250   7.067  -5.191
  536   1HD1  ILE  94          3HD1      ILE  94   1.248   9.333  -5.921
  537   2HD1  ILE  94          2HD1      ILE  94  -0.331   9.999  -6.335
  538   3HD1  ILE  94          1HD1      ILE  94   0.869  11.009  -5.529
  539    H    LEU  95           H        LEU  95  -0.740   5.493  -3.971
  540    HA   LEU  95           HA       LEU  95  -3.292   4.590  -4.386
  541   1HB   LEU  95          2HB       LEU  95  -0.908   2.905  -3.615
  542   2HB   LEU  95          1HB       LEU  95  -2.366   2.312  -4.386
  543    HG   LEU  95           HG       LEU  95  -0.380   4.236  -5.602
  544   1HD1  LEU  95          3HD1      LEU  95   0.399   1.898  -5.408
  545   2HD1  LEU  95          2HD1      LEU  95  -1.016   1.381  -6.325
  546   3HD1  LEU  95          1HD1      LEU  95   0.190   2.422  -7.079
  547   1HD2  LEU  95          2HD2      LEU  95  -2.890   3.020  -6.751
  548   2HD2  LEU  95          1HD2      LEU  95  -2.634   4.721  -6.366
  549   3HD2  LEU  95          3HD2      LEU  95  -1.701   3.958  -7.654
  550    H    ILE  96           H        ILE  96  -1.471   4.613  -1.411
  551    HA   ILE  96           HA       ILE  96  -3.277   2.888  -0.012
  552    HB   ILE  96           HB       ILE  96  -1.149   4.755   1.035
  553   1HG1  ILE  96          2HG1      ILE  96  -1.098   1.744   0.825
  554   2HG1  ILE  96          1HG1      ILE  96  -0.466   2.800  -0.434
  555   1HG2  ILE  96          3HG2      ILE  96  -2.703   2.607   2.474
  556   2HG2  ILE  96          2HG2      ILE  96  -1.335   3.503   3.136
  557   3HG2  ILE  96          1HG2      ILE  96  -2.833   4.345   2.740
  558   1HD1  ILE  96          1HD1      ILE  96   0.485   2.842   2.415
  559   2HD1  ILE  96          3HD1      ILE  96   1.241   1.903   1.128
  560   3HD1  ILE  96          2HD1      ILE  96   1.200   3.662   1.027
  561    H    ASN  97           H        ASN  97  -2.842   6.379  -0.296
  562    HA   ASN  97           HA       ASN  97  -4.712   7.099   1.700
  563   1HB   ASN  97          2HB       ASN  97  -3.012   8.661   0.833
  564   2HB   ASN  97          1HB       ASN  97  -3.829   8.678  -0.728
  565   1HD2  ASN  97          1HD2      ASN  97  -4.210  10.875  -0.648
  566   2HD2  ASN  97          2HD2      ASN  97  -5.380  11.577   0.413
  567    H    LYS  98           H        LYS  98  -4.998   6.750  -1.822
  568    HA   LYS  98           HA       LYS  98  -7.697   7.524  -2.010
  569   1HB   LYS  98          2HB       LYS  98  -6.153   5.646  -3.808
  570   2HB   LYS  98          1HB       LYS  98  -7.656   6.462  -4.216
  571   1HG   LYS  98          2HG       LYS  98  -5.053   7.845  -3.597
  572   2HG   LYS  98          1HG       LYS  98  -5.685   7.535  -5.216
  573   1HD   LYS  98          2HD       LYS  98  -7.669   8.885  -4.682
  574   2HD   LYS  98          1HD       LYS  98  -7.003   9.214  -3.082
  575   1HE   LYS  98          2HE       LYS  98  -5.091  10.334  -4.092
  576   2HE   LYS  98          1HE       LYS  98  -5.712   9.969  -5.701
  577   1HZ   LYS  98          3HZ       LYS  98  -7.064  11.673  -3.677
  578   2HZ   LYS  98          2HZ       LYS  98  -6.230  12.235  -5.037
  579   3HZ   LYS  98          1HZ       LYS  98  -7.646  11.332  -5.229
  580    H    MET  99           H        MET  99  -6.241   4.270  -1.950
  581    HA   MET  99           HA       MET  99  -8.614   2.811  -1.981
  582   1HB   MET  99          2HB       MET  99  -6.291   1.908  -2.291
  583   2HB   MET  99          1HB       MET  99  -6.070   2.024  -0.552
  584   1HG   MET  99          2HG       MET  99  -8.330   0.457  -1.732
  585   2HG   MET  99          1HG       MET  99  -6.720  -0.237  -1.559
  586   1HE   MET  99          1HE       MET  99  -7.820  -2.176  -0.164
  587   2HE   MET  99          3HE       MET  99  -8.704  -1.948   1.346
  588   3HE   MET  99          2HE       MET  99  -9.428  -1.451  -0.185
  589    H    ARG 100           H        ARG 100  -6.902   4.339   0.673
  590    HA   ARG 100           HA       ARG 100  -8.268   3.135   2.809
  591   1HB   ARG 100          2HB       ARG 100  -6.220   4.409   3.142
  592   2HB   ARG 100          1HB       ARG 100  -7.020   5.881   2.613
  593   1HG   ARG 100          2HG       ARG 100  -8.536   5.721   4.550
  594   2HG   ARG 100          1HG       ARG 100  -7.650   4.295   5.093
  595   1HD   ARG 100          2HD       ARG 100  -5.624   5.601   5.324
  596   2HD   ARG 100          1HD       ARG 100  -6.438   7.025   4.676
  597    HE   ARG 100           HE       ARG 100  -7.736   5.968   6.997
  598   1HH1  ARG 100          1HH1      ARG 100  -5.128   7.999   5.894
  599   2HH1  ARG 100          2HH1      ARG 100  -5.067   8.933   7.351
  600   1HH2  ARG 100          1HH2      ARG 100  -7.663   7.192   8.917
  601   2HH2  ARG 100          2HH2      ARG 100  -6.507   8.473   9.070
  602    H    ASP 101           H        ASP 101  -8.962   6.070   0.950
  603    HA   ASP 101           HA       ASP 101 -11.250   6.805   2.471
  604   1HB   ASP 101          2HB       ASP 101 -10.052   8.468   1.164
  605   2HB   ASP 101          1HB       ASP 101 -10.397   7.590  -0.323
  606    H    SER 102           H        SER 102 -11.100   5.714  -0.922
  607    HA   SER 102           HA       SER 102 -13.112   3.728  -0.558
  608   1HB   SER 102          2HB       SER 102 -14.859   4.780  -1.959
  609   2HB   SER 102          1HB       SER 102 -14.575   5.687  -0.474
  610    HG   SER 102           HG       SER 102 -14.526   7.230  -1.976
  611    H    LYS 103           H        LYS 103 -13.651   2.625  -2.574
  612    HA   LYS 103           HA       LYS 103 -11.946   3.243  -4.860
  613   1HB   LYS 103          2HB       LYS 103 -10.762   1.644  -3.244
  614   2HB   LYS 103          1HB       LYS 103 -11.972   0.458  -3.708
  615   1HG   LYS 103          2HG       LYS 103 -10.008   0.075  -5.003
  616   2HG   LYS 103          1HG       LYS 103 -11.249   0.732  -6.071
  617   1HD   LYS 103          2HD       LYS 103 -10.224   2.901  -6.024
  618   2HD   LYS 103          1HD       LYS 103  -9.082   2.387  -4.780
  619   1HE   LYS 103          2HE       LYS 103  -8.076   0.810  -6.343
  620   2HE   LYS 103          1HE       LYS 103  -9.244   1.273  -7.581
  621   1HZ   LYS 103          1HZ       LYS 103  -7.247   3.096  -6.349
  622   2HZ   LYS 103          3HZ       LYS 103  -7.099   2.375  -7.873
  623   3HZ   LYS 103          2HZ       LYS 103  -8.333   3.496  -7.583
  624    H    LEU 104           H        LEU 104 -14.811   3.350  -4.352
  625    HA   LEU 104           HA       LEU 104 -15.757   2.106  -6.703
  626   1HB   LEU 104          2HB       LEU 104 -15.560   0.339  -4.690
  627   2HB   LEU 104          1HB       LEU 104 -17.164   0.967  -4.365
  628    HG   LEU 104           HG       LEU 104 -17.775   0.403  -6.741
  629   1HD1  LEU 104          2HD1      LEU 104 -15.523   0.302  -7.666
  630   2HD1  LEU 104          1HD1      LEU 104 -15.159  -1.090  -6.645
  631   3HD1  LEU 104          3HD1      LEU 104 -16.378  -1.221  -7.912
  632   1HD2  LEU 104          2HD2      LEU 104 -18.448  -0.999  -4.868
  633   2HD2  LEU 104          1HD2      LEU 104 -18.068  -1.982  -6.282
  634   3HD2  LEU 104          3HD2      LEU 104 -16.916  -1.867  -4.953
  635    H    GLU 105           H        GLU 105 -16.645   3.308  -3.492
  636    HA   GLU 105           HA       GLU 105 -19.066   4.525  -4.577
  637   1HB   GLU 105          2HB       GLU 105 -18.990   3.226  -2.376
  638   2HB   GLU 105          1HB       GLU 105 -18.130   4.610  -1.712
  639   1HG   GLU 105          2HG       GLU 105 -20.449   4.778  -1.145
  640   2HG   GLU 105          1HG       GLU 105 -20.050   6.042  -2.307
  641    H    TRP 106           H        TRP 106 -16.582   5.578  -5.456
  642    HA   TRP 106           HA       TRP 106 -16.425   8.147  -4.056
  643   1HB   TRP 106          2HB       TRP 106 -14.400   8.374  -5.771
  644   2HB   TRP 106          1HB       TRP 106 -14.233   7.577  -4.217
  645    HD1  TRP 106           HD1      TRP 106 -12.397   5.879  -4.781
  646    HE1  TRP 106           HE1      TRP 106 -12.176   3.895  -6.399
  647    HE3  TRP 106           HE3      TRP 106 -16.638   6.585  -7.554
  648    HZ2  TRP 106           HZ2      TRP 106 -13.594   2.778  -8.556
  649    HZ3  TRP 106           HZ3      TRP 106 -17.128   5.016  -9.379
  650    HH2  TRP 106           HH2      TRP 106 -15.635   3.148  -9.869
  651    H    LYS 107           H        LYS 107 -18.455   7.161  -6.123
  652    HA   LYS 107           HA       LYS 107 -18.076   9.298  -8.106
  653   1HB   LYS 107          2HB       LYS 107 -18.379   6.995  -8.988
  654   2HB   LYS 107          1HB       LYS 107 -19.960   6.936  -8.220
  655   1HG   LYS 107          2HG       LYS 107 -20.345   7.443 -10.487
  656   2HG   LYS 107          1HG       LYS 107 -20.577   8.952  -9.602
  657   1HD   LYS 107          2HD       LYS 107 -18.285   9.630 -10.203
  658   2HD   LYS 107          1HD       LYS 107 -18.104   8.140 -11.131
  659   1HE   LYS 107          2HE       LYS 107 -19.998   8.829 -12.550
  660   2HE   LYS 107          1HE       LYS 107 -20.107  10.337 -11.645
  661   1HZ   LYS 107          2HZ       LYS 107 -17.828  10.845 -12.354
  662   2HZ   LYS 107          1HZ       LYS 107 -17.804   9.436 -13.288
  663   3HZ   LYS 107          3HZ       LYS 107 -18.882  10.684 -13.667
  664    H    ASP 108           H        ASP 108 -18.806  11.006  -6.831
  665    HA   ASP 108           HA       ASP 108 -21.706  10.979  -6.315
  666   1HB   ASP 108          2HB       ASP 108 -19.581  12.361  -4.661
  667   2HB   ASP 108          1HB       ASP 108 -21.318  12.457  -4.384

  No H/Q in entry =         667
  Start of MODEL   22
    1    H1   GLY  24          3H        GLY  24 -16.525  -4.200   8.681
    2    H2   GLY  24          2H        GLY  24 -16.299  -5.235  10.001
    3    H3   GLY  24          1H        GLY  24 -16.107  -5.820   8.426
    4   1HA   GLY  24          2HA       GLY  24 -18.647  -4.875   9.640
    5   2HA   GLY  24          1HA       GLY  24 -18.214  -6.552   9.345
    6    H    SER  25           H        SER  25 -16.999  -6.167   6.796
    7    HA   SER  25           HA       SER  25 -19.196  -5.135   5.150
    8   1HB   SER  25          2HB       SER  25 -16.370  -5.900   4.377
    9   2HB   SER  25          1HB       SER  25 -17.580  -5.231   3.283
   10    HG   SER  25           HG       SER  25 -16.145  -3.637   4.126
   11    H    HIS  26           H        HIS  26 -19.225  -6.453   2.920
   12    HA   HIS  26           HA       HIS  26 -19.229  -9.330   3.486
   13   1HB   HIS  26          2HB       HIS  26 -21.578  -7.803   2.344
   14   2HB   HIS  26          1HB       HIS  26 -21.465  -9.557   2.442
   15    HD1  HIS  26           HD1      HIS  26 -22.223  -6.538   4.453
   16    HD2  HIS  26           HD2      HIS  26 -21.697 -10.615   5.070
   17    HE1  HIS  26           HE1      HIS  26 -23.110  -6.988   6.762
   18    HE2  HIS  26           HE2      HIS  26 -22.703  -9.445   7.147
   19    H    MET  27           H        MET  27 -19.450  -6.738   1.106
   20    HA   MET  27           HA       MET  27 -18.470  -8.608  -0.948
   21   1HB   MET  27          2HB       MET  27 -19.968  -6.003  -1.282
   22   2HB   MET  27          1HB       MET  27 -19.358  -6.993  -2.602
   23   1HG   MET  27          2HG       MET  27 -20.834  -8.794  -1.997
   24   2HG   MET  27          1HG       MET  27 -21.377  -7.914  -0.570
   25   1HE   MET  27          1HE       MET  27 -20.652  -6.431  -4.135
   26   2HE   MET  27          3HE       MET  27 -21.357  -8.004  -4.509
   27   3HE   MET  27          2HE       MET  27 -22.244  -6.526  -4.888
   28    H    ASN  28           H        ASN  28 -18.073  -5.381   0.434
   29    HA   ASN  28           HA       ASN  28 -15.724  -4.855  -1.178
   30   1HB   ASN  28          2HB       ASN  28 -17.020  -3.268   1.047
   31   2HB   ASN  28          1HB       ASN  28 -15.644  -2.717   0.097
   32   1HD2  ASN  28          1HD2      ASN  28 -15.942  -2.122  -2.039
   33   2HD2  ASN  28          2HD2      ASN  28 -17.508  -1.815  -2.702
   34    H    ASN  29           H        ASN  29 -13.830  -3.816   0.164
   35    HA   ASN  29           HA       ASN  29 -13.266  -5.298   2.604
   36   1HB   ASN  29          2HB       ASN  29 -10.962  -5.897   1.595
   37   2HB   ASN  29          1HB       ASN  29 -12.351  -6.878   1.137
   38   1HD2  ASN  29          1HD2      ASN  29 -11.393  -7.540  -0.773
   39   2HD2  ASN  29          2HD2      ASN  29 -11.201  -6.485  -2.127
   40    H    GLU  30           H        GLU  30 -13.060  -3.487   3.820
   41    HA   GLU  30           HA       GLU  30 -11.057  -1.504   2.962
   42   1HB   GLU  30          2HB       GLU  30 -12.249   0.087   4.457
   43   2HB   GLU  30          1HB       GLU  30 -13.231  -0.482   3.115
   44   1HG   GLU  30          2HG       GLU  30 -14.324  -2.084   4.620
   45   2HG   GLU  30          1HG       GLU  30 -13.363  -1.458   5.960
   46    H    ASP  31           H        ASP  31 -12.330  -3.317   5.709
   47    HA   ASP  31           HA       ASP  31 -10.712  -2.408   7.743
   48   1HB   ASP  31          2HB       ASP  31 -11.619  -5.256   7.272
   49   2HB   ASP  31          1HB       ASP  31 -11.049  -4.604   8.805
   50    H    PHE  32           H        PHE  32  -8.601  -2.404   8.095
   51    HA   PHE  32           HA       PHE  32  -6.840  -3.886   6.331
   52   1HB   PHE  32          2HB       PHE  32  -6.213  -1.942   8.563
   53   2HB   PHE  32          1HB       PHE  32  -5.035  -2.622   7.445
   54    HD1  PHE  32           HD1      PHE  32  -7.543  -0.091   7.971
   55    HD2  PHE  32           HD2      PHE  32  -5.163  -2.035   5.027
   56    HE1  PHE  32           HE1      PHE  32  -7.972   1.760   6.409
   57    HE2  PHE  32           HE2      PHE  32  -5.588  -0.188   3.458
   58    HZ   PHE  32           HZ       PHE  32  -6.994   1.713   4.149
   59    H    SER  33           H        SER  33  -8.376  -4.497   9.210
   60    HA   SER  33           HA       SER  33  -6.433  -5.731  10.794
   61   1HB   SER  33          2HB       SER  33  -8.684  -5.224  11.622
   62   2HB   SER  33          1HB       SER  33  -9.370  -6.421  10.523
   63    HG   SER  33           HG       SER  33  -7.450  -7.597  11.929
   64    H    GLN  34           H        GLN  34  -7.819  -6.704   7.822
   65    HA   GLN  34           HA       GLN  34  -6.976  -9.487   8.190
   66   1HB   GLN  34          2HB       GLN  34  -8.524  -8.215   5.925
   67   2HB   GLN  34          1HB       GLN  34  -8.193  -9.932   6.107
   68   1HG   GLN  34          2HG       GLN  34  -9.836  -8.251   7.987
   69   2HG   GLN  34          1HG       GLN  34 -10.468  -9.366   6.775
   70   1HE2  GLN  34          1HE2      GLN  34  -8.819  -9.069   9.823
   71   2HE2  GLN  34          2HE2      GLN  34  -9.017 -10.712  10.320
   72    H    TRP  35           H        TRP  35  -6.119  -6.550   6.599
   73    HA   TRP  35           HA       TRP  35  -4.500  -7.647   4.542
   74   1HB   TRP  35          2HB       TRP  35  -4.637  -4.926   5.828
   75   2HB   TRP  35          1HB       TRP  35  -3.467  -5.302   4.569
   76    HD1  TRP  35           HD1      TRP  35  -7.317  -5.802   4.908
   77    HE1  TRP  35           HE1      TRP  35  -8.394  -5.060   2.690
   78    HE3  TRP  35           HE3      TRP  35  -3.095  -4.432   2.373
   79    HZ2  TRP  35           HZ2      TRP  35  -7.563  -4.025   0.197
   80    HZ3  TRP  35           HZ3      TRP  35  -3.321  -3.573   0.079
   81    HH2  TRP  35           HH2      TRP  35  -5.510  -3.375  -0.986
   82    H    SER  36           H        SER  36  -2.910  -9.011   5.078
   83    HA   SER  36           HA       SER  36  -1.127  -8.329   7.304
   84   1HB   SER  36          2HB       SER  36  -1.400 -10.906   5.732
   85   2HB   SER  36          1HB       SER  36  -0.313 -10.656   7.099
   86    HG   SER  36           HG       SER  36  -2.612  -9.918   7.998
   87    H    VAL  37           H        VAL  37   1.185  -9.552   6.616
   88    HA   VAL  37           HA       VAL  37   2.521  -7.687   5.075
   89    HB   VAL  37           HB       VAL  37   3.261 -10.555   5.661
   90   1HG1  VAL  37          1HG1      VAL  37   4.951  -8.365   4.461
   91   2HG1  VAL  37          3HG1      VAL  37   5.570  -9.901   5.067
   92   3HG1  VAL  37          2HG1      VAL  37   4.474  -9.876   3.687
   93   1HG2  VAL  37          2HG2      VAL  37   3.044  -9.076   7.609
   94   2HG2  VAL  37          1HG2      VAL  37   4.715  -9.583   7.350
   95   3HG2  VAL  37          3HG2      VAL  37   4.202  -7.962   6.881
   96    H    ASP  38           H        ASP  38   1.443 -10.936   4.078
   97    HA   ASP  38           HA       ASP  38   2.335 -10.804   1.431
   98   1HB   ASP  38          2HB       ASP  38   1.662 -12.907   2.439
   99   2HB   ASP  38          1HB       ASP  38   0.006 -12.333   2.610
  100    H    ASP  39           H        ASP  39  -0.546  -9.518   2.938
  101    HA   ASP  39           HA       ASP  39  -1.966  -9.032   0.511
  102   1HB   ASP  39          2HB       ASP  39  -2.309  -7.870   3.280
  103   2HB   ASP  39          1HB       ASP  39  -3.424  -7.604   1.944
  104    H    VAL  40           H        VAL  40  -0.176  -6.884   2.728
  105    HA   VAL  40           HA       VAL  40  -0.502  -4.535   1.228
  106    HB   VAL  40           HB       VAL  40   1.818  -5.213   3.039
  107   1HG1  VAL  40          3HG1      VAL  40   2.191  -3.239   1.647
  108   2HG1  VAL  40          2HG1      VAL  40   0.668  -2.550   2.208
  109   3HG1  VAL  40          1HG1      VAL  40   1.995  -2.796   3.342
  110   1HG2  VAL  40          3HG2      VAL  40  -0.858  -3.984   3.694
  111   2HG2  VAL  40          2HG2      VAL  40  -0.282  -5.573   4.198
  112   3HG2  VAL  40          1HG2      VAL  40   0.504  -4.117   4.807
  113    H    ILE  41           H        ILE  41   1.911  -7.090   1.058
  114    HA   ILE  41           HA       ILE  41   3.693  -5.735  -0.683
  115    HB   ILE  41           HB       ILE  41   3.310  -8.680  -0.152
  116   1HG1  ILE  41          2HG1      ILE  41   5.462  -6.758   0.758
  117   2HG1  ILE  41          1HG1      ILE  41   4.093  -7.263   1.743
  118   1HG2  ILE  41          1HG2      ILE  41   5.489  -7.294  -1.708
  119   2HG2  ILE  41          3HG2      ILE  41   5.507  -8.989  -1.221
  120   3HG2  ILE  41          2HG2      ILE  41   4.284  -8.410  -2.352
  121   1HD1  ILE  41          3HD1      ILE  41   4.882  -9.583   1.607
  122   2HD1  ILE  41          2HD1      ILE  41   6.277  -9.036   0.678
  123   3HD1  ILE  41          1HD1      ILE  41   6.067  -8.506   2.347
  124    H    THR  42           H        THR  42   1.368  -8.363  -1.343
  125    HA   THR  42           HA       THR  42   1.624  -8.533  -4.066
  126    HB   THR  42           HB       THR  42  -0.984  -8.742  -2.546
  127    HG1  THR  42           HG1      THR  42  -0.404 -10.981  -2.457
  128   1HG2  THR  42          3HG2      THR  42  -0.126  -9.900  -5.202
  129   2HG2  THR  42          2HG2      THR  42  -1.640 -10.262  -4.371
  130   3HG2  THR  42          1HG2      THR  42  -1.323  -8.629  -4.958
  131    H    TRP  43           H        TRP  43  -0.291  -6.186  -2.234
  132    HA   TRP  43           HA       TRP  43  -1.433  -4.987  -4.573
  133   1HB   TRP  43          2HB       TRP  43  -2.512  -4.918  -2.320
  134   2HB   TRP  43          1HB       TRP  43  -1.234  -3.830  -1.783
  135    HD1  TRP  43           HD1      TRP  43  -3.875  -3.897  -4.638
  136    HE1  TRP  43           HE1      TRP  43  -4.753  -1.499  -4.957
  137    HE3  TRP  43           HE3      TRP  43  -0.980  -1.504  -1.170
  138    HZ2  TRP  43           HZ2      TRP  43  -4.282   1.067  -3.884
  139    HZ3  TRP  43           HZ3      TRP  43  -1.257   0.925  -0.877
  140    HH2  TRP  43           HH2      TRP  43  -2.875   2.182  -2.207
  141    H    CYS  44           H        CYS  44   1.292  -4.288  -2.452
  142    HA   CYS  44           HA       CYS  44   1.970  -1.788  -3.591
  143   1HB   CYS  44          2HB       CYS  44   2.768  -2.471  -1.379
  144   2HB   CYS  44          1HB       CYS  44   3.712  -3.764  -2.108
  145    HG   CYS  44           HG       CYS  44   4.434  -0.524  -1.778
  146    H    ILE  45           H        ILE  45   2.194  -4.921  -4.788
  147    HA   ILE  45           HA       ILE  45   4.288  -4.155  -6.712
  148    HB   ILE  45           HB       ILE  45   3.257  -6.920  -6.053
  149   1HG1  ILE  45          2HG1      ILE  45   5.872  -5.597  -5.296
  150   2HG1  ILE  45          1HG1      ILE  45   4.519  -5.863  -4.201
  151   1HG2  ILE  45          1HG2      ILE  45   5.518  -5.986  -7.811
  152   2HG2  ILE  45          3HG2      ILE  45   5.251  -7.660  -7.335
  153   3HG2  ILE  45          2HG2      ILE  45   4.051  -6.822  -8.317
  154   1HD1  ILE  45          3HD1      ILE  45   4.762  -8.289  -4.548
  155   2HD1  ILE  45          2HD1      ILE  45   6.171  -7.976  -5.562
  156   3HD1  ILE  45          1HD1      ILE  45   6.200  -7.542  -3.852
  157    H    SER  46           H        SER  46   0.961  -4.753  -6.321
  158    HA   SER  46           HA       SER  46   0.292  -5.728  -8.881
  159   1HB   SER  46          2HB       SER  46  -1.240  -5.899  -6.984
  160   2HB   SER  46          1HB       SER  46  -1.391  -4.143  -6.930
  161    HG   SER  46           HG       SER  46  -2.507  -5.974  -8.690
  162    H    THR  47           H        THR  47  -0.552  -2.478  -7.662
  163    HA   THR  47           HA       THR  47   0.057  -1.433 -10.353
  164    HB   THR  47           HB       THR  47  -2.355  -1.533 -10.058
  165    HG1  THR  47           HG1      THR  47  -2.293   1.126  -9.792
  166   1HG2  THR  47          2HG2      THR  47  -1.873   0.160  -7.609
  167   2HG2  THR  47          1HG2      THR  47  -3.455  -0.148  -8.323
  168   3HG2  THR  47          3HG2      THR  47  -2.517  -1.480  -7.648
  169    H    LEU  48           H        LEU  48   1.219  -1.379  -7.360
  170    HA   LEU  48           HA       LEU  48   1.339   1.361  -6.686
  171   1HB   LEU  48          2HB       LEU  48   1.991  -0.863  -5.383
  172   2HB   LEU  48          1HB       LEU  48   3.586  -0.452  -5.978
  173    HG   LEU  48           HG       LEU  48   3.423   0.421  -3.783
  174   1HD1  LEU  48          2HD1      LEU  48   4.493   1.908  -5.405
  175   2HD1  LEU  48          1HD1      LEU  48   2.946   2.706  -5.688
  176   3HD1  LEU  48          3HD1      LEU  48   3.714   2.803  -4.102
  177   1HD2  LEU  48          3HD2      LEU  48   0.808   1.641  -4.646
  178   2HD2  LEU  48          2HD2      LEU  48   1.049   0.354  -3.462
  179   3HD2  LEU  48          1HD2      LEU  48   1.622   1.986  -3.119
  180    H    GLU  49           H        GLU  49   4.086  -0.632  -7.831
  181    HA   GLU  49           HA       GLU  49   4.831   1.539  -9.635
  182   1HB   GLU  49          2HB       GLU  49   5.997   1.981  -7.509
  183   2HB   GLU  49          1HB       GLU  49   6.751   0.395  -7.606
  184   1HG   GLU  49          2HG       GLU  49   8.304   2.076  -8.337
  185   2HG   GLU  49          1HG       GLU  49   7.842   1.064  -9.705
  186    H    VAL  50           H        VAL  50   6.808  -1.155  -8.510
  187    HA   VAL  50           HA       VAL  50   7.058  -2.061 -11.283
  188    HB   VAL  50           HB       VAL  50   9.064  -3.210 -10.593
  189   1HG1  VAL  50          1HG1      VAL  50   9.208  -0.797 -11.074
  190   2HG1  VAL  50          3HG1      VAL  50   8.998  -0.461  -9.354
  191   3HG1  VAL  50          2HG1      VAL  50  10.428  -1.328  -9.916
  192   1HG2  VAL  50          3HG2      VAL  50   8.347  -2.351  -7.790
  193   2HG2  VAL  50          2HG2      VAL  50   8.357  -4.002  -8.411
  194   3HG2  VAL  50          1HG2      VAL  50   9.869  -3.106  -8.267
  195    H    GLU  51           H        GLU  51   7.833  -4.582 -11.107
  196    HA   GLU  51           HA       GLU  51   5.452  -5.993 -10.121
  197   1HB   GLU  51          2HB       GLU  51   6.203  -7.790 -11.712
  198   2HB   GLU  51          1HB       GLU  51   5.757  -6.271 -12.479
  199   1HG   GLU  51          2HG       GLU  51   8.026  -5.686 -12.839
  200   2HG   GLU  51          1HG       GLU  51   8.596  -7.009 -11.821
  201    H    GLU  52           H        GLU  52   6.324  -8.571 -10.002
  202    HA   GLU  52           HA       GLU  52   7.849  -8.550  -7.563
  203   1HB   GLU  52          2HB       GLU  52   6.835 -10.879  -9.205
  204   2HB   GLU  52          1HB       GLU  52   7.503 -10.989  -7.583
  205   1HG   GLU  52          2HG       GLU  52   5.668  -9.621  -6.734
  206   2HG   GLU  52          1HG       GLU  52   4.996  -9.520  -8.361
  207    H    THR  53           H        THR  53   9.754  -7.570  -8.598
  208    HA   THR  53           HA       THR  53  11.616  -9.665  -9.426
  209    HB   THR  53           HB       THR  53  12.616  -8.154 -11.141
  210    HG1  THR  53           HG1      THR  53  11.653  -6.194 -10.353
  211   1HG2  THR  53          2HG2      THR  53  11.102  -9.966 -11.802
  212   2HG2  THR  53          1HG2      THR  53   9.722  -8.881 -11.624
  213   3HG2  THR  53          3HG2      THR  53  10.934  -8.572 -12.869
  214    H    ASP  54           H        ASP  54  11.190  -6.258  -8.586
  215    HA   ASP  54           HA       ASP  54  13.867  -5.908  -7.656
  216   1HB   ASP  54          2HB       ASP  54  12.548  -4.044  -8.555
  217   2HB   ASP  54          1HB       ASP  54  11.393  -4.214  -7.237
