*HEADER    TRANSFERASE, PLANT PROTEIN              23-JAN-04   1S6J
*TITLE     N-TERMINAL REGION OF THE CA2+-SATURATED CALCIUM REGULATORY
*TITLE    2 DOMAIN (CLD) FROM SOYBEAN CALCIUM-DEPENDENT PROTEIN KINASE-
*TITLE    3 ALPHA (CDPK)
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CALCIUM-DEPENDENT PROTEIN KINASE SK5;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: N-TERMINAL REGION OF CALMODULIN-LIKE DOMAIN
*COMPND   5 (CLD);
*COMPND   6 SYNONYM: CDPK; CALCIUM-DEPENDENT PROTEIN KINASE-ALPHA;
*COMPND   7 EC: 2.7.1.-;
*COMPND   8 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: GLYCINE MAX;
*SOURCE   3 ORGANISM_COMMON: SOYBEAN;
*SOURCE   4 GENE: CDPK  SK5;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-19B;
*SOURCE  10 OTHER_DETAILS: 13 RESIDUES FROM AN N-TERMINAL HIS-TAG, AND
*SOURCE  11 THE N-TERMINAL DOMAIN OF THE CA2+-REGULATORY REGION
*KEYWDS    EF-HAND; HELIX-LOOP-HELIX; CALCIUM-BINDING; CALMODULIN
*KEYWDS   2 SUPERFAMILY
*EXPDTA    NMR, 15 STRUCTURES
*AUTHOR    A.M.WELJIE, H.J.VOGEL
*REVDAT   1   21-DEC-04 1S6J    0
                                                                                                  



 ASSI {    6}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
      3.700     1.700     1.700 peak     6 spectrum    1 weight  0.11000E+01 volume  0.73984E-03 ppm1      9.709 ppm2      1.699 CV     1
 OR {    6}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HG12))
 ASSI {   11}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      4.200     2.200     1.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.77440E-03 ppm1      9.712 ppm2      1.079 CV     1
 OR {   11}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HG11))
 ASSI {   16}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 80   and name HG1 ))
      4.700     2.700     1.300 peak    16 spectrum    1 weight  0.11000E+01 volume  0.36008E-03 ppm1      8.070 ppm2      2.378 CV     1
 OR {   16}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HB1 ))
 ASSI {   32}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      3.400     1.500     1.500 peak    32 spectrum    1 weight  0.11000E+01 volume  0.15830E-02 ppm1      8.615 ppm2      0.805 CV     1
 OR {   32}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
 ASSI {   35}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak    35 spectrum    1 weight  0.11000E+01 volume  0.33833E-02 ppm1      8.377 ppm2      4.166 CV     1
 OR {   35}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
 ASSI {   38}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.11000E+01 volume  0.29417E-02 ppm1      9.097 ppm2      2.403 CV     1
 OR {   38}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI {   39}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 61   and name HB  ))
      4.000     2.000     2.000 peak    39 spectrum    1 weight  0.11000E+01 volume  0.73926E-03 ppm1      9.100 ppm2      2.042 CV     1
 OR {   39}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
 ASSI {   44}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HB  ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.11000E+01 volume  0.17261E-02 ppm1      8.203 ppm2      2.045 CV     1
 OR {   44}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
 ASSI {   84}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HB1 ))
      2.900     1.100     1.100 peak    84 spectrum    1 weight  0.11000E+01 volume  0.30861E-02 ppm1      7.998 ppm2      1.690 CV     1
 OR {   84}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
 ASSI {   93}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak    93 spectrum    1 weight  0.11000E+01 volume  0.65827E-03 ppm1      7.056 ppm2      3.896 CV     1
 OR {   93}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI {  100}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.600     0.800     0.800 peak   100 spectrum    1 weight  0.11000E+01 volume  0.48448E-02 ppm1      7.055 ppm2      2.326 CV     1
 OR {  100}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI {  103}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   103 spectrum    1 weight  0.11000E+01 volume  0.84680E-03 ppm1      8.735 ppm2      4.184 CV     1
 OR {  103}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HB2 ))
 ASSI {  111}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HB  ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.11000E+01 volume  0.51776E-02 ppm1      8.438 ppm2      2.038 CV     1
 OR {  111}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI {  119}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   119 spectrum    1 weight  0.11000E+01 volume  0.23752E-02 ppm1      9.313 ppm2      2.079 CV     1
 OR {  119}
   (( segid "A   " and resid 57   and name HN  ))
   (  segid "A   " and resid 57   and name HE% )
 ASSI {  130}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      1.900     0.400     0.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.28284E-01 ppm1      8.263 ppm2      2.699 CV     1
 OR {  130}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  137}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      6.000     5.400     0.000 peak   137 spectrum    1 weight  0.11000E+01 volume  0.28623E-04 ppm1      8.221 ppm2      4.163 CV     1
 OR {  137}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
 ASSI {  163}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HB2 ))
      2.600     0.900     0.900 peak   163 spectrum    1 weight  0.11000E+01 volume  0.38623E-02 ppm1      8.022 ppm2      2.058 CV     1
 OR {  163}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
 ASSI {  164}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.57213E-02 ppm1      8.009 ppm2      2.051 CV     1
 OR {  164}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HB2 ))
 OR {  164}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
 ASSI {  165}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HG2 ))
      3.700     1.700     1.700 peak   165 spectrum    1 weight  0.11000E+01 volume  0.83152E-03 ppm1      7.999 ppm2      2.318 CV     1
 OR {  165}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
 OR {  165}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HG2 ))
 ASSI {  168}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.11000E+01 volume  0.37459E-02 ppm1      7.921 ppm2      4.065 CV     1
 OR {  168}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
 ASSI {  169}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.11000E+01 volume  0.96885E-02 ppm1      7.923 ppm2      2.026 CV     1
 OR {  169}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
 ASSI {  189}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.11000E+01 volume  0.28770E-02 ppm1      7.834 ppm2      1.450 CV     1
 OR {  189}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
 ASSI {  199}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
      3.600     1.600     1.600 peak   199 spectrum    1 weight  0.11000E+01 volume  0.11515E-02 ppm1      8.517 ppm2      2.318 CV     1
 OR {  199}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HG2 ))
 ASSI {  200}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.11000E+01 volume  0.62179E-02 ppm1      8.519 ppm2      2.042 CV     1
 OR {  200}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI {  209}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.800     0.900     0.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.42020E-02 ppm1      7.583 ppm2      1.872 CV     1
 OR {  209}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 51   and name HB1 ))
 ASSI {  210}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB1 ))
      3.400     1.500     1.500 peak   210 spectrum    1 weight  0.11000E+01 volume  0.13352E-02 ppm1      7.582 ppm2      1.448 CV     1
 OR {  210}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
 ASSI {  221}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.11000E+01 volume  0.16882E-02 ppm1      8.759 ppm2      2.560 CV     1
 OR {  221}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HB1 ))
 ASSI {  222}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      5.300     3.500     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.57345E-04 ppm1      8.478 ppm2      4.150 CV     1
 OR {  222}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
 OR {  222}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI {  264}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.11000E+01 volume  0.56371E-02 ppm1      8.142 ppm2      4.188 CV     1
 OR {  264}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
 ASSI {  270}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak   270 spectrum    1 weight  0.11000E+01 volume  0.18677E-02 ppm1      7.960 ppm2      2.069 CV     1
 OR {  270}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {  272}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   272 spectrum    1 weight  0.11000E+01 volume  0.13497E-02 ppm1      7.953 ppm2      4.084 CV     1
 OR {  272}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
 ASSI {  275}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HG1 ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.11000E+01 volume  0.29958E-02 ppm1      7.629 ppm2      2.488 CV     1
 OR {  275}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HB2 ))
 ASSI {  277}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak   277 spectrum    1 weight  0.11000E+01 volume  0.70058E-02 ppm1      7.620 ppm2      4.058 CV     1
 OR {  277}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI {  289}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      4.700     2.700     1.300 peak   289 spectrum    1 weight  0.11000E+01 volume  0.11058E-03 ppm1      8.394 ppm2      4.090 CV     1
 OR {  289}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
 ASSI {  292}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HG  ))
      2.700     0.900     0.900 peak   292 spectrum    1 weight  0.11000E+01 volume  0.33792E-02 ppm1      8.390 ppm2      1.516 CV     1
 OR {  292}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HD2 ))
 ASSI {  294}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 61   and name HG2%)
      3.200     1.300     1.300 peak   294 spectrum    1 weight  0.11000E+01 volume  0.18879E-02 ppm1      8.391 ppm2      0.802 CV     1
 OR {  294}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
 ASSI {  296}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HB1 ))
      2.200     0.600     0.600 peak   296 spectrum    1 weight  0.11000E+01 volume  0.32228E-02 ppm1      8.387 ppm2      1.400 CV     1
 OR {  296}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI {  300}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   300 spectrum    1 weight  0.11000E+01 volume  0.57232E-03 ppm1      7.474 ppm2      3.911 CV     1
 OR {  300}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI {  303}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.11000E+01 volume  0.19001E-02 ppm1      7.477 ppm2      1.438 CV     1
 OR {  303}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
 ASSI {  324}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
      5.400     3.600     0.600 peak   324 spectrum    1 weight  0.11000E+01 volume  0.18488E-03 ppm1      7.759 ppm2      1.449 CV     1
 OR {  324}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
 ASSI {  325}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      4.700     2.700     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.34514E-03 ppm1      7.760 ppm2      0.946 CV     1
 OR {  325}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
 ASSI {  327}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   327 spectrum    1 weight  0.11000E+01 volume  0.41535E-02 ppm1      7.758 ppm2      3.915 CV     1
 OR {  327}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI {  330}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      3.000     1.200     1.200 peak   330 spectrum    1 weight  0.11000E+01 volume  0.30539E-02 ppm1      7.733 ppm2      4.325 CV     1
 OR {  330}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
 ASSI {  353}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 67   and name HB% )
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.11000E+01 volume  0.30136E-03 ppm1      8.070 ppm2      1.404 CV     1
 OR {  353}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 70   and name HG12))
 ASSI {  354}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      5.600     4.000     0.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.17485E-03 ppm1      8.069 ppm2      0.961 CV     1
 OR {  354}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 70   and name HG2%)
 ASSI {  358}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HA2 ))
      2.400     0.700     0.700 peak   358 spectrum    1 weight  0.11000E+01 volume  0.35881E-02 ppm1     10.747 ppm2      4.309 CV     1
 OR {  358}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
 ASSI {  365}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HB1 ))
      2.400     0.700     0.700 peak   365 spectrum    1 weight  0.11000E+01 volume  0.64067E-02 ppm1      8.405 ppm2      2.624 CV     1
 OR {  365}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HB1 ))
 ASSI {  367}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 44   and name HB1 ))
      5.300     3.500     0.700 peak   367 spectrum    1 weight  0.11000E+01 volume  0.24988E-03 ppm1      8.407 ppm2      2.384 CV     1
 OR {  367}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 69   and name HB1 ))
 ASSI {  372}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   372 spectrum    1 weight  0.11000E+01 volume  0.49414E-03 ppm1      7.943 ppm2      4.129 CV     1
 OR {  372}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI {  373}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.11000E+01 volume  0.43867E-03 ppm1      7.946 ppm2      4.088 CV     1
 OR {  373}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
 ASSI {  374}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.11000E+01 volume  0.46356E-02 ppm1      7.942 ppm2      3.911 CV     1
 OR {  374}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
 OR {  374}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
 ASSI {  376}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   376 spectrum    1 weight  0.11000E+01 volume  0.18662E-02 ppm1      7.942 ppm2      3.109 CV     1
 OR {  376}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
 ASSI {  379}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HG12))
      3.400     1.500     1.500 peak   379 spectrum    1 weight  0.11000E+01 volume  0.18315E-02 ppm1      7.938 ppm2      1.416 CV     1
 OR {  379}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 72   and name HG2 ))
 OR {  379}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
 ASSI {  384}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HG11))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.11000E+01 volume  0.15471E-02 ppm1      7.939 ppm2      1.676 CV     1
 OR {  384}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HD1 ))
 ASSI {  387}
   (( segid "A   " and resid 71   and name HN  ))
   (  segid "A   " and resid 70   and name HD1%)
      3.300     3.300     2.700 peak   387 spectrum    1 weight  0.11000E+01 volume  0.41459E-03 ppm1      7.940 ppm2      0.942 CV     1
 OR {  387}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
 ASSI {  402}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak   402 spectrum    1 weight  0.11000E+01 volume  0.24687E-02 ppm1      8.160 ppm2      3.068 CV     1
 OR {  402}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI {  420}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.11000E+01 volume  0.95851E-02 ppm1      8.611 ppm2      4.307 CV     1
 OR {  420}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
 ASSI {  423}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak   423 spectrum    1 weight  0.11000E+01 volume  0.40278E-03 ppm1      8.610 ppm2      3.066 CV     1
 OR {  423}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HB2 ))
 ASSI {  432}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
      3.000     3.000     3.000 peak   432 spectrum    1 weight  0.11000E+01 volume  0.34700E-03 ppm1      7.983 ppm2      1.450 CV     1
 OR {  432}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 49   and name HB1 ))
 ASSI {  434}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HA1 ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.11000E+01 volume  0.34419E-02 ppm1      7.977 ppm2      3.779 CV     1
 OR {  434}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HB1 ))
 ASSI {  437}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 52   and name HG1%)
      3.600     1.600     1.600 peak   437 spectrum    1 weight  0.11000E+01 volume  0.10046E-02 ppm1      7.976 ppm2      0.775 CV     1
 OR {  437}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
 ASSI {  441}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HB1 ))
      2.300     0.700     0.700 peak   441 spectrum    1 weight  0.11000E+01 volume  0.67074E-02 ppm1      8.769 ppm2      3.916 CV     1
 OR {  441}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI {  443}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak   443 spectrum    1 weight  0.11000E+01 volume  0.27913E-02 ppm1      8.770 ppm2      2.385 CV     1
 OR {  443}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
 ASSI {  445}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   445 spectrum    1 weight  0.11000E+01 volume  0.11193E-02 ppm1      8.767 ppm2      2.050 CV     1
 OR {  445}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 61   and name HB  ))
 ASSI {  504}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB1 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.11000E+01 volume  0.44995E-03 ppm1      9.155 ppm2      2.540 CV     1
 OR {  504}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
 ASSI {  513}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 78   and name HB1 ))
      3.700     1.700     1.700 peak   513 spectrum    1 weight  0.11000E+01 volume  0.53535E-03 ppm1      8.382 ppm2      2.306 CV     1
 OR {  513}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 80   and name HB1 ))
 ASSI {  523}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 77   and name HB1 ))
      2.900     1.000     1.000 peak   523 spectrum    1 weight  0.11000E+01 volume  0.20568E-02 ppm1      8.372 ppm2      2.571 CV     1
 OR {  523}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 78   and name HB2 ))
 ASSI {  524}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak   524 spectrum    1 weight  0.11000E+01 volume  0.35517E-03 ppm1      9.084 ppm2      7.956 CV     1
 OR {  524}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
 ASSI {  526}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak   526 spectrum    1 weight  0.11000E+01 volume  0.45329E-02 ppm1      8.518 ppm2      8.252 CV     1
 OR {  526}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
 ASSI {  528}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   528 spectrum    1 weight  0.11000E+01 volume  0.28924E-03 ppm1      8.612 ppm2      8.385 CV     1
 OR {  528}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
 ASSI {  545}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 82   and name HN  ))
      3.300     1.400     1.400 peak   545 spectrum    1 weight  0.11000E+01 volume  0.61442E-03 ppm1      8.919 ppm2      8.369 CV     1
 OR {  545}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 79   and name HN  ))
 ASSI {  557}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HN  ))
      2.600     0.900     0.900 peak   557 spectrum    1 weight  0.11000E+01 volume  0.16719E-02 ppm1      8.437 ppm2      7.823 CV     1
 OR {  557}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 64   and name HN  ))
 ASSI {  601}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   601 spectrum    1 weight  0.11000E+01 volume  0.48074E-02 ppm1      8.329 ppm2      8.239 CV     1
 OR {  601}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 10   and name HN  ))
 ASSI {  650}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak   650 spectrum    1 weight  0.11000E+01 volume  0.20414E-02 ppm1      8.611 ppm2      7.734 CV     1
 OR {  650}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HN  ))
 ASSI {  753}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HE2 ))
      6.000     5.200     0.000 peak   753 spectrum    1 weight  0.11000E+01 volume  0.78979E-04 ppm1      8.438 ppm2      2.808 CV     1
 OR {  753}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI {  766}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 48   and name HA2 ))
      3.800     1.800     1.800 peak   766 spectrum    1 weight  0.11000E+01 volume  0.45039E-03 ppm1      7.925 ppm2      3.857 CV     1
 OR {  766}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 53   and name HA1 ))
 ASSI {  767}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak   767 spectrum    1 weight  0.11000E+01 volume  0.34141E-03 ppm1      7.921 ppm2      4.358 CV     1
 OR {  767}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
 ASSI {  791}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      5.300     3.500     0.700 peak   791 spectrum    1 weight  0.11000E+01 volume  0.90190E-04 ppm1      8.132 ppm2      4.321 CV     1
 OR {  791}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
 ASSI {  798}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      5.800     4.200     0.200 peak   798 spectrum    1 weight  0.11000E+01 volume  0.90075E-04 ppm1      8.086 ppm2      0.787 CV     1
 OR {  798}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
 ASSI {  806}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 80   and name HG1 ))
      4.100     2.100     1.900 peak   806 spectrum    1 weight  0.11000E+01 volume  0.43045E-03 ppm1      7.939 ppm2      2.384 CV     1
 OR {  806}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 69   and name HB1 ))
 ASSI {  830}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 61   and name HG12))
      4.800     2.900     1.200 peak   830 spectrum    1 weight  0.11000E+01 volume  0.26088E-03 ppm1      8.766 ppm2      1.855 CV     1
 OR {  830}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
 ASSI {  842}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
      6.000     4.400     0.000 peak   842 spectrum    1 weight  0.11000E+01 volume  0.75739E-04 ppm1      8.778 ppm2      1.429 CV     1
 OR {  842}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HB1 ))
 ASSI {  844}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      5.400     3.700     0.600 peak   844 spectrum    1 weight  0.11000E+01 volume  0.33550E-04 ppm1      7.357 ppm2      7.932 CV     1
 OR {  844}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
 ASSI {  857}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 19   and name HG2 ))
      2.900     2.900     3.100 peak   857 spectrum    1 weight  0.11000E+01 volume  0.42796E-03 ppm1      8.244 ppm2      2.359 CV     1
 OR {  857}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
 ASSI {  876}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      4.800     2.800     1.200 peak   876 spectrum    1 weight  0.11000E+01 volume  0.36134E-03 ppm1      8.443 ppm2      1.901 CV     1
 OR {  876}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 32   and name HG12))
 ASSI {  877}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   877 spectrum    1 weight  0.11000E+01 volume  0.17487E-03 ppm1      8.441 ppm2      2.059 CV     1
 OR {  877}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {  878}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      5.200     3.400     0.800 peak   878 spectrum    1 weight  0.11000E+01 volume  0.27189E-03 ppm1      8.433 ppm2      3.919 CV     1
 OR {  878}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI {  913}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   913 spectrum    1 weight  0.11000E+01 volume  0.52584E-03 ppm1      8.617 ppm2      4.082 CV     1
 OR {  913}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI {  922}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak   922 spectrum    1 weight  0.11000E+01 volume  0.90417E-03 ppm1      8.614 ppm2      2.549 CV     1
 OR {  922}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 77   and name HB1 ))
 ASSI {  925}
   (( segid "A   " and resid 80   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.200     3.200     2.800 peak   925 spectrum    1 weight  0.11000E+01 volume  0.20670E-03 ppm1      8.600 ppm2      1.300 CV     1
 OR {  925}
   (( segid "A   " and resid 80   and name HN  ))
   (  segid "A   " and resid 68   and name HB% )
 ASSI {  940}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
      4.700     2.700     1.300 peak   940 spectrum    1 weight  0.11000E+01 volume  0.31969E-03 ppm1      7.054 ppm2      1.331 CV     1
 OR {  940}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
 ASSI {  941}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 63   and name HN  ))
      5.400     3.700     0.600 peak   941 spectrum    1 weight  0.11000E+01 volume  0.94741E-04 ppm1      7.063 ppm2      7.849 CV     1
 OR {  941}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 64   and name HN  ))
 ASSI {  943}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 60   and name HB1 ))
      5.100     3.200     0.900 peak   943 spectrum    1 weight  0.11000E+01 volume  0.15991E-03 ppm1      8.449 ppm2      2.529 CV     1
 OR {  943}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
 ASSI {  992}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 64   and name HD2%)
      4.000     2.000     2.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.84397E-04 ppm1      8.224 ppm2      0.815 CV     1
 OR {  992}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
 OR {  992}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
 ASSI { 1000}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      6.000     5.600     0.000 peak  1000 spectrum    1 weight  0.11000E+01 volume  0.63972E-04 ppm1      8.099 ppm2      8.622 CV     1
 OR { 1000}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 1008}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak  1008 spectrum    1 weight  0.11000E+01 volume  0.11595E-02 ppm1      8.067 ppm2      7.899 CV     1
 OR { 1008}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 71   and name HN  ))
 ASSI { 1012}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 65   and name HE% )
      3.400     3.400     2.600 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.39868E-03 ppm1     10.748 ppm2      2.031 CV     1
 OR { 1012}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
 ASSI { 1016}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 45   and name HG  ))
      6.000     5.900     0.000 peak  1016 spectrum    1 weight  0.11000E+01 volume  0.60175E-04 ppm1      8.401 ppm2      1.520 CV     1
 OR { 1016}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 46   and name HD2 ))
 ASSI { 1041}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB  ))
      5.100     3.300     0.900 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.75412E-04 ppm1      7.355 ppm2      2.035 CV     1
 OR { 1041}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 1060}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 63   and name HN  ))
      5.100     3.200     0.900 peak  1060 spectrum    1 weight  0.11000E+01 volume  0.96656E-04 ppm1      8.207 ppm2      7.842 CV     1
 OR { 1060}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 64   and name HN  ))
 ASSI { 1067}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      5.300     3.500     0.700 peak  1067 spectrum    1 weight  0.11000E+01 volume  0.10296E-03 ppm1      9.712 ppm2      4.867 CV     1
 OR { 1067}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
 ASSI { 1072}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.31469E-03 ppm1      8.609 ppm2      8.752 CV     1
 OR { 1072}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
 ASSI { 1088}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      5.000     3.100     1.000 peak  1088 spectrum    1 weight  0.11000E+01 volume  0.62647E-04 ppm1      8.198 ppm2      4.123 CV     1
 OR { 1088}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
 ASSI { 1094}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak  1094 spectrum    1 weight  0.11000E+01 volume  0.24768E-03 ppm1      7.824 ppm2      3.931 CV     1
 OR { 1094}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1105}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      6.000     6.000     0.000 peak  1105 spectrum    1 weight  0.11000E+01 volume  0.24025E-04 ppm1      8.722 ppm2      4.448 CV     1
 OR { 1105}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
 ASSI { 1183}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      5.600     3.900     0.400 peak  1183 spectrum    1 weight  0.11000E+01 volume  0.92515E-04 ppm1      7.839 ppm2      4.332 CV     1
 OR { 1183}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI { 1216}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 64   and name HD2%)
      3.600     3.600     2.400 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.10179E-03 ppm1      8.371 ppm2      0.814 CV     1
 OR { 1216}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 61   and name HG2%)
 ASSI { 1221}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HA2 ))
      3.100     1.200     1.200 peak  1221 spectrum    1 weight  0.11000E+01 volume  0.32447E-02 ppm1      7.582 ppm2      4.308 CV     1
 OR { 1221}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
 OR { 1221}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
 ASSI { 1239}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      5.000     3.100     1.000 peak  1239 spectrum    1 weight  0.11000E+01 volume  0.17238E-03 ppm1      9.731 ppm2      1.079 CV     1
 OR { 1239}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 76   and name HG11))
 ASSI { 1254}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      5.500     3.800     0.500 peak  1254 spectrum    1 weight  0.11000E+01 volume  0.10286E-03 ppm1      7.943 ppm2      2.568 CV     1
 OR { 1254}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
assign (segid A and resid 33 and name OD#) (segid I and resid 1 ) 2.40 0.40 0.40 !
assign (segid A and resid 35 and name OD#) (segid I and resid 1) 2.40 0.40 0.40 !
assign (segid A and resid 37 and name OG) (segid I and resid 1) 2.40 0.40 0.40 !
assign (segid A and resid 39 and name O) (segid I and resid 1) 2.40 0.40 0.40 !
assign (segid A and resid 44 and name OE#) (segid I and resid 1) 2.40 0.40 0.40 !

assign (segid A and resid 69 and name OD#) (segid I and resid 2) 2.40 0.40 0.40 !
assign (segid A and resid 71 and name OD#) (segid I and resid 2) 2.40 0.40 0.40 !
assign (segid A and resid 73 and name OG) (segid I and resid 2) 2.40 0.40 0.40 !
assign (segid A and resid 75 and name O) (segid I and resid 2) 2.40 0.40 0.40 !
assign (segid A and resid 80 and name OE#) (segid I and resid 2) 2.40 0.40 0.40 !