  218    HA   PRO  55           HA       PRO  55  13.535  -7.603  -3.573
  219   1HB   PRO  55          2HB       PRO  55  15.311  -5.396  -2.714
  220   2HB   PRO  55          1HB       PRO  55  15.540  -7.143  -2.585
  221   1HG   PRO  55          2HG       PRO  55  16.914  -5.707  -4.365
  222   2HG   PRO  55          1HG       PRO  55  16.321  -7.332  -4.758
  223   1HD   PRO  55          2HD       PRO  55  15.218  -4.667  -5.557
  224   2HD   PRO  55          1HD       PRO  55  15.377  -6.153  -6.515
  225    H    LEU  56           H        LEU  56  12.283  -4.649  -4.433
  226    HA   LEU  56           HA       LEU  56  11.780  -3.225  -2.150
  227   1HB   LEU  56          2HB       LEU  56  11.082  -2.383  -4.268
  228   2HB   LEU  56          1HB       LEU  56  10.015  -3.748  -4.533
  229    HG   LEU  56           HG       LEU  56   9.407  -2.110  -2.151
  230   1HD1  LEU  56          2HD1      LEU  56   8.976  -1.062  -4.946
  231   2HD1  LEU  56          1HD1      LEU  56   8.296  -0.374  -3.470
  232   3HD1  LEU  56          3HD1      LEU  56  10.041  -0.364  -3.725
  233   1HD2  LEU  56          3HD2      LEU  56   8.028  -4.011  -2.875
  234   2HD2  LEU  56          2HD2      LEU  56   7.129  -2.493  -2.905
  235   3HD2  LEU  56          1HD2      LEU  56   7.725  -3.194  -4.410
  236    H    CYS  57           H        CYS  57  10.164  -6.159  -3.246
  237    HA   CYS  57           HA       CYS  57   8.087  -6.129  -1.321
  238   1HB   CYS  57          2HB       CYS  57   7.762  -8.488  -1.932
  239   2HB   CYS  57          1HB       CYS  57   7.947  -7.474  -3.359
  240    HG   CYS  57           HG       CYS  57  10.936  -8.382  -2.802
  241    H    GLN  58           H        GLN  58  11.342  -7.474  -1.333
  242    HA   GLN  58           HA       GLN  58  11.068  -8.952   1.078
  243   1HB   GLN  58          2HB       GLN  58  13.572  -7.893  -0.244
  244   2HB   GLN  58          1HB       GLN  58  13.513  -9.125   1.010
  245   1HG   GLN  58          2HG       GLN  58  12.257 -10.589  -0.497
  246   2HG   GLN  58          1HG       GLN  58  12.346  -9.357  -1.755
  247   1HE2  GLN  58          1HE2      GLN  58  15.069  -8.586  -1.004
  248   2HE2  GLN  58          2HE2      GLN  58  16.098  -9.839  -1.599
  249    H    ARG  59           H        ARG  59  12.279  -5.713   0.327
  250    HA   ARG  59           HA       ARG  59  13.250  -5.079   2.884
  251   1HB   ARG  59          2HB       ARG  59  12.124  -3.238   0.765
  252   2HB   ARG  59          1HB       ARG  59  13.071  -2.725   2.154
  253   1HG   ARG  59          2HG       ARG  59  14.052  -4.558  -0.023
  254   2HG   ARG  59          1HG       ARG  59  14.385  -2.829   0.081
  255   1HD   ARG  59          2HD       ARG  59  15.488  -3.191   2.250
  256   2HD   ARG  59          1HD       ARG  59  15.184  -4.921   2.102
  257    HE   ARG  59           HE       ARG  59  16.573  -4.021  -0.171
  258   1HH1  ARG  59          1HH1      ARG  59  17.056  -4.591   3.231
  259   2HH1  ARG  59          2HH1      ARG  59  18.750  -4.916   3.068
  260   1HH2  ARG  59          1HH2      ARG  59  18.801  -4.446  -0.398
  261   2HH2  ARG  59          2HH2      ARG  59  19.740  -4.835   1.005
  262    H    LEU  60           H        LEU  60  10.044  -4.763   1.451
  263    HA   LEU  60           HA       LEU  60   8.950  -3.408   3.736
  264   1HB   LEU  60          2HB       LEU  60   7.909  -2.795   1.762
  265   2HB   LEU  60          1HB       LEU  60   7.918  -4.428   1.127
  266    HG   LEU  60           HG       LEU  60   6.162  -5.011   2.803
  267   1HD1  LEU  60          1HD1      LEU  60   6.093  -2.026   3.218
  268   2HD1  LEU  60          3HD1      LEU  60   4.903  -3.174   3.829
  269   3HD1  LEU  60          2HD1      LEU  60   6.566  -3.235   4.413
  270   1HD2  LEU  60          3HD2      LEU  60   5.655  -4.490   0.453
  271   2HD2  LEU  60          2HD2      LEU  60   4.352  -4.014   1.543
  272   3HD2  LEU  60          1HD2      LEU  60   5.447  -2.795   0.891
  273    H    ARG  61           H        ARG  61   9.347  -6.677   2.674
  274    HA   ARG  61           HA       ARG  61   7.308  -7.863   4.250
  275   1HB   ARG  61          2HB       ARG  61   8.259  -9.025   2.335
  276   2HB   ARG  61          1HB       ARG  61   9.843  -9.042   3.100
  277   1HG   ARG  61          2HG       ARG  61   9.001 -10.497   4.855
  278   2HG   ARG  61          1HG       ARG  61   7.391 -10.453   4.135
  279   1HD   ARG  61          2HD       ARG  61   8.240 -11.515   2.121
  280   2HD   ARG  61          1HD       ARG  61   9.874 -11.503   2.784
  281    HE   ARG  61           HE       ARG  61   8.318 -12.865   4.609
  282   1HH1  ARG  61          1HH1      ARG  61   9.203 -13.220   1.258
  283   2HH1  ARG  61          2HH1      ARG  61   9.106 -14.949   1.282
  284   1HH2  ARG  61          1HH2      ARG  61   8.187 -15.143   4.650
  285   2HH2  ARG  61          2HH2      ARG  61   8.524 -16.042   3.208
  286    H    GLU  62           H        GLU  62  10.814  -7.459   4.745
  287    HA   GLU  62           HA       GLU  62  11.050  -8.762   7.183
  288   1HB   GLU  62          2HB       GLU  62  12.526  -6.309   6.208
  289   2HB   GLU  62          1HB       GLU  62  13.008  -7.278   7.593
  290   1HG   GLU  62          2HG       GLU  62  13.252  -9.227   6.094
  291   2HG   GLU  62          1HG       GLU  62  12.880  -8.179   4.726
  292    H    ASN  63           H        ASN  63  10.351  -5.329   6.582
  293    HA   ASN  63           HA       ASN  63   9.871  -4.813   9.370
  294   1HB   ASN  63          2HB       ASN  63   9.196  -3.080   6.982
  295   2HB   ASN  63          1HB       ASN  63   9.288  -2.563   8.662
  296   1HD2  ASN  63          1HD2      ASN  63  10.740  -1.596   6.335
  297   2HD2  ASN  63          2HD2      ASN  63  12.418  -1.790   6.701
  298    H    ASP  64           H        ASP  64   8.232  -6.232   9.961
  299    HA   ASP  64           HA       ASP  64   5.861  -6.751   8.656
  300   1HB   ASP  64          2HB       ASP  64   6.625  -7.934  10.688
  301   2HB   ASP  64          1HB       ASP  64   6.241  -6.509  11.649
  302    H    ILE  65           H        ILE  65   4.875  -5.032   7.686
  303    HA   ILE  65           HA       ILE  65   3.652  -3.056   9.495
  304    HB   ILE  65           HB       ILE  65   4.755  -2.521   6.733
  305   1HG1  ILE  65          2HG1      ILE  65   6.479  -2.601   8.473
  306   2HG1  ILE  65          1HG1      ILE  65   6.259  -0.957   7.889
  307   1HG2  ILE  65          1HG2      ILE  65   3.221  -0.717   8.597
  308   2HG2  ILE  65          3HG2      ILE  65   4.054  -0.184   7.137
  309   3HG2  ILE  65          2HG2      ILE  65   2.697  -1.304   7.019
  310   1HD1  ILE  65          1HD1      ILE  65   4.901  -0.458   9.873
  311   2HD1  ILE  65          3HD1      ILE  65   5.190  -2.096  10.460
  312   3HD1  ILE  65          2HD1      ILE  65   6.537  -0.972  10.282
  313    H    VAL  66           H        VAL  66   1.585  -3.691   9.575
  314    HA   VAL  66           HA       VAL  66   0.222  -4.957   7.420
  315    HB   VAL  66           HB       VAL  66  -1.816  -4.642   8.806
  316   1HG1  VAL  66          1HG1      VAL  66  -0.379  -6.591   9.117
  317   2HG1  VAL  66          3HG1      VAL  66   0.577  -5.700  10.303
  318   3HG1  VAL  66          2HG1      VAL  66  -1.111  -6.084  10.640
  319   1HG2  VAL  66          2HG2      VAL  66   0.079  -3.220  10.675
  320   2HG2  VAL  66          1HG2      VAL  66  -1.269  -2.493   9.801
  321   3HG2  VAL  66          3HG2      VAL  66  -1.577  -3.690  11.060
  322    H    GLY  67           H        GLY  67  -2.032  -4.026   6.789
  323   1HA   GLY  67          1HA       GLY  67  -3.070  -2.501   5.411
  324   2HA   GLY  67          2HA       GLY  67  -1.550  -1.621   5.332
  325    H    ASP  68           H        ASP  68  -2.719  -2.269   8.476
  326    HA   ASP  68           HA       ASP  68  -4.351   0.082   8.737
  327   1HB   ASP  68          2HB       ASP  68  -4.739  -1.934  10.110
  328   2HB   ASP  68          1HB       ASP  68  -3.167  -1.708  10.873
  329    H    LEU  69           H        LEU  69  -1.084  -0.386   8.517
  330    HA   LEU  69           HA       LEU  69  -0.420   1.877  10.266
  331   1HB   LEU  69          2HB       LEU  69   1.107  -0.445   9.193
  332   2HB   LEU  69          1HB       LEU  69   1.982   1.033   9.540
  333    HG   LEU  69           HG       LEU  69   1.534   0.897  11.845
  334   1HD1  LEU  69          1HD1      LEU  69  -0.590  -1.097  11.122
  335   2HD1  LEU  69          3HD1      LEU  69   0.006  -0.889  12.768
  336   3HD1  LEU  69          2HD1      LEU  69  -0.779   0.454  11.937
  337   1HD2  LEU  69          3HD2      LEU  69   1.963  -1.908  10.836
  338   2HD2  LEU  69          2HD2      LEU  69   3.211  -0.694  11.115
  339   3HD2  LEU  69          1HD2      LEU  69   2.296  -1.346  12.474
  340    H    LEU  70           H        LEU  70  -0.926   1.071   7.019
  341    HA   LEU  70           HA       LEU  70   0.932   2.678   5.695
  342   1HB   LEU  70          2HB       LEU  70  -1.894   1.994   4.884
  343   2HB   LEU  70          1HB       LEU  70  -0.685   2.688   3.821
  344    HG   LEU  70           HG       LEU  70  -0.399   0.005   5.175
  345   1HD1  LEU  70          3HD1      LEU  70  -2.266  -0.026   3.608
  346   2HD1  LEU  70          2HD1      LEU  70  -1.234   0.654   2.351
  347   3HD1  LEU  70          1HD1      LEU  70  -0.902  -0.957   2.987
  348   1HD2  LEU  70          2HD2      LEU  70   1.159   1.321   2.952
  349   2HD2  LEU  70          1HD2      LEU  70   1.719   1.065   4.604
  350   3HD2  LEU  70          3HD2      LEU  70   1.407  -0.318   3.554
  351    HA   PRO  71           HA       PRO  71  -2.082   6.360   6.000
  352   1HB   PRO  71          2HB       PRO  71  -4.361   6.211   7.379
  353   2HB   PRO  71          1HB       PRO  71  -4.236   5.529   5.751
  354   1HG   PRO  71          2HG       PRO  71  -4.124   4.143   8.401
  355   2HG   PRO  71          1HG       PRO  71  -4.953   3.650   6.913
  356   1HD   PRO  71          2HD       PRO  71  -2.497   2.689   7.730
  357   2HD   PRO  71          1HD       PRO  71  -3.072   2.686   6.052
  358    H    GLU  72           H        GLU  72  -0.955   4.570   8.585
  359    HA   GLU  72           HA       GLU  72  -1.248   6.805  10.476
  360   1HB   GLU  72          2HB       GLU  72  -0.567   3.905  10.982
  361   2HB   GLU  72          1HB       GLU  72  -0.641   5.149  12.223
  362   1HG   GLU  72          2HG       GLU  72  -2.930   4.216  10.507
  363   2HG   GLU  72          1HG       GLU  72  -2.662   3.811  12.201
  364    H    LEU  73           H        LEU  73   0.780   6.332   8.216
  365    HA   LEU  73           HA       LEU  73   3.142   6.902   9.870
  366   1HB   LEU  73          2HB       LEU  73   2.976   5.062   7.493
  367   2HB   LEU  73          1HB       LEU  73   4.493   5.729   8.063
  368    HG   LEU  73           HG       LEU  73   2.654   4.027   9.746
  369   1HD1  LEU  73          1HD1      LEU  73   3.567   2.752   7.867
  370   2HD1  LEU  73          3HD1      LEU  73   5.195   3.259   8.320
  371   3HD1  LEU  73          2HD1      LEU  73   4.258   2.234   9.405
  372   1HD2  LEU  73          1HD2      LEU  73   4.067   5.551  11.028
  373   2HD2  LEU  73          3HD2      LEU  73   4.575   3.876  11.243
  374   3HD2  LEU  73          2HD2      LEU  73   5.493   4.947  10.184
  375    H    CYS  74           H        CYS  74   4.816   8.132   8.769
  376    HA   CYS  74           HA       CYS  74   3.651  10.204   7.126
  377   1HB   CYS  74          2HB       CYS  74   5.213  10.709   9.002
  378   2HB   CYS  74          1HB       CYS  74   6.501   9.915   8.101
  379    HG   CYS  74           HG       CYS  74   7.217  12.356   7.476
  380    H    LEU  75           H        LEU  75   4.904  11.031   5.216
  381    HA   LEU  75           HA       LEU  75   5.096   9.021   3.254
  382   1HB   LEU  75          2HB       LEU  75   4.511  11.377   2.792
  383   2HB   LEU  75          1HB       LEU  75   6.158  11.845   3.168
  384    HG   LEU  75           HG       LEU  75   6.960  10.499   1.257
  385   1HD1  LEU  75          2HD1      LEU  75   4.020  10.064   0.762
  386   2HD1  LEU  75          1HD1      LEU  75   5.303   9.703  -0.394
  387   3HD1  LEU  75          3HD1      LEU  75   5.225   8.834   1.137
  388   1HD2  LEU  75          3HD2      LEU  75   4.842  12.539   0.590
  389   2HD2  LEU  75          2HD2      LEU  75   6.533  12.871   0.960
  390   3HD2  LEU  75          1HD2      LEU  75   6.109  11.983  -0.503
  391    H    GLN  76           H        GLN  76   7.440  10.439   5.389
  392    HA   GLN  76           HA       GLN  76   9.788   9.772   3.982
  393   1HB   GLN  76          2HB       GLN  76   9.289  10.126   6.941
  394   2HB   GLN  76          1HB       GLN  76  10.888   9.934   6.231
  395   1HG   GLN  76          2HG       GLN  76   8.953  12.160   5.633
  396   2HG   GLN  76          1HG       GLN  76  10.373  12.272   6.673
  397   1HE2  GLN  76          1HE2      GLN  76  11.978  10.568   4.927
  398   2HE2  GLN  76          2HE2      GLN  76  12.395  11.539   3.562
  399    H    ASP  77           H        ASP  77   7.793   7.972   6.263
  400    HA   ASP  77           HA       ASP  77   9.454   5.807   6.765
  401   1HB   ASP  77          2HB       ASP  77   7.348   6.120   7.949
  402   2HB   ASP  77          1HB       ASP  77   6.443   5.847   6.463
  403    H    CYS  78           H        CYS  78   7.463   6.538   3.980
  404    HA   CYS  78           HA       CYS  78   7.711   3.992   2.727
  405   1HB   CYS  78          2HB       CYS  78   5.897   5.410   2.064
  406   2HB   CYS  78          1HB       CYS  78   6.995   6.722   1.653
  407    HG   CYS  78           HG       CYS  78   8.201   4.774  -0.322
  408    H    GLN  79           H        GLN  79   9.365   7.098   2.326
  409    HA   GLN  79           HA       GLN  79  11.029   6.496   0.216
  410   1HB   GLN  79          2HB       GLN  79  10.766   8.664   1.718
  411   2HB   GLN  79          1HB       GLN  79  12.185   8.005   2.520
  412   1HG   GLN  79          2HG       GLN  79  13.369   7.967   0.375
  413   2HG   GLN  79          1HG       GLN  79  11.947   8.657  -0.409
  414   1HE2  GLN  79          1HE2      GLN  79  11.418  10.809  -0.041
  415   2HE2  GLN  79          2HE2      GLN  79  12.536  11.928   0.653
  416    H    ASP  80           H        ASP  80  11.252   5.512   3.565
  417    HA   ASP  80           HA       ASP  80  13.884   4.440   3.450
  418   1HB   ASP  80          2HB       ASP  80  12.742   4.996   5.576
  419   2HB   ASP  80          1HB       ASP  80  11.586   3.699   5.281
  420    H    LEU  81           H        LEU  81  10.654   3.124   2.995
  421    HA   LEU  81           HA       LEU  81  11.350   0.422   2.648
  422   1HB   LEU  81          2HB       LEU  81   9.012   2.142   2.128
  423   2HB   LEU  81          1HB       LEU  81   9.113   0.710   1.123
  424    HG   LEU  81           HG       LEU  81   8.888  -0.741   2.953
  425   1HD1  LEU  81          3HD1      LEU  81   9.490   1.613   4.739
  426   2HD1  LEU  81          2HD1      LEU  81   8.990   0.019   5.305
  427   3HD1  LEU  81          1HD1      LEU  81  10.521   0.212   4.450
  428   1HD2  LEU  81          1HD2      LEU  81   6.819   0.459   2.373
  429   2HD2  LEU  81          3HD2      LEU  81   6.867  -0.010   4.072
  430   3HD2  LEU  81          2HD2      LEU  81   7.190   1.662   3.609
  431    H    CYS  82           H        CYS  82  11.856   3.135   0.676
  432    HA   CYS  82           HA       CYS  82  12.194   1.481  -1.730
  433   1HB   CYS  82          2HB       CYS  82  12.138   4.498  -1.527
  434   2HB   CYS  82          1HB       CYS  82  12.104   3.538  -3.003
  435    HG   CYS  82           HG       CYS  82   9.607   2.760  -0.948
  436    H    ASP  83           H        ASP  83  14.002   2.696  -3.188
  437    HA   ASP  83           HA       ASP  83  16.452   2.305  -1.691
  438   1HB   ASP  83          2HB       ASP  83  15.989   2.852  -4.629
  439   2HB   ASP  83          1HB       ASP  83  17.549   2.478  -3.905
  440    H    GLY  84           H        GLY  84  14.498   4.911  -2.671
  441   1HA   GLY  84          1HA       GLY  84  16.724   6.818  -2.537
  442   2HA   GLY  84          2HA       GLY  84  15.430   6.959  -1.357
  443    H    ASP  85           H        ASP  85  14.104   5.833  -4.185
  444    HA   ASP  85           HA       ASP  85  13.919   8.234  -5.680
  445   1HB   ASP  85          2HB       ASP  85  12.636   5.540  -5.764
  446   2HB   ASP  85          1HB       ASP  85  11.920   6.847  -6.687
  447    H    LEU  86           H        LEU  86  12.831   9.974  -5.064
  448    HA   LEU  86           HA       LEU  86  10.856   9.952  -3.026
  449   1HB   LEU  86          2HB       LEU  86  12.230  11.902  -3.360
  450   2HB   LEU  86          1HB       LEU  86  11.668  12.070  -5.012
  451    HG   LEU  86           HG       LEU  86   9.409  12.605  -4.188
  452   1HD1  LEU  86          2HD1      LEU  86  10.690  12.457  -1.462
  453   2HD1  LEU  86          1HD1      LEU  86   9.072  13.072  -1.804
  454   3HD1  LEU  86          3HD1      LEU  86   9.452  11.374  -2.096
  455   1HD2  LEU  86          2HD2      LEU  86  11.053  14.382  -4.637
  456   2HD2  LEU  86          1HD2      LEU  86   9.915  14.822  -3.363
  457   3HD2  LEU  86          3HD2      LEU  86  11.553  14.323  -2.947
  458    H    ASN  87           H        ASN  87  10.687  10.382  -6.549
  459    HA   ASN  87           HA       ASN  87   7.993  10.843  -6.879
  460   1HB   ASN  87          2HB       ASN  87   9.827  10.745  -8.654
  461   2HB   ASN  87          1HB       ASN  87   9.571   9.007  -8.680
  462   1HD2  ASN  87          1HD2      ASN  87   8.187  12.118  -9.399
  463   2HD2  ASN  87          2HD2      ASN  87   6.915  11.538 -10.414
  464    H    LYS  88           H        LYS  88   9.672   7.776  -6.505
  465    HA   LYS  88           HA       LYS  88   7.564   6.012  -6.911
  466   1HB   LYS  88          2HB       LYS  88   9.688   5.045  -6.769
  467   2HB   LYS  88          1HB       LYS  88  10.080   5.889  -5.279
  468   1HG   LYS  88          2HG       LYS  88   9.771   3.572  -4.793
  469   2HG   LYS  88          1HG       LYS  88   8.424   4.475  -4.096
  470   1HD   LYS  88          2HD       LYS  88   6.987   3.819  -5.922
  471   2HD   LYS  88          1HD       LYS  88   8.337   3.040  -6.750
  472   1HE   LYS  88          2HE       LYS  88   7.031   1.341  -5.679
  473   2HE   LYS  88          1HE       LYS  88   8.557   1.500  -4.812
  474   1HZ   LYS  88          1HZ       LYS  88   5.977   2.708  -3.973
  475   2HZ   LYS  88          3HZ       LYS  88   6.676   1.321  -3.300
  476   3HZ   LYS  88          2HZ       LYS  88   7.441   2.821  -3.135
  477    H    ALA  89           H        ALA  89   8.641   7.555  -3.899
  478    HA   ALA  89           HA       ALA  89   6.721   6.326  -2.240
  479   1HB   ALA  89          3HB       ALA  89   8.808   7.408  -1.441
  480   2HB   ALA  89          1HB       ALA  89   7.360   7.906  -0.563
  481   3HB   ALA  89          2HB       ALA  89   8.070   8.977  -1.773
  482    H    ILE  90           H        ILE  90   6.540   9.030  -4.398
  483    HA   ILE  90           HA       ILE  90   4.295  10.310  -3.237
  484    HB   ILE  90           HB       ILE  90   5.247  10.334  -6.105
  485   1HG1  ILE  90          2HG1      ILE  90   5.668  12.315  -3.854
  486   2HG1  ILE  90          1HG1      ILE  90   6.880  11.188  -4.451
  487   1HG2  ILE  90          2HG2      ILE  90   3.273  12.128  -4.696
  488   2HG2  ILE  90          1HG2      ILE  90   3.913  12.392  -6.319
  489   3HG2  ILE  90          3HG2      ILE  90   2.912  10.979  -5.985
  490   1HD1  ILE  90          1HD1      ILE  90   5.618  13.406  -6.045
  491   2HD1  ILE  90          3HD1      ILE  90   7.224  13.438  -5.317
  492   3HD1  ILE  90          2HD1      ILE  90   6.867  12.297  -6.613
  493    H    LYS  91           H        LYS  91   4.524   8.171  -6.091
  494    HA   LYS  91           HA       LYS  91   1.784   7.865  -6.517
  495   1HB   LYS  91          2HB       LYS  91   4.082   5.989  -7.091
  496   2HB   LYS  91          1HB       LYS  91   2.440   5.703  -7.649
  497   1HG   LYS  91          2HG       LYS  91   4.007   8.181  -8.316
  498   2HG   LYS  91          1HG       LYS  91   3.985   6.735  -9.327
  499   1HD   LYS  91          2HD       LYS  91   1.504   8.235  -8.499
  500   2HD   LYS  91          1HD       LYS  91   2.371   8.537 -10.006
  501   1HE   LYS  91          2HE       LYS  91   2.005   6.224 -10.690
  502   2HE   LYS  91          1HE       LYS  91   1.174   5.896  -9.171
  503   1HZ   LYS  91          1HZ       LYS  91   0.282   7.829 -11.242
  504   2HZ   LYS  91          3HZ       LYS  91  -0.386   6.298 -10.971
  505   3HZ   LYS  91          2HZ       LYS  91  -0.520   7.501  -9.789
  506    H    PHE  92           H        PHE  92   3.939   6.348  -4.256
  507    HA   PHE  92           HA       PHE  92   2.379   4.145  -3.486
  508   1HB   PHE  92          2HB       PHE  92   4.748   4.418  -2.896
  509   2HB   PHE  92          1HB       PHE  92   4.343   5.784  -1.867
  510    HD1  PHE  92           HD1      PHE  92   4.031   5.437   0.381
  511    HD2  PHE  92           HD2      PHE  92   3.562   2.166  -2.301
  512    HE1  PHE  92           HE1      PHE  92   3.772   3.908   2.294
  513    HE2  PHE  92           HE2      PHE  92   3.304   0.632  -0.395
  514    HZ   PHE  92           HZ       PHE  92   3.415   1.501   1.907
  515    H    LYS  93           H        LYS  93   2.831   7.179  -1.669
  516    HA   LYS  93           HA       LYS  93   0.729   6.804   0.119
  517   1HB   LYS  93          2HB       LYS  93   2.563   8.475   0.357
  518   2HB   LYS  93          1HB       LYS  93   1.793   9.447  -0.889
  519   1HG   LYS  93          2HG       LYS  93  -0.130   9.808   0.495
  520   2HG   LYS  93          1HG       LYS  93   0.484   8.683   1.710
  521   1HD   LYS  93          2HD       LYS  93   2.439  10.177   2.031
  522   2HD   LYS  93          1HD       LYS  93   1.705  11.324   0.909
  523   1HE   LYS  93          2HE       LYS  93   0.409  10.352   3.450
  524   2HE   LYS  93          1HE       LYS  93   1.314  11.860   3.308
  525   1HZ   LYS  93          1HZ       LYS  93  -1.133  11.166   1.773
  526   2HZ   LYS  93          3HZ       LYS  93  -1.064  12.224   3.093
  527   3HZ   LYS  93          2HZ       LYS  93  -0.270  12.616   1.651
  528    H    ILE  94           H        ILE  94   0.695   7.839  -3.182
  529    HA   ILE  94           HA       ILE  94  -1.791   9.199  -3.169
  530    HB   ILE  94           HB       ILE  94  -0.164   7.930  -5.349
  531   1HG1  ILE  94          2HG1      ILE  94  -1.060  10.784  -4.884
  532   2HG1  ILE  94          1HG1      ILE  94   0.493  10.133  -4.374
  533   1HG2  ILE  94          3HG2      ILE  94  -2.892   9.180  -5.632
  534   2HG2  ILE  94          2HG2      ILE  94  -1.806   8.827  -6.976
  535   3HG2  ILE  94          1HG2      ILE  94  -2.448   7.511  -5.989
  536   1HD1  ILE  94          2HD1      ILE  94  -0.480  10.338  -7.213
  537   2HD1  ILE  94          1HD1      ILE  94   0.689  11.404  -6.433
  538   3HD1  ILE  94          3HD1      ILE  94   1.082   9.705  -6.696
  539    H    LEU  95           H        LEU  95  -1.072   6.012  -4.620
  540    HA   LEU  95           HA       LEU  95  -3.668   5.184  -4.993
  541   1HB   LEU  95          2HB       LEU  95  -1.246   3.522  -4.300
  542   2HB   LEU  95          1HB       LEU  95  -2.774   2.843  -4.823
  543    HG   LEU  95           HG       LEU  95  -0.937   4.608  -6.444
  544   1HD1  LEU  95          2HD1      LEU  95  -1.774   1.728  -6.763
  545   2HD1  LEU  95          1HD1      LEU  95  -0.757   2.634  -7.882
  546   3HD1  LEU  95          3HD1      LEU  95  -0.188   2.302  -6.246
  547   1HD2  LEU  95          2HD2      LEU  95  -3.632   3.462  -7.169
  548   2HD2  LEU  95          1HD2      LEU  95  -3.249   5.169  -6.946
  549   3HD2  LEU  95          3HD2      LEU  95  -2.529   4.271  -8.283
  550    H    ILE  96           H        ILE  96  -1.840   5.342  -2.046
  551    HA   ILE  96           HA       ILE  96  -3.584   3.662  -0.533
  552    HB   ILE  96           HB       ILE  96  -1.595   5.727   0.414
  553   1HG1  ILE  96          2HG1      ILE  96  -1.290   2.726   0.412
  554   2HG1  ILE  96          1HG1      ILE  96  -0.756   3.726  -0.936
  555   1HG2  ILE  96          1HG2      ILE  96  -3.053   3.568   1.933
  556   2HG2  ILE  96          3HG2      ILE  96  -1.714   4.522   2.572
  557   3HG2  ILE  96          2HG2      ILE  96  -3.230   5.311   2.137
  558   1HD1  ILE  96          1HD1      ILE  96   0.734   4.943   0.579
  559   2HD1  ILE  96          3HD1      ILE  96   0.215   3.905   1.906
  560   3HD1  ILE  96          2HD1      ILE  96   1.089   3.214   0.538
  561    H    ASN  97           H        ASN  97  -3.297   7.130  -1.072
  562    HA   ASN  97           HA       ASN  97  -5.153   7.993   0.847
  563   1HB   ASN  97          2HB       ASN  97  -3.475   9.332  -0.635
  564   2HB   ASN  97          1HB       ASN  97  -4.809   9.399  -1.783
  565   1HD2  ASN  97          1HD2      ASN  97  -6.834   9.478   0.326
  566   2HD2  ASN  97          2HD2      ASN  97  -6.776  11.073   0.981
  567    H    LYS  98           H        LYS  98  -5.610   7.453  -2.654
  568    HA   LYS  98           HA       LYS  98  -8.359   7.932  -2.718