 ASSI {    1}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.11000E+01 volume  0.18834E-02 ppm1      9.081 ppm2      2.293 CV     1
 OR {    1}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HG2 ))
 ASSI {    1}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak     1 spectrum    1 weight  0.11000E+01 volume  0.33989E-03 ppm1      9.079 ppm2      1.879 CV     1
 ASSI {    2}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak     2 spectrum    1 weight  0.11000E+01 volume  0.41027E-03 ppm1      9.081 ppm2      4.384 CV     1
 ASSI {    3}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak     3 spectrum    1 weight  0.11000E+01 volume  0.20888E-02 ppm1      9.083 ppm2      4.193 CV     1
 ASSI {    4}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HB  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.11000E+01 volume  0.73826E-03 ppm1      9.715 ppm2      3.779 CV     1
 ASSI {    5}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      2.900     1.100     1.100 peak     5 spectrum    1 weight  0.11000E+01 volume  0.15229E-02 ppm1      9.713 ppm2      2.035 CV     1
 ASSI {    7}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.700     1.700     1.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.22967E-03 ppm1      9.718 ppm2      1.282 CV     1
 ASSI {    8}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      2.500     2.500     3.500 peak     8 spectrum    1 weight  0.11000E+01 volume  0.10438E-02 ppm1      9.715 ppm2      0.952 CV     1
 ASSI {    9}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.11000E+01 volume  0.22076E-02 ppm1      9.713 ppm2      4.867 CV     1
 ASSI {   10}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      3.300     3.300     2.700 peak    10 spectrum    1 weight  0.11000E+01 volume  0.19963E-03 ppm1      9.715 ppm2      4.648 CV     1
 ASSI {   12}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      5.800     4.200     0.200 peak    12 spectrum    1 weight  0.11000E+01 volume  0.14361E-03 ppm1      8.075 ppm2      2.984 CV     1
 ASSI {   13}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HG12))
      3.500     1.500     1.500 peak    13 spectrum    1 weight  0.11000E+01 volume  0.15455E-02 ppm1      8.074 ppm2      1.410 CV     1
 ASSI {   14}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak    14 spectrum    1 weight  0.11000E+01 volume  0.16114E-02 ppm1      8.072 ppm2      4.766 CV     1
 ASSI {   15}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
      3.000     1.200     1.200 peak    15 spectrum    1 weight  0.11000E+01 volume  0.11334E-02 ppm1      8.071 ppm2      3.903 CV     1
 ASSI {   17}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HB  ))
      2.600     0.900     0.900 peak    17 spectrum    1 weight  0.11000E+01 volume  0.16167E-02 ppm1      8.071 ppm2      2.027 CV     1
 ASSI {   18}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HG11))
      3.800     1.800     1.800 peak    18 spectrum    1 weight  0.11000E+01 volume  0.99370E-03 ppm1      8.070 ppm2      1.646 CV     1
 ASSI {   19}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.11000E+01 volume  0.10387E-02 ppm1      8.071 ppm2      1.023 CV     1
 ASSI {   20}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 70   and name HD1%)
      6.000     6.000     0.000 peak    20 spectrum    1 weight  0.11000E+01 volume  0.28755E-04 ppm1      8.072 ppm2      0.934 CV     1
 ASSI {   21}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.11000E+01 volume  0.26976E-02 ppm1      8.516 ppm2      4.648 CV     1
 ASSI {   22}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      2.100     0.500     0.500 peak    22 spectrum    1 weight  0.11000E+01 volume  0.97818E-02 ppm1      8.516 ppm2      4.132 CV     1
 ASSI {   23}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.69812E-02 ppm1      8.512 ppm2      2.680 CV     1
 ASSI {   24}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB  ))
      3.500     1.500     1.500 peak    24 spectrum    1 weight  0.11000E+01 volume  0.15293E-02 ppm1      8.515 ppm2      1.792 CV     1
 ASSI {   25}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HG12))
      5.100     3.300     0.900 peak    25 spectrum    1 weight  0.11000E+01 volume  0.24362E-03 ppm1      8.516 ppm2      1.090 CV     1
 ASSI {   26}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
      3.000     3.000     3.000 peak    26 spectrum    1 weight  0.11000E+01 volume  0.30805E-03 ppm1      8.509 ppm2      3.211 CV     1
 ASSI {   27}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak    27 spectrum    1 weight  0.11000E+01 volume  0.38321E-02 ppm1      9.096 ppm2      4.585 CV     1
 ASSI {   28}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.11000E+01 volume  0.15734E-02 ppm1      9.096 ppm2      3.868 CV     1
 ASSI {   29}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak    29 spectrum    1 weight  0.11000E+01 volume  0.40710E-02 ppm1      9.096 ppm2      2.235 CV     1
 ASSI {   30}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.300     1.300     1.300 peak    30 spectrum    1 weight  0.11000E+01 volume  0.33340E-03 ppm1      8.618 ppm2      1.982 CV     1
 ASSI {   31}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.18577E-02 ppm1      8.614 ppm2      0.913 CV     1
 ASSI {   33}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HB1 ))
      6.000     5.600     0.000 peak    33 spectrum    1 weight  0.11000E+01 volume  0.32535E-04 ppm1      8.607 ppm2      2.353 CV     1
 OR {   33}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
 ASSI {   34}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.800     0.900     0.900 peak    34 spectrum    1 weight  0.11000E+01 volume  0.33882E-02 ppm1      8.375 ppm2      4.309 CV     1
 ASSI {   36}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.11000E+01 volume  0.75624E-02 ppm1      8.375 ppm2      1.402 CV     1
 ASSI {   37}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      5.600     3.900     0.400 peak    37 spectrum    1 weight  0.11000E+01 volume  0.13551E-03 ppm1      9.096 ppm2      2.834 CV     1
 ASSI {   40}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 61   and name HG11))
      4.900     3.000     1.100 peak    40 spectrum    1 weight  0.11000E+01 volume  0.24308E-03 ppm1      9.091 ppm2      0.766 CV     1
 OR {   40}
   (( segid "A   " and resid 58   and name HN  ))
   (  segid "A   " and resid 61   and name HG2%)
 ASSI {   41}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak    41 spectrum    1 weight  0.11000E+01 volume  0.40239E-03 ppm1      8.615 ppm2      3.847 CV     1
 ASSI {   42}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak    42 spectrum    1 weight  0.11000E+01 volume  0.82679E-03 ppm1      8.617 ppm2      1.404 CV     1
 ASSI {   43}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.11000E+01 volume  0.16411E-03 ppm1      8.201 ppm2      3.575 CV     1
 ASSI {   45}
   (( segid "A   " and resid 61   and name HN  ))
   (  segid "A   " and resid 61   and name HD1%)
      5.600     3.900     0.400 peak    45 spectrum    1 weight  0.11000E+01 volume  0.11500E-03 ppm1      8.203 ppm2      0.652 CV     1
 ASSI {   46}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HG2 ))
      3.800     3.800     2.200 peak    46 spectrum    1 weight  0.11000E+01 volume  0.53060E-03 ppm1      8.609 ppm2      2.980 CV     1
 ASSI {   47}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak    47 spectrum    1 weight  0.11000E+01 volume  0.16200E-03 ppm1      8.600 ppm2      4.163 CV     1
 ASSI {   48}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak    48 spectrum    1 weight  0.11000E+01 volume  0.22266E-02 ppm1      8.213 ppm2      4.128 CV     1
 ASSI {   49}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.11000E+01 volume  0.14876E-02 ppm1      8.214 ppm2      3.208 CV     1
 ASSI {   50}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HB1 ))
      3.700     1.700     1.700 peak    50 spectrum    1 weight  0.11000E+01 volume  0.10492E-02 ppm1      8.213 ppm2      3.112 CV     1
 ASSI {   51}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      5.100     3.200     0.900 peak    51 spectrum    1 weight  0.11000E+01 volume  0.11101E-03 ppm1      8.214 ppm2      2.702 CV     1
 ASSI {   52}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.11000E+01 volume  0.53223E-02 ppm1      8.213 ppm2      1.791 CV     1
 ASSI {   53}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HG12))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.11000E+01 volume  0.23496E-02 ppm1      8.213 ppm2      1.086 CV     1
 ASSI {   54}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 6    and name HD1%)
      3.100     3.100     2.900 peak    54 spectrum    1 weight  0.11000E+01 volume  0.47467E-02 ppm1      8.212 ppm2      0.828 CV     1
 ASSI {   56}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      4.600     2.700     1.400 peak    56 spectrum    1 weight  0.11000E+01 volume  0.11384E-03 ppm1      7.817 ppm2      3.581 CV     1
 ASSI {   57}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      5.300     3.500     0.700 peak    57 spectrum    1 weight  0.11000E+01 volume  0.61061E-04 ppm1      7.811 ppm2      4.379 CV     1
 ASSI {   58}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      2.900     1.100     1.100 peak    58 spectrum    1 weight  0.11000E+01 volume  0.14855E-02 ppm1      7.813 ppm2      4.099 CV     1
 ASSI {   59}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak    59 spectrum    1 weight  0.11000E+01 volume  0.85612E-03 ppm1      7.813 ppm2      2.823 CV     1
 ASSI {   60}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HB1 ))
      3.500     1.500     1.500 peak    60 spectrum    1 weight  0.11000E+01 volume  0.64870E-03 ppm1      7.813 ppm2      2.692 CV     1
 ASSI {   61}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      3.800     1.800     1.800 peak    61 spectrum    1 weight  0.11000E+01 volume  0.19133E-02 ppm1      7.812 ppm2      1.944 CV     1
 ASSI {   62}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HB2 ))
      2.400     0.700     0.700 peak    62 spectrum    1 weight  0.11000E+01 volume  0.27215E-02 ppm1      7.812 ppm2      1.689 CV     1
 ASSI {   63}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 62   and name HD2 ))
      3.000     3.000     3.000 peak    63 spectrum    1 weight  0.11000E+01 volume  0.35046E-03 ppm1      7.813 ppm2      1.588 CV     1
 ASSI {   64}
   (( segid "A   " and resid 64   and name HN  ))
   (  segid "A   " and resid 64   and name HD2%)
      3.900     1.900     1.900 peak    64 spectrum    1 weight  0.11000E+01 volume  0.17299E-02 ppm1      7.812 ppm2      0.810 CV     1
 ASSI {   65}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak    65 spectrum    1 weight  0.11000E+01 volume  0.24301E-03 ppm1      8.923 ppm2      4.165 CV     1
 ASSI {   66}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.11000E+01 volume  0.91610E-03 ppm1      8.922 ppm2      3.932 CV     1
 ASSI {   67}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 78   and name HA  ))
      4.600     2.600     1.400 peak    67 spectrum    1 weight  0.11000E+01 volume  0.12752E-03 ppm1      8.922 ppm2      3.594 CV     1
 ASSI {   68}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 81   and name HB1 ))
      2.900     1.100     1.100 peak    68 spectrum    1 weight  0.11000E+01 volume  0.97564E-03 ppm1      8.920 ppm2      3.385 CV     1
 ASSI {   69}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 81   and name HB2 ))
      2.800     1.000     1.000 peak    69 spectrum    1 weight  0.11000E+01 volume  0.11405E-02 ppm1      8.923 ppm2      3.295 CV     1
 ASSI {   70}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak    70 spectrum    1 weight  0.11000E+01 volume  0.18112E-03 ppm1      8.921 ppm2      2.550 CV     1
 ASSI {   71}
   (( segid "A   " and resid 81   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.400     2.400     3.600 peak    71 spectrum    1 weight  0.11000E+01 volume  0.11253E-02 ppm1      8.920 ppm2      1.285 CV     1
 ASSI {   72}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak    72 spectrum    1 weight  0.11000E+01 volume  0.32059E-02 ppm1      9.473 ppm2      4.867 CV     1
 ASSI {   73}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      2.600     0.800     0.800 peak    73 spectrum    1 weight  0.11000E+01 volume  0.28560E-02 ppm1      9.474 ppm2      4.648 CV     1
 ASSI {   74}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB1 ))
      2.500     0.800     0.800 peak    74 spectrum    1 weight  0.11000E+01 volume  0.23711E-02 ppm1      9.468 ppm2      3.384 CV     1
 ASSI {   75}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak    75 spectrum    1 weight  0.11000E+01 volume  0.15493E-02 ppm1      9.472 ppm2      4.452 CV     1
 ASSI {   76}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.11000E+01 volume  0.25019E-02 ppm1      9.468 ppm2      3.053 CV     1
 ASSI {   77}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 65   and name HE% )
      2.900     1.100     1.100 peak    77 spectrum    1 weight  0.11000E+01 volume  0.16474E-02 ppm1      9.470 ppm2      2.035 CV     1
 ASSI {   78}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      3.600     1.600     1.600 peak    78 spectrum    1 weight  0.11000E+01 volume  0.15928E-02 ppm1      9.470 ppm2      1.270 CV     1
 ASSI {   80}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak    80 spectrum    1 weight  0.11000E+01 volume  0.21208E-02 ppm1      8.742 ppm2      4.464 CV     1
 ASSI {   81}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.11000E+01 volume  0.30390E-02 ppm1      8.738 ppm2      2.069 CV     1