  569   1HB   LYS  98          2HB       LYS  98  -6.546   6.277  -4.457
  570   2HB   LYS  98          1HB       LYS  98  -8.271   6.378  -4.775
  571   1HG   LYS  98          2HG       LYS  98  -7.178   7.960  -6.169
  572   2HG   LYS  98          1HG       LYS  98  -8.026   8.858  -4.909
  573   1HD   LYS  98          2HD       LYS  98  -5.965   9.176  -3.690
  574   2HD   LYS  98          1HD       LYS  98  -5.092   8.156  -4.837
  575   1HE   LYS  98          2HE       LYS  98  -4.710  10.544  -5.254
  576   2HE   LYS  98          1HE       LYS  98  -5.508   9.756  -6.614
  577   1HZ   LYS  98          2HZ       LYS  98  -7.618  10.648  -5.843
  578   2HZ   LYS  98          1HZ       LYS  98  -6.849  11.404  -4.540
  579   3HZ   LYS  98          3HZ       LYS  98  -6.508  11.893  -6.123
  580    H    MET  99           H        MET  99  -6.584   4.901  -2.240
  581    HA   MET  99           HA       MET  99  -8.834   3.214  -2.101
  582   1HB   MET  99          2HB       MET  99  -6.532   2.401  -2.457
  583   2HB   MET  99          1HB       MET  99  -6.119   2.867  -0.814
  584   1HG   MET  99          2HG       MET  99  -8.351   0.947  -1.331
  585   2HG   MET  99          1HG       MET  99  -6.674   0.404  -1.340
  586   1HE   MET  99          2HE       MET  99  -7.263  -1.329   0.565
  587   2HE   MET  99          1HE       MET  99  -7.979  -0.890   2.116
  588   3HE   MET  99          3HE       MET  99  -8.933  -0.767   0.638
  589    H    ARG 100           H        ARG 100  -7.220   5.207   0.276
  590    HA   ARG 100           HA       ARG 100  -8.417   4.074   2.579
  591   1HB   ARG 100          2HB       ARG 100  -6.435   5.385   2.844
  592   2HB   ARG 100          1HB       ARG 100  -7.173   6.774   2.061
  593   1HG   ARG 100          2HG       ARG 100  -7.061   7.148   4.431
  594   2HG   ARG 100          1HG       ARG 100  -8.747   6.968   3.948
  595   1HD   ARG 100          2HD       ARG 100  -8.656   4.601   4.674
  596   2HD   ARG 100          1HD       ARG 100  -7.010   4.871   5.246
  597    HE   ARG 100           HE       ARG 100  -8.872   6.725   6.368
  598   1HH1  ARG 100          1HH1      ARG 100  -7.611   3.490   6.639
  599   2HH1  ARG 100          2HH1      ARG 100  -7.980   3.347   8.324
  600   1HH2  ARG 100          1HH2      ARG 100  -9.363   6.548   8.587
  601   2HH2  ARG 100          2HH2      ARG 100  -8.979   5.086   9.432
  602    H    ASP 101           H        ASP 101  -9.411   6.597   0.341
  603    HA   ASP 101           HA       ASP 101 -11.597   7.491   1.974
  604   1HB   ASP 101          2HB       ASP 101 -10.540   9.015   0.384
  605   2HB   ASP 101          1HB       ASP 101 -10.997   7.964  -0.954
  606    H    SER 102           H        SER 102 -11.732   6.164  -1.327
  607    HA   SER 102           HA       SER 102 -13.259   3.913  -0.889
  608   1HB   SER 102          2HB       SER 102 -14.988   5.337   0.089
  609   2HB   SER 102          1HB       SER 102 -15.004   6.347  -1.357
  610    HG   SER 102           HG       SER 102 -15.543   4.266  -2.463
  611    H    LYS 103           H        LYS 103 -13.641   2.834  -2.766
  612    HA   LYS 103           HA       LYS 103 -13.541   2.294  -4.961
  613   1HB   LYS 103          2HB       LYS 103 -14.155   5.221  -5.383
  614   2HB   LYS 103          1HB       LYS 103 -14.267   3.964  -6.605
  615   1HG   LYS 103          2HG       LYS 103 -16.017   2.855  -5.316
  616   2HG   LYS 103          1HG       LYS 103 -15.904   4.113  -4.084
  617   1HD   LYS 103          2HD       LYS 103 -16.431   4.852  -6.933
  618   2HD   LYS 103          1HD       LYS 103 -17.746   4.257  -5.920
  619   1HE   LYS 103          2HE       LYS 103 -17.693   6.674  -5.864
  620   2HE   LYS 103          1HE       LYS 103 -17.256   6.030  -4.283
  621   1HZ   LYS 103          2HZ       LYS 103 -15.298   6.945  -6.319
  622   2HZ   LYS 103          1HZ       LYS 103 -15.833   7.884  -5.018
  623   3HZ   LYS 103          3HZ       LYS 103 -14.959   6.463  -4.734
  624    H    LEU 104           H        LEU 104 -11.986   2.011  -6.466
  625    HA   LEU 104           HA       LEU 104  -9.562   3.630  -6.158
  626   1HB   LEU 104          2HB       LEU 104 -10.038   0.887  -7.314
  627   2HB   LEU 104          1HB       LEU 104  -8.517   1.736  -7.498
  628    HG   LEU 104           HG       LEU 104  -8.327   0.147  -5.701
  629   1HD1  LEU 104          2HD1      LEU 104  -7.143   2.267  -5.438
  630   2HD1  LEU 104          1HD1      LEU 104  -8.536   2.941  -4.593
  631   3HD1  LEU 104          3HD1      LEU 104  -7.636   1.602  -3.882
  632   1HD2  LEU 104          2HD2      LEU 104 -10.695  -0.053  -5.140
  633   2HD2  LEU 104          1HD2      LEU 104  -9.719   0.257  -3.705
  634   3HD2  LEU 104          3HD2      LEU 104 -10.665   1.559  -4.425
  635    H    GLU 105           H        GLU 105 -10.807   1.807  -8.943
  636    HA   GLU 105           HA       GLU 105 -11.221   4.176 -10.506
  637   1HB   GLU 105          2HB       GLU 105  -9.512   3.583 -12.221
  638   2HB   GLU 105          1HB       GLU 105  -8.835   4.091 -10.681
  639   1HG   GLU 105          2HG       GLU 105  -8.518   1.705 -10.091
  640   2HG   GLU 105          1HG       GLU 105  -9.057   1.277 -11.715
  641    H    TRP 106           H        TRP 106 -13.212   2.658 -10.136
  642    HA   TRP 106           HA       TRP 106 -13.338   0.718 -12.346
  643   1HB   TRP 106          2HB       TRP 106 -15.081   0.883  -9.879
  644   2HB   TRP 106          1HB       TRP 106 -15.216  -0.325 -11.152
  645    HD1  TRP 106           HD1      TRP 106 -12.196  -1.165 -11.470
  646    HE1  TRP 106           HE1      TRP 106 -11.012  -2.456  -9.585
  647    HE3  TRP 106           HE3      TRP 106 -15.244   0.114  -7.569
  648    HZ2  TRP 106           HZ2      TRP 106 -11.329  -2.878  -6.812
  649    HZ3  TRP 106           HZ3      TRP 106 -14.735  -0.779  -5.333
  650    HH2  TRP 106           HH2      TRP 106 -12.818  -2.244  -4.965
  651    H    LYS 107           H        LYS 107 -13.901   3.782 -11.994
  652    HA   LYS 107           HA       LYS 107 -16.330   3.727 -13.639
  653   1HB   LYS 107          2HB       LYS 107 -15.837   5.657 -11.364
  654   2HB   LYS 107          1HB       LYS 107 -17.191   5.724 -12.483
  655   1HG   LYS 107          2HG       LYS 107 -17.972   3.555 -11.670
  656   2HG   LYS 107          1HG       LYS 107 -16.615   3.493 -10.543
  657   1HD   LYS 107          2HD       LYS 107 -17.435   5.516  -9.441
  658   2HD   LYS 107          1HD       LYS 107 -18.782   5.594 -10.578
  659   1HE   LYS 107          2HE       LYS 107 -19.587   3.429  -9.766
  660   2HE   LYS 107          1HE       LYS 107 -18.242   3.356  -8.628
  661   1HZ   LYS 107          2HZ       LYS 107 -19.095   5.353  -7.557
  662   2HZ   LYS 107          1HZ       LYS 107 -20.391   5.408  -8.644
  663   3HZ   LYS 107          3HZ       LYS 107 -20.256   4.122  -7.550
  664    H    ASP 108           H        ASP 108 -15.338   4.212 -15.533
  665    HA   ASP 108           HA       ASP 108 -14.107   6.869 -15.713
  666   1HB   ASP 108          2HB       ASP 108 -12.268   5.257 -15.655
  667   2HB   ASP 108          1HB       ASP 108 -12.998   4.353 -16.977

  No H/Q in entry =         667
  Start of MODEL   23
    1    H1   GLY  24          2H        GLY  24 -11.479 -11.205  -5.301
    2    H2   GLY  24          1H        GLY  24 -11.252 -12.114  -3.894
    3    H3   GLY  24          3H        GLY  24 -10.963 -12.813  -5.408
    4   1HA   GLY  24          2HA       GLY  24 -13.067 -13.574  -4.481
    5   2HA   GLY  24          1HA       GLY  24 -13.284 -12.684  -5.981
    6    H    SER  25           H        SER  25 -14.487 -10.855  -5.992
    7    HA   SER  25           HA       SER  25 -15.254  -9.635  -3.453
    8   1HB   SER  25          2HB       SER  25 -16.200  -7.835  -4.845
    9   2HB   SER  25          1HB       SER  25 -14.515  -8.147  -5.261
   10    HG   SER  25           HG       SER  25 -16.839  -8.934  -6.674
   11    H    HIS  26           H        HIS  26 -17.384  -9.415  -2.770
   12    HA   HIS  26           HA       HIS  26 -19.575 -10.468  -4.294
   13   1HB   HIS  26          2HB       HIS  26 -18.555 -12.554  -3.434
   14   2HB   HIS  26          1HB       HIS  26 -18.733 -11.948  -1.791
   15    HD1  HIS  26           HD1      HIS  26 -20.568 -13.641  -4.502
   16    HD2  HIS  26           HD2      HIS  26 -21.452 -11.798  -0.885
   17    HE1  HIS  26           HE1      HIS  26 -22.912 -14.357  -3.938
   18    HE2  HIS  26           HE2      HIS  26 -23.395 -13.295  -1.705
   19    H    MET  27           H        MET  27 -18.343  -9.404  -1.162
   20    HA   MET  27           HA       MET  27 -20.802  -7.843  -0.808
   21   1HB   MET  27          2HB       MET  27 -20.982  -9.877   0.579
   22   2HB   MET  27          1HB       MET  27 -19.470  -9.461   1.373
   23   1HG   MET  27          2HG       MET  27 -21.377  -8.872   2.750
   24   2HG   MET  27          1HG       MET  27 -20.479  -7.435   2.263
   25   1HE   MET  27          2HE       MET  27 -22.965  -9.575   0.090
   26   2HE   MET  27          1HE       MET  27 -23.710  -9.592   1.689
   27   3HE   MET  27          3HE       MET  27 -24.485  -8.723   0.365
   28    H    ASN  28           H        ASN  28 -17.570  -8.423   0.594
   29    HA   ASN  28           HA       ASN  28 -16.946  -5.606   0.339
   30   1HB   ASN  28          2HB       ASN  28 -16.359  -5.340   2.725
   31   2HB   ASN  28          1HB       ASN  28 -18.080  -5.637   2.495
   32   1HD2  ASN  28          1HD2      ASN  28 -18.959  -7.600   3.134
   33   2HD2  ASN  28          2HD2      ASN  28 -18.129  -8.677   4.198
   34    H    ASN  29           H        ASN  29 -14.762  -5.166   0.346
   35    HA   ASN  29           HA       ASN  29 -12.819  -7.130   1.123
   36   1HB   ASN  29          2HB       ASN  29 -11.827  -7.450  -1.090
   37   2HB   ASN  29          1HB       ASN  29 -13.498  -8.006  -1.085
   38   1HD2  ASN  29          1HD2      ASN  29 -15.069  -6.799  -2.173
   39   2HD2  ASN  29          2HD2      ASN  29 -14.645  -5.641  -3.384
   40    H    GLU  30           H        GLU  30 -13.481  -4.416   1.749
   41    HA   GLU  30           HA       GLU  30 -11.185  -2.928   0.676
   42   1HB   GLU  30          2HB       GLU  30 -12.351  -0.945   1.723
   43   2HB   GLU  30          1HB       GLU  30 -13.188  -1.691   0.368
   44   1HG   GLU  30          2HG       GLU  30 -14.667  -2.853   1.911
   45   2HG   GLU  30          1HG       GLU  30 -13.808  -2.147   3.279
   46    H    ASP  31           H        ASP  31 -12.704  -4.035   3.633
   47    HA   ASP  31           HA       ASP  31 -11.328  -2.728   5.593
   48   1HB   ASP  31          2HB       ASP  31 -12.015  -5.674   5.560
   49   2HB   ASP  31          1HB       ASP  31 -11.643  -4.727   6.997
   50    H    PHE  32           H        PHE  32  -9.227  -2.279   5.577
   51    HA   PHE  32           HA       PHE  32  -7.281  -4.219   4.645
   52   1HB   PHE  32          2HB       PHE  32  -5.663  -2.311   5.240
   53   2HB   PHE  32          1HB       PHE  32  -6.783  -2.047   3.908
   54    HD1  PHE  32           HD1      PHE  32  -6.176  -1.305   7.482
   55    HD2  PHE  32           HD2      PHE  32  -8.330  -0.285   3.955
   56    HE1  PHE  32           HE1      PHE  32  -6.984   0.747   8.574
   57    HE2  PHE  32           HE2      PHE  32  -9.142   1.768   5.040
   58    HZ   PHE  32           HZ       PHE  32  -8.470   2.286   7.352
   59    H    SER  33           H        SER  33  -8.813  -3.597   7.520
   60    HA   SER  33           HA       SER  33  -6.722  -3.798   9.402
   61   1HB   SER  33          2HB       SER  33  -9.630  -4.590   9.670
   62   2HB   SER  33          1HB       SER  33  -8.502  -4.387  11.010
   63    HG   SER  33           HG       SER  33  -8.894  -2.294   9.175
   64    H    GLN  34           H        GLN  34  -8.048  -6.101   7.288
   65    HA   GLN  34           HA       GLN  34  -7.141  -8.344   8.949
   66   1HB   GLN  34          2HB       GLN  34  -9.432  -8.441   7.995
   67   2HB   GLN  34          1HB       GLN  34  -8.737  -8.396   6.381
   68   1HG   GLN  34          2HG       GLN  34  -7.621 -10.514   6.782
   69   2HG   GLN  34          1HG       GLN  34  -8.251 -10.550   8.427
   70   1HE2  GLN  34          1HE2      GLN  34  -8.996 -10.914   5.060
   71   2HE2  GLN  34          2HE2      GLN  34 -10.556 -11.629   5.269
   72    H    TRP  35           H        TRP  35  -6.237  -6.432   6.284
   73    HA   TRP  35           HA       TRP  35  -4.788  -8.240   4.718
   74   1HB   TRP  35          2HB       TRP  35  -4.569  -5.283   5.192
   75   2HB   TRP  35          1HB       TRP  35  -3.399  -6.114   4.171
   76    HD1  TRP  35           HD1      TRP  35  -7.149  -6.977   4.158
   77    HE1  TRP  35           HE1      TRP  35  -8.095  -6.433   1.827
   78    HE3  TRP  35           HE3      TRP  35  -3.040  -4.720   2.123
   79    HZ2  TRP  35           HZ2      TRP  35  -7.218  -5.206  -0.557
   80    HZ3  TRP  35           HZ3      TRP  35  -3.175  -3.886  -0.187
   81    HH2  TRP  35           HH2      TRP  35  -5.222  -4.126  -1.499
   82    H    SER  36           H        SER  36  -2.732  -9.009   4.769
   83    HA   SER  36           HA       SER  36  -1.173  -8.448   7.205
   84   1HB   SER  36          2HB       SER  36  -0.277 -10.745   7.007
   85   2HB   SER  36          1HB       SER  36  -2.031 -10.741   7.190
   86    HG   SER  36           HG       SER  36  -1.612 -12.117   5.533
   87    H    VAL  37           H        VAL  37   1.208  -9.534   6.622
   88    HA   VAL  37           HA       VAL  37   2.491  -7.607   5.093
   89    HB   VAL  37           HB       VAL  37   3.363 -10.366   5.934
   90   1HG1  VAL  37          2HG1      VAL  37   4.990  -8.289   4.471
   91   2HG1  VAL  37          1HG1      VAL  37   5.660  -9.705   5.281
   92   3HG1  VAL  37          3HG1      VAL  37   4.580  -9.907   3.903
   93   1HG2  VAL  37          2HG2      VAL  37   3.072  -8.624   7.664
   94   2HG2  VAL  37          1HG2      VAL  37   4.744  -9.167   7.513
   95   3HG2  VAL  37          3HG2      VAL  37   4.252  -7.623   6.818
   96    H    ASP  38           H        ASP  38   1.199 -10.736   4.126
   97    HA   ASP  38           HA       ASP  38   2.399 -10.727   1.535
   98   1HB   ASP  38          2HB       ASP  38   0.013 -12.294   2.535
   99   2HB   ASP  38          1HB       ASP  38   0.927 -12.628   1.067
  100    H    ASP  39           H        ASP  39  -0.898 -10.045   2.694
  101    HA   ASP  39           HA       ASP  39  -2.018  -9.470   0.188
  102   1HB   ASP  39          2HB       ASP  39  -2.811  -8.426   2.914
  103   2HB   ASP  39          1HB       ASP  39  -3.806  -8.335   1.464
  104    H    VAL  40           H        VAL  40  -0.452  -7.343   2.551
  105    HA   VAL  40           HA       VAL  40  -1.024  -4.927   1.190
  106    HB   VAL  40           HB       VAL  40   1.189  -5.531   3.155
  107   1HG1  VAL  40          3HG1      VAL  40   0.093  -2.889   2.195
  108   2HG1  VAL  40          2HG1      VAL  40   1.243  -3.095   3.516
  109   3HG1  VAL  40          1HG1      VAL  40   1.700  -3.536   1.870
  110   1HG2  VAL  40          3HG2      VAL  40  -1.095  -5.923   4.010
  111   2HG2  VAL  40          2HG2      VAL  40  -0.281  -4.589   4.827
  112   3HG2  VAL  40          1HG2      VAL  40  -1.507  -4.257   3.604
  113    H    ILE  41           H        ILE  41   1.943  -6.904   1.322
  114    HA   ILE  41           HA       ILE  41   3.443  -5.297  -0.434
  115    HB   ILE  41           HB       ILE  41   3.716  -8.225   0.238
  116   1HG1  ILE  41          2HG1      ILE  41   5.294  -5.814   1.165
  117   2HG1  ILE  41          1HG1      ILE  41   4.013  -6.587   2.093
  118   1HG2  ILE  41          3HG2      ILE  41   5.593  -6.423  -1.288
  119   2HG2  ILE  41          2HG2      ILE  41   6.012  -8.022  -0.673
  120   3HG2  ILE  41          1HG2      ILE  41   4.760  -7.850  -1.903
  121   1HD1  ILE  41          1HD1      ILE  41   5.318  -8.652   2.156
  122   2HD1  ILE  41          3HD1      ILE  41   6.604  -7.861   1.247
  123   3HD1  ILE  41          2HD1      ILE  41   6.193  -7.296   2.867
  124    H    THR  42           H        THR  42   1.952  -8.472  -1.113
  125    HA   THR  42           HA       THR  42   2.436  -8.632  -3.798
  126    HB   THR  42           HB       THR  42  -0.145  -9.500  -2.484
  127    HG1  THR  42           HG1      THR  42   2.448 -10.636  -2.575
  128   1HG2  THR  42          2HG2      THR  42   1.284 -10.467  -4.965
  129   2HG2  THR  42          1HG2      THR  42  -0.134 -11.234  -4.246
  130   3HG2  THR  42          3HG2      THR  42  -0.253  -9.604  -4.909
  131    H    TRP  43           H        TRP  43  -0.450  -7.127  -2.316
  132    HA   TRP  43           HA       TRP  43  -1.579  -6.288  -4.758
  133   1HB   TRP  43          2HB       TRP  43  -2.910  -6.407  -2.710
  134   2HB   TRP  43          1HB       TRP  43  -1.942  -5.124  -1.988
  135    HD1  TRP  43           HD1      TRP  43  -4.551  -5.680  -4.763
  136    HE1  TRP  43           HE1      TRP  43  -5.661  -3.419  -5.298
  137    HE3  TRP  43           HE3      TRP  43  -1.657  -2.642  -1.842
  138    HZ2  TRP  43           HZ2      TRP  43  -5.349  -0.709  -4.580
  139    HZ3  TRP  43           HZ3      TRP  43  -2.129  -0.228  -1.820
  140    HH2  TRP  43           HH2      TRP  43  -3.938   0.718  -3.161
  141    H    CYS  44           H        CYS  44   0.647  -4.722  -2.511
  142    HA   CYS  44           HA       CYS  44   0.650  -2.152  -3.563
  143   1HB   CYS  44          2HB       CYS  44   1.800  -2.680  -1.488
  144   2HB   CYS  44          1HB       CYS  44   2.938  -3.713  -2.344
  145    HG   CYS  44           HG       CYS  44   2.984  -0.415  -1.896
  146    H    ILE  45           H        ILE  45   3.161  -4.591  -4.216
  147    HA   ILE  45           HA       ILE  45   4.409  -3.354  -6.334
  148    HB   ILE  45           HB       ILE  45   3.988  -6.319  -5.934
  149   1HG1  ILE  45          2HG1      ILE  45   6.332  -4.570  -5.166
  150   2HG1  ILE  45          1HG1      ILE  45   5.071  -5.081  -4.048
  151   1HG2  ILE  45          1HG2      ILE  45   6.008  -4.860  -7.631
  152   2HG2  ILE  45          3HG2      ILE  45   5.994  -6.596  -7.322
  153   3HG2  ILE  45          2HG2      ILE  45   4.670  -5.849  -8.215
  154   1HD1  ILE  45          3HD1      ILE  45   5.693  -7.415  -4.430
  155   2HD1  ILE  45          2HD1      ILE  45   6.971  -6.887  -5.527
  156   3HD1  ILE  45          1HD1      ILE  45   7.044  -6.459  -3.817
  157    H    SER  46           H        SER  46   1.615  -5.540  -6.445
  158    HA   SER  46           HA       SER  46   1.397  -5.797  -9.208
  159   1HB   SER  46          2HB       SER  46   0.132  -7.190  -7.646
  160   2HB   SER  46          1HB       SER  46  -0.816  -5.790  -7.146
  161    HG   SER  46           HG       SER  46  -1.828  -5.768  -9.069
  162    H    THR  47           H        THR  47   0.785  -3.047  -7.250
  163    HA   THR  47           HA       THR  47  -0.283  -1.651  -9.599
  164    HB   THR  47           HB       THR  47  -1.936  -0.454  -8.271
  165    HG1  THR  47           HG1      THR  47  -0.527  -1.200  -6.230
  166   1HG2  THR  47          3HG2      THR  47  -2.150  -3.450  -7.962
  167   2HG2  THR  47          2HG2      THR  47  -3.488  -2.313  -7.784
  168   3HG2  THR  47          1HG2      THR  47  -2.686  -2.497  -9.346
  169    H    LEU  48           H        LEU  48   2.299  -1.734  -7.810
  170    HA   LEU  48           HA       LEU  48   2.369   1.055  -6.949
  171   1HB   LEU  48          2HB       LEU  48   3.380  -0.990  -5.699
  172   2HB   LEU  48          1HB       LEU  48   4.695  -0.839  -6.843
  173    HG   LEU  48           HG       LEU  48   5.207   0.231  -4.699
  174   1HD1  LEU  48          3HD1      LEU  48   6.214   1.098  -6.762
  175   2HD1  LEU  48          2HD1      LEU  48   4.885   2.249  -6.912
  176   3HD1  LEU  48          1HD1      LEU  48   5.992   2.354  -5.543
  177   1HD2  LEU  48          2HD2      LEU  48   2.927   0.862  -4.070
  178   2HD2  LEU  48          1HD2      LEU  48   4.035   2.232  -3.981
  179   3HD2  LEU  48          3HD2      LEU  48   2.920   2.087  -5.340
  180    H    GLU  49           H        GLU  49   4.771  -0.923  -8.697
  181    HA   GLU  49           HA       GLU  49   4.877   1.095 -10.798
  182   1HB   GLU  49          2HB       GLU  49   6.526   1.829  -9.136
  183   2HB   GLU  49          1HB       GLU  49   7.314   0.259  -9.222
  184   1HG   GLU  49          2HG       GLU  49   8.505   1.952 -10.512
  185   2HG   GLU  49          1HG       GLU  49   7.908   0.647 -11.535
  186    H    VAL  50           H        VAL  50   6.674  -1.764  -9.674
  187    HA   VAL  50           HA       VAL  50   6.643  -2.789 -12.432
  188    HB   VAL  50           HB       VAL  50   8.600  -4.086 -11.869
  189   1HG1  VAL  50          1HG1      VAL  50   8.918  -1.734 -12.535
  190   2HG1  VAL  50          3HG1      VAL  50   8.922  -1.270 -10.831
  191   3HG1  VAL  50          2HG1      VAL  50  10.198  -2.310 -11.467
  192   1HG2  VAL  50          2HG2      VAL  50   8.291  -2.981  -9.078
  193   2HG2  VAL  50          1HG2      VAL  50   8.045  -4.656  -9.570
  194   3HG2  VAL  50          3HG2      VAL  50   9.654  -3.940  -9.656
  195    H    GLU  51           H        GLU  51   7.333  -5.408 -11.924
  196    HA   GLU  51           HA       GLU  51   4.827  -6.470 -10.837
  197   1HB   GLU  51          2HB       GLU  51   5.514  -8.561 -12.029
  198   2HB   GLU  51          1HB       GLU  51   5.282  -7.174 -13.087
  199   1HG   GLU  51          2HG       GLU  51   7.632  -6.851 -13.301
  200   2HG   GLU  51          1HG       GLU  51   7.969  -8.051 -12.053
  201    H    GLU  52           H        GLU  52   5.387  -8.978 -10.116
  202    HA   GLU  52           HA       GLU  52   6.795  -8.625  -7.646
  203   1HB   GLU  52          2HB       GLU  52   5.674 -11.150  -8.877
  204   2HB   GLU  52          1HB       GLU  52   6.189 -10.959  -7.207
  205   1HG   GLU  52          2HG       GLU  52   4.431  -9.318  -6.838
  206   2HG   GLU  52          1HG       GLU  52   3.925  -9.472  -8.520
  207    H    THR  53           H        THR  53   8.838  -8.026  -8.717
  208    HA   THR  53           HA       THR  53  10.550 -10.379  -8.982
  209    HB   THR  53           HB       THR  53  11.755  -9.374 -10.900
  210    HG1  THR  53           HG1      THR  53   9.778  -7.412 -10.549
  211   1HG2  THR  53          1HG2      THR  53   8.813  -9.849 -11.394
  212   2HG2  THR  53          3HG2      THR  53  10.081  -9.897 -12.620
  213   3HG2  THR  53          2HG2      THR  53  10.067 -11.088 -11.320
  214    H    ASP  54           H        ASP  54  10.417  -6.849  -8.956
  215    HA   ASP  54           HA       ASP  54  13.021  -6.343  -8.089
  216   1HB   ASP  54          2HB       ASP  54  11.556  -4.638  -9.062
  217   2HB   ASP  54          1HB       ASP  54  10.500  -4.724  -7.658
  218    HA   PRO  55           HA       PRO  55  13.098  -7.636  -3.852
  219   1HB   PRO  55          2HB       PRO  55  14.835  -5.744  -2.857
  220   2HB   PRO  55          1HB       PRO  55  15.325  -7.203  -3.725
  221   1HG   PRO  55          2HG       PRO  55  15.007  -4.408  -4.742
  222   2HG   PRO  55          1HG       PRO  55  16.280  -5.592  -5.096
  223   1HD   PRO  55          2HD       PRO  55  14.298  -5.124  -6.831
  224   2HD   PRO  55          1HD       PRO  55  14.948  -6.760  -6.595
  225    H    LEU  56           H        LEU  56  11.621  -4.824  -4.850
  226    HA   LEU  56           HA       LEU  56  11.270  -3.204  -2.674
  227   1HB   LEU  56          2HB       LEU  56  10.288  -2.706  -4.831
  228   2HB   LEU  56          1HB       LEU  56   9.203  -4.075  -4.693
  229    HG   LEU  56           HG       LEU  56   8.181  -2.921  -2.684
  230   1HD1  LEU  56          1HD1      LEU  56   9.813  -0.617  -3.737
  231   2HD1  LEU  56          3HD1      LEU  56   8.504  -0.480  -2.562
  232   3HD1  LEU  56          2HD1      LEU  56   9.964  -1.383  -2.155
  233   1HD2  LEU  56          3HD2      LEU  56   7.111  -2.962  -4.879
  234   2HD2  LEU  56          2HD2      LEU  56   6.815  -1.435  -4.049
  235   3HD2  LEU  56          1HD2      LEU  56   8.007  -1.517  -5.346
  236    H    CYS  57           H        CYS  57   9.873  -6.372  -3.213
  237    HA   CYS  57           HA       CYS  57   7.936  -6.277  -1.150
  238   1HB   CYS  57          2HB       CYS  57   7.900  -8.747  -1.383
  239   2HB   CYS  57          1HB       CYS  57   7.760  -7.915  -2.927
  240    HG   CYS  57           HG       CYS  57   9.975  -8.770  -4.018
  241    H    GLN  58           H        GLN  58  11.287  -7.400  -1.274
  242    HA   GLN  58           HA       GLN  58  11.408  -8.553   1.275
  243   1HB   GLN  58          2HB       GLN  58  13.137  -8.914  -0.409
  244   2HB   GLN  58          1HB       GLN  58  13.600  -7.221  -0.325
  245   1HG   GLN  58          2HG       GLN  58  15.144  -8.666   0.898
  246   2HG   GLN  58          1HG       GLN  58  14.348  -7.500   1.955
  247   1HE2  GLN  58          1HE2      GLN  58  14.621 -10.846   1.061
  248   2HE2  GLN  58          2HE2      GLN  58  13.790 -11.492   2.431
  249    H    ARG  59           H        ARG  59  12.032  -5.227   0.213
  250    HA   ARG  59           HA       ARG  59  12.929  -4.249   2.695
  251   1HB   ARG  59          2HB       ARG  59  11.532  -2.775   0.454