 ASSI {   82}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.11000E+01 volume  0.28201E-02 ppm1      8.014 ppm2      4.356 CV     1
 ASSI {   83}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HB2 ))
      4.200     2.200     1.800 peak    83 spectrum    1 weight  0.11000E+01 volume  0.16804E-03 ppm1      8.003 ppm2      1.508 CV     1
 ASSI {   85}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.000     1.200     1.200 peak    85 spectrum    1 weight  0.11000E+01 volume  0.12116E-02 ppm1      7.957 ppm2      1.555 CV     1
 ASSI {   86}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak    86 spectrum    1 weight  0.11000E+01 volume  0.14045E-02 ppm1      7.949 ppm2      4.383 CV     1
 ASSI {   87}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HG  ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.11000E+01 volume  0.22793E-02 ppm1      7.944 ppm2      1.669 CV     1
 ASSI {   88}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.11000E+01 volume  0.15159E-02 ppm1      7.942 ppm2      4.233 CV     1
 ASSI {   90}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.11000E+01 volume  0.86419E-03 ppm1      7.944 ppm2      1.333 CV     1
 ASSI {   91}
   (( segid "A   " and resid 56   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
      2.800     2.800     3.200 peak    91 spectrum    1 weight  0.11000E+01 volume  0.36488E-02 ppm1      7.942 ppm2      0.771 CV     1
 ASSI {   92}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      6.000     4.700     0.000 peak    92 spectrum    1 weight  0.11000E+01 volume  0.58343E-04 ppm1      7.939 ppm2      1.866 CV     1
 ASSI {   94}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HG1 ))
      5.000     3.100     1.000 peak    94 spectrum    1 weight  0.11000E+01 volume  0.16123E-03 ppm1      7.057 ppm2      2.701 CV     1
 ASSI {   95}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 61   and name HG2%)
      4.300     4.300     1.700 peak    95 spectrum    1 weight  0.11000E+01 volume  0.14748E-02 ppm1      7.056 ppm2      0.780 CV     1
 ASSI {   96}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.11000E+01 volume  0.18926E-02 ppm1      7.054 ppm2      4.282 CV     1
 ASSI {   97}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.11000E+01 volume  0.41769E-03 ppm1      7.054 ppm2      4.141 CV     1
 ASSI {   98}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      5.700     4.000     0.300 peak    98 spectrum    1 weight  0.11000E+01 volume  0.60519E-04 ppm1      7.054 ppm2      2.827 CV     1
 ASSI {   99}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB1 ))
      3.000     1.100     1.100 peak    99 spectrum    1 weight  0.11000E+01 volume  0.19020E-02 ppm1      7.054 ppm2      2.543 CV     1
 ASSI {  101}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      2.200     0.600     0.600 peak   101 spectrum    1 weight  0.11000E+01 volume  0.38765E-02 ppm1      7.055 ppm2      2.071 CV     1
 ASSI {  102}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 61   and name HG12))
      5.100     3.200     0.900 peak   102 spectrum    1 weight  0.11000E+01 volume  0.17524E-03 ppm1      7.051 ppm2      1.832 CV     1
 ASSI {  104}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   104 spectrum    1 weight  0.11000E+01 volume  0.47262E-03 ppm1      8.441 ppm2      4.149 CV     1
 ASSI {  105}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      4.700     2.800     1.300 peak   105 spectrum    1 weight  0.11000E+01 volume  0.12685E-03 ppm1      8.440 ppm2      3.872 CV     1
 ASSI {  106}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      5.000     3.100     1.000 peak   106 spectrum    1 weight  0.11000E+01 volume  0.64236E-04 ppm1      8.442 ppm2      3.576 CV     1
 ASSI {  107}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.11000E+01 volume  0.36557E-02 ppm1      8.440 ppm2      1.894 CV     1
 ASSI {  108}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
      3.500     1.500     1.500 peak   108 spectrum    1 weight  0.11000E+01 volume  0.49502E-03 ppm1      8.440 ppm2      1.329 CV     1
 ASSI {  109}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 61   and name HG2%)
      3.500     1.500     1.500 peak   109 spectrum    1 weight  0.11000E+01 volume  0.11521E-02 ppm1      8.440 ppm2      0.788 CV     1
 ASSI {  110}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.11000E+01 volume  0.17078E-02 ppm1      8.439 ppm2      3.969 CV     1
 ASSI {  114}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
      5.200     5.200     0.800 peak   114 spectrum    1 weight  0.11000E+01 volume  0.33140E-04 ppm1      8.216 ppm2      2.038 CV     1
 ASSI {  115}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   115 spectrum    1 weight  0.11000E+01 volume  0.82691E-03 ppm1      9.315 ppm2      4.587 CV     1
 ASSI {  116}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.11000E+01 volume  0.42296E-02 ppm1      9.313 ppm2      4.247 CV     1
 ASSI {  117}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HG1 ))
      3.800     1.800     1.800 peak   117 spectrum    1 weight  0.11000E+01 volume  0.84631E-03 ppm1      9.314 ppm2      2.698 CV     1
 ASSI {  118}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak   118 spectrum    1 weight  0.11000E+01 volume  0.12898E-02 ppm1      9.312 ppm2      2.344 CV     1
 ASSI {  120}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
      3.700     1.700     1.700 peak   120 spectrum    1 weight  0.11000E+01 volume  0.43606E-03 ppm1      9.313 ppm2      1.330 CV     1
 ASSI {  121}
   (( segid "A   " and resid 57   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
      3.400     1.400     1.400 peak   121 spectrum    1 weight  0.11000E+01 volume  0.22149E-02 ppm1      9.312 ppm2      0.781 CV     1
 ASSI {  122}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.11000E+01 volume  0.10600E-02 ppm1      9.310 ppm2      2.827 CV     1
 ASSI {  123}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 60   and name HB1 ))
      4.800     2.900     1.200 peak   123 spectrum    1 weight  0.11000E+01 volume  0.10818E-03 ppm1      9.304 ppm2      2.536 CV     1
 ASSI {  124}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.700     4.100     0.300 peak   124 spectrum    1 weight  0.11000E+01 volume  0.28689E-04 ppm1      9.305 ppm2      1.575 CV     1
 ASSI {  125}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.600     2.600     3.400 peak   125 spectrum    1 weight  0.11000E+01 volume  0.76090E-03 ppm1      8.265 ppm2      1.770 CV     1
 ASSI {  126}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 11   and name HD2 ))
      6.000     6.000     0.000 peak   126 spectrum    1 weight  0.11000E+01 volume  0.63809E-04 ppm1      8.269 ppm2      1.638 CV     1
 ASSI {  127}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.100     2.100     3.900 peak   127 spectrum    1 weight  0.11000E+01 volume  0.16035E-01 ppm1      8.263 ppm2      4.548 CV     1
 ASSI {  128}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      4.500     2.500     1.500 peak   128 spectrum    1 weight  0.11000E+01 volume  0.82139E-03 ppm1      8.263 ppm2      4.146 CV     1
 ASSI {  132}
   (( segid "A   " and resid 13   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      4.700     2.800     1.300 peak   132 spectrum    1 weight  0.11000E+01 volume  0.70919E-03 ppm1      8.262 ppm2      1.383 CV     1
 ASSI {  133}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak   133 spectrum    1 weight  0.11000E+01 volume  0.53982E-03 ppm1      8.228 ppm2      3.182 CV     1
 ASSI {  134}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HG2 ))
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.11000E+01 volume  0.49282E-03 ppm1      8.229 ppm2      2.503 CV     1
 ASSI {  135}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   135 spectrum    1 weight  0.11000E+01 volume  0.24221E-02 ppm1      8.224 ppm2      4.651 CV     1
 ASSI {  136}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.11000E+01 volume  0.18799E-02 ppm1      8.229 ppm2      4.319 CV     1
 ASSI {  138}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HG1 ))
      4.400     2.400     1.600 peak   138 spectrum    1 weight  0.11000E+01 volume  0.40422E-03 ppm1      8.225 ppm2      2.595 CV     1
 ASSI {  139}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      3.900     1.900     1.900 peak   139 spectrum    1 weight  0.11000E+01 volume  0.34011E-03 ppm1      8.219 ppm2      3.315 CV     1
 ASSI {  140}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
      6.000     5.600     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.56952E-04 ppm1      8.147 ppm2      2.058 CV     1
 OR {  140}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 13   and name HE% )
 ASSI {  141}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 5    and name HA  ))
      2.400     2.400     3.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      8.142 ppm2      4.776 CV     1
 ASSI {  142}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.54799E-02 ppm1      8.140 ppm2      4.520 CV     1
 ASSI {  143}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.000     0.500     0.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.95431E-02 ppm1      8.140 ppm2      1.739 CV     1
 ASSI {  144}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HG2 ))
      2.300     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.33545E-02 ppm1      8.139 ppm2      1.371 CV     1
 ASSI {  145}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.39951E-02 ppm1      8.138 ppm2      4.157 CV     1
 ASSI {  146}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.32965E-02 ppm1      8.139 ppm2      2.703 CV     1
 ASSI {  148}
   (( segid "A   " and resid 83   and name HN  ))
   (  segid "A   " and resid 83   and name HB% )
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.11000E+01 volume  0.16264E-02 ppm1      7.733 ppm2      1.468 CV     1
 ASSI {  159}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      4.000     4.000     2.000 peak   159 spectrum    1 weight  0.11000E+01 volume  0.15621E-02 ppm1      8.322 ppm2      4.649 CV     1
 ASSI {  160}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      4.600     2.600     1.400 peak   160 spectrum    1 weight  0.11000E+01 volume  0.12163E-03 ppm1      8.203 ppm2      4.534 CV     1
 ASSI {  167}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.400     1.500     1.500 peak   167 spectrum    1 weight  0.11000E+01 volume  0.84077E-03 ppm1      7.921 ppm2      4.156 CV     1
 ASSI {  170}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak   170 spectrum    1 weight  0.11000E+01 volume  0.11111E-02 ppm1      7.923 ppm2      1.823 CV     1
 ASSI {  171}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
      4.000     2.000     2.000 peak   171 spectrum    1 weight  0.11000E+01 volume  0.67232E-03 ppm1      7.919 ppm2      1.559 CV     1
 ASSI {  172}
   (( segid "A   " and resid 49   and name HN  ))
   (  segid "A   " and resid 49   and name HD2%)
      4.700     2.700     1.300 peak   172 spectrum    1 weight  0.11000E+01 volume  0.37411E-03 ppm1      8.222 ppm2      0.770 CV     1
 ASSI {  173}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.11000E+01 volume  0.47518E-03 ppm1      8.208 ppm2      1.885 CV     1
 ASSI {  174}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.11000E+01 volume  0.23953E-02 ppm1      8.016 ppm2      4.343 CV     1
 ASSI {  175}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.43655E-02 ppm1      8.016 ppm2      4.208 CV     1
 ASSI {  176}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      4.000     2.000     2.000 peak   176 spectrum    1 weight  0.11000E+01 volume  0.60749E-04 ppm1      8.014 ppm2      3.180 CV     1
 ASSI {  177}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.11000E+01 volume  0.19646E-02 ppm1      8.019 ppm2      1.897 CV     1
 ASSI {  178}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak   178 spectrum    1 weight  0.11000E+01 volume  0.32215E-02 ppm1      8.016 ppm2      1.799 CV     1
 ASSI {  179}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak   179 spectrum    1 weight  0.11000E+01 volume  0.27196E-02 ppm1      8.020 ppm2      1.657 CV     1
 ASSI {  180}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HD2 ))
      6.000     5.000     0.000 peak   180 spectrum    1 weight  0.11000E+01 volume  0.56986E-04 ppm1      8.019 ppm2      1.403 CV     1
 ASSI {  181}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HB1 ))
      3.900     1.900     1.900 peak   181 spectrum    1 weight  0.11000E+01 volume  0.25744E-03 ppm1      7.900 ppm2      2.637 CV     1
 ASSI {  182}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HA  ))
      5.100     3.200     0.900 peak   182 spectrum    1 weight  0.11000E+01 volume  0.89077E-04 ppm1      7.892 ppm2      4.333 CV     1
 ASSI {  183}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak   183 spectrum    1 weight  0.11000E+01 volume  0.56103E-02 ppm1      7.892 ppm2      4.087 CV     1
 ASSI {  184}
   (( segid "A   " and resid 67   and name HN  ))
   (  segid "A   " and resid 67   and name HB% )
      2.300     2.300     3.700 peak   184 spectrum    1 weight  0.11000E+01 volume  0.73374E-02 ppm1      7.891 ppm2      1.405 CV     1
 ASSI {  185}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HB2 ))
      3.900     1.900     1.900 peak   185 spectrum    1 weight  0.11000E+01 volume  0.55470E-03 ppm1      7.889 ppm2      2.743 CV     1
 ASSI {  188}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   188 spectrum    1 weight  0.11000E+01 volume  0.16520E-02 ppm1      7.833 ppm2      2.541 CV     1
 ASSI {  190}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak   190 spectrum    1 weight  0.11000E+01 volume  0.15505E-03 ppm1      7.828 ppm2      4.452 CV     1
 ASSI {  196}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HA  ))
      4.100     2.100     1.900 peak   196 spectrum    1 weight  0.11000E+01 volume  0.20940E-03 ppm1      8.769 ppm2      3.596 CV     1
 ASSI {  197}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      3.800     1.800     1.800 peak   197 spectrum    1 weight  0.11000E+01 volume  0.10874E-02 ppm1      8.766 ppm2      3.362 CV     1
 ASSI {  198}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.11000E+01 volume  0.28689E-02 ppm1      8.517 ppm2      4.178 CV     1
 ASSI {  201}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   201 spectrum    1 weight  0.11000E+01 volume  0.27555E-03 ppm1      8.364 ppm2      4.023 CV     1
 ASSI {  202}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.11000E+01 volume  0.12996E-02 ppm1      8.352 ppm2      1.943 CV     1
 ASSI {  203}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 64   and name HD2%)
      4.500     2.500     1.500 peak   203 spectrum    1 weight  0.11000E+01 volume  0.29326E-04 ppm1      8.349 ppm2      0.802 CV     1
 ASSI {  208}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      6.000     5.600     0.000 peak   208 spectrum    1 weight  0.11000E+01 volume  0.60112E-04 ppm1      7.583 ppm2      4.066 CV     1
 ASSI {  211}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 49   and name HD2%)
      2.500     2.500     3.500 peak   211 spectrum    1 weight  0.11000E+01 volume  0.88952E-03 ppm1      7.585 ppm2      0.783 CV     1
 ASSI {  212}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   212 spectrum    1 weight  0.11000E+01 volume  0.35375E-03 ppm1      7.581 ppm2      4.407 CV     1
 ASSI {  213}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   213 spectrum    1 weight  0.11000E+01 volume  0.28770E-02 ppm1      7.581 ppm2      4.155 CV     1
 ASSI {  214}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 48   and name HA2 ))
      6.000     6.000     0.000 peak   214 spectrum    1 weight  0.11000E+01 volume  0.28770E-04 ppm1      7.581 ppm2      3.867 CV     1
 ASSI {  215}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak   215 spectrum    1 weight  0.11000E+01 volume  0.88079E-02 ppm1      7.581 ppm2      2.019 CV     1
 ASSI {  216}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HD2 ))
      3.500     1.600     1.600 peak   216 spectrum    1 weight  0.11000E+01 volume  0.15621E-02 ppm1      7.578 ppm2      1.746 CV     1
 ASSI {  217}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
      4.000     2.000     2.000 peak   217 spectrum    1 weight  0.11000E+01 volume  0.85819E-03 ppm1      7.581 ppm2      1.550 CV     1
 ASSI {  218}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   218 spectrum    1 weight  0.11000E+01 volume  0.14100E-02 ppm1      8.771 ppm2      5.321 CV     1
 ASSI {  220}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HB1 ))
      2.900     1.100     1.100 peak   220 spectrum    1 weight  0.11000E+01 volume  0.17415E-02 ppm1      8.766 ppm2      2.316 CV     1
 ASSI {  223}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak   223 spectrum    1 weight  0.11000E+01 volume  0.65622E-03 ppm1      8.440 ppm2      4.148 CV     1
 ASSI {  224}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB1 ))
      3.200     1.300     1.300 peak   224 spectrum    1 weight  0.11000E+01 volume  0.11969E-02 ppm1      8.440 ppm2      3.256 CV     1
 ASSI {  225}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   225 spectrum    1 weight  0.11000E+01 volume  0.11063E-02 ppm1      8.443 ppm2      3.087 CV     1
 ASSI {  227}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.200     1.300     1.300 peak   227 spectrum    1 weight  0.11000E+01 volume  0.42008E-03 ppm1      8.447 ppm2      1.716 CV     1
 ASSI {  228}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   228 spectrum    1 weight  0.11000E+01 volume  0.12250E-02 ppm1      8.436 ppm2      2.741 CV     1
 ASSI {  229}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 28   and name HD2%)
      4.700     2.800     1.300 peak   229 spectrum    1 weight  0.11000E+01 volume  0.44797E-03 ppm1      8.435 ppm2      0.931 CV     1
 ASSI {  230}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HB1 ))
      3.000     1.100     1.100 peak   230 spectrum    1 weight  0.11000E+01 volume  0.86781E-03 ppm1      8.358 ppm2      2.505 CV     1
 OR {  230}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
 ASSI {  232}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.11000E+01 volume  0.51847E-03 ppm1      8.730 ppm2      4.648 CV     1
 ASSI {  233}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.300     0.700     0.700 peak   233 spectrum    1 weight  0.11000E+01 volume  0.25049E-02 ppm1      8.730 ppm2      4.990 CV     1
 ASSI {  234}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 44   and name HB1 ))
      3.200     1.300     1.300 peak   234 spectrum    1 weight  0.11000E+01 volume  0.16117E-02 ppm1      8.725 ppm2      2.352 CV     1
 OR {  234}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
 ASSI {  235}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.000     1.100     1.100 peak   235 spectrum    1 weight  0.11000E+01 volume  0.72349E-03 ppm1      8.729 ppm2      2.102 CV     1
 ASSI {  236}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      3.200     1.200     1.200 peak   236 spectrum    1 weight  0.11000E+01 volume  0.12275E-02 ppm1      8.731 ppm2      1.271 CV     1
 ASSI {  237}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      2.900     1.100     1.100 peak   237 spectrum    1 weight  0.11000E+01 volume  0.10501E-02 ppm1      8.732 ppm2      0.828 CV     1
 ASSI {  238}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   238 spectrum    1 weight  0.11000E+01 volume  0.53335E-03 ppm1      8.730 ppm2      4.860 CV     1
 ASSI {  240}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HB  ))
      4.500     2.600     1.500 peak   240 spectrum    1 weight  0.11000E+01 volume  0.67476E-04 ppm1      8.373 ppm2      1.771 CV     1
 ASSI {  241}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   241 spectrum    1 weight  0.11000E+01 volume  0.17316E-03 ppm1      8.120 ppm2      2.559 CV     1
 ASSI {  249}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.200     2.200     3.800 peak   249 spectrum    1 weight  0.11000E+01 volume  0.23740E-02 ppm1      8.268 ppm2      3.901 CV     1
 ASSI {  250}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.11000E+01 volume  0.15447E-02 ppm1      8.268 ppm2      3.208 CV     1
 ASSI {  251}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak   251 spectrum    1 weight  0.11000E+01 volume  0.21384E-02 ppm1      8.269 ppm2      3.114 CV     1
 ASSI {  252}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.11000E+01 volume  0.18274E-02 ppm1      7.832 ppm2      4.379 CV     1
 ASSI {  253}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   253 spectrum    1 weight  0.11000E+01 volume  0.78686E-03 ppm1      7.832 ppm2      4.282 CV     1
 ASSI {  254}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.21532E-02 ppm1      7.834 ppm2      2.827 CV     1
 ASSI {  255}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
      3.700     1.800     1.800 peak   255 spectrum    1 weight  0.11000E+01 volume  0.77752E-03 ppm1      7.836 ppm2      1.899 CV     1
 ASSI {  256}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      5.600     3.900     0.400 peak   256 spectrum    1 weight  0.11000E+01 volume  0.59358E-04 ppm1      7.830 ppm2      4.138 CV     1
 ASSI {  257}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.11000E+01 volume  0.18342E-03 ppm1      7.828 ppm2      3.972 CV     1
 ASSI {  258}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HB1 ))
      3.000     1.100     1.100 peak   258 spectrum    1 weight  0.11000E+01 volume  0.19511E-02 ppm1      7.829 ppm2      2.691 CV     1
 ASSI {  259}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      2.900     1.100     1.100 peak   259 spectrum    1 weight  0.11000E+01 volume  0.14483E-02 ppm1      7.829 ppm2      2.037 CV     1
 ASSI {  262}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.11000E+01 volume  0.33389E-02 ppm1      8.544 ppm2      4.485 CV     1
 ASSI {  263}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      3.300     1.400     1.400 peak   263 spectrum    1 weight  0.11000E+01 volume  0.17201E-02 ppm1      8.546 ppm2      3.888 CV     1
 ASSI {  265}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HG2 ))
      2.900     1.000     1.000 peak   265 spectrum    1 weight  0.11000E+01 volume  0.20965E-02 ppm1      8.142 ppm2      2.329 CV     1
 ASSI {  266}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HB2 ))
      2.300     0.600     0.600 peak   266 spectrum    1 weight  0.11000E+01 volume  0.54243E-02 ppm1      8.141 ppm2      2.058 CV     1
 ASSI {  267}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.11000E+01 volume  0.22468E-02 ppm1      8.142 ppm2      1.404 CV     1
 ASSI {  268}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HG2 ))
      3.600     1.700     1.700 peak   268 spectrum    1 weight  0.11000E+01 volume  0.67562E-03 ppm1      7.959 ppm2      2.424 CV     1
 ASSI {  273}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      4.500     2.500     1.500 peak   273 spectrum    1 weight  0.11000E+01 volume  0.24389E-03 ppm1      7.625 ppm2      4.878 CV     1
 ASSI {  274}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak   274 spectrum    1 weight  0.11000E+01 volume  0.47091E-03 ppm1      7.628 ppm2      2.622 CV     1
 ASSI {  276}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
      2.900     1.100     1.100 peak   276 spectrum    1 weight  0.11000E+01 volume  0.11151E-02 ppm1      7.629 ppm2      2.093 CV     1
 ASSI {  278}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.11000E+01 volume  0.29883E-02 ppm1      7.626 ppm2      2.355 CV     1
 ASSI {  279}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 45   and name HB1 ))
      4.300     2.300     1.700 peak   279 spectrum    1 weight  0.11000E+01 volume  0.67645E-03 ppm1      7.621 ppm2      1.408 CV     1
 ASSI {  280}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      2.800     2.800     3.200 peak   280 spectrum    1 weight  0.11000E+01 volume  0.46330E-03 ppm1      7.621 ppm2      1.277 CV     1
 ASSI {  281}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      4.100     2.100     1.900 peak   281 spectrum    1 weight  0.11000E+01 volume  0.57135E-03 ppm1      7.625 ppm2      0.814 CV     1
 ASSI {  282}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak   282 spectrum    1 weight  0.11000E+01 volume  0.30305E-02 ppm1      8.331 ppm2      4.649 CV     1
 ASSI {  283}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   283 spectrum    1 weight  0.11000E+01 volume  0.24746E-02 ppm1      8.331 ppm2      4.158 CV     1
 ASSI {  284}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.11000E+01 volume  0.19395E-02 ppm1      8.330 ppm2      3.315 CV     1
 ASSI {  285}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   285 spectrum    1 weight  0.11000E+01 volume  0.43018E-03 ppm1      8.327 ppm2      4.528 CV     1
 ASSI {  286}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.11000E+01 volume  0.17788E-02 ppm1      8.328 ppm2      1.754 CV     1
 ASSI {  287}
   (( segid "A   " and resid 84   and name HN  ))
   (  segid "A   " and resid 84   and name HB% )
      3.200     1.300     1.300 peak   287 spectrum    1 weight  0.11000E+01 volume  0.10167E-02 ppm1      7.868 ppm2      1.400 CV     1
 ASSI {  290}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      4.200     2.300     1.800 peak   290 spectrum    1 weight  0.11000E+01 volume  0.24985E-03 ppm1      8.390 ppm2      3.845 CV     1
 ASSI {  291}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   291 spectrum    1 weight  0.11000E+01 volume  0.12134E-02 ppm1      8.391 ppm2      3.776 CV     1
 ASSI {  293}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HG2 ))
      3.300     1.400     1.400 peak   293 spectrum    1 weight  0.11000E+01 volume  0.36130E-03 ppm1      8.391 ppm2      1.183 CV     1
 ASSI {  295}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.600     1.700     1.700 peak   295 spectrum    1 weight  0.11000E+01 volume  0.11426E-02 ppm1      8.392 ppm2      1.987 CV     1
 ASSI {  297}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak   297 spectrum    1 weight  0.11000E+01 volume  0.46222E-03 ppm1      8.388 ppm2      0.907 CV     1
 ASSI {  298}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      4.600     2.600     1.400 peak   298 spectrum    1 weight  0.11000E+01 volume  0.34875E-03 ppm1      7.482 ppm2      2.123 CV     1
 ASSI {  299}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      4.000     2.000     2.000 peak   299 spectrum    1 weight  0.11000E+01 volume  0.12271E-02 ppm1      7.480 ppm2      0.757 CV     1
 ASSI {  301}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.11000E+01 volume  0.50688E-03 ppm1      7.481 ppm2      3.613 CV     1
 ASSI {  302}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HG12))
      3.400     1.500     1.500 peak   302 spectrum    1 weight  0.11000E+01 volume  0.12943E-02 ppm1      7.476 ppm2      1.886 CV     1
 ASSI {  304}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      6.000     5.400     0.000 peak   304 spectrum    1 weight  0.11000E+01 volume  0.10949E-03 ppm1      7.475 ppm2      0.943 CV     1