  252   2HB   ARG  59          1HB       ARG  59  12.386  -2.013   1.788
  253   1HG   ARG  59          2HG       ARG  59  13.622  -3.814  -0.287
  254   2HG   ARG  59          1HG       ARG  59  13.732  -2.053  -0.245
  255   1HD   ARG  59          2HD       ARG  59  14.877  -2.181   1.916
  256   2HD   ARG  59          1HD       ARG  59  14.771  -3.941   1.868
  257    HE   ARG  59           HE       ARG  59  16.106  -2.752  -0.398
  258   1HH1  ARG  59          1HH1      ARG  59  16.455  -4.076   2.806
  259   2HH1  ARG  59          2HH1      ARG  59  18.137  -4.442   2.611
  260   1HH2  ARG  59          1HH2      ARG  59  18.321  -3.228  -0.662
  261   2HH2  ARG  59          2HH2      ARG  59  19.197  -3.958   0.642
  262    H    LEU  60           H        LEU  60   9.702  -4.486   1.276
  263    HA   LEU  60           HA       LEU  60   8.451  -3.185   3.530
  264   1HB   LEU  60          2HB       LEU  60   7.235  -4.688   1.210
  265   2HB   LEU  60          1HB       LEU  60   6.342  -3.741   2.384
  266    HG   LEU  60           HG       LEU  60   8.411  -2.605   0.501
  267   1HD1  LEU  60          1HD1      LEU  60   5.401  -2.585   0.336
  268   2HD1  LEU  60          3HD1      LEU  60   6.486  -1.652  -0.697
  269   3HD1  LEU  60          2HD1      LEU  60   6.509  -3.415  -0.756
  270   1HD2  LEU  60          2HD2      LEU  60   8.115  -1.346   2.593
  271   2HD2  LEU  60          1HD2      LEU  60   7.530  -0.450   1.191
  272   3HD2  LEU  60          3HD2      LEU  60   6.384  -1.241   2.272
  273    H    ARG  61           H        ARG  61   9.497  -6.333   2.807
  274    HA   ARG  61           HA       ARG  61   7.529  -7.769   4.308
  275   1HB   ARG  61          2HB       ARG  61   8.853  -8.810   2.497
  276   2HB   ARG  61          1HB       ARG  61  10.304  -8.633   3.473
  277   1HG   ARG  61          2HG       ARG  61   8.325  -9.981   5.017
  278   2HG   ARG  61          1HG       ARG  61   8.462 -10.768   3.443
  279   1HD   ARG  61          2HD       ARG  61  10.862 -10.991   3.739
  280   2HD   ARG  61          1HD       ARG  61  10.770 -10.139   5.280
  281    HE   ARG  61           HE       ARG  61   9.065 -12.275   5.531
  282   1HH1  ARG  61          1HH1      ARG  61  12.448 -11.850   4.809
  283   2HH1  ARG  61          2HH1      ARG  61  12.919 -13.360   5.516
  284   1HH2  ARG  61          1HH2      ARG  61   9.678 -14.263   6.466
  285   2HH2  ARG  61          2HH2      ARG  61  11.347 -14.730   6.458
  286    H    GLU  62           H        GLU  62  10.879  -6.745   4.960
  287    HA   GLU  62           HA       GLU  62  11.232  -7.851   7.460
  288   1HB   GLU  62          2HB       GLU  62  12.183  -5.142   6.507
  289   2HB   GLU  62          1HB       GLU  62  12.819  -6.006   7.900
  290   1HG   GLU  62          2HG       GLU  62  13.579  -7.809   6.440
  291   2HG   GLU  62          1HG       GLU  62  12.936  -6.948   5.043
  292    H    ASN  63           H        ASN  63  10.192  -4.484   6.893
  293    HA   ASN  63           HA       ASN  63   9.189  -4.276   9.581
  294   1HB   ASN  63          2HB       ASN  63   9.040  -2.400   7.212
  295   2HB   ASN  63          1HB       ASN  63   8.381  -2.019   8.802
  296   1HD2  ASN  63          1HD2      ASN  63  11.267  -2.510   6.930
  297   2HD2  ASN  63          2HD2      ASN  63  12.369  -1.832   8.076
  298    H    ASP  64           H        ASP  64   7.572  -5.819   9.760
  299    HA   ASP  64           HA       ASP  64   5.497  -6.279   7.966
  300   1HB   ASP  64          2HB       ASP  64   4.239  -7.094  10.039
  301   2HB   ASP  64          1HB       ASP  64   5.786  -7.863   9.695
  302    H    ILE  65           H        ILE  65   4.597  -4.427   7.124
  303    HA   ILE  65           HA       ILE  65   3.319  -2.555   8.985
  304    HB   ILE  65           HB       ILE  65   3.718  -2.297   6.000
  305   1HG1  ILE  65          2HG1      ILE  65   5.850  -2.198   7.192
  306   2HG1  ILE  65          1HG1      ILE  65   5.420  -0.610   6.577
  307   1HG2  ILE  65          3HG2      ILE  65   2.704  -0.322   8.038
  308   2HG2  ILE  65          2HG2      ILE  65   3.078   0.057   6.356
  309   3HG2  ILE  65          1HG2      ILE  65   1.775  -1.069   6.739
  310   1HD1  ILE  65          1HD1      ILE  65   4.633   0.018   8.818
  311   2HD1  ILE  65          3HD1      ILE  65   5.141  -1.560   9.419
  312   3HD1  ILE  65          2HD1      ILE  65   6.340  -0.427   8.795
  313    H    VAL  66           H        VAL  66   1.273  -2.931   9.471
  314    HA   VAL  66           HA       VAL  66  -0.397  -4.605   7.815
  315    HB   VAL  66           HB       VAL  66  -0.453  -4.693  10.306
  316   1HG1  VAL  66          3HG1      VAL  66  -1.780  -2.002  10.037
  317   2HG1  VAL  66          2HG1      VAL  66  -1.701  -2.955  11.518
  318   3HG1  VAL  66          1HG1      VAL  66  -0.219  -2.332  10.789
  319   1HG2  VAL  66          2HG2      VAL  66  -2.329  -5.505   8.896
  320   2HG2  VAL  66          1HG2      VAL  66  -2.831  -4.973  10.502
  321   3HG2  VAL  66          3HG2      VAL  66  -3.110  -3.937   9.102
  322    H    GLY  67           H        GLY  67  -2.654  -3.874   7.278
  323   1HA   GLY  67          1HA       GLY  67  -4.067  -2.457   6.151
  324   2HA   GLY  67          2HA       GLY  67  -2.610  -1.662   5.573
  325    H    ASP  68           H        ASP  68  -3.576  -1.915   8.940
  326    HA   ASP  68           HA       ASP  68  -4.694   0.726   9.056
  327   1HB   ASP  68          2HB       ASP  68  -5.477  -1.065  10.551
  328   2HB   ASP  68          1HB       ASP  68  -3.878  -1.154  11.285
  329    H    LEU  69           H        LEU  69  -1.553  -0.498   9.050
  330    HA   LEU  69           HA       LEU  69  -0.475   1.750  10.589
  331   1HB   LEU  69          2HB       LEU  69   0.297  -0.570  11.074
  332   2HB   LEU  69          1HB       LEU  69   0.964  -0.649   9.456
  333    HG   LEU  69           HG       LEU  69   2.490   1.212  10.014
  334   1HD1  LEU  69          3HD1      LEU  69   1.337   0.909  12.783
  335   2HD1  LEU  69          2HD1      LEU  69   2.751   1.875  12.363
  336   3HD1  LEU  69          1HD1      LEU  69   1.165   2.310  11.727
  337   1HD2  LEU  69          1HD2      LEU  69   3.231  -1.099  10.246
  338   2HD2  LEU  69          3HD2      LEU  69   3.961  -0.075  11.483
  339   3HD2  LEU  69          2HD2      LEU  69   2.617  -1.139  11.899
  340    H    LEU  70           H        LEU  70  -1.136   0.859   7.412
  341    HA   LEU  70           HA       LEU  70   1.049   1.945   6.023
  342   1HB   LEU  70          2HB       LEU  70  -1.835   1.586   5.236
  343   2HB   LEU  70          1HB       LEU  70  -0.621   2.198   4.130
  344    HG   LEU  70           HG       LEU  70  -0.535  -0.515   5.460
  345   1HD1  LEU  70          2HD1      LEU  70  -2.355  -0.307   3.819
  346   2HD1  LEU  70          1HD1      LEU  70  -1.187   0.228   2.609
  347   3HD1  LEU  70          3HD1      LEU  70  -1.086  -1.404   3.271
  348   1HD2  LEU  70          1HD2      LEU  70   1.677   0.449   4.933
  349   2HD2  LEU  70          3HD2      LEU  70   1.305  -0.975   3.962
  350   3HD2  LEU  70          2HD2      LEU  70   1.172   0.634   3.254
  351    HA   PRO  71           HA       PRO  71  -1.251   6.124   5.941
  352   1HB   PRO  71          2HB       PRO  71  -3.510   6.513   7.306
  353   2HB   PRO  71          1HB       PRO  71  -3.519   5.669   5.751
  354   1HG   PRO  71          2HG       PRO  71  -3.647   4.544   8.518
  355   2HG   PRO  71          1HG       PRO  71  -4.548   4.060   7.070
  356   1HD   PRO  71          2HD       PRO  71  -2.288   2.782   8.026
  357   2HD   PRO  71          1HD       PRO  71  -2.870   2.693   6.353
  358    H    GLU  72           H        GLU  72  -0.463   4.421   8.715
  359    HA   GLU  72           HA       GLU  72  -0.551   6.704  10.514
  360   1HB   GLU  72          2HB       GLU  72   0.335   3.847  10.906
  361   2HB   GLU  72          1HB       GLU  72   0.417   5.072  12.164
  362   1HG   GLU  72          2HG       GLU  72  -2.090   4.145  10.779
  363   2HG   GLU  72          1HG       GLU  72  -1.557   3.656  12.387
  364    H    LEU  73           H        LEU  73   1.449   5.911   8.099
  365    HA   LEU  73           HA       LEU  73   3.822   6.905   9.537
  366   1HB   LEU  73          2HB       LEU  73   5.217   5.666   7.949
  367   2HB   LEU  73          1HB       LEU  73   4.173   4.605   8.874
  368    HG   LEU  73           HG       LEU  73   2.624   4.935   6.709
  369   1HD1  LEU  73          2HD1      LEU  73   5.450   5.181   5.694
  370   2HD1  LEU  73          1HD1      LEU  73   4.030   4.858   4.700
  371   3HD1  LEU  73          3HD1      LEU  73   4.177   6.393   5.554
  372   1HD2  LEU  73          3HD2      LEU  73   3.328   2.809   7.677
  373   2HD2  LEU  73          2HD2      LEU  73   3.488   2.794   5.921
  374   3HD2  LEU  73          1HD2      LEU  73   4.918   2.991   6.934
  375    H    CYS  74           H        CYS  74   5.062   8.482   8.564
  376    HA   CYS  74           HA       CYS  74   3.689  10.091   6.596
  377   1HB   CYS  74          2HB       CYS  74   6.342  10.520   7.988
  378   2HB   CYS  74          1HB       CYS  74   5.519  11.704   6.978
  379    HG   CYS  74           HG       CYS  74   4.818  12.756   9.279
  380    H    LEU  75           H        LEU  75   5.583  11.256   5.100
  381    HA   LEU  75           HA       LEU  75   6.168   9.232   3.166
  382   1HB   LEU  75          2HB       LEU  75   6.610  12.191   3.304
  383   2HB   LEU  75          1HB       LEU  75   7.372  11.244   2.040
  384    HG   LEU  75           HG       LEU  75   5.283  12.296   1.285
  385   1HD1  LEU  75          3HD1      LEU  75   6.027  10.222   0.247
  386   2HD1  LEU  75          2HD1      LEU  75   5.140   9.291   1.454
  387   3HD1  LEU  75          1HD1      LEU  75   4.266  10.305   0.306
  388   1HD2  LEU  75          1HD2      LEU  75   4.090  12.279   3.425
  389   2HD2  LEU  75          3HD2      LEU  75   3.135  11.539   2.139
  390   3HD2  LEU  75          2HD2      LEU  75   3.951  10.523   3.327
  391    H    GLN  76           H        GLN  76   7.859  10.575   5.806
  392    HA   GLN  76           HA       GLN  76  10.515  10.304   4.884
  393   1HB   GLN  76          2HB       GLN  76   9.316  10.297   7.652
  394   2HB   GLN  76          1HB       GLN  76  11.049  10.186   7.370
  395   1HG   GLN  76          2HG       GLN  76   9.277  12.446   6.470
  396   2HG   GLN  76          1HG       GLN  76  10.326  12.466   7.885
  397   1HE2  GLN  76          1HE2      GLN  76  12.423  10.946   6.523
  398   2HE2  GLN  76          2HE2      GLN  76  13.188  12.054   5.442
  399    H    ASP  77           H        ASP  77   8.297   8.082   6.482
  400    HA   ASP  77           HA       ASP  77  10.166   6.001   6.915
  401   1HB   ASP  77          2HB       ASP  77   8.000   6.166   8.102
  402   2HB   ASP  77          1HB       ASP  77   7.163   5.814   6.594
  403    H    CYS  78           H        CYS  78   7.531   6.215   4.518
  404    HA   CYS  78           HA       CYS  78   8.178   3.996   3.010
  405   1HB   CYS  78          2HB       CYS  78   6.931   5.043   1.179
  406   2HB   CYS  78          1HB       CYS  78   6.109   5.269   2.714
  407    HG   CYS  78           HG       CYS  78   5.839   7.790   2.446
  408    H    GLN  79           H        GLN  79   9.366   7.316   2.632
  409    HA   GLN  79           HA       GLN  79  10.868   6.965   0.319
  410   1HB   GLN  79          2HB       GLN  79  10.418   9.151   1.435
  411   2HB   GLN  79          1HB       GLN  79  11.601   8.727   2.665
  412   1HG   GLN  79          2HG       GLN  79  13.352   8.654   0.985
  413   2HG   GLN  79          1HG       GLN  79  12.176   9.016  -0.276
  414   1HE2  GLN  79          1HE2      GLN  79  13.235  10.888  -0.893
  415   2HE2  GLN  79          2HE2      GLN  79  13.225  12.321   0.071
  416    H    ASP  80           H        ASP  80  11.756   6.398   3.700
  417    HA   ASP  80           HA       ASP  80  14.444   5.668   3.201
  418   1HB   ASP  80          2HB       ASP  80  13.629   6.324   5.433
  419   2HB   ASP  80          1HB       ASP  80  12.635   4.870   5.495
  420    H    LEU  81           H        LEU  81  11.440   3.994   2.912
  421    HA   LEU  81           HA       LEU  81  12.601   1.353   2.894
  422   1HB   LEU  81          2HB       LEU  81   9.837   2.284   2.110
  423   2HB   LEU  81          1HB       LEU  81  10.332   0.612   2.306
  424    HG   LEU  81           HG       LEU  81  10.359   2.646   4.535
  425   1HD1  LEU  81          2HD1      LEU  81   8.307   0.539   3.876
  426   2HD1  LEU  81          1HD1      LEU  81   8.352   1.500   5.356
  427   3HD1  LEU  81          3HD1      LEU  81   8.079   2.286   3.800
  428   1HD2  LEU  81          1HD2      LEU  81  11.924   0.785   4.810
  429   2HD2  LEU  81          3HD2      LEU  81  10.600   0.696   5.972
  430   3HD2  LEU  81          2HD2      LEU  81  10.605  -0.359   4.559
  431    H    CYS  82           H        CYS  82  12.291   3.876   0.691
  432    HA   CYS  82           HA       CYS  82  12.329   2.105  -1.642
  433   1HB   CYS  82          2HB       CYS  82  12.114   5.118  -1.477
  434   2HB   CYS  82          1HB       CYS  82  12.030   4.170  -2.958
  435    HG   CYS  82           HG       CYS  82   9.619   3.001  -2.445
  436    H    ASP  83           H        ASP  83  13.833   2.939  -3.457
  437    HA   ASP  83           HA       ASP  83  16.495   2.648  -2.575
  438   1HB   ASP  83          2HB       ASP  83  17.112   3.122  -4.919
  439   2HB   ASP  83          1HB       ASP  83  15.806   1.947  -4.807
  440    H    GLY  84           H        GLY  84  14.465   5.390  -2.839
  441   1HA   GLY  84          1HA       GLY  84  16.775   7.214  -2.749
  442   2HA   GLY  84          2HA       GLY  84  15.574   7.267  -1.468
  443    H    ASP  85           H        ASP  85  14.475   6.551  -4.646
  444    HA   ASP  85           HA       ASP  85  14.067   9.170  -5.607
  445   1HB   ASP  85          2HB       ASP  85  14.020   7.149  -7.039
  446   2HB   ASP  85          1HB       ASP  85  12.515   6.656  -6.269
  447    H    LEU  86           H        LEU  86  12.890  10.658  -4.610
  448    HA   LEU  86           HA       LEU  86  10.936  10.176  -2.665
  449   1HB   LEU  86          2HB       LEU  86  12.136  12.296  -2.870
  450   2HB   LEU  86          1HB       LEU  86  11.343  12.612  -4.401
  451    HG   LEU  86           HG       LEU  86   9.153  12.645  -3.179
  452   1HD1  LEU  86          3HD1      LEU  86  10.948  12.589  -0.758
  453   2HD1  LEU  86          2HD1      LEU  86   9.223  12.960  -0.744
  454   3HD1  LEU  86          1HD1      LEU  86   9.777  11.356  -1.227
  455   1HD2  LEU  86          2HD2      LEU  86  11.238  14.641  -2.306
  456   2HD2  LEU  86          1HD2      LEU  86  10.294  14.703  -3.795
  457   3HD2  LEU  86          3HD2      LEU  86   9.491  14.878  -2.234
  458    H    ASN  87           H        ASN  87  10.624  10.869  -6.126
  459    HA   ASN  87           HA       ASN  87   7.898  11.185  -6.348
  460   1HB   ASN  87          2HB       ASN  87   9.862   9.881  -8.231
  461   2HB   ASN  87          1HB       ASN  87   8.185  10.188  -8.664
  462   1HD2  ASN  87          1HD2      ASN  87  11.275  11.605  -7.967
  463   2HD2  ASN  87          2HD2      ASN  87  10.911  13.187  -8.560
  464    H    LYS  88           H        LYS  88   9.732   8.159  -6.302
  465    HA   LYS  88           HA       LYS  88   7.630   6.395  -6.812
  466   1HB   LYS  88          2HB       LYS  88  10.172   5.967  -6.667
  467   2HB   LYS  88          1HB       LYS  88   9.895   5.746  -4.947
  468   1HG   LYS  88          2HG       LYS  88   9.416   3.625  -5.362
  469   2HG   LYS  88          1HG       LYS  88   7.971   4.167  -6.221
  470   1HD   LYS  88          2HD       LYS  88   9.212   4.288  -8.298
  471   2HD   LYS  88          1HD       LYS  88  10.707   3.864  -7.463
  472   1HE   LYS  88          2HE       LYS  88   9.614   1.701  -6.810
  473   2HE   LYS  88          1HE       LYS  88   8.275   2.130  -7.874
  474   1HZ   LYS  88          2HZ       LYS  88   9.865   2.242  -9.718
  475   2HZ   LYS  88          1HZ       LYS  88  11.106   1.744  -8.683
  476   3HZ   LYS  88          3HZ       LYS  88   9.815   0.702  -9.018
  477    H    ALA  89           H        ALA  89   8.782   7.791  -3.776
  478    HA   ALA  89           HA       ALA  89   7.110   6.276  -2.069
  479   1HB   ALA  89          1HB       ALA  89   7.912   7.574  -0.338
  480   2HB   ALA  89          2HB       ALA  89   8.055   9.016  -1.342
  481   3HB   ALA  89          3HB       ALA  89   9.212   7.696  -1.523
  482    H    ILE  90           H        ILE  90   6.687   9.349  -3.735
  483    HA   ILE  90           HA       ILE  90   4.390  10.247  -2.417
  484    HB   ILE  90           HB       ILE  90   5.149  10.672  -5.311
  485   1HG1  ILE  90          2HG1      ILE  90   5.665  12.435  -2.907
  486   2HG1  ILE  90          1HG1      ILE  90   6.863  11.357  -3.615
  487   1HG2  ILE  90          3HG2      ILE  90   3.249  12.198  -3.532
  488   2HG2  ILE  90          2HG2      ILE  90   3.742  12.686  -5.153
  489   3HG2  ILE  90          1HG2      ILE  90   2.814  11.204  -4.922
  490   1HD1  ILE  90          3HD1      ILE  90   6.740  12.602  -5.711
  491   2HD1  ILE  90          2HD1      ILE  90   5.543  13.682  -4.995
  492   3HD1  ILE  90          1HD1      ILE  90   7.188  13.641  -4.358
  493    H    LYS  91           H        LYS  91   4.683   8.310  -5.391
  494    HA   LYS  91           HA       LYS  91   1.933   7.988  -5.849
  495   1HB   LYS  91          2HB       LYS  91   4.254   6.204  -6.603
  496   2HB   LYS  91          1HB       LYS  91   2.623   6.030  -7.234
  497   1HG   LYS  91          2HG       LYS  91   4.227   8.553  -7.535
  498   2HG   LYS  91          1HG       LYS  91   4.265   7.239  -8.712
  499   1HD   LYS  91          2HD       LYS  91   1.718   8.582  -7.830
  500   2HD   LYS  91          1HD       LYS  91   2.665   9.132  -9.214
  501   1HE   LYS  91          2HE       LYS  91   2.418   6.929 -10.254
  502   2HE   LYS  91          1HE       LYS  91   1.475   6.380  -8.869
  503   1HZ   LYS  91          3HZ       LYS  91   0.706   8.612 -10.671
  504   2HZ   LYS  91          2HZ       LYS  91   0.084   7.042 -10.756
  505   3HZ   LYS  91          1HZ       LYS  91  -0.214   7.997  -9.392
  506    H    PHE  92           H        PHE  92   4.215   6.174  -3.891
  507    HA   PHE  92           HA       PHE  92   2.669   3.923  -3.317
  508   1HB   PHE  92          2HB       PHE  92   5.026   4.040  -2.762
  509   2HB   PHE  92          1HB       PHE  92   4.735   5.361  -1.641
  510    HD1  PHE  92           HD1      PHE  92   5.003   4.754   0.534
  511    HD2  PHE  92           HD2      PHE  92   3.275   1.953  -2.163
  512    HE1  PHE  92           HE1      PHE  92   4.760   3.138   2.374
  513    HE2  PHE  92           HE2      PHE  92   3.026   0.331  -0.328
  514    HZ   PHE  92           HZ       PHE  92   3.773   0.922   1.944
  515    H    LYS  93           H        LYS  93   3.105   6.797  -1.246
  516    HA   LYS  93           HA       LYS  93   1.162   6.171   0.641
  517   1HB   LYS  93          2HB       LYS  93   2.851   7.930   0.942
  518   2HB   LYS  93          1HB       LYS  93   2.056   8.910  -0.280
  519   1HG   LYS  93          2HG       LYS  93   0.433   8.027   2.039
  520   2HG   LYS  93          1HG       LYS  93   1.654   9.272   2.310
  521   1HD   LYS  93          2HD       LYS  93   0.665  10.621   0.516
  522   2HD   LYS  93          1HD       LYS  93  -0.559   9.378   0.258
  523   1HE   LYS  93          2HE       LYS  93  -1.476  11.167   1.602
  524   2HE   LYS  93          1HE       LYS  93  -1.342   9.699   2.569
  525   1HZ   LYS  93          1HZ       LYS  93   0.705  10.574   3.527
  526   2HZ   LYS  93          3HZ       LYS  93   0.552  11.988   2.611
  527   3HZ   LYS  93          2HZ       LYS  93  -0.590  11.624   3.805
  528    H    ILE  94           H        ILE  94   0.853   7.870  -2.438
  529    HA   ILE  94           HA       ILE  94  -1.755   8.824  -2.145
  530    HB   ILE  94           HB       ILE  94  -0.167   8.049  -4.574
  531   1HG1  ILE  94          2HG1      ILE  94  -1.212  10.725  -3.625
  532   2HG1  ILE  94          1HG1      ILE  94   0.401  10.113  -3.273
  533   1HG2  ILE  94          2HG2      ILE  94  -2.965   9.174  -4.531
  534   2HG2  ILE  94          1HG2      ILE  94  -1.944   9.023  -5.963
  535   3HG2  ILE  94          3HG2      ILE  94  -2.487   7.576  -5.107
  536   1HD1  ILE  94          3HD1      ILE  94  -0.709  10.684  -6.012
  537   2HD1  ILE  94          2HD1      ILE  94   0.429  11.692  -5.117
  538   3HD1  ILE  94          1HD1      ILE  94   0.910  10.083  -5.656
  539    H    LEU  95           H        LEU  95  -0.803   5.968  -4.059
  540    HA   LEU  95           HA       LEU  95  -3.260   4.919  -4.588
  541   1HB   LEU  95          2HB       LEU  95  -0.786   3.352  -3.851
  542   2HB   LEU  95          1HB       LEU  95  -2.176   2.715  -4.711
  543    HG   LEU  95           HG       LEU  95  -0.482   4.973  -5.767
  544   1HD1  LEU  95          2HD1      LEU  95   0.903   2.986  -5.508
  545   2HD1  LEU  95          1HD1      LEU  95  -0.293   2.028  -6.379
  546   3HD1  LEU  95          3HD1      LEU  95   0.579   3.314  -7.210
  547   1HD2  LEU  95          3HD2      LEU  95  -2.745   4.828  -6.676
  548   2HD2  LEU  95          2HD2      LEU  95  -1.538   4.404  -7.890
  549   3HD2  LEU  95          1HD2      LEU  95  -2.472   3.137  -7.095
  550    H    ILE  96           H        ILE  96  -1.493   4.771  -1.569
  551    HA   ILE  96           HA       ILE  96  -3.191   2.843  -0.349
  552    HB   ILE  96           HB       ILE  96  -1.298   4.834   0.897
  553   1HG1  ILE  96          2HG1      ILE  96  -0.926   1.865   0.505
  554   2HG1  ILE  96          1HG1      ILE  96  -0.399   3.050  -0.686
  555   1HG2  ILE  96          3HG2      ILE  96  -2.688   2.455   2.124
  556   2HG2  ILE  96          2HG2      ILE  96  -1.410   3.392   2.893
  557   3HG2  ILE  96          1HG2      ILE  96  -2.957   4.151   2.524
  558   1HD1  ILE  96          3HD1      ILE  96   0.513   3.032   2.176
  559   2HD1  ILE  96          2HD1      ILE  96   1.379   2.257   0.850
  560   3HD1  ILE  96          1HD1      ILE  96   1.149   4.005   0.851
  561    H    ASN  97           H        ASN  97  -3.090   6.378  -0.330
  562    HA   ASN  97           HA       ASN  97  -5.048   6.802   1.631
  563   1HB   ASN  97          2HB       ASN  97  -3.571   8.584   0.813
  564   2HB   ASN  97          1HB       ASN  97  -4.364   8.528  -0.757
  565   1HD2  ASN  97          1HD2      ASN  97  -5.012  10.662  -0.645
  566   2HD2  ASN  97          2HD2      ASN  97  -6.270  11.197   0.412
  567    H    LYS  98           H        LYS  98  -5.339   6.549  -1.903
  568    HA   LYS  98           HA       LYS  98  -8.090   7.012  -2.080
  569   1HB   LYS  98          2HB       LYS  98  -6.118   5.568  -3.815
  570   2HB   LYS  98          1HB       LYS  98  -7.831   5.505  -4.202
  571   1HG   LYS  98          2HG       LYS  98  -6.800   7.255  -5.474
  572   2HG   LYS  98          1HG       LYS  98  -7.869   7.976  -4.269
  573   1HD   LYS  98          2HD       LYS  98  -5.935   8.418  -2.827
  574   2HD   LYS  98          1HD       LYS  98  -4.871   7.704  -4.041
  575   1HE   LYS  98          2HE       LYS  98  -4.874  10.153  -4.155
  576   2HE   LYS  98          1HE       LYS  98  -5.499   9.425  -5.635
  577   1HZ   LYS  98          3HZ       LYS  98  -7.153  10.552  -3.440
  578   2HZ   LYS  98          2HZ       LYS  98  -6.843  11.307  -4.921
  579   3HZ   LYS  98          1HZ       LYS  98  -7.743   9.874  -4.874
  580    H    MET  99           H        MET  99  -6.335   3.917  -1.891
  581    HA   MET  99           HA       MET  99  -8.586   2.254  -1.889
  582   1HB   MET  99          2HB       MET  99  -6.217   1.521  -2.228
  583   2HB   MET  99          1HB       MET  99  -5.951   1.728  -0.504
  584   1HG   MET  99          2HG       MET  99  -8.132  -0.056  -1.500
  585   2HG   MET  99          1HG       MET  99  -6.465  -0.620  -1.438
  586   1HE   MET  99          3HE       MET  99  -5.053  -0.831   0.773
  587   2HE   MET  99          2HE       MET  99  -5.352   0.862   1.167
  588   3HE   MET  99          1HE       MET  99  -5.647  -0.388   2.374
  589    H    ARG 100           H        ARG 100  -7.062   4.084   0.660
  590    HA   ARG 100           HA       ARG 100  -8.175   2.799   2.888
  591   1HB   ARG 100          2HB       ARG 100  -6.355   4.484   2.991
  592   2HB   ARG 100          1HB       ARG 100  -7.525   5.736   2.592
  593   1HG   ARG 100          2HG       ARG 100  -8.784   4.845   4.687
  594   2HG   ARG 100          1HG       ARG 100  -7.209   4.174   5.113
  595   1HD   ARG 100          2HD       ARG 100  -7.867   7.067   4.583
  596   2HD   ARG 100          1HD       ARG 100  -7.463   6.342   6.138
  597    HE   ARG 100           HE       ARG 100  -5.317   5.816   4.507
  598   1HH1  ARG 100          1HH1      ARG 100  -6.984   8.665   5.623
  599   2HH1  ARG 100          2HH1      ARG 100  -5.572   9.668   5.576
  600   1HH2  ARG 100          1HH2      ARG 100  -3.453   7.130   4.442
  601   2HH2  ARG 100          2HH2      ARG 100  -3.566   8.795   4.903