 ASSI {  305}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 32   and name HD1%)
      3.200     1.300     1.300 peak   305 spectrum    1 weight  0.11000E+01 volume  0.20831E-02 ppm1      7.477 ppm2      0.649 CV     1
 ASSI {  306}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.11000E+01 volume  0.14638E-02 ppm1      8.578 ppm2      4.382 CV     1
 ASSI {  307}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 67   and name HB% )
      4.800     2.800     1.200 peak   307 spectrum    1 weight  0.11000E+01 volume  0.11841E-03 ppm1      8.234 ppm2      1.401 CV     1
 ASSI {  308}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 68   and name HB% )
      3.800     1.800     1.800 peak   308 spectrum    1 weight  0.11000E+01 volume  0.33733E-03 ppm1      8.234 ppm2      1.330 CV     1
 ASSI {  310}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      1.900     0.500     0.500 peak   310 spectrum    1 weight  0.11000E+01 volume  0.63518E-02 ppm1      8.096 ppm2      4.454 CV     1
 ASSI {  311}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      4.100     2.100     1.900 peak   311 spectrum    1 weight  0.11000E+01 volume  0.83020E-03 ppm1      8.098 ppm2      2.517 CV     1
 ASSI {  312}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 44   and name HB1 ))
      3.100     1.200     1.200 peak   312 spectrum    1 weight  0.11000E+01 volume  0.10446E-02 ppm1      8.098 ppm2      2.363 CV     1
 OR {  312}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
 ASSI {  313}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
      4.800     2.900     1.200 peak   313 spectrum    1 weight  0.11000E+01 volume  0.33821E-03 ppm1      8.098 ppm2      1.469 CV     1
 ASSI {  314}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 34   and name HG2%)
      3.300     1.300     1.300 peak   314 spectrum    1 weight  0.11000E+01 volume  0.55939E-02 ppm1      8.097 ppm2      1.283 CV     1
 ASSI {  316}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.11000E+01 volume  0.11320E-02 ppm1      8.095 ppm2      4.294 CV     1
 ASSI {  317}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HB  ))
      2.400     0.700     0.700 peak   317 spectrum    1 weight  0.11000E+01 volume  0.32457E-02 ppm1      8.095 ppm2      3.999 CV     1
 ASSI {  318}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB1 ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.11000E+01 volume  0.37828E-03 ppm1      7.766 ppm2      2.274 CV     1
 ASSI {  319}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.000     3.000     3.000 peak   319 spectrum    1 weight  0.11000E+01 volume  0.36427E-03 ppm1      7.766 ppm2      1.719 CV     1
 ASSI {  320}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HG1 ))
      4.800     2.900     1.200 peak   320 spectrum    1 weight  0.11000E+01 volume  0.57537E-03 ppm1      7.758 ppm2      2.460 CV     1
 ASSI {  321}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      2.200     0.600     0.600 peak   321 spectrum    1 weight  0.11000E+01 volume  0.53301E-02 ppm1      7.759 ppm2      2.117 CV     1
 ASSI {  322}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 31   and name HE% )
      3.700     1.700     1.700 peak   322 spectrum    1 weight  0.11000E+01 volume  0.28643E-02 ppm1      7.760 ppm2      2.017 CV     1
 ASSI {  323}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak   323 spectrum    1 weight  0.11000E+01 volume  0.30549E-02 ppm1      7.762 ppm2      1.896 CV     1
 ASSI {  326}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   326 spectrum    1 weight  0.11000E+01 volume  0.10845E-02 ppm1      7.758 ppm2      4.126 CV     1
 ASSI {  328}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   328 spectrum    1 weight  0.11000E+01 volume  0.32479E-02 ppm1      7.733 ppm2      4.724 CV     1
 ASSI {  329}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   329 spectrum    1 weight  0.11000E+01 volume  0.10057E-02 ppm1      7.734 ppm2      4.452 CV     1
 ASSI {  331}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HB  ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.11000E+01 volume  0.22535E-02 ppm1      7.734 ppm2      3.996 CV     1
 ASSI {  332}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.11000E+01 volume  0.20725E-02 ppm1      7.733 ppm2      3.075 CV     1
 ASSI {  333}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HB1 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.11000E+01 volume  0.22917E-02 ppm1      7.734 ppm2      2.678 CV     1
 ASSI {  334}
   (( segid "A   " and resid 35   and name HN  ))
   (  segid "A   " and resid 34   and name HG2%)
      4.000     2.000     2.000 peak   334 spectrum    1 weight  0.11000E+01 volume  0.95334E-03 ppm1      7.734 ppm2      1.282 CV     1
 ASSI {  338}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 38   and name HA2 ))
      2.200     2.200     3.800 peak   338 spectrum    1 weight  0.11000E+01 volume  0.46100E-02 ppm1     11.081 ppm2      4.413 CV     1
 ASSI {  339}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      5.200     3.300     0.800 peak   339 spectrum    1 weight  0.11000E+01 volume  0.15744E-03 ppm1     11.081 ppm2      3.938 CV     1
 ASSI {  340}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 38   and name HA1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.11000E+01 volume  0.30866E-02 ppm1     11.081 ppm2      3.700 CV     1
 ASSI {  341}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   341 spectrum    1 weight  0.11000E+01 volume  0.25132E-02 ppm1      8.376 ppm2      4.318 CV     1
 ASSI {  342}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   342 spectrum    1 weight  0.11000E+01 volume  0.10677E-02 ppm1      8.377 ppm2      4.039 CV     1
 ASSI {  343}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HG2 ))
      4.400     2.500     1.600 peak   343 spectrum    1 weight  0.11000E+01 volume  0.41901E-03 ppm1      8.376 ppm2      2.838 CV     1
 ASSI {  344}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.11000E+01 volume  0.46574E-02 ppm1      8.375 ppm2      2.746 CV     1
 ASSI {  345}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HB1 ))
      2.400     0.700     0.700 peak   345 spectrum    1 weight  0.11000E+01 volume  0.34258E-02 ppm1      8.376 ppm2      2.505 CV     1
 OR {  345}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
 ASSI {  346}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak   346 spectrum    1 weight  0.11000E+01 volume  0.91141E-03 ppm1      8.374 ppm2      1.939 CV     1
 ASSI {  347}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 67   and name HB% )
      5.000     3.100     1.000 peak   347 spectrum    1 weight  0.11000E+01 volume  0.42130E-03 ppm1      8.378 ppm2      1.403 CV     1
 ASSI {  350}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      4.100     2.100     1.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.34265E-03 ppm1      8.071 ppm2      4.349 CV     1
 ASSI {  351}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      2.900     1.000     1.000 peak   351 spectrum    1 weight  0.11000E+01 volume  0.21440E-02 ppm1      8.071 ppm2      3.012 CV     1
 ASSI {  352}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HB1 ))
      2.800     1.000     1.000 peak   352 spectrum    1 weight  0.11000E+01 volume  0.23641E-02 ppm1      8.071 ppm2      2.375 CV     1
 ASSI {  355}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak   355 spectrum    1 weight  0.11000E+01 volume  0.17999E-03 ppm1      8.063 ppm2      4.768 CV     1
 ASSI {  359}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   359 spectrum    1 weight  0.11000E+01 volume  0.57715E-03 ppm1     10.742 ppm2      3.897 CV     1
 ASSI {  360}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HA1 ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.11000E+01 volume  0.24700E-02 ppm1     10.745 ppm2      3.528 CV     1
 ASSI {  361}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   361 spectrum    1 weight  0.11000E+01 volume  0.63623E-03 ppm1      8.404 ppm2      4.454 CV     1
 ASSI {  362}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.11000E+01 volume  0.35393E-02 ppm1      8.405 ppm2      4.088 CV     1
 ASSI {  363}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HB1 ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.11000E+01 volume  0.13146E-02 ppm1      8.406 ppm2      3.392 CV     1
 ASSI {  364}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak   364 spectrum    1 weight  0.11000E+01 volume  0.18973E-02 ppm1      8.406 ppm2      3.050 CV     1
 ASSI {  366}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.61652E-02 ppm1      8.405 ppm2      2.481 CV     1
 ASSI {  368}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 65   and name HE% )
      4.600     2.600     1.400 peak   368 spectrum    1 weight  0.11000E+01 volume  0.50863E-03 ppm1      8.407 ppm2      2.048 CV     1
 ASSI {  369}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      4.100     2.100     1.900 peak   369 spectrum    1 weight  0.11000E+01 volume  0.60778E-03 ppm1      8.404 ppm2      1.265 CV     1
 ASSI {  370}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      3.500     1.500     1.500 peak   370 spectrum    1 weight  0.11000E+01 volume  0.46003E-03 ppm1      8.402 ppm2      4.651 CV     1
 ASSI {  371}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   371 spectrum    1 weight  0.11000E+01 volume  0.31234E-02 ppm1      7.942 ppm2      4.634 CV     1
 ASSI {  375}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB1 ))
      2.900     1.000     1.000 peak   375 spectrum    1 weight  0.11000E+01 volume  0.78838E-03 ppm1      7.944 ppm2      3.247 CV     1
 ASSI {  377}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak   377 spectrum    1 weight  0.11000E+01 volume  0.30393E-02 ppm1      7.943 ppm2      2.695 CV     1
 ASSI {  378}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HB  ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.11000E+01 volume  0.30864E-02 ppm1      7.942 ppm2      2.026 CV     1
 ASSI {  380}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak   380 spectrum    1 weight  0.11000E+01 volume  0.40549E-03 ppm1      7.941 ppm2      4.755 CV     1
 ASSI {  381}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HE2 ))
      4.900     3.100     1.100 peak   381 spectrum    1 weight  0.11000E+01 volume  0.30890E-03 ppm1      7.939 ppm2      2.972 CV     1
 ASSI {  382}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      2.400     0.700     0.700 peak   382 spectrum    1 weight  0.11000E+01 volume  0.40659E-02 ppm1      7.939 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HD1 ))
      3.300     1.400     1.400 peak   383 spectrum    1 weight  0.11000E+01 volume  0.18749E-02 ppm1      7.939 ppm2      1.736 CV     1
 ASSI {  385}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HG2 ))
      3.400     1.500     1.500 peak   385 spectrum    1 weight  0.11000E+01 volume  0.69638E-03 ppm1      7.937 ppm2      1.543 CV     1
 ASSI {  386}
   (( segid "A   " and resid 71   and name HN  ))
   (  segid "A   " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak   386 spectrum    1 weight  0.11000E+01 volume  0.12578E-02 ppm1      7.940 ppm2      1.021 CV     1
 ASSI {  397}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      6.000     6.000     0.000 peak   397 spectrum    1 weight  0.11000E+01 volume  0.28836E-04 ppm1      8.167 ppm2      2.542 CV     1
 ASSI {  398}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   398 spectrum    1 weight  0.11000E+01 volume  0.14369E-02 ppm1      8.159 ppm2      4.721 CV     1
 ASSI {  399}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      4.800     2.900     1.200 peak   399 spectrum    1 weight  0.11000E+01 volume  0.17673E-03 ppm1      8.155 ppm2      4.431 CV     1
 ASSI {  400}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      1.900     0.400     0.400 peak   400 spectrum    1 weight  0.11000E+01 volume  0.10269E-01 ppm1      8.159 ppm2      4.341 CV     1
 ASSI {  401}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HB  ))
      2.500     2.500     3.500 peak   401 spectrum    1 weight  0.11000E+01 volume  0.10850E-02 ppm1      8.158 ppm2      3.989 CV     1
 ASSI {  403}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HB1 ))
      3.200     1.300     1.300 peak   403 spectrum    1 weight  0.11000E+01 volume  0.20982E-02 ppm1      8.159 ppm2      2.742 CV     1
 ASSI {  404}
   (( segid "A   " and resid 36   and name HN  ))
   (  segid "A   " and resid 34   and name HG2%)
      3.200     3.200     2.800 peak   404 spectrum    1 weight  0.11000E+01 volume  0.22907E-03 ppm1      8.159 ppm2      1.280 CV     1
 ASSI {  405}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   405 spectrum    1 weight  0.11000E+01 volume  0.57901E-03 ppm1      7.869 ppm2      4.637 CV     1
 ASSI {  406}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.11000E+01 volume  0.72942E-02 ppm1      7.869 ppm2      3.897 CV     1
 ASSI {  407}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak   407 spectrum    1 weight  0.11000E+01 volume  0.32137E-02 ppm1      7.869 ppm2      1.950 CV     1
 ASSI {  408}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HD1 ))
      4.700     2.800     1.300 peak   408 spectrum    1 weight  0.11000E+01 volume  0.18490E-03 ppm1      7.871 ppm2      1.656 CV     1
 ASSI {  409}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HG1 ))
      3.300     1.300     1.300 peak   409 spectrum    1 weight  0.11000E+01 volume  0.11695E-02 ppm1      7.866 ppm2      1.445 CV     1
 ASSI {  410}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HG2 ))
      2.900     1.100     1.100 peak   410 spectrum    1 weight  0.11000E+01 volume  0.15336E-02 ppm1      7.870 ppm2      1.350 CV     1
 ASSI {  411}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HD2 ))
      3.800     1.800     1.800 peak   411 spectrum    1 weight  0.11000E+01 volume  0.73965E-03 ppm1      7.867 ppm2      1.755 CV     1
 ASSI {  414}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      2.400     0.700     0.700 peak   414 spectrum    1 weight  0.11000E+01 volume  0.51078E-02 ppm1      8.868 ppm2      4.307 CV     1
 OR {  414}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
 ASSI {  415}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.600     0.900     0.900 peak   415 spectrum    1 weight  0.11000E+01 volume  0.30166E-02 ppm1      8.867 ppm2      3.897 CV     1
 ASSI {  416}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      3.400     1.500     1.500 peak   416 spectrum    1 weight  0.11000E+01 volume  0.24069E-02 ppm1      8.864 ppm2      3.993 CV     1
 ASSI {  417}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   417 spectrum    1 weight  0.11000E+01 volume  0.32728E-03 ppm1      8.862 ppm2      1.963 CV     1
 ASSI {  419}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      6.000     5.300     0.000 peak   419 spectrum    1 weight  0.11000E+01 volume  0.29114E-04 ppm1      8.617 ppm2      4.772 CV     1
 ASSI {  421}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   421 spectrum    1 weight  0.11000E+01 volume  0.28875E-02 ppm1      8.612 ppm2      3.944 CV     1
 ASSI {  422}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 38   and name HA1 ))
      6.000     5.100     0.000 peak   422 spectrum    1 weight  0.11000E+01 volume  0.16790E-03 ppm1      8.610 ppm2      3.704 CV     1
 ASSI {  433}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   433 spectrum    1 weight  0.11000E+01 volume  0.44790E-02 ppm1      7.975 ppm2      4.171 CV     1
 ASSI {  435}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      2.900     1.000     1.000 peak   435 spectrum    1 weight  0.11000E+01 volume  0.22191E-02 ppm1      7.975 ppm2      3.536 CV     1
 ASSI {  436}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      3.400     1.400     1.400 peak   436 spectrum    1 weight  0.11000E+01 volume  0.88899E-03 ppm1      7.976 ppm2      0.970 CV     1
 ASSI {  438}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      4.800     2.900     1.200 peak   438 spectrum    1 weight  0.11000E+01 volume  0.33665E-03 ppm1      7.968 ppm2      1.861 CV     1
 ASSI {  439}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      4.300     2.300     1.700 peak   439 spectrum    1 weight  0.11000E+01 volume  0.30319E-03 ppm1      8.770 ppm2      4.585 CV     1
 ASSI {  440}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak   440 spectrum    1 weight  0.11000E+01 volume  0.30356E-02 ppm1      8.771 ppm2      4.144 CV     1
 ASSI {  442}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      4.700     2.800     1.300 peak   442 spectrum    1 weight  0.11000E+01 volume  0.16146E-03 ppm1      8.773 ppm2      2.837 CV     1
 ASSI {  444}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   444 spectrum    1 weight  0.11000E+01 volume  0.38558E-02 ppm1      8.767 ppm2      2.187 CV     1
 OR {  444}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB1 ))
 ASSI {  446}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 61   and name HG11))
      5.900     4.300     0.100 peak   446 spectrum    1 weight  0.11000E+01 volume  0.58506E-04 ppm1      8.768 ppm2      0.771 CV     1
 ASSI {  465}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HA  ))
      2.900     2.900     3.100 peak   465 spectrum    1 weight  0.11000E+01 volume  0.68711E-02 ppm1      8.456 ppm2      4.774 CV     1
 ASSI {  466}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.600     0.900     0.900 peak   466 spectrum    1 weight  0.11000E+01 volume  0.34495E-02 ppm1      8.457 ppm2      4.455 CV     1
 ASSI {  467}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.500     2.500     3.500 peak   467 spectrum    1 weight  0.11000E+01 volume  0.86959E-02 ppm1      8.455 ppm2      3.910 CV     1
 ASSI {  473}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 49   and name HD2%)
      4.300     2.300     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.35236E-03 ppm1      8.793 ppm2      0.770 CV     1
 ASSI {  474}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 48   and name HA2 ))
      3.100     1.200     1.200 peak   474 spectrum    1 weight  0.11000E+01 volume  0.19174E-02 ppm1      8.788 ppm2      3.862 CV     1
 ASSI {  475}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 48   and name HA1 ))
      2.600     0.800     0.800 peak   475 spectrum    1 weight  0.11000E+01 volume  0.18975E-02 ppm1      8.791 ppm2      3.577 CV     1
 ASSI {  476}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   476 spectrum    1 weight  0.11000E+01 volume  0.32220E-03 ppm1      8.785 ppm2      2.552 CV     1
 ASSI {  477}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      4.100     2.100     1.900 peak   477 spectrum    1 weight  0.11000E+01 volume  0.37079E-03 ppm1      8.783 ppm2      2.679 CV     1
 ASSI {  478}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      3.800     1.800     1.800 peak   478 spectrum    1 weight  0.11000E+01 volume  0.38296E-03 ppm1      7.354 ppm2      0.966 CV     1
 ASSI {  479}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 53   and name HA2 ))
      2.400     0.700     0.700 peak   479 spectrum    1 weight  0.11000E+01 volume  0.28548E-02 ppm1      7.702 ppm2      4.089 CV     1
 ASSI {  480}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      4.600     2.700     1.400 peak   480 spectrum    1 weight  0.11000E+01 volume  0.14009E-03 ppm1      7.698 ppm2      4.315 CV     1
 ASSI {  481}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 53   and name HA1 ))
      2.900     1.100     1.100 peak   481 spectrum    1 weight  0.11000E+01 volume  0.29412E-02 ppm1      7.699 ppm2      3.813 CV     1
 ASSI {  482}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      4.400     2.400     1.600 peak   482 spectrum    1 weight  0.11000E+01 volume  0.23784E-03 ppm1      7.694 ppm2      0.964 CV     1
 ASSI {  483}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      3.300     1.300     1.300 peak   483 spectrum    1 weight  0.11000E+01 volume  0.81817E-03 ppm1      7.739 ppm2      4.981 CV     1
 ASSI {  484}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HA2 ))
      3.400     1.500     1.500 peak   484 spectrum    1 weight  0.11000E+01 volume  0.10994E-02 ppm1      7.740 ppm2      4.412 CV     1
 ASSI {  485}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      3.900     1.900     1.900 peak   485 spectrum    1 weight  0.11000E+01 volume  0.15513E-02 ppm1      7.739 ppm2      4.262 CV     1
 ASSI {  486}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak   486 spectrum    1 weight  0.11000E+01 volume  0.61232E-03 ppm1      7.742 ppm2      3.939 CV     1
 ASSI {  487}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HB  ))
      4.300     2.300     1.700 peak   487 spectrum    1 weight  0.11000E+01 volume  0.23095E-03 ppm1      7.739 ppm2      3.844 CV     1
 ASSI {  488}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HA1 ))
      3.400     1.500     1.500 peak   488 spectrum    1 weight  0.11000E+01 volume  0.13976E-02 ppm1      7.739 ppm2      3.699 CV     1
 ASSI {  489}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      3.300     1.300     1.300 peak   489 spectrum    1 weight  0.11000E+01 volume  0.12635E-02 ppm1      7.741 ppm2      1.172 CV     1
 ASSI {  502}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      2.300     0.700     0.700 peak   502 spectrum    1 weight  0.11000E+01 volume  0.25000E-02 ppm1      9.156 ppm2      5.153 CV     1
 ASSI {  503}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 71   and name HB1 ))
      3.600     3.600     2.400 peak   503 spectrum    1 weight  0.11000E+01 volume  0.11165E-03 ppm1      9.162 ppm2      2.659 CV     1
 ASSI {  505}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.11000E+01 volume  0.10979E-02 ppm1      9.164 ppm2      1.295 CV     1
 ASSI {  508}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   508 spectrum    1 weight  0.11000E+01 volume  0.88625E-03 ppm1      7.585 ppm2      4.870 CV     1
 ASSI {  509}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      4.400     2.500     1.600 peak   509 spectrum    1 weight  0.11000E+01 volume  0.39875E-03 ppm1      7.585 ppm2      3.994 CV     1
 ASSI {  510}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      3.600     1.600     1.600 peak   510 spectrum    1 weight  0.11000E+01 volume  0.97308E-03 ppm1      7.589 ppm2      1.085 CV     1
 ASSI {  511}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HB  ))
      4.300     2.300     1.700 peak   511 spectrum    1 weight  0.11000E+01 volume  0.20380E-03 ppm1      7.578 ppm2      3.767 CV     1
 ASSI {  512}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HA1 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.11000E+01 volume  0.11077E-02 ppm1      7.582 ppm2      3.533 CV     1
 ASSI {  514}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   514 spectrum    1 weight  0.11000E+01 volume  0.21702E-02 ppm1      9.717 ppm2      4.988 CV     1
 ASSI {  515}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      4.500     2.600     1.500 peak   515 spectrum    1 weight  0.11000E+01 volume  0.56674E-03 ppm1      9.718 ppm2      2.018 CV     1
 ASSI {  516}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.11000E+01 volume  0.91790E-03 ppm1      9.716 ppm2      1.722 CV     1
 ASSI {  517}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      4.500     2.500     1.500 peak   517 spectrum    1 weight  0.11000E+01 volume  0.60866E-03 ppm1      9.715 ppm2      1.165 CV     1
 ASSI {  518}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      3.200     1.300     1.300 peak   518 spectrum    1 weight  0.11000E+01 volume  0.58506E-03 ppm1      9.719 ppm2      0.951 CV     1
 ASSI {  519}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      4.900     3.000     1.100 peak   519 spectrum    1 weight  0.11000E+01 volume  0.31976E-03 ppm1      9.713 ppm2      0.838 CV     1
 ASSI {  520}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HB  ))
      3.600     1.700     1.700 peak   520 spectrum    1 weight  0.11000E+01 volume  0.77618E-03 ppm1      9.717 ppm2      3.828 CV     1
 ASSI {  521}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HA1 ))
      2.400     0.700     0.700 peak   521 spectrum    1 weight  0.11000E+01 volume  0.33079E-02 ppm1      8.380 ppm2      3.904 CV     1
 ASSI {  522}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HA2 ))
      3.000     1.100     1.100 peak   522 spectrum    1 weight  0.11000E+01 volume  0.25288E-02 ppm1      8.378 ppm2      3.537 CV     1
 ASSI {  530}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.11000E+01 volume  0.19503E-02 ppm1      8.377 ppm2      8.214 CV     1
 ASSI {  531}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   531 spectrum    1 weight  0.11000E+01 volume  0.26176E-02 ppm1      8.377 ppm2      8.143 CV     1
 ASSI {  532}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      6.000     6.000     0.000 peak   532 spectrum    1 weight  0.11000E+01 volume  0.31356E-04 ppm1      8.377 ppm2      8.002 CV     1
 ASSI {  540}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   540 spectrum    1 weight  0.11000E+01 volume  0.11409E-02 ppm1      8.214 ppm2      8.511 CV     1
 ASSI {  542}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 65   and name HN  ))
      2.900     1.100     1.100 peak   542 spectrum    1 weight  0.11000E+01 volume  0.94619E-03 ppm1      7.810 ppm2      8.358 CV     1
 ASSI {  546}
   (( segid "A   " and resid 81   and name HN  ))
   (  segid "A   " and resid 81   and name HD% )
      5.100     3.300     0.900 peak   546 spectrum    1 weight  0.11000E+01 volume  0.48826E-03 ppm1      8.921 ppm2      7.026 CV     1
 ASSI {  548}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
      4.600     2.600     1.400 peak   548 spectrum    1 weight  0.11000E+01 volume  0.36905E-03 ppm1      9.471 ppm2      7.301 CV     1
 ASSI {  550}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.11000E+01 volume  0.73157E-03 ppm1      7.941 ppm2      9.084 CV     1
 ASSI {  552}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      3.600     1.600     1.600 peak   552 spectrum    1 weight  0.11000E+01 volume  0.66522E-03 ppm1      7.056 ppm2      9.298 CV     1
 ASSI {  554}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   554 spectrum    1 weight  0.11000E+01 volume  0.19744E-02 ppm1      7.056 ppm2      8.199 CV     1
 ASSI {  555}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.13807E-02 ppm1      7.053 ppm2      8.770 CV     1
 ASSI {  556}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      2.600     0.900     0.900 peak   556 spectrum    1 weight  0.11000E+01 volume  0.12995E-02 ppm1      8.438 ppm2      8.199 CV     1
 ASSI {  558}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.11000E+01 volume  0.58435E-03 ppm1      8.438 ppm2      7.274 CV     1
 OR {  558}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
 ASSI {  559}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak   559 spectrum    1 weight  0.11000E+01 volume  0.27511E-03 ppm1      8.435 ppm2      7.058 CV     1