  602    H    ASP 101           H        ASP 101  -9.336   5.650   1.090
  603    HA   ASP 101           HA       ASP 101 -11.744   5.862   2.600
  604   1HB   ASP 101          2HB       ASP 101 -11.043   7.036  -0.100
  605   2HB   ASP 101          1HB       ASP 101 -12.416   7.510   0.894
  606    H    SER 102           H        SER 102 -11.473   5.282  -0.909
  607    HA   SER 102           HA       SER 102 -13.076   2.915  -0.818
  608   1HB   SER 102          2HB       SER 102 -14.336   5.471  -1.839
  609   2HB   SER 102          1HB       SER 102 -14.982   3.858  -2.141
  610    HG   SER 102           HG       SER 102 -14.871   5.320   0.247
  611    H    LYS 103           H        LYS 103 -13.831   2.374  -3.165
  612    HA   LYS 103           HA       LYS 103 -11.551   2.935  -4.939
  613   1HB   LYS 103          2HB       LYS 103 -13.503   0.626  -4.958
  614   2HB   LYS 103          1HB       LYS 103 -12.172   0.840  -6.087
  615   1HG   LYS 103          2HG       LYS 103 -10.569   0.626  -4.284
  616   2HG   LYS 103          1HG       LYS 103 -11.880   0.497  -3.109
  617   1HD   LYS 103          2HD       LYS 103 -11.065  -1.710  -3.573
  618   2HD   LYS 103          1HD       LYS 103 -12.660  -1.546  -4.308
  619   1HE   LYS 103          2HE       LYS 103 -11.121  -2.677  -5.819
  620   2HE   LYS 103          1HE       LYS 103 -11.619  -1.120  -6.478
  621   1HZ   LYS 103          3HZ       LYS 103  -9.056  -1.649  -5.073
  622   2HZ   LYS 103          2HZ       LYS 103  -9.243  -1.500  -6.747
  623   3HZ   LYS 103          1HZ       LYS 103  -9.531  -0.169  -5.743
  624    H    LEU 104           H        LEU 104 -12.071   4.600  -6.234
  625    HA   LEU 104           HA       LEU 104 -14.569   4.382  -7.771
  626   1HB   LEU 104          2HB       LEU 104 -14.583   6.161  -5.946
  627   2HB   LEU 104          1HB       LEU 104 -13.378   7.005  -6.900
  628    HG   LEU 104           HG       LEU 104 -15.013   7.048  -8.802
  629   1HD1  LEU 104          2HD1      LEU 104 -16.902   6.051  -6.676
  630   2HD1  LEU 104          1HD1      LEU 104 -17.383   6.682  -8.251
  631   3HD1  LEU 104          3HD1      LEU 104 -16.430   5.202  -8.147
  632   1HD2  LEU 104          1HD2      LEU 104 -15.855   8.379  -6.231
  633   2HD2  LEU 104          3HD2      LEU 104 -14.674   8.994  -7.387
  634   3HD2  LEU 104          2HD2      LEU 104 -16.369   8.854  -7.850
  635    H    GLU 105           H        GLU 105 -11.432   6.067  -7.631
  636    HA   GLU 105           HA       GLU 105 -11.344   6.546 -10.440
  637   1HB   GLU 105          2HB       GLU 105  -9.132   6.605  -8.378
  638   2HB   GLU 105          1HB       GLU 105  -9.004   7.222 -10.020
  639   1HG   GLU 105          2HG       GLU 105 -10.723   8.875  -9.551
  640   2HG   GLU 105          1HG       GLU 105 -10.899   8.241  -7.916
  641    H    TRP 106           H        TRP 106 -11.523   4.686 -11.612
  642    HA   TRP 106           HA       TRP 106  -9.232   2.867 -11.476
  643   1HB   TRP 106          2HB       TRP 106 -10.932   0.977 -11.964
  644   2HB   TRP 106          1HB       TRP 106 -10.778   1.559 -10.308
  645    HD1  TRP 106           HD1      TRP 106 -12.885   3.259 -13.076
  646    HE1  TRP 106           HE1      TRP 106 -15.337   3.301 -12.293
  647    HE3  TRP 106           HE3      TRP 106 -12.410   0.540  -8.772
  648    HZ2  TRP 106           HZ2      TRP 106 -16.868   2.309 -10.140
  649    HZ3  TRP 106           HZ3      TRP 106 -14.418   0.128  -7.410
  650    HH2  TRP 106           HH2      TRP 106 -16.600   0.994  -8.082
  651    H    LYS 107           H        LYS 107 -10.536   5.047 -13.274
  652    HA   LYS 107           HA       LYS 107 -10.139   3.552 -15.775
  653   1HB   LYS 107          2HB       LYS 107 -12.549   3.946 -15.443
  654   2HB   LYS 107          1HB       LYS 107 -12.244   5.672 -15.307
  655   1HG   LYS 107          2HG       LYS 107 -13.076   5.165 -17.505
  656   2HG   LYS 107          1HG       LYS 107 -11.393   5.682 -17.617
  657   1HD   LYS 107          2HD       LYS 107 -10.650   3.425 -17.905
  658   2HD   LYS 107          1HD       LYS 107 -12.258   2.795 -17.548
  659   1HE   LYS 107          2HE       LYS 107 -11.560   4.533 -19.912
  660   2HE   LYS 107          1HE       LYS 107 -11.730   2.779 -19.962
  661   1HZ   LYS 107          1HZ       LYS 107 -13.875   4.695 -19.216
  662   2HZ   LYS 107          3HZ       LYS 107 -13.744   3.897 -20.702
  663   3HZ   LYS 107          2HZ       LYS 107 -14.035   3.013 -19.290
  664    H    ASP 108           H        ASP 108  -8.264   4.302 -16.524
  665    HA   ASP 108           HA       ASP 108  -7.706   7.179 -16.332
  666   1HB   ASP 108          2HB       ASP 108  -5.854   4.843 -16.851
  667   2HB   ASP 108          1HB       ASP 108  -5.352   6.531 -16.840

  No H/Q in entry =         667
  Start of MODEL   24
    1    H1   GLY  24          3H        GLY  24 -12.115 -21.511  -5.264
    2    H2   GLY  24          2H        GLY  24 -10.789 -20.612  -5.808
    3    H3   GLY  24          1H        GLY  24 -10.599 -21.715  -4.539
    4   1HA   GLY  24          2HA       GLY  24 -12.221 -19.229  -4.460
    5   2HA   GLY  24          1HA       GLY  24 -10.656 -19.456  -3.694
    6    H    SER  25           H        SER  25 -10.493 -20.700  -1.828
    7    HA   SER  25           HA       SER  25 -12.957 -20.892  -0.313
    8   1HB   SER  25          2HB       SER  25 -11.212 -23.322  -0.783
    9   2HB   SER  25          1HB       SER  25 -12.556 -23.240   0.356
   10    HG   SER  25           HG       SER  25 -13.259 -24.148  -1.579
   11    H    HIS  26           H        HIS  26 -12.501 -21.521   1.989
   12    HA   HIS  26           HA       HIS  26 -11.465 -21.071   3.959
   13   1HB   HIS  26          2HB       HIS  26  -9.950 -22.856   3.164
   14   2HB   HIS  26          1HB       HIS  26  -8.945 -21.641   2.381
   15    HD1  HIS  26           HD1      HIS  26  -7.291 -20.375   3.832
   16    HD2  HIS  26           HD2      HIS  26  -9.824 -22.849   6.010
   17    HE1  HIS  26           HE1      HIS  26  -6.343 -20.426   6.160
   18    HE2  HIS  26           HE2      HIS  26  -7.917 -21.893   7.472
   19    H    MET  27           H        MET  27 -11.912 -18.940   4.289
   20    HA   MET  27           HA       MET  27  -9.840 -17.029   3.436
   21   1HB   MET  27          2HB       MET  27 -11.519 -15.309   3.210
   22   2HB   MET  27          1HB       MET  27 -11.976 -16.692   2.225
   23   1HG   MET  27          2HG       MET  27 -13.082 -16.141   4.968
   24   2HG   MET  27          1HG       MET  27 -13.849 -15.626   3.468
   25   1HE   MET  27          1HE       MET  27 -13.318 -18.020   1.516
   26   2HE   MET  27          3HE       MET  27 -14.738 -19.033   1.777
   27   3HE   MET  27          2HE       MET  27 -14.909 -17.280   1.690
   28    H    ASN  28           H        ASN  28  -9.976 -14.960   4.828
   29    HA   ASN  28           HA       ASN  28 -10.561 -15.625   7.627
   30   1HB   ASN  28          2HB       ASN  28  -8.104 -15.948   7.042
   31   2HB   ASN  28          1HB       ASN  28  -8.029 -14.206   6.794
   32   1HD2  ASN  28          1HD2      ASN  28  -6.598 -15.794   8.718
   33   2HD2  ASN  28          2HD2      ASN  28  -7.037 -15.201  10.279
   34    H    ASN  29           H        ASN  29  -9.385 -12.971   5.543
   35    HA   ASN  29           HA       ASN  29 -11.534 -11.268   6.534
   36   1HB   ASN  29          2HB       ASN  29  -8.602 -10.596   6.814
   37   2HB   ASN  29          1HB       ASN  29  -9.883  -9.393   6.921
   38   1HD2  ASN  29          1HD2      ASN  29 -11.288  -9.426   8.678
   39   2HD2  ASN  29          2HD2      ASN  29 -10.909 -10.276  10.133
   40    H    GLU  30           H        GLU  30 -11.783  -9.288   5.276
   41    HA   GLU  30           HA       GLU  30 -10.728  -9.591   2.540
   42   1HB   GLU  30          2HB       GLU  30 -13.399  -8.539   3.480
   43   2HB   GLU  30          1HB       GLU  30 -12.820  -8.388   1.828
   44   1HG   GLU  30          2HG       GLU  30 -13.253 -10.987   3.284
   45   2HG   GLU  30          1HG       GLU  30 -14.370 -10.264   2.127
   46    H    ASP  31           H        ASP  31 -11.639  -7.304   5.071
   47    HA   ASP  31           HA       ASP  31 -10.810  -4.981   3.647
   48   1HB   ASP  31          2HB       ASP  31 -11.213  -5.415   6.614
   49   2HB   ASP  31          1HB       ASP  31 -10.994  -3.848   5.841
   50    H    PHE  32           H        PHE  32  -9.011  -3.588   4.248
   51    HA   PHE  32           HA       PHE  32  -6.587  -5.126   4.542
   52   1HB   PHE  32          2HB       PHE  32  -5.430  -3.032   4.048
   53   2HB   PHE  32          1HB       PHE  32  -6.722  -3.311   2.886
   54    HD1  PHE  32           HD1      PHE  32  -5.438  -1.146   5.479
   55    HD2  PHE  32           HD2      PHE  32  -8.813  -1.994   3.029
   56    HE1  PHE  32           HE1      PHE  32  -6.354   1.083   5.976
   57    HE2  PHE  32           HE2      PHE  32  -9.735   0.233   3.522
   58    HZ   PHE  32           HZ       PHE  32  -8.505   1.774   4.998
   59    H    SER  33           H        SER  33  -8.712  -3.734   6.672
   60    HA   SER  33           HA       SER  33  -7.035  -2.504   8.558
   61   1HB   SER  33          2HB       SER  33  -8.892  -2.833  10.143
   62   2HB   SER  33          1HB       SER  33  -9.473  -2.239   8.587
   63    HG   SER  33           HG       SER  33 -10.291  -4.367   9.854
   64    H    GLN  34           H        GLN  34  -7.353  -5.797   7.713
   65    HA   GLN  34           HA       GLN  34  -5.673  -6.523  10.002
   66   1HB   GLN  34          2HB       GLN  34  -8.131  -7.089  10.406
   67   2HB   GLN  34          1HB       GLN  34  -7.955  -8.291   9.136
   68   1HG   GLN  34          2HG       GLN  34  -6.263  -9.447  10.402
   69   2HG   GLN  34          1HG       GLN  34  -6.288  -8.193  11.640
   70   1HE2  GLN  34          1HE2      GLN  34  -9.188  -7.907  11.522
   71   2HE2  GLN  34          2HE2      GLN  34  -9.840  -9.290  12.329
   72    H    TRP  35           H        TRP  35  -5.130  -6.080   7.152
   73    HA   TRP  35           HA       TRP  35  -4.771  -8.614   5.891
   74   1HB   TRP  35          2HB       TRP  35  -3.989  -5.807   5.311
   75   2HB   TRP  35          1HB       TRP  35  -3.021  -7.067   4.559
   76    HD1  TRP  35           HD1      TRP  35  -6.333  -8.517   4.692
   77    HE1  TRP  35           HE1      TRP  35  -7.617  -8.162   2.490
   78    HE3  TRP  35           HE3      TRP  35  -3.395  -4.885   2.609
   79    HZ2  TRP  35           HZ2      TRP  35  -7.416  -6.557   0.180
   80    HZ3  TRP  35           HZ3      TRP  35  -4.011  -3.994   0.400
   81    HH2  TRP  35           HH2      TRP  35  -5.980  -4.815  -0.789
   82    H    SER  36           H        SER  36  -2.403  -9.070   5.039
   83    HA   SER  36           HA       SER  36  -0.617  -9.050   7.383
   84   1HB   SER  36          2HB       SER  36  -1.524 -11.301   6.934
   85   2HB   SER  36          1HB       SER  36  -0.891 -11.223   5.290
   86    HG   SER  36           HG       SER  36   0.358 -12.062   7.440
   87    H    VAL  37           H        VAL  37   1.724  -9.658   6.596
   88    HA   VAL  37           HA       VAL  37   2.690  -7.512   5.101
   89    HB   VAL  37           HB       VAL  37   4.020 -10.169   5.659
   90   1HG1  VAL  37          2HG1      VAL  37   5.203  -7.560   4.715
   91   2HG1  VAL  37          1HG1      VAL  37   6.132  -8.959   5.255
   92   3HG1  VAL  37          3HG1      VAL  37   5.127  -9.072   3.810
   93   1HG2  VAL  37          3HG2      VAL  37   3.354  -8.937   7.670
   94   2HG2  VAL  37          2HG2      VAL  37   5.109  -8.995   7.495
   95   3HG2  VAL  37          1HG2      VAL  37   4.229  -7.521   7.088
   96    H    ASP  38           H        ASP  38   2.119 -10.879   4.132
   97    HA   ASP  38           HA       ASP  38   3.116 -10.637   1.508
   98   1HB   ASP  38          2HB       ASP  38   2.752 -12.801   2.631
   99   2HB   ASP  38          1HB       ASP  38   1.012 -12.538   2.562
  100    H    ASP  39           H        ASP  39   0.005  -9.888   2.919
  101    HA   ASP  39           HA       ASP  39  -1.400  -9.681   0.441
  102   1HB   ASP  39          2HB       ASP  39  -2.045  -8.628   3.200
  103   2HB   ASP  39          1HB       ASP  39  -3.142  -8.535   1.824
  104    H    VAL  40           H        VAL  40   0.279  -7.393   2.538
  105    HA   VAL  40           HA       VAL  40  -0.548  -5.075   1.094
  106    HB   VAL  40           HB       VAL  40   1.787  -5.420   2.982
  107   1HG1  VAL  40          1HG1      VAL  40   0.445  -2.923   1.951
  108   2HG1  VAL  40          3HG1      VAL  40   1.674  -2.973   3.214
  109   3HG1  VAL  40          2HG1      VAL  40   2.078  -3.468   1.571
  110   1HG2  VAL  40          1HG2      VAL  40  -1.017  -4.419   3.470
  111   2HG2  VAL  40          3HG2      VAL  40  -0.334  -5.938   4.050
  112   3HG2  VAL  40          2HG2      VAL  40   0.295  -4.402   4.647
  113    H    ILE  41           H        ILE  41   2.305  -7.158   1.007
  114    HA   ILE  41           HA       ILE  41   3.854  -5.568  -0.729
  115    HB   ILE  41           HB       ILE  41   3.900  -8.549  -0.258
  116   1HG1  ILE  41          2HG1      ILE  41   5.764  -6.383   0.731
  117   2HG1  ILE  41          1HG1      ILE  41   4.428  -7.035   1.675
  118   1HG2  ILE  41          1HG2      ILE  41   5.872  -6.813  -1.738
  119   2HG2  ILE  41          3HG2      ILE  41   6.143  -8.495  -1.282
  120   3HG2  ILE  41          2HG2      ILE  41   4.865  -8.087  -2.426
  121   1HD1  ILE  41          2HD1      ILE  41   6.789  -8.597   0.658
  122   2HD1  ILE  41          1HD1      ILE  41   6.546  -8.037   2.312
  123   3HD1  ILE  41          3HD1      ILE  41   5.458  -9.239   1.618
  124    H    THR  42           H        THR  42   1.859  -8.444  -1.428
  125    HA   THR  42           HA       THR  42   2.212  -8.455  -4.191
  126    HB   THR  42           HB       THR  42  -0.290  -9.332  -2.741
  127    HG1  THR  42           HG1      THR  42   1.667 -11.184  -3.409
  128   1HG2  THR  42          2HG2      THR  42  -0.497  -9.237  -5.184
  129   2HG2  THR  42          1HG2      THR  42   0.944 -10.239  -5.345
  130   3HG2  THR  42          3HG2      THR  42  -0.514 -10.902  -4.604
  131    H    TRP  43           H        TRP  43  -0.511  -7.063  -2.341
  132    HA   TRP  43           HA       TRP  43  -1.899  -5.991  -4.499
  133   1HB   TRP  43          2HB       TRP  43  -2.953  -6.095  -2.344
  134   2HB   TRP  43          1HB       TRP  43  -1.724  -5.053  -1.632
  135    HD1  TRP  43           HD1      TRP  43  -4.777  -4.906  -3.963
  136    HE1  TRP  43           HE1      TRP  43  -5.608  -2.472  -4.060
  137    HE3  TRP  43           HE3      TRP  43  -1.021  -2.659  -1.322
  138    HZ2  TRP  43           HZ2      TRP  43  -4.778   0.066  -3.142
  139    HZ3  TRP  43           HZ3      TRP  43  -1.113  -0.225  -0.977
  140    HH2  TRP  43           HH2      TRP  43  -2.954   1.108  -1.868
  141    H    CYS  44           H        CYS  44   0.573  -4.462  -2.458
  142    HA   CYS  44           HA       CYS  44   0.559  -1.928  -3.586
  143   1HB   CYS  44          2HB       CYS  44   1.809  -2.366  -1.574
  144   2HB   CYS  44          1HB       CYS  44   2.847  -3.516  -2.411
  145    HG   CYS  44           HG       CYS  44   3.654  -0.584  -1.757
  146    H    ILE  45           H        ILE  45   2.984  -4.427  -4.314
  147    HA   ILE  45           HA       ILE  45   4.124  -3.231  -6.532
  148    HB   ILE  45           HB       ILE  45   3.775  -6.188  -6.022
  149   1HG1  ILE  45          2HG1      ILE  45   6.099  -4.386  -5.318
  150   2HG1  ILE  45          1HG1      ILE  45   4.853  -4.879  -4.176
  151   1HG2  ILE  45          1HG2      ILE  45   5.735  -4.719  -7.778
  152   2HG2  ILE  45          3HG2      ILE  45   5.779  -6.445  -7.421
  153   3HG2  ILE  45          2HG2      ILE  45   4.421  -5.765  -8.315
  154   1HD1  ILE  45          3HD1      ILE  45   5.497  -7.219  -4.506
  155   2HD1  ILE  45          2HD1      ILE  45   6.767  -6.699  -5.616
  156   3HD1  ILE  45          1HD1      ILE  45   6.835  -6.233  -3.917
  157    H    SER  46           H        SER  46   1.156  -5.061  -6.298
  158    HA   SER  46           HA       SER  46   0.825  -5.714  -9.009
  159   1HB   SER  46          2HB       SER  46  -0.493  -6.767  -7.239
  160   2HB   SER  46          1HB       SER  46  -1.286  -5.231  -6.897
  161    HG   SER  46           HG       SER  46  -1.407  -6.655  -9.351
  162    H    THR  47           H        THR  47   0.750  -2.662  -7.532
  163    HA   THR  47           HA       THR  47  -0.112  -1.442  -9.993
  164    HB   THR  47           HB       THR  47  -2.291  -1.885  -8.989
  165    HG1  THR  47           HG1      THR  47  -2.628  -0.030  -9.962
  166   1HG2  THR  47          1HG2      THR  47  -1.260  -0.273  -6.653
  167   2HG2  THR  47          3HG2      THR  47  -2.935  -0.783  -6.874
  168   3HG2  THR  47          2HG2      THR  47  -1.669  -1.990  -6.647
  169    H    LEU  48           H        LEU  48   2.165  -1.427  -7.935
  170    HA   LEU  48           HA       LEU  48   2.104   1.347  -7.053
  171   1HB   LEU  48          2HB       LEU  48   3.123  -0.791  -5.851
  172   2HB   LEU  48          1HB       LEU  48   4.535  -0.354  -6.788
  173    HG   LEU  48           HG       LEU  48   4.624   0.541  -4.506
  174   1HD1  LEU  48          2HD1      LEU  48   4.333   2.657  -6.630
  175   2HD1  LEU  48          1HD1      LEU  48   5.137   2.866  -5.075
  176   3HD1  LEU  48          3HD1      LEU  48   5.791   1.737  -6.261
  177   1HD2  LEU  48          2HD2      LEU  48   2.186   0.809  -4.207
  178   2HD2  LEU  48          1HD2      LEU  48   3.103   2.246  -3.757
  179   3HD2  LEU  48          3HD2      LEU  48   2.234   2.200  -5.291
  180    H    GLU  49           H        GLU  49   4.697  -0.525  -8.636
  181    HA   GLU  49           HA       GLU  49   4.904   1.534 -10.687
  182   1HB   GLU  49          2HB       GLU  49   7.076   0.861  -8.724
  183   2HB   GLU  49          1HB       GLU  49   7.443   1.537 -10.305
  184   1HG   GLU  49          2HG       GLU  49   5.641   2.825  -8.268
  185   2HG   GLU  49          1HG       GLU  49   7.343   3.221  -8.503
  186    H    VAL  50           H        VAL  50   6.664  -1.319  -9.475
  187    HA   VAL  50           HA       VAL  50   6.782  -2.309 -12.251
  188    HB   VAL  50           HB       VAL  50   8.824  -3.511 -11.626
  189   1HG1  VAL  50          2HG1      VAL  50   9.008  -1.261 -12.561
  190   2HG1  VAL  50          1HG1      VAL  50   8.933  -0.576 -10.938
  191   3HG1  VAL  50          3HG1      VAL  50  10.305  -1.579 -11.408
  192   1HG2  VAL  50          3HG2      VAL  50   8.497  -2.142  -8.958
  193   2HG2  VAL  50          2HG2      VAL  50   8.363  -3.873  -9.269
  194   3HG2  VAL  50          1HG2      VAL  50   9.914  -3.059  -9.471
  195    H    GLU  51           H        GLU  51   7.729  -4.855 -11.683
  196    HA   GLU  51           HA       GLU  51   5.312  -6.122 -10.612
  197   1HB   GLU  51          2HB       GLU  51   6.142  -8.147 -11.781
  198   2HB   GLU  51          1HB       GLU  51   5.905  -6.783 -12.867
  199   1HG   GLU  51          2HG       GLU  51   8.238  -6.371 -12.996
  200   2HG   GLU  51          1HG       GLU  51   8.575  -7.508 -11.691
  201    H    GLU  52           H        GLU  52   6.144  -8.582  -9.880
  202    HA   GLU  52           HA       GLU  52   7.487  -8.038  -7.396
  203   1HB   GLU  52          2HB       GLU  52   6.569 -10.672  -8.566
  204   2HB   GLU  52          1HB       GLU  52   7.090 -10.412  -6.906
  205   1HG   GLU  52          2HG       GLU  52   5.210  -8.908  -6.539
  206   2HG   GLU  52          1HG       GLU  52   4.694  -9.136  -8.210
  207    H    THR  53           H        THR  53   9.465  -7.291  -8.479
  208    HA   THR  53           HA       THR  53  11.376  -9.491  -8.698
  209    HB   THR  53           HB       THR  53  12.494  -8.427 -10.635
  210    HG1  THR  53           HG1      THR  53  10.580  -6.973 -11.673
  211   1HG2  THR  53          3HG2      THR  53   9.603  -9.159 -11.108
  212   2HG2  THR  53          2HG2      THR  53  10.858  -9.104 -12.346
  213   3HG2  THR  53          1HG2      THR  53  10.963 -10.278 -11.035
  214    H    ASP  54           H        ASP  54  10.918  -5.987  -8.705
  215    HA   ASP  54           HA       ASP  54  13.453  -5.211  -7.853
  216   1HB   ASP  54          2HB       ASP  54  11.799  -3.649  -8.759
  217   2HB   ASP  54          1HB       ASP  54  10.765  -3.904  -7.358
  218    HA   PRO  55           HA       PRO  55  13.787  -6.545  -3.636
  219   1HB   PRO  55          2HB       PRO  55  15.093  -4.339  -2.582
  220   2HB   PRO  55          1HB       PRO  55  15.875  -5.687  -3.411
  221   1HG   PRO  55          2HG       PRO  55  15.089  -3.005  -4.472
  222   2HG   PRO  55          1HG       PRO  55  16.553  -3.955  -4.793
  223   1HD   PRO  55          2HD       PRO  55  14.566  -3.845  -6.574
  224   2HD   PRO  55          1HD       PRO  55  15.466  -5.351  -6.301
  225    H    LEU  56           H        LEU  56  11.831  -4.025  -4.603
  226    HA   LEU  56           HA       LEU  56  11.117  -2.662  -2.305
  227   1HB   LEU  56          2HB       LEU  56  10.284  -2.148  -4.572
  228   2HB   LEU  56          1HB       LEU  56   9.288  -3.589  -4.524
  229    HG   LEU  56           HG       LEU  56   8.172  -2.535  -2.465
  230   1HD1  LEU  56          1HD1      LEU  56   9.520  -0.099  -3.622
  231   2HD1  LEU  56          3HD1      LEU  56   8.255  -0.086  -2.393
  232   3HD1  LEU  56          2HD1      LEU  56   9.823  -0.810  -2.036
  233   1HD2  LEU  56          1HD2      LEU  56   7.096  -2.758  -4.652
  234   2HD2  LEU  56          3HD2      LEU  56   6.647  -1.246  -3.862
  235   3HD2  LEU  56          2HD2      LEU  56   7.832  -1.240  -5.169
  236    H    CYS  57           H        CYS  57  10.473  -5.942  -3.212
  237    HA   CYS  57           HA       CYS  57   8.330  -6.380  -1.365
  238   1HB   CYS  57          2HB       CYS  57   8.463  -7.794  -3.304
  239   2HB   CYS  57          1HB       CYS  57  10.107  -8.280  -2.902
  240    HG   CYS  57           HG       CYS  57   8.066 -10.316  -2.479
  241    H    GLN  58           H        GLN  58  11.808  -7.081  -1.381
  242    HA   GLN  58           HA       GLN  58  11.947  -8.484   1.026
  243   1HB   GLN  58          2HB       GLN  58  13.788  -8.281  -0.648
  244   2HB   GLN  58          1HB       GLN  58  14.054  -6.632  -0.100
  245   1HG   GLN  58          2HG       GLN  58  14.587  -7.466   2.138
  246   2HG   GLN  58          1HG       GLN  58  14.336  -9.118   1.575
  247   1HE2  GLN  58          1HE2      GLN  58  15.842 -10.055   0.192
  248   2HE2  GLN  58          2HE2      GLN  58  17.425  -9.398  -0.024
  249    H    ARG  59           H        ARG  59  12.048  -5.010   0.391
  250    HA   ARG  59           HA       ARG  59  12.659  -4.212   3.034
  251   1HB   ARG  59          2HB       ARG  59  11.652  -2.877   0.578
  252   2HB   ARG  59          1HB       ARG  59  11.385  -2.047   2.105
  253   1HG   ARG  59          2HG       ARG  59  13.425  -1.273   1.071
  254   2HG   ARG  59          1HG       ARG  59  13.791  -2.135   2.566
  255   1HD   ARG  59          2HD       ARG  59  14.322  -4.147   1.243
  256   2HD   ARG  59          1HD       ARG  59  14.018  -3.234  -0.235
  257    HE   ARG  59           HE       ARG  59  15.895  -1.778   1.125
  258   1HH1  ARG  59          1HH1      ARG  59  15.676  -5.043  -0.076
  259   2HH1  ARG  59          2HH1      ARG  59  17.382  -5.197  -0.336
  260   1HH2  ARG  59          1HH2      ARG  59  18.138  -1.972   0.785
  261   2HH2  ARG  59          2HH2      ARG  59  18.781  -3.452   0.152
  262    H    LEU  60           H        LEU  60   9.552  -4.131   1.279
  263    HA   LEU  60           HA       LEU  60   7.957  -3.404   3.452
  264   1HB   LEU  60          2HB       LEU  60   7.265  -5.034   1.008
  265   2HB   LEU  60          1HB       LEU  60   6.081  -4.392   2.131
  266    HG   LEU  60           HG       LEU  60   8.002  -2.654   0.587
  267   1HD1  LEU  60          1HD1      LEU  60   6.583  -3.871  -0.973
  268   2HD1  LEU  60          3HD1      LEU  60   5.150  -3.371  -0.074
  269   3HD1  LEU  60          2HD1      LEU  60   6.133  -2.167  -0.907
  270   1HD2  LEU  60          3HD2      LEU  60   7.062  -1.684   2.641
  271   2HD2  LEU  60          2HD2      LEU  60   6.472  -0.869   1.192
  272   3HD2  LEU  60          1HD2      LEU  60   5.437  -2.016   2.041
  273    H    ARG  61           H        ARG  61   9.420  -6.415   2.663
  274    HA   ARG  61           HA       ARG  61   7.652  -8.090   4.155
  275   1HB   ARG  61          2HB       ARG  61   9.046  -8.971   2.335
  276   2HB   ARG  61          1HB       ARG  61  10.495  -8.577   3.249
  277   1HG   ARG  61          2HG       ARG  61   9.878 -10.177   4.964
  278   2HG   ARG  61          1HG       ARG  61   8.380 -10.542   4.106
  279   1HD   ARG  61          2HD       ARG  61  10.072 -12.242   3.674
  280   2HD   ARG  61          1HD       ARG  61   9.666 -11.364   2.200
  281    HE   ARG  61           HE       ARG  61  11.809 -10.014   3.065
  282   1HH1  ARG  61          1HH1      ARG  61  11.227 -13.430   2.706
  283   2HH1  ARG  61          2HH1      ARG  61  12.883 -13.808   2.371
  284   1HH2  ARG  61          1HH2      ARG  61  13.992 -10.501   2.623
  285   2HH2  ARG  61          2HH2      ARG  61  14.456 -12.142   2.322
  286    H    GLU  62           H        GLU  62  10.909  -6.794   4.781
  287    HA   GLU  62           HA       GLU  62  11.231  -7.848   7.347
  288   1HB   GLU  62          2HB       GLU  62  13.001  -6.749   5.926
  289   2HB   GLU  62          1HB       GLU  62  12.314  -5.197   6.379
  290   1HG   GLU  62          2HG       GLU  62  13.264  -7.176   8.421
  291   2HG   GLU  62          1HG       GLU  62  14.344  -6.002   7.671
  292    H    ASN  63           H        ASN  63  10.278  -4.519   6.483
  293    HA   ASN  63           HA       ASN  63   9.314  -4.040   9.163
  294   1HB   ASN  63          2HB       ASN  63   9.128  -2.305   6.689
  295   2HB   ASN  63          1HB       ASN  63   8.752  -1.795   8.334
  296   1HD2  ASN  63          1HD2      ASN  63  11.265  -2.634   6.089
  297   2HD2  ASN  63          2HD2      ASN  63  12.584  -2.024   7.022
  298    H    ASP  64           H        ASP  64   7.637  -5.549   9.380
  299    HA   ASP  64           HA       ASP  64   5.527  -5.945   7.610
  300   1HB   ASP  64          2HB       ASP  64   4.263  -6.724   9.649
  301   2HB   ASP  64          1HB       ASP  64   5.836  -7.480   9.414
  302    H    ILE  65           H        ILE  65   4.368  -4.321   6.765
  303    HA   ILE  65           HA       ILE  65   3.422  -2.185   8.547
  304    HB   ILE  65           HB       ILE  65   3.461  -2.252   5.526
  305   1HG1  ILE  65          2HG1      ILE  65   5.718  -2.102   6.448
  306   2HG1  ILE  65          1HG1      ILE  65   5.252  -0.568   5.725
  307   1HG2  ILE  65          3HG2      ILE  65   2.734  -0.043   7.444
  308   2HG2  ILE  65          2HG2      ILE  65   2.913   0.145   5.700
  309   3HG2  ILE  65          1HG2      ILE  65   1.643  -0.892   6.348
  310   1HD1  ILE  65          1HD1      ILE  65   4.743   0.308   7.961
  311   2HD1  ILE  65          3HD1      ILE  65   5.275  -1.220   8.663
  312   3HD1  ILE  65          2HD1      ILE  65   6.425  -0.199   7.799
  313    H    VAL  66           H        VAL  66   1.519  -2.733   9.426
  314    HA   VAL  66           HA       VAL  66  -0.411  -4.367   8.094
  315    HB   VAL  66           HB       VAL  66  -0.166  -4.279  10.571
  316   1HG1  VAL  66          3HG1      VAL  66  -1.446  -1.567  10.279
  317   2HG1  VAL  66          2HG1      VAL  66  -1.186  -2.419  11.802
  318   3HG1  VAL  66          1HG1      VAL  66   0.195  -1.895  10.837
  319   1HG2  VAL  66          3HG2      VAL  66  -2.220  -5.127   9.491
  320   2HG2  VAL  66          2HG2      VAL  66  -2.521  -4.420  11.078
  321   3HG2  VAL  66          1HG2      VAL  66  -2.922  -3.515   9.619
  322    H    GLY  67           H        GLY  67  -2.693  -3.620   7.760
  323   1HA   GLY  67          1HA       GLY  67  -4.192  -2.257   6.677
  324   2HA   GLY  67          2HA       GLY  67  -2.792  -1.520   5.915
  325    H    ASP  68           H        ASP  68  -3.407  -1.547   9.375
  326    HA   ASP  68           HA       ASP  68  -4.501   1.107   9.421
  327   1HB   ASP  68          2HB       ASP  68  -5.094  -0.595  11.119
  328   2HB   ASP  68          1HB       ASP  68  -3.431  -0.576  11.700
  329    H    LEU  69           H        LEU  69  -1.387  -0.146   9.152
  330    HA   LEU  69           HA       LEU  69  -0.134   2.192  10.389
  331   1HB   LEU  69          2HB       LEU  69   0.775   0.039  11.031
  332   2HB   LEU  69          1HB       LEU  69   1.028  -0.392   9.351
  333    HG   LEU  69           HG       LEU  69   2.739   1.342   9.146
  334   1HD1  LEU  69          2HD1      LEU  69   2.191   1.849  12.067
  335   2HD1  LEU  69          1HD1      LEU  69   3.538   2.524  11.148
  336   3HD1  LEU  69          3HD1      LEU  69   1.881   2.959  10.732
  337   1HD2  LEU  69          2HD2      LEU  69   3.366  -0.927   9.852
  338   2HD2  LEU  69          1HD2      LEU  69   4.439   0.298  10.530
  339   3HD2  LEU  69          3HD2      LEU  69   3.193  -0.438  11.538
  340    H    LEU  70           H        LEU  70  -1.096   1.009   7.352
  341    HA   LEU  70           HA       LEU  70   0.891   2.005   5.666
  342   1HB   LEU  70          2HB       LEU  70  -2.061   1.612   5.239
  343   2HB   LEU  70          1HB       LEU  70  -1.001   2.181   3.965
  344    HG   LEU  70           HG       LEU  70  -0.625  -0.444   5.409
  345   1HD1  LEU  70          2HD1      LEU  70  -1.911   0.111   2.737
  346   2HD1  LEU  70          1HD1      LEU  70  -1.544  -1.485   3.394
  347   3HD1  LEU  70          3HD1      LEU  70  -2.735  -0.455   4.190
  348   1HD2  LEU  70          2HD2      LEU  70   1.401   0.504   4.400
  349   2HD2  LEU  70          1HD2      LEU  70   0.874  -0.955   3.561
  350   3HD2  LEU  70          3HD2      LEU  70   0.565   0.631   2.853
  351    HA   PRO  71           HA       PRO  71  -1.223   6.233   5.567
  352   1HB   PRO  71          2HB       PRO  71  -3.594   6.700   6.662
  353   2HB   PRO  71          1HB       PRO  71  -3.466   5.755   5.174
  354   1HG   PRO  71          2HG       PRO  71  -3.954   4.835   7.966
  355   2HG   PRO  71          1HG       PRO  71  -4.599   4.199   6.444
  356   1HD   PRO  71          2HD       PRO  71  -2.406   3.181   7.899
  357   2HD   PRO  71          1HD       PRO  71  -2.883   2.734   6.251
  358    H    GLU  72           H        GLU  72  -0.782   4.601   8.469
  359    HA   GLU  72           HA       GLU  72  -1.112   6.829  10.260
  360   1HB   GLU  72          2HB       GLU  72  -1.439   4.481  10.978
  361   2HB   GLU  72          1HB       GLU  72   0.274   4.183  10.719
  362   1HG   GLU  72          2HG       GLU  72   0.819   5.835  12.437
  363   2HG   GLU  72          1HG       GLU  72  -0.901   6.122  12.699
  364    H    LEU  73           H        LEU  73   1.502   5.410   8.431
  365    HA   LEU  73           HA       LEU  73   3.538   6.916   9.831
  366   1HB   LEU  73          2HB       LEU  73   5.006   5.969   7.967
  367   2HB   LEU  73          1HB       LEU  73   4.309   4.837   9.111
  368    HG   LEU  73           HG       LEU  73   2.477   4.439   7.388
  369   1HD1  LEU  73          2HD1      LEU  73   4.462   5.887   5.648
  370   2HD1  LEU  73          1HD1      LEU  73   3.118   4.912   5.051
  371   3HD1  LEU  73          3HD1      LEU  73   2.801   6.369   5.992
  372   1HD2  LEU  73          2HD2      LEU  73   5.313   3.665   6.722
  373   2HD2  LEU  73          1HD2      LEU  73   4.235   2.822   7.835
  374   3HD2  LEU  73          3HD2      LEU  73   3.861   2.872   6.112
  375    H    CYS  74           H        CYS  74   5.226   7.760   7.878
  376    HA   CYS  74           HA       CYS  74   3.655   9.786   6.425
  377   1HB   CYS  74          2HB       CYS  74   6.378  10.111   7.701
  378   2HB   CYS  74          1HB       CYS  74   5.550  11.337   6.747
  379    HG   CYS  74           HG       CYS  74   3.461  11.682   8.555
  380    H    LEU  75           H        LEU  75   5.365  10.901   4.781
  381    HA   LEU  75           HA       LEU  75   5.836   8.912   2.810
  382   1HB   LEU  75          2HB       LEU  75   6.431  11.847   3.001
  383   2HB   LEU  75          1HB       LEU  75   7.054  10.900   1.665
  384    HG   LEU  75           HG       LEU  75   4.990  12.077   1.065
  385   1HD1  LEU  75          3HD1      LEU  75   5.517   9.974  -0.043
  386   2HD1  LEU  75          2HD1      LEU  75   4.652   9.086   1.212
  387   3HD1  LEU  75          1HD1      LEU  75   3.775  10.175   0.138
  388   1HD2  LEU  75          3HD2      LEU  75   3.952  12.103   3.289
  389   2HD2  LEU  75          2HD2      LEU  75   2.861  11.464   2.059
  390   3HD2  LEU  75          1HD2      LEU  75   3.676  10.364   3.172
  391    H    GLN  76           H        GLN  76   7.780  10.293   5.314
  392    HA   GLN  76           HA       GLN  76  10.328   9.765   4.201
  393   1HB   GLN  76          2HB       GLN  76  11.159  10.002   6.519
  394   2HB   GLN  76          1HB       GLN  76  10.103  11.320   6.037
  395   1HG   GLN  76          2HG       GLN  76   9.378  10.869   8.169
  396   2HG   GLN  76          1HG       GLN  76   8.248   9.935   7.191
  397   1HE2  GLN  76          1HE2      GLN  76  11.569   8.993   7.732
  398   2HE2  GLN  76          2HE2      GLN  76  11.223   7.618   8.717
  399    H    ASP  77           H        ASP  77   8.084   7.845   6.104
  400    HA   ASP  77           HA       ASP  77   9.861   5.697   6.648
  401   1HB   ASP  77          2HB       ASP  77   7.696   6.171   7.855
  402   2HB   ASP  77          1HB       ASP  77   6.848   5.556   6.441
  403    H    CYS  78           H        CYS  78   7.307   6.159   4.234
  404    HA   CYS  78           HA       CYS  78   7.604   3.732   2.881
  405   1HB   CYS  78          2HB       CYS  78   6.805   6.364   1.629
  406   2HB   CYS  78          1HB       CYS  78   6.361   4.749   1.088
  407    HG   CYS  78           HG       CYS  78   5.401   5.320   4.219
  408    H    GLN  79           H        GLN  79   9.288   6.805   2.526
  409    HA   GLN  79           HA       GLN  79  10.654   6.226   0.138
  410   1HB   GLN  79          2HB       GLN  79  10.444   8.478   1.309
  411   2HB   GLN  79          1HB       GLN  79  11.733   7.937   2.376
  412   1HG   GLN  79          2HG       GLN  79  13.235   7.709   0.489
  413   2HG   GLN  79          1HG       GLN  79  11.939   8.164  -0.617
  414   1HE2  GLN  79          1HE2      GLN  79  13.097   9.926  -1.393
  415   2HE2  GLN  79          2HE2      GLN  79  13.323  11.363  -0.461
  416    H    ASP  80           H        ASP  80  11.458   5.632   3.529
  417    HA   ASP  80           HA       ASP  80  14.057   4.628   3.110
  418   1HB   ASP  80          2HB       ASP  80  13.211   5.302   5.329
  419   2HB   ASP  80          1HB       ASP  80  12.088   3.943   5.308
  420    H    LEU  81           H        LEU  81  10.893   3.231   2.831
  421    HA   LEU  81           HA       LEU  81  11.710   0.500   2.751
  422   1HB   LEU  81          2HB       LEU  81   9.227   2.041   2.285
  423   2HB   LEU  81          1HB       LEU  81   9.332   0.496   1.468
  424    HG   LEU  81           HG       LEU  81   9.327  -0.712   3.464
  425   1HD1  LEU  81          2HD1      LEU  81  10.092   1.842   4.870
  426   2HD1  LEU  81          1HD1      LEU  81   9.669   0.338   5.689
  427   3HD1  LEU  81          3HD1      LEU  81  11.091   0.406   4.648
  428   1HD2  LEU  81          1HD2      LEU  81   7.174   0.397   3.003
  429   2HD2  LEU  81          3HD2      LEU  81   7.429   0.094   4.720
  430   3HD2  LEU  81          2HD2      LEU  81   7.651   1.718   4.069
  431    H    CYS  82           H        CYS  82  11.953   3.059   0.566
  432    HA   CYS  82           HA       CYS  82  12.076   1.272  -1.758
  433   1HB   CYS  82          2HB       CYS  82  10.664   3.270  -1.999
  434   2HB   CYS  82          1HB       CYS  82  12.045   4.296  -1.625
  435    HG   CYS  82           HG       CYS  82  12.589   2.236  -4.198
  436    H    ASP  83           H        ASP  83  13.870   1.677  -3.317
  437    HA   ASP  83           HA       ASP  83  16.363   1.365  -2.089
  438   1HB   ASP  83          2HB       ASP  83  15.892   0.539  -4.347
  439   2HB   ASP  83          1HB       ASP  83  15.752   2.194  -4.935
  440    H    GLY  84           H        GLY  84  14.634   4.214  -3.043
  441   1HA   GLY  84          1HA       GLY  84  17.016   5.889  -2.752
  442   2HA   GLY  84          2HA       GLY  84  15.733   6.100  -1.572
  443    H    ASP  85           H        ASP  85  13.689   5.504  -3.691
  444    HA   ASP  85           HA       ASP  85  13.907   7.997  -5.237
  445   1HB   ASP  85          2HB       ASP  85  13.656   5.933  -6.572
  446   2HB   ASP  85          1HB       ASP  85  12.136   5.598  -5.749
  447    H    LEU  86           H        LEU  86  12.599   9.638  -4.785
  448    HA   LEU  86           HA       LEU  86  10.744   9.468  -2.620
  449   1HB   LEU  86          2HB       LEU  86  12.094  11.484  -3.121
  450   2HB   LEU  86          1HB       LEU  86  11.181  11.705  -4.602
  451    HG   LEU  86           HG       LEU  86   9.109  11.927  -3.178
  452   1HD1  LEU  86          1HD1      LEU  86  11.149  12.116  -0.966
  453   2HD1  LEU  86          3HD1      LEU  86   9.432  12.495  -0.821
  454   3HD1  LEU  86          2HD1      LEU  86   9.944  10.843  -1.168
  455   1HD2  LEU  86          1HD2      LEU  86  10.234  13.859  -4.149
  456   2HD2  LEU  86          3HD2      LEU  86   9.591  14.240  -2.552
  457   3HD2  LEU  86          2HD2      LEU  86  11.316  13.940  -2.759
  458    H    ASN  87           H        ASN  87  10.408   9.956  -6.125
  459    HA   ASN  87           HA       ASN  87   7.663  10.264  -6.280
  460   1HB   ASN  87          2HB       ASN  87   9.481   8.851  -8.243
  461   2HB   ASN  87          1HB       ASN  87   7.858   9.432  -8.598
  462   1HD2  ASN  87          1HD2      ASN  87  11.154  10.325  -7.973
  463   2HD2  ASN  87          2HD2      ASN  87  11.022  11.967  -8.493
  464    H    LYS  88           H        LYS  88   9.513   7.438  -5.583
  465    HA   LYS  88           HA       LYS  88   7.576   5.478  -6.253
  466   1HB   LYS  88          2HB       LYS  88  10.219   5.592  -5.175
  467   2HB   LYS  88          1HB       LYS  88   9.234   4.582  -4.137
  468   1HG   LYS  88          2HG       LYS  88   9.422   4.209  -7.112
  469   2HG   LYS  88          1HG       LYS  88  10.459   3.377  -5.952
  470   1HD   LYS  88          2HD       LYS  88   8.383   2.495  -4.862
  471   2HD   LYS  88          1HD       LYS  88   7.461   3.181  -6.202
  472   1HE   LYS  88          2HE       LYS  88   7.925   0.802  -6.549
  473   2HE   LYS  88          1HE       LYS  88   8.694   1.802  -7.780
  474   1HZ   LYS  88          2HZ       LYS  88  10.780   1.617  -6.566
  475   2HZ   LYS  88          1HZ       LYS  88  10.039   0.644  -5.398
  476   3HZ   LYS  88          3HZ       LYS  88  10.191   0.089  -6.990
  477    H    ALA  89           H        ALA  89   8.574   6.939  -3.174
  478    HA   ALA  89           HA       ALA  89   6.620   5.657  -1.590
  479   1HB   ALA  89          1HB       ALA  89   8.123   8.224  -1.078
  480   2HB   ALA  89          3HB       ALA  89   7.210   7.310   0.123
  481   3HB   ALA  89          2HB       ALA  89   8.642   6.601  -0.624
  482    H    ILE  90           H        ILE  90   6.551   8.494  -3.595
  483    HA   ILE  90           HA       ILE  90   4.310   9.772  -2.451
  484    HB   ILE  90           HB       ILE  90   5.363   9.866  -5.280
  485   1HG1  ILE  90          2HG1      ILE  90   5.641  11.815  -2.981
  486   2HG1  ILE  90          1HG1      ILE  90   6.890  10.694  -3.506
  487   1HG2  ILE  90          2HG2      ILE  90   3.285  11.591  -3.938
  488   2HG2  ILE  90          1HG2      ILE  90   4.033  11.942  -5.495
  489   3HG2  ILE  90          3HG2      ILE  90   3.035  10.500  -5.301
  490   1HD1  ILE  90          3HD1      ILE  90   6.968  11.817  -5.679
  491   2HD1  ILE  90          2HD1      ILE  90   5.736  12.951  -5.127
  492   3HD1  ILE  90          1HD1      ILE  90   7.320  12.919  -4.349
  493    H    LYS  91           H        LYS  91   4.504   7.765  -5.407
  494    HA   LYS  91           HA       LYS  91   1.765   7.585  -5.880
  495   1HB   LYS  91          2HB       LYS  91   3.961   5.598  -6.492
  496   2HB   LYS  91          1HB       LYS  91   2.325   5.477  -7.123
  497   1HG   LYS  91          2HG       LYS  91   4.179   7.800  -7.608
  498   2HG   LYS  91          1HG       LYS  91   3.934   6.454  -8.721
  499   1HD   LYS  91          2HD       LYS  91   1.741   8.286  -7.754
  500   2HD   LYS  91          1HD       LYS  91   2.605   8.488  -9.278
  501   1HE   LYS  91          2HE       LYS  91   0.897   6.139  -8.462
  502   2HE   LYS  91          1HE       LYS  91   0.508   7.356  -9.676
  503   1HZ   LYS  91          2HZ       LYS  91   2.781   5.451  -9.835
  504   2HZ   LYS  91          1HZ       LYS  91   1.316   5.295 -10.667
  505   3HZ   LYS  91          3HZ       LYS  91   2.352   6.588 -11.012
  506    H    PHE  92           H        PHE  92   3.840   5.735  -3.752
  507    HA   PHE  92           HA       PHE  92   2.095   3.644  -3.105
  508   1HB   PHE  92          2HB       PHE  92   4.481   3.636  -2.549
  509   2HB   PHE  92          1HB       PHE  92   4.237   4.964  -1.424
  510    HD1  PHE  92           HD1      PHE  92   4.172   4.430   0.787
  511    HD2  PHE  92           HD2      PHE  92   2.848   1.547  -2.049
  512    HE1  PHE  92           HE1      PHE  92   3.791   2.817   2.607
  513    HE2  PHE  92           HE2      PHE  92   2.464  -0.069  -0.235
  514    HZ   PHE  92           HZ       PHE  92   2.938   0.564   2.097
  515    H    LYS  93           H        LYS  93   2.807   6.528  -1.133
  516    HA   LYS  93           HA       LYS  93   0.746   6.174   0.710
  517   1HB   LYS  93          2HB       LYS  93   2.622   7.682   1.100
  518   2HB   LYS  93          1HB       LYS  93   2.075   8.731  -0.199
  519   1HG   LYS  93          2HG       LYS  93   1.474   9.696   1.914
  520   2HG   LYS  93          1HG       LYS  93   0.011   9.182   1.073
  521   1HD   LYS  93          2HD       LYS  93  -0.070   7.156   2.431
  522   2HD   LYS  93          1HD       LYS  93   1.415   7.638   3.254
  523   1HE   LYS  93          2HE       LYS  93  -0.558   8.151   4.602
  524   2HE   LYS  93          1HE       LYS  93   0.300   9.618   4.131
  525   1HZ   LYS  93          1HZ       LYS  93  -1.323   9.955   2.371
  526   2HZ   LYS  93          3HZ       LYS  93  -2.146   8.549   2.827
  527   3HZ   LYS  93          2HZ       LYS  93  -2.086   9.873   3.877
  528    H    ILE  94           H        ILE  94   0.692   7.490  -2.507
  529    HA   ILE  94           HA       ILE  94  -1.726   8.954  -2.286
  530    HB   ILE  94           HB       ILE  94  -0.203   7.856  -4.628
  531   1HG1  ILE  94          2HG1      ILE  94  -0.950  10.682  -3.845
  532   2HG1  ILE  94          1HG1      ILE  94   0.571   9.908  -3.419
  533   1HG2  ILE  94          1HG2      ILE  94  -2.856   9.286  -4.725
  534   2HG2  ILE  94          3HG2      ILE  94  -1.819   8.979  -6.117
  535   3HG2  ILE  94          2HG2      ILE  94  -2.536   7.628  -5.234
  536   1HD1  ILE  94          2HD1      ILE  94  -0.399  10.439  -6.218
  537   2HD1  ILE  94          1HD1      ILE  94   0.804  11.385  -5.343
  538   3HD1  ILE  94          3HD1      ILE  94   1.142   9.709  -5.772
  539    H    LEU  95           H        LEU  95  -1.189   5.916  -4.083
  540    HA   LEU  95           HA       LEU  95  -3.792   5.235  -4.559
  541   1HB   LEU  95          2HB       LEU  95  -1.524   3.368  -3.865
  542   2HB   LEU  95          1HB       LEU  95  -3.041   2.869  -4.588
  543    HG   LEU  95           HG       LEU  95  -0.990   4.687  -5.854
  544   1HD1  LEU  95          3HD1      LEU  95  -0.326   2.325  -5.738
  545   2HD1  LEU  95          2HD1      LEU  95  -1.827   1.874  -6.549
  546   3HD1  LEU  95          1HD1      LEU  95  -0.627   2.852  -7.394
  547   1HD2  LEU  95          2HD2      LEU  95  -3.610   3.645  -6.927
  548   2HD2  LEU  95          1HD2      LEU  95  -3.238   5.322  -6.525
  549   3HD2  LEU  95          3HD2      LEU  95  -2.399   4.527  -7.858
  550    H    ILE  96           H        ILE  96  -1.996   4.851  -1.571
  551    HA   ILE  96           HA       ILE  96  -4.005   3.254  -0.310
  552    HB   ILE  96           HB       ILE  96  -1.741   4.797   0.953
  553   1HG1  ILE  96          2HG1      ILE  96  -1.854   1.860   0.254
  554   2HG1  ILE  96          1HG1      ILE  96  -1.117   3.071  -0.790
  555   1HG2  ILE  96          1HG2      ILE  96  -3.485   4.216   2.552
  556   2HG2  ILE  96          3HG2      ILE  96  -3.420   2.533   2.029
  557   3HG2  ILE  96          2HG2      ILE  96  -2.031   3.259   2.837
  558   1HD1  ILE  96          3HD1      ILE  96   0.452   3.631   1.017
  559   2HD1  ILE  96          2HD1      ILE  96  -0.262   2.353   2.002
  560   3HD1  ILE  96          1HD1      ILE  96   0.571   1.949   0.500
  561    H    ASN  97           H        ASN  97  -3.158   6.681  -0.285
  562    HA   ASN  97           HA       ASN  97  -4.925   7.449   1.779
  563   1HB   ASN  97          2HB       ASN  97  -3.047   8.850   0.991
  564   2HB   ASN  97          1HB       ASN  97  -3.894   9.110  -0.531
  565   1HD2  ASN  97          1HD2      ASN  97  -3.791   9.841   2.858
  566   2HD2  ASN  97          2HD2      ASN  97  -4.912  11.155   2.818
  567    H    LYS  98           H        LYS  98  -5.268   7.666  -1.763
  568    HA   LYS  98           HA       LYS  98  -7.895   8.660  -1.749
  569   1HB   LYS  98          2HB       LYS  98  -6.259   7.207  -3.812
  570   2HB   LYS  98          1HB       LYS  98  -7.932   7.641  -4.124
  571   1HG   LYS  98          2HG       LYS  98  -6.547   9.329  -5.063
  572   2HG   LYS  98          1HG       LYS  98  -7.337  10.012  -3.640
  573   1HD   LYS  98          2HD       LYS  98  -5.314   9.658  -2.330
  574   2HD   LYS  98          1HD       LYS  98  -4.525   8.919  -3.726
  575   1HE   LYS  98          2HE       LYS  98  -3.822  11.236  -3.454
  576   2HE   LYS  98          1HE       LYS  98  -4.723  11.022  -4.954
  577   1HZ   LYS  98          1HZ       LYS  98  -6.686  11.914  -3.851
  578   2HZ   LYS  98          3HZ       LYS  98  -5.807  12.133  -2.422
  579   3HZ   LYS  98          2HZ       LYS  98  -5.409  13.024  -3.803
  580    H    MET  99           H        MET  99  -6.646   5.350  -1.786
  581    HA   MET  99           HA       MET  99  -9.036   4.009  -2.316
  582   1HB   MET  99          2HB       MET  99  -6.799   2.942  -2.281
  583   2HB   MET  99          1HB       MET  99  -6.783   3.079  -0.529
  584   1HG   MET  99          2HG       MET  99  -8.833   1.671  -0.468
  585   2HG   MET  99          1HG       MET  99  -8.662   1.436  -2.206
  586   1HE   MET  99          2HE       MET  99  -7.228   0.715   1.334
  587   2HE   MET  99          1HE       MET  99  -5.708  -0.106   0.980
  588   3HE   MET  99          3HE       MET  99  -5.888   1.611   0.619
  589    H    ARG 100           H        ARG 100  -7.665   5.076   0.776
  590    HA   ARG 100           HA       ARG 100  -9.694   3.945   2.395
  591   1HB   ARG 100          2HB       ARG 100  -7.541   4.548   3.338
  592   2HB   ARG 100          1HB       ARG 100  -7.799   6.238   2.930
  593   1HG   ARG 100          2HG       ARG 100  -9.681   6.324   4.495
  594   2HG   ARG 100          1HG       ARG 100  -9.403   4.632   4.911
  595   1HD   ARG 100          2HD       ARG 100  -8.428   6.190   6.555
  596   2HD   ARG 100          1HD       ARG 100  -7.217   5.166   5.788
  597    HE   ARG 100           HE       ARG 100  -7.230   7.427   4.273
  598   1HH1  ARG 100          1HH1      ARG 100  -6.823   6.780   7.677
  599   2HH1  ARG 100          2HH1      ARG 100  -5.768   8.130   7.934
  600   1HH2  ARG 100          1HH2      ARG 100  -5.845   9.200   4.608
  601   2HH2  ARG 100          2HH2      ARG 100  -5.214   9.505   6.192
  602    H    ASP 101           H        ASP 101  -9.127   7.348   1.473
  603    HA   ASP 101           HA       ASP 101 -11.583   8.283   2.504
  604   1HB   ASP 101          2HB       ASP 101  -9.767   9.488   0.408
  605   2HB   ASP 101          1HB       ASP 101 -11.103  10.331   1.183
  606    H    SER 102           H        SER 102 -10.659   8.273  -0.940
  607    HA   SER 102           HA       SER 102 -13.332   8.423  -1.840
  608   1HB   SER 102          2HB       SER 102 -10.842   7.573  -3.337
  609   2HB   SER 102          1HB       SER 102 -12.386   7.987  -4.082
  610    HG   SER 102           HG       SER 102 -12.130  10.077  -3.010
  611    H    LYS 103           H        LYS 103 -14.737   6.915  -2.583
  612    HA   LYS 103           HA       LYS 103 -13.984   4.144  -2.878
  613   1HB   LYS 103          2HB       LYS 103 -14.389   4.482  -0.399
  614   2HB   LYS 103          1HB       LYS 103 -16.063   4.842  -0.797
  615   1HG   LYS 103          2HG       LYS 103 -16.491   2.657  -1.500
  616   2HG   LYS 103          1HG       LYS 103 -14.775   2.277  -1.657
  617   1HD   LYS 103          2HD       LYS 103 -15.666   1.193   0.310
  618   2HD   LYS 103          1HD       LYS 103 -14.545   2.464   0.797
  619   1HE   LYS 103          2HE       LYS 103 -16.430   3.954   1.252
  620   2HE   LYS 103          1HE       LYS 103 -17.554   2.692   0.748
  621   1HZ   LYS 103          2HZ       LYS 103 -15.671   2.491   3.037
  622   2HZ   LYS 103          1HZ       LYS 103 -17.327   2.809   3.161
  623   3HZ   LYS 103          3HZ       LYS 103 -16.794   1.316   2.570
  624    H    LEU 104           H        LEU 104 -15.204   6.455  -4.326
  625    HA   LEU 104           HA       LEU 104 -17.856   5.416  -4.982
  626   1HB   LEU 104          2HB       LEU 104 -17.447   7.879  -4.540
  627   2HB   LEU 104          1HB       LEU 104 -16.543   7.913  -6.043
  628    HG   LEU 104           HG       LEU 104 -18.756   6.930  -7.062
  629   1HD1  LEU 104          1HD1      LEU 104 -19.878   6.602  -4.920
  630   2HD1  LEU 104          3HD1      LEU 104 -19.769   8.330  -4.592
  631   3HD1  LEU 104          2HD1      LEU 104 -20.755   7.749  -5.933
  632   1HD2  LEU 104          1HD2      LEU 104 -18.397   9.808  -6.231
  633   2HD2  LEU 104          3HD2      LEU 104 -17.825   9.051  -7.719
  634   3HD2  LEU 104          2HD2      LEU 104 -19.556   9.248  -7.437
  635    H    GLU 105           H        GLU 105 -14.641   5.827  -6.267
  636    HA   GLU 105           HA       GLU 105 -15.303   5.216  -8.976
  637   1HB   GLU 105          2HB       GLU 105 -12.659   5.112  -7.511
  638   2HB   GLU 105          1HB       GLU 105 -12.845   4.920  -9.249
  639   1HG   GLU 105          2HG       GLU 105 -13.734   7.178  -9.418
  640   2HG   GLU 105          1HG       GLU 105 -13.589   7.373  -7.671
  641    H    TRP 106           H        TRP 106 -16.545   3.334  -8.879
  642    HA   TRP 106           HA       TRP 106 -15.026   0.896  -8.239
  643   1HB   TRP 106          2HB       TRP 106 -17.315  -0.137  -7.810
  644   2HB   TRP 106          1HB       TRP 106 -16.736   1.013  -6.609
  645    HD1  TRP 106           HD1      TRP 106 -18.884   1.328  -9.850
  646    HE1  TRP 106           HE1      TRP 106 -20.880   2.860  -9.313
  647    HE3  TRP 106           HE3      TRP 106 -17.826   2.373  -4.952
  648    HZ2  TRP 106           HZ2      TRP 106 -21.886   4.302  -7.111
  649    HZ3  TRP 106           HZ3      TRP 106 -19.365   3.829  -3.704
  650    HH2  TRP 106           HH2      TRP 106 -21.350   4.776  -4.762
  651    H    LYS 107           H        LYS 107 -15.621   2.573 -10.754
  652    HA   LYS 107           HA       LYS 107 -16.808   0.452 -12.404
  653   1HB   LYS 107          2HB       LYS 107 -17.837   2.696 -12.560
  654   2HB   LYS 107          1HB       LYS 107 -16.294   3.352 -13.091
  655   1HG   LYS 107          2HG       LYS 107 -16.378   1.939 -15.083
  656   2HG   LYS 107          1HG       LYS 107 -17.929   1.286 -14.550
  657   1HD   LYS 107          2HD       LYS 107 -18.871   3.571 -14.617
  658   2HD   LYS 107          1HD       LYS 107 -17.330   4.162 -15.243
  659   1HE   LYS 107          2HE       LYS 107 -18.926   3.824 -17.049
  660   2HE   LYS 107          1HE       LYS 107 -17.569   2.709 -17.197
  661   1HZ   LYS 107          3HZ       LYS 107 -20.239   2.046 -16.073
  662   2HZ   LYS 107          2HZ       LYS 107 -19.674   1.600 -17.604
  663   3HZ   LYS 107          1HZ       LYS 107 -18.937   0.974 -16.217
  664    H    ASP 108           H        ASP 108 -15.194  -0.919 -12.921
  665    HA   ASP 108           HA       ASP 108 -12.855   0.232 -14.289
  666   1HB   ASP 108          2HB       ASP 108 -12.202  -0.615 -12.073
  667   2HB   ASP 108          1HB       ASP 108 -12.874  -2.192 -12.477

  No H/Q in entry =         667
  Start of MODEL   25
    1    H1   GLY  24          3H        GLY  24 -10.523 -22.998  -2.426
    2    H2   GLY  24          2H        GLY  24 -10.481 -24.670  -2.676
    3    H3   GLY  24          1H        GLY  24 -11.942 -23.831  -2.822
    4   1HA   GLY  24          2HA       GLY  24 -10.377 -24.198  -0.325
    5   2HA   GLY  24          1HA       GLY  24 -11.871 -25.030  -0.731
    6    H    SER  25           H        SER  25 -11.096 -23.146   1.484
    7    HA   SER  25           HA       SER  25 -13.563 -21.780   1.669
    8   1HB   SER  25          2HB       SER  25 -12.615 -20.770   3.713
    9   2HB   SER  25          1HB       SER  25 -12.331 -22.509   3.658
   10    HG   SER  25           HG       SER  25 -10.496 -21.067   4.234
   11    H    HIS  26           H        HIS  26 -14.162 -19.954   0.722
   12    HA   HIS  26           HA       HIS  26 -12.092 -17.964   0.059
   13   1HB   HIS  26          2HB       HIS  26 -13.005 -19.167  -1.942
   14   2HB   HIS  26          1HB       HIS  26 -14.592 -18.515  -1.550
   15    HD1  HIS  26           HD1      HIS  26 -11.518 -17.739  -3.347
   16    HD2  HIS  26           HD2      HIS  26 -14.692 -15.601  -1.731
   17    HE1  HIS  26           HE1      HIS  26 -11.409 -15.466  -4.414
   18    HE2  HIS  26           HE2      HIS  26 -13.270 -14.155  -3.336
   19    H    MET  27           H        MET  27 -12.357 -16.130   1.133
   20    HA   MET  27           HA       MET  27 -15.088 -15.329   1.901
   21   1HB   MET  27          2HB       MET  27 -14.059 -14.204   3.866
   22   2HB   MET  27          1HB       MET  27 -13.869 -15.952   3.885
   23   1HG   MET  27          2HG       MET  27 -11.581 -15.732   3.102
   24   2HG   MET  27          1HG       MET  27 -11.764 -13.980   3.029
   25   1HE   MET  27          3HE       MET  27  -9.561 -13.763   4.459
   26   2HE   MET  27          2HE       MET  27  -9.342 -14.461   6.064
   27   3HE   MET  27          1HE       MET  27  -9.397 -15.509   4.647
   28    H    ASN  28           H        ASN  28 -15.302 -12.945   2.276
   29    HA   ASN  28           HA       ASN  28 -14.108 -11.543   0.028
   30   1HB   ASN  28          2HB       ASN  28 -16.253 -10.687   1.984
   31   2HB   ASN  28          1HB       ASN  28 -15.739  -9.763   0.576
   32   1HD2  ASN  28          1HD2      ASN  28 -16.272 -10.494  -1.483
   33   2HD2  ASN  28          2HD2      ASN  28 -17.511 -11.670  -1.743
   34    H    ASN  29           H        ASN  29 -12.214 -10.587   0.316
   35    HA   ASN  29           HA       ASN  29 -11.606  -9.397   2.934
   36   1HB   ASN  29          2HB       ASN  29  -9.719 -10.151   0.692
   37   2HB   ASN  29          1HB       ASN  29  -9.247  -9.510   2.262
   38   1HD2  ASN  29          1HD2      ASN  29 -11.296 -11.040   3.675
   39   2HD2  ASN  29          2HD2      ASN  29 -10.726 -12.670   3.716
   40    H    GLU  30           H        GLU  30 -12.561  -7.400   2.742
   41    HA   GLU  30           HA       GLU  30 -11.555  -5.678   0.573
   42   1HB   GLU  30          2HB       GLU  30 -14.128  -5.453   2.144
   43   2HB   GLU  30          1HB       GLU  30 -13.580  -4.298   0.936
   44   1HG   GLU  30          2HG       GLU  30 -14.282  -7.185   0.460
   45   2HG   GLU  30          1HG       GLU  30 -15.243  -5.780   0.002
   46    H    ASP  31           H        ASP  31 -11.793  -6.163   3.972
   47    HA   ASP  31           HA       ASP  31 -11.068  -3.442   4.646
   48   1HB   ASP  31          2HB       ASP  31 -11.070  -4.246   6.970
   49   2HB   ASP  31          1HB       ASP  31 -12.557  -4.689   6.139
   50    H    PHE  32           H        PHE  32  -9.072  -2.692   4.851
   51    HA   PHE  32           HA       PHE  32  -6.834  -4.494   4.456
   52   1HB   PHE  32          2HB       PHE  32  -5.496  -2.396   4.348
   53   2HB   PHE  32          1HB       PHE  32  -6.820  -2.437   3.189
   54    HD1  PHE  32           HD1      PHE  32  -8.765  -1.000   3.472
   55    HD2  PHE  32           HD2      PHE  32  -5.482  -0.836   6.174
   56    HE1  PHE  32           HE1      PHE  32  -9.582   1.157   4.327
   57    HE2  PHE  32           HE2      PHE  32  -6.294   1.321   7.036
   58    HZ   PHE  32           HZ       PHE  32  -8.346   2.320   6.112
   59    H    SER  33           H        SER  33  -8.541  -3.374   7.067
   60    HA   SER  33           HA       SER  33  -6.471  -2.792   8.914
   61   1HB   SER  33          2HB       SER  33  -9.304  -3.734   9.418
   62   2HB   SER  33          1HB       SER  33  -8.222  -3.050  10.632
   63    HG   SER  33           HG       SER  33  -8.130  -1.213   9.006
   64    H    GLN  34           H        GLN  34  -7.522  -5.725   7.551
   65    HA   GLN  34           HA       GLN  34  -6.113  -7.216   9.667
   66   1HB   GLN  34          2HB       GLN  34  -8.514  -8.089   8.055
   67   2HB   GLN  34          1HB       GLN  34  -7.584  -9.157   9.098
   68   1HG   GLN  34          2HG       GLN  34  -8.138  -7.707  11.017
   69   2HG   GLN  34          1HG       GLN  34  -9.145  -6.728   9.950
   70   1HE2  GLN  34          1HE2      GLN  34  -8.813  -9.758  11.604
   71   2HE2  GLN  34          2HE2      GLN  34 -10.437 -10.300  11.371
   72    H    TRP  35           H        TRP  35  -5.579  -6.088   6.761
   73    HA   TRP  35           HA       TRP  35  -4.946  -8.316   5.155
   74   1HB   TRP  35          2HB       TRP  35  -4.224  -5.424   5.149
   75   2HB   TRP  35          1HB       TRP  35  -3.232  -6.512   4.186
   76    HD1  TRP  35           HD1      TRP  35  -6.686  -7.797   4.153
   77    HE1  TRP  35           HE1      TRP  35  -7.885  -7.129   1.977
   78    HE3  TRP  35           HE3      TRP  35  -3.395  -4.266   2.455
   79    HZ2  TRP  35           HZ2      TRP  35  -7.494  -5.344  -0.171
   80    HZ3  TRP  35           HZ3      TRP  35  -3.885  -3.126   0.330
   81    HH2  TRP  35           HH2      TRP  35  -5.892  -3.656  -0.955
   82    H    SER  36           H        SER  36  -2.949  -9.298   4.694
   83    HA   SER  36           HA       SER  36  -1.101  -9.296   6.972
   84   1HB   SER  36          2HB       SER  36  -2.090 -11.464   6.340
   85   2HB   SER  36          1HB       SER  36  -1.403 -11.303   4.724
   86    HG   SER  36           HG       SER  36  -0.022 -12.557   5.937
   87    H    VAL  37           H        VAL  37   1.234  -9.970   6.217
   88    HA   VAL  37           HA       VAL  37   2.370  -7.778   4.930
   89    HB   VAL  37           HB       VAL  37   3.548 -10.542   5.262
   90   1HG1  VAL  37          3HG1      VAL  37   4.882  -7.896   4.705
   91   2HG1  VAL  37          2HG1      VAL  37   5.721  -9.396   5.096
   92   3HG1  VAL  37          1HG1      VAL  37   4.781  -9.273   3.609
   93   1HG2  VAL  37          1HG2      VAL  37   2.840  -9.548   7.379
   94   2HG2  VAL  37          3HG2      VAL  37   4.599  -9.630   7.267
   95   3HG2  VAL  37          2HG2      VAL  37   3.770  -8.095   7.011
   96    H    ASP  38           H        ASP  38   1.450 -10.939   3.652
   97    HA   ASP  38           HA       ASP  38   2.640 -10.633   1.107
   98   1HB   ASP  38          2HB       ASP  38   1.979 -12.820   1.984
   99   2HB   ASP  38          1HB       ASP  38   0.286 -12.337   1.944
  100    H    ASP  39           H        ASP  39  -0.650 -10.002   2.279
  101    HA   ASP  39           HA       ASP  39  -1.758  -9.277  -0.201
  102   1HB   ASP  39          2HB       ASP  39  -2.544  -8.437   2.595
  103   2HB   ASP  39          1HB       ASP  39  -3.525  -8.169   1.157
  104    H    VAL  40           H        VAL  40  -0.265  -7.309   2.347
  105    HA   VAL  40           HA       VAL  40  -0.739  -4.800   1.166
  106    HB   VAL  40           HB       VAL  40   1.505  -5.615   3.021
  107   1HG1  VAL  40          3HG1      VAL  40   0.432  -2.884   2.320
  108   2HG1  VAL  40          2HG1      VAL  40   1.603  -3.222   3.595
  109   3HG1  VAL  40          1HG1      VAL  40   2.023  -3.525   1.910
  110   1HG2  VAL  40          2HG2      VAL  40  -0.749  -6.051   3.914
  111   2HG2  VAL  40          1HG2      VAL  40   0.091  -4.782   4.806
  112   3HG2  VAL  40          3HG2      VAL  40  -1.167  -4.361   3.644
  113    H    ILE  41           H        ILE  41   2.241  -6.769   1.165
  114    HA   ILE  41           HA       ILE  41   3.756  -5.123  -0.496
  115    HB   ILE  41           HB       ILE  41   3.891  -8.118  -0.153
  116   1HG1  ILE  41          2HG1      ILE  41   5.554  -5.910   1.077
  117   2HG1  ILE  41          1HG1      ILE  41   4.228  -6.734   1.892
  118   1HG2  ILE  41          3HG2      ILE  41   5.885  -6.232  -1.405
  119   2HG2  ILE  41          2HG2      ILE  41   6.189  -7.926  -1.022
  120   3HG2  ILE  41          1HG2      ILE  41   4.975  -7.500  -2.228
  121   1HD1  ILE  41          1HD1      ILE  41   5.443  -8.845   1.718
  122   2HD1  ILE  41          3HD1      ILE  41   6.773  -8.009   0.916
  123   3HD1  ILE  41          2HD1      ILE  41   6.370  -7.621   2.589
  124    H    THR  42           H        THR  42   2.030  -8.105  -1.444
  125    HA   THR  42           HA       THR  42   2.473  -8.136  -4.123
  126    HB   THR  42           HB       THR  42  -0.174  -8.738  -2.790
  127    HG1  THR  42           HG1      THR  42   0.742 -10.932  -2.942
  128   1HG2  THR  42          3HG2      THR  42   0.929  -9.620  -5.462
  129   2HG2  THR  42          2HG2      THR  42  -0.552 -10.227  -4.719
  130   3HG2  THR  42          1HG2      THR  42  -0.437  -8.535  -5.202
  131    H    TRP  43           H        TRP  43  -0.148  -6.312  -2.531
  132    HA   TRP  43           HA       TRP  43  -1.008  -5.112  -4.985
  133   1HB   TRP  43          2HB       TRP  43  -2.463  -5.528  -2.955
  134   2HB   TRP  43          1HB       TRP  43  -1.643  -4.172  -2.187
  135    HD1  TRP  43           HD1      TRP  43  -4.080  -4.961  -5.045
  136    HE1  TRP  43           HE1      TRP  43  -5.300  -2.790  -5.697
  137    HE3  TRP  43           HE3      TRP  43  -1.459  -1.664  -2.151
  138    HZ2  TRP  43           HZ2      TRP  43  -5.166  -0.043  -5.069
  139    HZ3  TRP  43           HZ3      TRP  43  -2.068   0.721  -2.233
  140    HH2  TRP  43           HH2      TRP  43  -3.885   1.512  -3.662
  141    H    CYS  44           H        CYS  44   1.266  -4.320  -2.498
  142    HA   CYS  44           HA       CYS  44   1.508  -1.542  -3.075
  143   1HB   CYS  44          2HB       CYS  44   2.183  -2.401  -0.910
  144   2HB   CYS  44          1HB       CYS  44   3.382  -3.449  -1.661
  145    HG   CYS  44           HG       CYS  44   4.299  -0.973  -0.270
  146    H    ILE  45           H        ILE  45   2.508  -4.294  -4.750
  147    HA   ILE  45           HA       ILE  45   4.719  -2.855  -6.060
  148    HB   ILE  45           HB       ILE  45   4.030  -5.792  -6.202
  149   1HG1  ILE  45          2HG1      ILE  45   6.303  -4.446  -4.733
  150   2HG1  ILE  45          1HG1      ILE  45   4.821  -4.994  -3.960
  151   1HG2  ILE  45          1HG2      ILE  45   6.396  -4.240  -7.238
  152   2HG2  ILE  45          3HG2      ILE  45   6.273  -5.998  -7.217
  153   3HG2  ILE  45          2HG2      ILE  45   5.157  -5.048  -8.198
  154   1HD1  ILE  45          1HD1      ILE  45   5.328  -7.290  -4.649
  155   2HD1  ILE  45          3HD1      ILE  45   6.829  -6.725  -5.384
  156   3HD1  ILE  45          2HD1      ILE  45   6.599  -6.599  -3.640
  157    H    SER  46           H        SER  46   2.277  -5.243  -7.061
  158    HA   SER  46           HA       SER  46   2.327  -4.805  -9.759
  159   1HB   SER  46          2HB       SER  46   0.012  -5.713  -9.799
  160   2HB   SER  46          1HB       SER  46   1.110  -6.655  -8.789
  161    HG   SER  46           HG       SER  46  -0.500  -6.394  -7.424
  162    H    THR  47           H        THR  47  -0.311  -3.489  -7.745
  163    HA   THR  47           HA       THR  47  -1.126  -1.681  -9.787
  164    HB   THR  47           HB       THR  47  -2.671  -0.768  -8.077
  165    HG1  THR  47           HG1      THR  47  -0.930  -1.672  -6.384
  166   1HG2  THR  47          2HG2      THR  47  -3.305  -2.725  -9.418
  167   2HG2  THR  47          1HG2      THR  47  -2.597  -3.786  -8.200
  168   3HG2  THR  47          3HG2      THR  47  -4.000  -2.794  -7.798
  169    H    LEU  48           H        LEU  48   1.523  -1.423  -7.777
  170    HA   LEU  48           HA       LEU  48   1.177   1.445  -7.349
  171   1HB   LEU  48          2HB       LEU  48   2.326  -0.477  -5.801
  172   2HB   LEU  48          1HB       LEU  48   3.731   0.244  -6.562
  173    HG   LEU  48           HG       LEU  48   2.589   2.496  -5.790
  174   1HD1  LEU  48          1HD1      LEU  48   0.563   1.340  -4.960
  175   2HD1  LEU  48          3HD1      LEU  48   1.557   0.547  -3.738
  176   3HD1  LEU  48          2HD1      LEU  48   1.377   2.300  -3.728
  177   1HD2  LEU  48          2HD2      LEU  48   4.068   0.648  -3.921
  178   2HD2  LEU  48          1HD2      LEU  48   4.794   1.743  -5.097
  179   3HD2  LEU  48          3HD2      LEU  48   3.899   2.391  -3.724
  180    H    GLU  49           H        GLU  49   4.013  -0.465  -8.440
  181    HA   GLU  49           HA       GLU  49   4.302   1.406 -10.668
  182   1HB   GLU  49          2HB       GLU  49   6.372   0.936  -8.534
  183   2HB   GLU  49          1HB       GLU  49   6.787   1.563 -10.123
  184   1HG   GLU  49          2HG       GLU  49   4.837   2.849  -8.227
  185   2HG   GLU  49          1HG       GLU  49   6.527   3.316  -8.412
  186    H    VAL  50           H        VAL  50   6.682  -0.852  -9.369
  187    HA   VAL  50           HA       VAL  50   6.876  -2.112 -11.983
  188    HB   VAL  50           HB       VAL  50   8.879  -3.210 -11.095
  189   1HG1  VAL  50          2HG1      VAL  50   8.765  -0.251 -10.521
  190   2HG1  VAL  50          1HG1      VAL  50  10.238  -1.195 -10.750
  191   3HG1  VAL  50          3HG1      VAL  50   9.098  -1.000 -12.083
  192   1HG2  VAL  50          2HG2      VAL  50   8.156  -3.518  -8.790
  193   2HG2  VAL  50          1HG2      VAL  50   9.696  -2.662  -8.849
  194   3HG2  VAL  50          3HG2      VAL  50   8.207  -1.774  -8.528
  195    H    GLU  51           H        GLU  51   7.736  -4.582 -11.515
  196    HA   GLU  51           HA       GLU  51   5.356  -5.949 -10.483
  197   1HB   GLU  51          2HB       GLU  51   6.209  -7.892 -11.769
  198   2HB   GLU  51          1HB       GLU  51   5.931  -6.478 -12.778
  199   1HG   GLU  51          2HG       GLU  51   8.242  -6.022 -12.943
  200   2HG   GLU  51          1HG       GLU  51   8.634  -7.175 -11.668
  201    H    GLU  52           H        GLU  52   6.190  -8.402  -9.846
  202    HA   GLU  52           HA       GLU  52   7.617  -7.959  -7.388
  203   1HB   GLU  52          2HB       GLU  52   6.573 -10.510  -8.635
  204   2HB   GLU  52          1HB       GLU  52   7.243 -10.385  -7.015
  205   1HG   GLU  52          2HG       GLU  52   4.881 -10.387  -6.819
  206   2HG   GLU  52          1HG       GLU  52   5.438  -8.751  -6.474
  207    H    THR  53           H        THR  53   9.582  -7.208  -8.483
  208    HA   THR  53           HA       THR  53  11.429  -9.426  -8.872
  209    HB   THR  53           HB       THR  53  10.849  -8.801 -11.136
  210    HG1  THR  53           HG1      THR  53  13.411  -8.033 -10.187
  211   1HG2  THR  53          2HG2      THR  53  10.093  -6.532 -10.600
  212   2HG2  THR  53          1HG2      THR  53  11.767  -6.045 -10.363
  213   3HG2  THR  53          3HG2      THR  53  11.217  -6.555 -11.959
  214    H    ASP  54           H        ASP  54  10.897  -6.016  -8.349
  215    HA   ASP  54           HA       ASP  54  13.557  -5.356  -7.618
  216   1HB   ASP  54          2HB       ASP  54  11.990  -3.673  -8.431
  217   2HB   ASP  54          1HB       ASP  54  10.926  -3.968  -7.061
  218    HA   PRO  55           HA       PRO  55  13.849  -6.921  -3.484
  219   1HB   PRO  55          2HB       PRO  55  15.231  -4.378  -2.825
  220   2HB   PRO  55          1HB       PRO  55  15.782  -6.046  -2.626
  221   1HG   PRO  55          2HG       PRO  55  16.773  -4.518  -4.563
  222   2HG   PRO  55          1HG       PRO  55  16.427  -6.235  -4.850
  223   1HD   PRO  55          2HD       PRO  55  14.854  -3.821  -5.666
  224   2HD   PRO  55          1HD       PRO  55  15.187  -5.309  -6.575
  225    H    LEU  56           H        LEU  56  12.000  -4.253  -4.269
  226    HA   LEU  56           HA       LEU  56  11.438  -2.994  -1.868
  227   1HB   LEU  56          2HB       LEU  56  10.572  -2.145  -3.940
  228   2HB   LEU  56          1HB       LEU  56   9.636  -3.602  -4.208
  229    HG   LEU  56           HG       LEU  56   9.028  -2.076  -1.737
  230   1HD1  LEU  56          3HD1      LEU  56   9.308  -0.287  -3.382
  231   2HD1  LEU  56          2HD1      LEU  56   8.197  -1.117  -4.473
  232   3HD1  LEU  56          1HD1      LEU  56   7.617  -0.493  -2.928
  233   1HD2  LEU  56          2HD2      LEU  56   7.375  -3.450  -3.848
  234   2HD2  LEU  56          1HD2      LEU  56   7.809  -4.099  -2.267
  235   3HD2  LEU  56          3HD2      LEU  56   6.736  -2.703  -2.385
  236    H    CYS  57           H        CYS  57  10.381  -6.114  -3.038
  237    HA   CYS  57           HA       CYS  57   8.295  -6.518  -1.158
  238   1HB   CYS  57          2HB       CYS  57   8.385  -7.836  -3.191
  239   2HB   CYS  57          1HB       CYS  57   9.952  -8.495  -2.735
  240    HG   CYS  57           HG       CYS  57   7.167  -9.909  -2.304
  241    H    GLN  58           H        GLN  58  11.752  -7.053  -1.098
  242    HA   GLN  58           HA       GLN  58  11.765  -8.668   1.256
  243   1HB   GLN  58          2HB       GLN  58  13.935  -7.103  -0.140
  244   2HB   GLN  58          1HB       GLN  58  14.224  -8.116   1.268
  245   1HG   GLN  58          2HG       GLN  58  13.123  -9.065  -1.367
  246   2HG   GLN  58          1HG       GLN  58  14.790  -9.246  -0.825
  247   1HE2  GLN  58          1HE2      GLN  58  13.970  -9.748   1.942
  248   2HE2  GLN  58          2HE2      GLN  58  13.369 -11.367   1.971
  249    H    ARG  59           H        ARG  59  12.281  -5.229   0.604
  250    HA   ARG  59           HA       ARG  59  13.047  -4.457   3.178
  251   1HB   ARG  59          2HB       ARG  59  13.258  -3.024   1.177
  252   2HB   ARG  59          1HB       ARG  59  11.510  -2.837   1.141
  253   1HG   ARG  59          2HG       ARG  59  12.605  -0.895   2.124
  254   2HG   ARG  59          1HG       ARG  59  11.563  -1.709   3.292
  255   1HD   ARG  59          2HD       ARG  59  13.632  -1.093   4.364
  256   2HD   ARG  59          1HD       ARG  59  13.552  -2.848   4.218
  257    HE   ARG  59           HE       ARG  59  14.928  -1.725   2.013
  258   1HH1  ARG  59          1HH1      ARG  59  15.294  -2.459   5.401
  259   2HH1  ARG  59          2HH1      ARG  59  17.015  -2.626   5.311
  260   1HH2  ARG  59          1HH2      ARG  59  17.198  -1.944   1.888
  261   2HH2  ARG  59          2HH2      ARG  59  18.097  -2.334   3.315
  262    H    LEU  60           H        LEU  60   9.807  -4.415   1.688
  263    HA   LEU  60           HA       LEU  60   8.441  -3.504   3.967
  264   1HB   LEU  60          2HB       LEU  60   7.563  -5.063   1.553
  265   2HB   LEU  60          1HB       LEU  60   6.439  -4.647   2.832
  266    HG   LEU  60           HG       LEU  60   8.034  -2.620   1.262
  267   1HD1  LEU  60          2HD1      LEU  60   6.411  -3.887  -0.129
  268   2HD1  LEU  60          1HD1      LEU  60   5.128  -3.352   0.955
  269   3HD1  LEU  60          3HD1      LEU  60   6.039  -2.169   0.014
  270   1HD2  LEU  60          2HD2      LEU  60   5.713  -2.338   3.168
  271   2HD2  LEU  60          1HD2      LEU  60   7.380  -1.848   3.470
  272   3HD2  LEU  60          3HD2      LEU  60   6.431  -1.029   2.229
  273    H    ARG  61           H        ARG  61   9.140  -6.779   2.817
  274    HA   ARG  61           HA       ARG  61   7.654  -8.234   4.659
  275   1HB   ARG  61          2HB       ARG  61   8.749  -9.252   2.724
  276   2HB   ARG  61          1HB       ARG  61  10.327  -8.928   3.427
  277   1HG   ARG  61          2HG       ARG  61   9.827 -10.448   5.270
  278   2HG   ARG  61          1HG       ARG  61   8.235 -10.765   4.578
  279   1HD   ARG  61          2HD       ARG  61   9.271 -11.692   2.579
  280   2HD   ARG  61          1HD       ARG  61  10.871 -11.330   3.225
  281    HE   ARG  61           HE       ARG  61   9.607 -12.927   5.097
  282   1HH1  ARG  61          1HH1      ARG  61  10.617 -13.179   1.773
  283   2HH1  ARG  61          2HH1      ARG  61  10.896 -14.886   1.851
  284   1HH2  ARG  61          1HH2      ARG  61   9.972 -15.177   5.210
  285   2HH2  ARG  61          2HH2      ARG  61  10.528 -16.022   3.804
  286    H    GLU  62           H        GLU  62  10.884  -6.835   4.968
  287    HA   GLU  62           HA       GLU  62  11.583  -8.013   7.418
  288   1HB   GLU  62          2HB       GLU  62  13.178  -6.822   5.952
  289   2HB   GLU  62          1HB       GLU  62  12.390  -5.301   6.347
  290   1HG   GLU  62          2HG       GLU  62  13.037  -5.547   8.674
  291   2HG   GLU  62          1HG       GLU  62  13.784  -7.103   8.314
  292    H    ASN  63           H        ASN  63  10.389  -4.697   6.859
  293    HA   ASN  63           HA       ASN  63   9.605  -4.511   9.651
  294   1HB   ASN  63          2HB       ASN  63   9.446  -2.503   7.393
  295   2HB   ASN  63          1HB       ASN  63   8.983  -2.170   9.059
  296   1HD2  ASN  63          1HD2      ASN  63  11.031  -0.926   7.411
  297   2HD2  ASN  63          2HD2      ASN  63  12.522  -1.127   8.261
  298    H    ASP  64           H        ASP  64   7.907  -5.960   9.802
  299    HA   ASP  64           HA       ASP  64   5.777  -6.372   8.151
  300   1HB   ASP  64          2HB       ASP  64   6.107  -7.686  10.158
  301   2HB   ASP  64          1HB       ASP  64   5.781  -6.285  11.174
  302    H    ILE  65           H        ILE  65   4.697  -4.794   7.121
  303    HA   ILE  65           HA       ILE  65   3.713  -2.501   8.673
  304    HB   ILE  65           HB       ILE  65   3.901  -2.896   5.682
  305   1HG1  ILE  65          2HG1      ILE  65   6.061  -2.451   6.736
  306   2HG1  ILE  65          1HG1      ILE  65   5.543  -1.063   5.788
  307   1HG2  ILE  65          3HG2      ILE  65   2.836  -0.562   7.262
  308   2HG2  ILE  65          2HG2      ILE  65   3.191  -0.525   5.536
  309   3HG2  ILE  65          1HG2      ILE  65   1.937  -1.598   6.154
  310   1HD1  ILE  65          1HD1      ILE  65   4.825   0.061   7.831
  311   2HD1  ILE  65          3HD1      ILE  65   5.352  -1.329   8.780
  312   3HD1  ILE  65          2HD1      ILE  65   6.534  -0.371   7.888
  313    H    VAL  66           H        VAL  66   1.684  -2.547   9.352
  314    HA   VAL  66           HA       VAL  66  -0.209  -4.402   8.121
  315    HB   VAL  66           HB       VAL  66   0.068  -4.357  10.602
  316   1HG1  VAL  66          2HG1      VAL  66  -1.210  -1.640  10.354
  317   2HG1  VAL  66          1HG1      VAL  66  -0.961  -2.516  11.865
  318   3HG1  VAL  66          3HG1      VAL  66   0.427  -1.982  10.915
  319   1HG2  VAL  66          1HG2      VAL  66  -1.991  -5.192   9.520
  320   2HG2  VAL  66          3HG2      VAL  66  -2.281  -4.517  11.123
  321   3HG2  VAL  66          2HG2      VAL  66  -2.698  -3.585   9.686
  322    H    GLY  67           H        GLY  67  -2.487  -3.614   7.833
  323   1HA   GLY  67          1HA       GLY  67  -3.980  -2.216   6.787
  324   2HA   GLY  67          2HA       GLY  67  -2.579  -1.472   6.031
  325    H    ASP  68           H        ASP  68  -3.252  -1.585   9.488
  326    HA   ASP  68           HA       ASP  68  -4.278   1.092   9.596
  327   1HB   ASP  68          2HB       ASP  68  -4.914  -0.692  11.219
  328   2HB   ASP  68          1HB       ASP  68  -3.275  -0.649  11.859
  329    H    LEU  69           H        LEU  69  -1.255  -0.042   9.050
  330    HA   LEU  69           HA       LEU  69   0.062   2.159  10.493
  331   1HB   LEU  69          2HB       LEU  69   0.867  -0.138  10.970
  332   2HB   LEU  69          1HB       LEU  69   1.285  -0.321   9.277
  333    HG   LEU  69           HG       LEU  69   2.947   1.473   9.487
  334   1HD1  LEU  69          3HD1      LEU  69   2.154   1.477  12.396
  335   2HD1  LEU  69          2HD1      LEU  69   3.542   2.324  11.712
  336   3HD1  LEU  69          1HD1      LEU  69   1.907   2.787  11.239
  337   1HD2  LEU  69          3HD2      LEU  69   3.616  -0.848   9.847
  338   2HD2  LEU  69          2HD2      LEU  69   4.553   0.253  10.858
  339   3HD2  LEU  69          1HD2      LEU  69   3.241  -0.692  11.563
  340    H    LEU  70           H        LEU  70  -1.202   1.479   7.553
  341    HA   LEU  70           HA       LEU  70   0.882   2.414   5.837
  342   1HB   LEU  70          2HB       LEU  70  -2.078   2.104   5.345
  343   2HB   LEU  70          1HB       LEU  70  -0.898   2.492   4.109
  344    HG   LEU  70           HG       LEU  70  -0.900  -0.056   5.731
  345   1HD1  LEU  70          2HD1      LEU  70  -2.849   0.066   4.269
  346   2HD1  LEU  70          1HD1      LEU  70  -1.807   0.444   2.898
  347   3HD1  LEU  70          3HD1      LEU  70  -1.693  -1.130   3.686
  348   1HD2  LEU  70          3HD2      LEU  70   0.690   0.776   3.306
  349   2HD2  LEU  70          2HD2      LEU  70   1.313   0.593   4.945
  350   3HD2  LEU  70          1HD2      LEU  70   0.724  -0.815   4.063
  351    HA   PRO  71           HA       PRO  71  -1.504   6.544   5.824
  352   1HB   PRO  71          2HB       PRO  71  -3.626   6.952   7.393
  353   2HB   PRO  71          1HB       PRO  71  -3.771   6.066   5.870
  354   1HG   PRO  71          2HG       PRO  71  -3.619   5.016   8.666
  355   2HG   PRO  71          1HG       PRO  71  -4.647   4.484   7.323
  356   1HD   PRO  71          2HD       PRO  71  -2.300   3.245   8.087
  357   2HD   PRO  71          1HD       PRO  71  -3.024   3.125   6.471
  358    H    GLU  72           H        GLU  72  -0.475   4.962   8.611
  359    HA   GLU  72           HA       GLU  72  -0.402   7.345  10.279
  360   1HB   GLU  72          2HB       GLU  72   0.593   4.537  10.792
  361   2HB   GLU  72          1HB       GLU  72   0.614   5.846  11.967
  362   1HG   GLU  72          2HG       GLU  72  -1.831   4.625  10.709
  363   2HG   GLU  72          1HG       GLU  72  -1.259   4.363  12.355
  364    H    LEU  73           H        LEU  73   1.681   5.525   8.191
  365    HA   LEU  73           HA       LEU  73   4.108   6.711   9.222
  366   1HB   LEU  73          2HB       LEU  73   3.562   4.964   6.826
  367   2HB   LEU  73          1HB       LEU  73   5.155   5.557   7.249
  368    HG   LEU  73           HG       LEU  73   3.463   3.794   9.020
  369   1HD1  LEU  73          2HD1      LEU  73   5.813   3.108   7.262
  370   2HD1  LEU  73          1HD1      LEU  73   5.043   2.020   8.417
  371   3HD1  LEU  73          3HD1      LEU  73   4.142   2.601   7.016
  372   1HD2  LEU  73          1HD2      LEU  73   6.342   4.667   9.231
  373   2HD2  LEU  73          3HD2      LEU  73   5.015   5.209  10.259
  374   3HD2  LEU  73          2HD2      LEU  73   5.532   3.523  10.300
  375    H    CYS  74           H        CYS  74   5.483   8.111   8.044
  376    HA   CYS  74           HA       CYS  74   4.008   9.914   6.267
  377   1HB   CYS  74          2HB       CYS  74   6.626  10.318   7.731
  378   2HB   CYS  74          1HB       CYS  74   5.811  11.529   6.747
  379    HG   CYS  74           HG       CYS  74   4.588  10.186   9.649
  380    H    LEU  75           H        LEU  75   5.713  11.101   4.718
  381    HA   LEU  75           HA       LEU  75   6.361   9.229   2.729
  382   1HB   LEU  75          2HB       LEU  75   7.093  12.116   3.136
  383   2HB   LEU  75          1HB       LEU  75   7.695  11.208   1.764
  384    HG   LEU  75           HG       LEU  75   5.768  12.516   1.113
  385   1HD1  LEU  75          1HD1      LEU  75   6.078  10.351   0.035
  386   2HD1  LEU  75          3HD1      LEU  75   5.083   9.586   1.273
  387   3HD1  LEU  75          2HD1      LEU  75   4.368  10.761   0.170
  388   1HD2  LEU  75          1HD2      LEU  75   4.693  12.703   3.296
  389   2HD2  LEU  75          3HD2      LEU  75   3.561  12.130   2.071
  390   3HD2  LEU  75          2HD2      LEU  75   4.253  10.997   3.232
  391    H    GLN  76           H        GLN  76   8.118  10.318   5.478
  392    HA   GLN  76           HA       GLN  76  10.751   9.865   4.570
  393   1HB   GLN  76          2HB       GLN  76  10.327  11.149   6.584
  394   2HB   GLN  76          1HB       GLN  76   9.595   9.753   7.361
  395   1HG   GLN  76          2HG       GLN  76  11.850  10.149   8.177
  396   2HG   GLN  76          1HG       GLN  76  11.730   8.598   7.349
  397   1HE2  GLN  76          1HE2      GLN  76  13.933   8.522   6.953
  398   2HE2  GLN  76          2HE2      GLN  76  14.696   9.530   5.774
  399    H    ASP  77           H        ASP  77   8.657   7.800   6.596
  400    HA   ASP  77           HA       ASP  77  10.372   5.575   6.581
  401   1HB   ASP  77          2HB       ASP  77   7.368   5.654   6.932
  402   2HB   ASP  77          1HB       ASP  77   8.407   4.294   7.344
  403    H    CYS  78           H        CYS  78   7.604   6.409   4.526
  404    HA   CYS  78           HA       CYS  78   7.513   4.070   3.002
  405   1HB   CYS  78          2HB       CYS  78   6.862   6.891   2.119
  406   2HB   CYS  78          1HB       CYS  78   6.331   5.414   1.321
  407    HG   CYS  78           HG       CYS  78   5.306   4.934   4.271
  408    H    GLN  79           H        GLN  79   9.538   6.931   2.715
  409    HA   GLN  79           HA       GLN  79  10.608   6.347   0.165
  410   1HB   GLN  79          2HB       GLN  79  10.741   8.559   1.404
  411   2HB   GLN  79          1HB       GLN  79  12.023   7.844   2.371
  412   1HG   GLN  79          2HG       GLN  79  13.346   7.481   0.349
  413   2HG   GLN  79          1HG       GLN  79  12.058   8.203  -0.616
  414   1HE2  GLN  79          1HE2      GLN  79  11.723  10.414  -0.530
  415   2HE2  GLN  79          2HE2      GLN  79  12.887  11.503   0.137
  416    H    ASP  80           H        ASP  80  11.623   5.546   3.451
  417    HA   ASP  80           HA       ASP  80  14.058   4.291   2.794
  418   1HB   ASP  80          2HB       ASP  80  13.437   4.980   5.093
  419   2HB   ASP  80          1HB       ASP  80  12.209   3.715   5.125
  420    H    LEU  81           H        LEU  81  10.748   3.242   2.760
  421    HA   LEU  81           HA       LEU  81  11.202   0.453   2.594
  422   1HB   LEU  81          2HB       LEU  81   8.929   2.304   2.137
  423   2HB   LEU  81          1HB       LEU  81   8.820   0.726   1.389
  424    HG   LEU  81           HG       LEU  81   8.676  -0.384   3.428
  425   1HD1  LEU  81          3HD1      LEU  81   9.862   2.063   4.727
  426   2HD1  LEU  81          2HD1      LEU  81   9.251   0.661   5.602
  427   3HD1  LEU  81          1HD1      LEU  81  10.631   0.491   4.519
  428   1HD2  LEU  81          3HD2      LEU  81   6.686   0.970   3.021
  429   2HD2  LEU  81          2HD2      LEU  81   6.998   0.793   4.747
  430   3HD2  LEU  81          1HD2      LEU  81   7.404   2.301   3.930
  431    H    CYS  82           H        CYS  82  11.629   2.996   0.385
  432    HA   CYS  82           HA       CYS  82  11.607   1.164  -1.913
  433   1HB   CYS  82          2HB       CYS  82  10.245   3.191  -2.170
  434   2HB   CYS  82          1HB       CYS  82  11.656   4.190  -1.840
  435    HG   CYS  82           HG       CYS  82  12.165   4.492  -4.332
  436    H    ASP  83           H        ASP  83  13.369   1.487  -3.522
  437    HA   ASP  83           HA       ASP  83  15.882   1.108  -2.373
  438   1HB   ASP  83          2HB       ASP  83  15.251   1.995  -5.196
  439   2HB   ASP  83          1HB       ASP  83  16.767   1.283  -4.655
  440    H    GLY  84           H        GLY  84  14.250   4.021  -3.361
  441   1HA   GLY  84          1HA       GLY  84  16.695   5.606  -3.069
  442   2HA   GLY  84          2HA       GLY  84  15.399   5.894  -1.916
  443    H    ASP  85           H        ASP  85  13.249   5.499  -3.788
  444    HA   ASP  85           HA       ASP  85  13.620   7.858  -5.516
  445   1HB   ASP  85          2HB       ASP  85  13.254   5.746  -6.761
  446   2HB   ASP  85          1HB       ASP  85  11.716   5.543  -5.930
  447    H    LEU  86           H        LEU  86  12.506   9.591  -4.936
  448    HA   LEU  86           HA       LEU  86  10.653   9.591  -2.804
  449   1HB   LEU  86          2HB       LEU  86  12.026  11.534  -3.353
  450   2HB   LEU  86          1HB       LEU  86  11.211  11.696  -4.897
  451    HG   LEU  86           HG       LEU  86   9.081  12.134  -3.660
  452   1HD1  LEU  86          1HD1      LEU  86   9.691  11.049  -1.553
  453   2HD1  LEU  86          3HD1      LEU  86  10.910  12.291  -1.268
  454   3HD1  LEU  86          2HD1      LEU  86   9.201  12.725  -1.303
  455   1HD2  LEU  86          1HD2      LEU  86  11.388  14.000  -3.115
  456   2HD2  LEU  86          3HD2      LEU  86  10.390  13.964  -4.569
  457   3HD2  LEU  86          2HD2      LEU  86   9.679  14.429  -3.024
  458    H    ASN  87           H        ASN  87  10.218   9.928  -6.321
  459    HA   ASN  87           HA       ASN  87   7.483  10.359  -6.386
  460   1HB   ASN  87          2HB       ASN  87   8.931  10.512  -8.368
  461   2HB   ASN  87          1HB       ASN  87   9.134   8.764  -8.357
  462   1HD2  ASN  87          1HD2      ASN  87   6.959  11.398  -8.975
  463   2HD2  ASN  87          2HD2      ASN  87   5.774  10.484  -9.838
  464    H    LYS  88           H        LYS  88   9.240   7.452  -5.698
  465    HA   LYS  88           HA       LYS  88   7.158   5.591  -6.186
  466   1HB   LYS  88          2HB       LYS  88   9.855   5.540  -5.330
  467   2HB   LYS  88          1HB       LYS  88   8.909   4.719  -4.105
  468   1HG   LYS  88          2HG       LYS  88   8.845   4.059  -7.038
  469   2HG   LYS  88          1HG       LYS  88   9.798   3.199  -5.828
  470   1HD   LYS  88          2HD       LYS  88   7.651   2.737  -4.608
  471   2HD   LYS  88          1HD       LYS  88   6.796   3.400  -6.002
  472   1HE   LYS  88          2HE       LYS  88   7.878   1.709  -7.434
  473   2HE   LYS  88          1HE       LYS  88   8.658   1.027  -6.009
  474   1HZ   LYS  88          2HZ       LYS  88   6.438   0.587  -5.094
  475   2HZ   LYS  88          1HZ       LYS  88   5.736   1.160  -6.520
  476   3HZ   LYS  88          3HZ       LYS  88   6.700  -0.231  -6.551
  477    H    ALA  89           H        ALA  89   8.445   6.980  -3.182
  478    HA   ALA  89           HA       ALA  89   6.577   5.892  -1.427
  479   1HB   ALA  89          3HB       ALA  89   8.709   7.032  -0.798
  480   2HB   ALA  89          1HB       ALA  89   7.311   7.515   0.165
  481   3HB   ALA  89          2HB       ALA  89   7.912   8.575  -1.111
  482    H    ILE  90           H        ILE  90   6.307   8.585  -3.609
  483    HA   ILE  90           HA       ILE  90   4.046   9.808  -2.368
  484    HB   ILE  90           HB       ILE  90   5.005  10.012  -5.228
  485   1HG1  ILE  90          2HG1      ILE  90   5.468  11.877  -2.890
  486   2HG1  ILE  90          1HG1      ILE  90   6.652  10.724  -3.493
  487   1HG2  ILE  90          1HG2      ILE  90   3.073  11.728  -3.671
  488   2HG2  ILE  90          3HG2      ILE  90   3.701  12.105  -5.275
  489   3HG2  ILE  90          2HG2      ILE  90   2.686  10.683  -5.038
  490   1HD1  ILE  90          3HD1      ILE  90   6.653  11.883  -5.653
  491   2HD1  ILE  90          2HD1      ILE  90   5.508  13.057  -5.007
  492   3HD1  ILE  90          1HD1      ILE  90   7.129  12.937  -4.323
  493    H    LYS  91           H        LYS  91   4.370   7.803  -5.311
  494    HA   LYS  91           HA       LYS  91   1.629   7.518  -5.812
  495   1HB   LYS  91          2HB       LYS  91   3.952   5.700  -6.473
  496   2HB   LYS  91          1HB       LYS  91   2.322   5.450  -7.081
  497   1HG   LYS  91          2HG       LYS  91   3.871   7.984  -7.541
  498   2HG   LYS  91          1HG       LYS  91   3.920   6.606  -8.641
  499   1HD   LYS  91          2HD       LYS  91   1.396   8.040  -7.820
  500   2HD   LYS  91          1HD       LYS  91   2.294   8.377  -9.301
  501   1HE   LYS  91          2HE       LYS  91   1.974   6.034  -9.996
  502   2HE   LYS  91          1HE       LYS  91   1.025   5.747  -8.539
  503   1HZ   LYS  91          1HZ       LYS  91   0.342   7.678 -10.690
  504   2HZ   LYS  91          3HZ       LYS  91  -0.388   6.171 -10.450
  505   3HZ   LYS  91          2HZ       LYS  91  -0.573   7.392  -9.295
  506    H    PHE  92           H        PHE  92   3.627   6.167  -3.412
  507    HA   PHE  92           HA       PHE  92   2.127   3.803  -2.872
  508   1HB   PHE  92          2HB       PHE  92   4.484   4.021  -2.238
  509   2HB   PHE  92          1HB       PHE  92   4.084   5.349  -1.158
  510    HD1  PHE  92           HD1      PHE  92   2.776   1.890  -1.718
  511    HD2  PHE  92           HD2      PHE  92   4.229   4.788   1.039
  512    HE1  PHE  92           HE1      PHE  92   2.469   0.286   0.123
  513    HE2  PHE  92           HE2      PHE  92   3.920   3.192   2.887
  514    HZ   PHE  92           HZ       PHE  92   3.044   0.936   2.429
  515    H    LYS  93           H        LYS  93   2.560   6.719  -0.872
  516    HA   LYS  93           HA       LYS  93   0.421   6.240   0.849
  517   1HB   LYS  93          2HB       LYS  93   2.226   7.863   1.287
  518   2HB   LYS  93          1HB       LYS  93   1.582   8.909   0.027
  519   1HG   LYS  93          2HG       LYS  93  -0.530   9.073   1.330
  520   2HG   LYS  93          1HG       LYS  93   0.252   8.161   2.622
  521   1HD   LYS  93          2HD       LYS  93   0.385  10.512   3.126
  522   2HD   LYS  93          1HD       LYS  93   2.000   9.919   2.736
  523   1HE   LYS  93          2HE       LYS  93   1.588  12.074   1.680
  524   2HE   LYS  93          1HE       LYS  93   1.778  10.808   0.468
  525   1HZ   LYS  93          1HZ       LYS  93  -0.632  10.703   0.263
  526   2HZ   LYS  93          3HZ       LYS  93  -0.804  11.933   1.412
  527   3HZ   LYS  93          2HZ       LYS  93  -0.065  12.261  -0.073
  528    H    ILE  94           H        ILE  94   0.497   7.695  -2.327
  529    HA   ILE  94           HA       ILE  94  -2.019   8.973  -2.248
  530    HB   ILE  94           HB       ILE  94  -0.271   8.024  -4.493
  531   1HG1  ILE  94          2HG1      ILE  94  -1.264  10.759  -3.656
  532   2HG1  ILE  94          1HG1      ILE  94   0.316  10.087  -3.266
  533   1HG2  ILE  94          3HG2      ILE  94  -3.006   9.265  -4.777
  534   2HG2  ILE  94          2HG2      ILE  94  -1.853   9.030  -6.091
  535   3HG2  ILE  94          1HG2      ILE  94  -2.541   7.632  -5.259
  536   1HD1  ILE  94          1HD1      ILE  94  -0.707  10.697  -6.029
  537   2HD1  ILE  94          3HD1      ILE  94   0.450  11.658  -5.110
  538   3HD1  ILE  94          2HD1      ILE  94   0.878  10.031  -5.637
  539    H    LEU  95           H        LEU  95  -1.169   5.994  -4.025
  540    HA   LEU  95           HA       LEU  95  -3.730   5.199  -4.655
  541   1HB   LEU  95          2HB       LEU  95  -1.310   3.504  -4.052
  542   2HB   LEU  95          1HB       LEU  95  -2.787   2.879  -4.762
  543    HG   LEU  95           HG       LEU  95  -1.035   5.001  -6.007
  544   1HD1  LEU  95          2HD1      LEU  95  -1.331   2.070  -6.635
  545   2HD1  LEU  95          1HD1      LEU  95  -0.456   3.239  -7.624
  546   3HD1  LEU  95          3HD1      LEU  95   0.101   2.872  -5.992
  547   1HD2  LEU  95          1HD2      LEU  95  -3.431   3.517  -7.083
  548   2HD2  LEU  95          3HD2      LEU  95  -3.375   5.224  -6.641
  549   3HD2  LEU  95          2HD2      LEU  95  -2.414   4.633  -7.997
  550    H    ILE  96           H        ILE  96  -2.082   5.007  -1.611
  551    HA   ILE  96           HA       ILE  96  -3.854   3.096  -0.444
  552    HB   ILE  96           HB       ILE  96  -1.900   5.026   0.808
  553   1HG1  ILE  96          2HG1      ILE  96  -1.768   2.017   0.574
  554   2HG1  ILE  96          1HG1      ILE  96  -1.050   3.108  -0.606
  555   1HG2  ILE  96          1HG2      ILE  96  -3.694   4.561   2.392
  556   2HG2  ILE  96          3HG2      ILE  96  -3.479   2.828   2.141
  557   3HG2  ILE  96          2HG2      ILE  96  -2.197   3.777   2.892
  558   1HD1  ILE  96          3HD1      ILE  96  -0.346   2.995   2.317
  559   2HD1  ILE  96          2HD1      ILE  96   0.584   2.272   1.002
  560   3HD1  ILE  96          1HD1      ILE  96   0.406   4.024   1.098
  561    H    ASN  97           H        ASN  97  -3.657   6.610  -0.531
  562    HA   ASN  97           HA       ASN  97  -5.712   7.125   1.333
  563   1HB   ASN  97          2HB       ASN  97  -4.076   8.830   0.608
  564   2HB   ASN  97          1HB       ASN  97  -4.801   8.828  -0.998
  565   1HD2  ASN  97          1HD2      ASN  97  -6.823   9.755  -1.300
  566   2HD2  ASN  97          2HD2      ASN  97  -7.529  10.819  -0.136
  567    H    LYS  98           H        LYS  98  -5.720   6.826  -2.204
  568    HA   LYS  98           HA       LYS  98  -8.410   7.432  -2.646
  569   1HB   LYS  98          2HB       LYS  98  -6.662   5.502  -4.186
  570   2HB   LYS  98          1HB       LYS  98  -8.162   6.212  -4.765
  571   1HG   LYS  98          2HG       LYS  98  -5.685   7.766  -4.049
  572   2HG   LYS  98          1HG       LYS  98  -6.156   7.298  -5.684
  573   1HD   LYS  98          2HD       LYS  98  -8.255   8.572  -5.408
  574   2HD   LYS  98          1HD       LYS  98  -7.704   9.090  -3.813
  575   1HE   LYS  98          2HE       LYS  98  -6.319   9.657  -6.433
  576   2HE   LYS  98          1HE       LYS  98  -7.293  10.804  -5.514
  577   1HZ   LYS  98          3HZ       LYS  98  -5.713  10.629  -3.692
  578   2HZ   LYS  98          2HZ       LYS  98  -4.778   9.530  -4.577
  579   3HZ   LYS  98          1HZ       LYS  98  -4.937  11.127  -5.112
  580    H    MET  99           H        MET  99  -6.846   4.285  -2.115
  581    HA   MET  99           HA       MET  99  -9.224   2.759  -2.226
  582   1HB   MET  99          2HB       MET  99  -6.970   1.794  -2.510
  583   2HB   MET  99          1HB       MET  99  -6.619   2.131  -0.821
  584   1HG   MET  99          2HG       MET  99  -7.163  -0.173  -1.014
  585   2HG   MET  99          1HG       MET  99  -8.502   0.632  -0.197
  586   1HE   MET  99          3HE       MET  99  -7.541   0.530  -4.026
  587   2HE   MET  99          2HE       MET  99  -7.245  -1.111  -3.452
  588   3HE   MET  99          1HE       MET  99  -8.561  -0.797  -4.582
  589    H    ARG 100           H        ARG 100  -7.712   4.628   0.270
  590    HA   ARG 100           HA       ARG 100  -8.967   3.440   2.510
  591   1HB   ARG 100          2HB       ARG 100  -6.970   4.929   2.615
  592   2HB   ARG 100          1HB       ARG 100  -8.007   6.291   2.209
  593   1HG   ARG 100          2HG       ARG 100  -9.292   5.915   4.260
  594   2HG   ARG 100          1HG       ARG 100  -8.227   4.569   4.671
  595   1HD   ARG 100          2HD       ARG 100  -6.311   6.147   4.643
  596   2HD   ARG 100          1HD       ARG 100  -7.449   7.466   4.374
  597    HE   ARG 100           HE       ARG 100  -8.246   6.048   6.654
  598   1HH1  ARG 100          1HH1      ARG 100  -5.662   8.122   5.577
  599   2HH1  ARG 100          2HH1      ARG 100  -5.331   8.747   7.158
  600   1HH2  ARG 100          1HH2      ARG 100  -7.817   6.863   8.740
  601   2HH2  ARG 100          2HH2      ARG 100  -6.556   8.031   8.956
  602    H    ASP 101           H        ASP 101  -9.811   6.244   0.498
  603    HA   ASP 101           HA       ASP 101 -12.194   6.827   1.965
  604   1HB   ASP 101          2HB       ASP 101 -11.307   7.737  -0.780
  605   2HB   ASP 101          1HB       ASP 101 -12.676   8.397   0.110
  606    H    SER 102           H        SER 102 -11.915   5.960  -1.484
  607    HA   SER 102           HA       SER 102 -13.548   3.688  -1.404
  608   1HB   SER 102          2HB       SER 102 -15.324   5.259  -0.732
  609   2HB   SER 102          1HB       SER 102 -15.034   6.209  -2.189
  610    HG   SER 102           HG       SER 102 -15.950   4.683  -3.391
  611    H    LYS 103           H        LYS 103 -14.251   2.990  -3.588
  612    HA   LYS 103           HA       LYS 103 -13.425   4.385  -5.913
  613   1HB   LYS 103          2HB       LYS 103 -11.195   3.739  -5.030
  614   2HB   LYS 103          1HB       LYS 103 -11.680   2.050  -5.111
  615   1HG   LYS 103          2HG       LYS 103 -12.034   2.360  -7.569
  616   2HG   LYS 103          1HG       LYS 103 -11.309   3.960  -7.405
  617   1HD   LYS 103          2HD       LYS 103  -9.275   2.891  -6.475
  618   2HD   LYS 103          1HD       LYS 103 -10.005   1.314  -6.777
  619   1HE   LYS 103          2HE       LYS 103  -9.278   3.406  -8.822
  620   2HE   LYS 103          1HE       LYS 103  -8.498   1.844  -8.578
  621   1HZ   LYS 103          2HZ       LYS 103 -10.589   0.770  -9.209
  622   2HZ   LYS 103          1HZ       LYS 103 -11.287   2.282  -9.501
  623   3HZ   LYS 103          3HZ       LYS 103  -9.992   1.751 -10.450
  624    H    LEU 104           H        LEU 104 -15.559   3.780  -6.477
  625    HA   LEU 104           HA       LEU 104 -15.862   0.930  -7.170
  626   1HB   LEU 104          2HB       LEU 104 -17.871   2.976  -6.285
  627   2HB   LEU 104          1HB       LEU 104 -18.372   1.578  -7.212
  628    HG   LEU 104           HG       LEU 104 -18.750   1.150  -4.877
  629   1HD1  LEU 104          3HD1      LEU 104 -16.351  -0.381  -5.869
  630   2HD1  LEU 104          2HD1      LEU 104 -17.423  -0.883  -4.562
  631   3HD1  LEU 104          1HD1      LEU 104 -18.042  -0.751  -6.209
  632   1HD2  LEU 104          3HD2      LEU 104 -17.084   2.765  -4.014
  633   2HD2  LEU 104          2HD2      LEU 104 -17.017   1.195  -3.213
  634   3HD2  LEU 104          1HD2      LEU 104 -15.809   1.619  -4.424
  635    H    GLU 105           H        GLU 105 -17.247   4.062  -8.167
  636    HA   GLU 105           HA       GLU 105 -16.541   3.434 -10.936
  637   1HB   GLU 105          2HB       GLU 105 -18.948   2.769 -10.395
  638   2HB   GLU 105          1HB       GLU 105 -19.273   4.486 -10.211
  639   1HG   GLU 105          2HG       GLU 105 -19.913   3.669 -12.415
  640   2HG   GLU 105          1HG       GLU 105 -18.640   4.884 -12.515
  641    H    TRP 106           H        TRP 106 -15.418   5.225  -8.997
  642    HA   TRP 106           HA       TRP 106 -15.696   7.712 -10.506
  643   1HB   TRP 106          2HB       TRP 106 -15.480   8.910  -8.202
  644   2HB   TRP 106          1HB       TRP 106 -17.057   8.341  -8.735
  645    HD1  TRP 106           HD1      TRP 106 -14.263   7.468  -6.236
  646    HE1  TRP 106           HE1      TRP 106 -15.270   5.994  -4.382
  647    HE3  TRP 106           HE3      TRP 106 -18.929   6.771  -8.198
  648    HZ2  TRP 106           HZ2      TRP 106 -17.721   4.709  -3.825
  649    HZ3  TRP 106           HZ3      TRP 106 -20.548   5.409  -6.943
  650    HH2  TRP 106           HH2      TRP 106 -19.954   4.398  -4.801
  651    H    LYS 107           H        LYS 107 -13.670   6.561 -11.275
  652    HA   LYS 107           HA       LYS 107 -11.390   7.018  -9.487
  653   1HB   LYS 107          2HB       LYS 107 -11.792   4.800 -10.737
  654   2HB   LYS 107          1HB       LYS 107 -11.273   5.666 -12.175
  655   1HG   LYS 107          2HG       LYS 107  -9.576   5.581  -9.707
  656   2HG   LYS 107          1HG       LYS 107  -9.539   4.285 -10.903
  657   1HD   LYS 107          2HD       LYS 107  -8.991   5.970 -12.639
  658   2HD   LYS 107          1HD       LYS 107  -8.913   7.198 -11.375
  659   1HE   LYS 107          2HE       LYS 107  -7.183   4.737 -11.591
  660   2HE   LYS 107          1HE       LYS 107  -6.686   6.398 -11.918
  661   1HZ   LYS 107          2HZ       LYS 107  -7.128   6.935  -9.595
  662   2HZ   LYS 107          1HZ       LYS 107  -7.571   5.331  -9.290
  663   3HZ   LYS 107          3HZ       LYS 107  -5.978   5.702  -9.727
  664    H    ASP 108           H        ASP 108 -10.905   9.150  -9.623
  665    HA   ASP 108           HA       ASP 108 -10.383  10.243 -12.310
  666   1HB   ASP 108          2HB       ASP 108 -12.217  11.407 -11.164
  667   2HB   ASP 108          1HB       ASP 108 -11.161  11.733  -9.793

  No H/Q in entry =         667