 ASSI {  561}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   561 spectrum    1 weight  0.11000E+01 volume  0.14135E-02 ppm1      8.267 ppm2      8.519 CV     1
 ASSI {  562}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      2.700     2.700     3.300 peak   562 spectrum    1 weight  0.11000E+01 volume  0.55407E-02 ppm1      8.261 ppm2      8.136 CV     1
 ASSI {  563}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      1.900     0.500     0.500 peak   563 spectrum    1 weight  0.11000E+01 volume  0.88906E-02 ppm1      8.225 ppm2      8.341 CV     1
 ASSI {  567}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      1.900     0.400     0.400 peak   567 spectrum    1 weight  0.11000E+01 volume  0.86581E-02 ppm1      8.134 ppm2      8.312 CV     1
 ASSI {  568}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   568 spectrum    1 weight  0.11000E+01 volume  0.16220E-02 ppm1      7.922 ppm2      7.578 CV     1
 ASSI {  569}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak   569 spectrum    1 weight  0.11000E+01 volume  0.10097E-02 ppm1      7.920 ppm2      7.351 CV     1
 ASSI {  570}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   570 spectrum    1 weight  0.11000E+01 volume  0.39875E-02 ppm1      8.017 ppm2      8.140 CV     1
 ASSI {  571}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak   571 spectrum    1 weight  0.11000E+01 volume  0.82971E-03 ppm1      7.894 ppm2      8.266 CV     1
 ASSI {  572}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.11000E+01 volume  0.18214E-02 ppm1      7.889 ppm2      8.362 CV     1
 ASSI {  576}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 79   and name HN  ))
      3.400     1.500     1.500 peak   576 spectrum    1 weight  0.11000E+01 volume  0.40085E-03 ppm1      8.770 ppm2      8.360 CV     1
 ASSI {  578}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   578 spectrum    1 weight  0.11000E+01 volume  0.56578E-03 ppm1      8.529 ppm2      8.004 CV     1
 ASSI {  579}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.11000E+01 volume  0.59724E-03 ppm1      8.518 ppm2      8.732 CV     1
 ASSI {  581}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      2.800     0.900     0.900 peak   581 spectrum    1 weight  0.11000E+01 volume  0.80404E-03 ppm1      7.581 ppm2      8.216 CV     1
 ASSI {  583}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 78   and name HD% )
      4.300     2.300     1.700 peak   583 spectrum    1 weight  0.11000E+01 volume  0.28828E-03 ppm1      8.769 ppm2      6.266 CV     1
 ASSI {  584}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak   584 spectrum    1 weight  0.11000E+01 volume  0.66217E-03 ppm1      8.438 ppm2      8.207 CV     1
 ASSI {  585}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.11000E+01 volume  0.95807E-03 ppm1      8.439 ppm2      7.946 CV     1
 ASSI {  586}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 78   and name HE% )
      4.200     4.200     1.800 peak   586 spectrum    1 weight  0.11000E+01 volume  0.44446E-03 ppm1      8.440 ppm2      7.254 CV     1
 ASSI {  592}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.11000E+01 volume  0.89450E-03 ppm1      7.835 ppm2      8.443 CV     1
 ASSI {  595}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak   595 spectrum    1 weight  0.11000E+01 volume  0.69365E-03 ppm1      7.968 ppm2      8.166 CV     1
 ASSI {  596}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HN  ))
      3.600     1.700     1.700 peak   596 spectrum    1 weight  0.11000E+01 volume  0.32389E-03 ppm1      7.959 ppm2      8.437 CV     1
 ASSI {  597}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.11000E+01 volume  0.89479E-03 ppm1      7.631 ppm2      8.614 CV     1
 ASSI {  599}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   599 spectrum    1 weight  0.11000E+01 volume  0.20531E-03 ppm1      7.622 ppm2      8.724 CV     1
 ASSI {  602}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak   602 spectrum    1 weight  0.11000E+01 volume  0.10350E-02 ppm1      8.393 ppm2      8.611 CV     1
 ASSI {  603}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.11000E+01 volume  0.72005E-03 ppm1      8.394 ppm2      8.119 CV     1
 ASSI {  604}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.11000E+01 volume  0.15947E-02 ppm1      7.475 ppm2      7.828 CV     1
 ASSI {  609}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 35   and name HN  ))
      2.300     0.700     0.700 peak   609 spectrum    1 weight  0.11000E+01 volume  0.28821E-02 ppm1      8.096 ppm2      7.730 CV     1
 ASSI {  613}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak   613 spectrum    1 weight  0.11000E+01 volume  0.16795E-02 ppm1      7.760 ppm2      7.939 CV     1
 ASSI {  614}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.11000E+01 volume  0.17750E-02 ppm1      7.762 ppm2      7.477 CV     1
 ASSI {  615}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   615 spectrum    1 weight  0.11000E+01 volume  0.79199E-03 ppm1      7.732 ppm2      8.612 CV     1
 ASSI {  616}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 36   and name HN  ))
      1.900     0.400     0.400 peak   616 spectrum    1 weight  0.11000E+01 volume  0.77886E-02 ppm1      7.733 ppm2      8.154 CV     1
 ASSI {  619}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      5.300     5.300     0.700 peak   619 spectrum    1 weight  0.11000E+01 volume  0.16328E-03 ppm1     11.081 ppm2      6.964 CV     1
 ASSI {  621}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 68   and name HN  ))
      3.300     1.400     1.400 peak   621 spectrum    1 weight  0.11000E+01 volume  0.58096E-03 ppm1      8.073 ppm2      8.254 CV     1
 ASSI {  628}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   628 spectrum    1 weight  0.11000E+01 volume  0.14201E-02 ppm1      8.404 ppm2      9.471 CV     1
 ASSI {  629}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak   629 spectrum    1 weight  0.11000E+01 volume  0.12462E-02 ppm1      8.405 ppm2      7.625 CV     1
 ASSI {  630}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
      3.700     1.700     1.700 peak   630 spectrum    1 weight  0.11000E+01 volume  0.74287E-03 ppm1      8.403 ppm2      7.298 CV     1
 ASSI {  631}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak   631 spectrum    1 weight  0.11000E+01 volume  0.39587E-03 ppm1      7.943 ppm2      8.871 CV     1
 ASSI {  633}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak   633 spectrum    1 weight  0.11000E+01 volume  0.31210E-02 ppm1      7.941 ppm2      8.067 CV     1
 ASSI {  638}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   638 spectrum    1 weight  0.11000E+01 volume  0.26666E-02 ppm1      8.158 ppm2      8.610 CV     1
 ASSI {  642}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 70   and name HN  ))
      6.000     4.600     0.000 peak   642 spectrum    1 weight  0.11000E+01 volume  0.60290E-04 ppm1      7.866 ppm2      8.041 CV     1
 ASSI {  643}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   643 spectrum    1 weight  0.11000E+01 volume  0.26047E-02 ppm1      8.867 ppm2     10.747 CV     1
 ASSI {  646}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak   646 spectrum    1 weight  0.11000E+01 volume  0.25610E-02 ppm1      8.867 ppm2      7.869 CV     1
 ASSI {  647}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 75   and name HN  ))
      3.600     1.700     1.700 peak   647 spectrum    1 weight  0.11000E+01 volume  0.91844E-03 ppm1      8.867 ppm2      7.582 CV     1
 ASSI {  652}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      5.600     3.900     0.400 peak   652 spectrum    1 weight  0.11000E+01 volume  0.13030E-03 ppm1      7.979 ppm2      7.357 CV     1
 ASSI {  653}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.11000E+01 volume  0.22399E-02 ppm1      7.976 ppm2      7.699 CV     1
 ASSI {  662}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.11000E+01 volume  0.11408E-02 ppm1      8.771 ppm2      9.093 CV     1
 ASSI {  663}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      4.600     2.700     1.400 peak   663 spectrum    1 weight  0.11000E+01 volume  0.18455E-03 ppm1      8.771 ppm2      8.197 CV     1
 ASSI {  720}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      3.400     1.500     1.500 peak   720 spectrum    1 weight  0.11000E+01 volume  0.69328E-03 ppm1      8.458 ppm2      8.272 CV     1
 ASSI {  724}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak   724 spectrum    1 weight  0.11000E+01 volume  0.54343E-03 ppm1      8.786 ppm2      8.206 CV     1
 ASSI {  726}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak   726 spectrum    1 weight  0.11000E+01 volume  0.82505E-03 ppm1      7.698 ppm2      7.353 CV     1
 ASSI {  727}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak   727 spectrum    1 weight  0.11000E+01 volume  0.59917E-03 ppm1      7.738 ppm2      8.609 CV     1
 ASSI {  736}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   736 spectrum    1 weight  0.11000E+01 volume  0.28738E-02 ppm1      7.582 ppm2     10.748 CV     1
 ASSI {  739}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 80   and name HN  ))
      3.200     1.300     1.300 peak   739 spectrum    1 weight  0.11000E+01 volume  0.65997E-03 ppm1      8.374 ppm2      8.606 CV     1
 ASSI {  740}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
      5.700     4.100     0.300 peak   740 spectrum    1 weight  0.11000E+01 volume  0.10674E-03 ppm1      9.076 ppm2      0.770 CV     1
 ASSI {  741}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   741 spectrum    1 weight  0.11000E+01 volume  0.47720E-03 ppm1      9.703 ppm2      5.160 CV     1
 ASSI {  744}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 78   and name HB1 ))
      3.600     3.600     2.400 peak   744 spectrum    1 weight  0.11000E+01 volume  0.11773E-03 ppm1      8.916 ppm2      2.275 CV     1
 ASSI {  745}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      5.500     3.800     0.500 peak   745 spectrum    1 weight  0.11000E+01 volume  0.68457E-04 ppm1      9.470 ppm2      7.611 CV     1
 ASSI {  746}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      5.900     4.300     0.100 peak   746 spectrum    1 weight  0.11000E+01 volume  0.57720E-04 ppm1      9.475 ppm2      8.734 CV     1
 ASSI {  747}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HG2 ))
      4.300     2.300     1.700 peak   747 spectrum    1 weight  0.11000E+01 volume  0.20066E-03 ppm1      8.753 ppm2      2.374 CV     1
 ASSI {  748}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      4.600     2.600     1.400 peak   748 spectrum    1 weight  0.11000E+01 volume  0.28223E-03 ppm1      9.466 ppm2      1.082 CV     1
 ASSI {  749}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      6.000     6.000     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.27643E-04 ppm1      9.475 ppm2      0.921 CV     1
 ASSI {  750}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
      4.000     2.000     2.000 peak   750 spectrum    1 weight  0.11000E+01 volume  0.30044E-03 ppm1      9.468 ppm2      2.502 CV     1
 ASSI {  761}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      4.200     2.200     1.800 peak   761 spectrum    1 weight  0.11000E+01 volume  0.20526E-03 ppm1      7.727 ppm2      3.986 CV     1
 ASSI {  762}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      5.500     3.700     0.500 peak   762 spectrum    1 weight  0.11000E+01 volume  0.21825E-03 ppm1      8.143 ppm2      3.183 CV     1
 ASSI {  764}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      4.800     2.900     1.200 peak   764 spectrum    1 weight  0.11000E+01 volume  0.39802E-03 ppm1      7.916 ppm2      0.962 CV     1
 ASSI {  768}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 48   and name HA1 ))
      3.700     1.700     1.700 peak   768 spectrum    1 weight  0.11000E+01 volume  0.10045E-03 ppm1      7.924 ppm2      3.574 CV     1
 ASSI {  769}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.500     5.500     0.500 peak   769 spectrum    1 weight  0.11000E+01 volume  0.14654E-03 ppm1      8.018 ppm2      0.796 CV     1
 ASSI {  770}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      5.200     3.400     0.800 peak   770 spectrum    1 weight  0.11000E+01 volume  0.74709E-04 ppm1      7.831 ppm2      3.612 CV     1
 ASSI {  773}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      4.000     2.000     2.000 peak   773 spectrum    1 weight  0.11000E+01 volume  0.28526E-03 ppm1      8.769 ppm2      6.960 CV     1
 ASSI {  774}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      4.800     2.900     1.200 peak   774 spectrum    1 weight  0.11000E+01 volume  0.14973E-03 ppm1      8.518 ppm2      4.472 CV     1
 ASSI {  775}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 48   and name HA1 ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.11000E+01 volume  0.82825E-04 ppm1      7.591 ppm2      3.565 CV     1
 ASSI {  776}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 29   and name HD% )
      6.000     5.600     0.000 peak   776 spectrum    1 weight  0.11000E+01 volume  0.19262E-04 ppm1      8.774 ppm2      7.091 CV     1
 ASSI {  777}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      3.300     3.300     2.700 peak   777 spectrum    1 weight  0.11000E+01 volume  0.17812E-03 ppm1      8.770 ppm2      1.164 CV     1
 ASSI {  778}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      4.900     4.900     1.100 peak   778 spectrum    1 weight  0.11000E+01 volume  0.72193E-03 ppm1      8.438 ppm2      7.014 CV     1
 ASSI {  779}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak   779 spectrum    1 weight  0.11000E+01 volume  0.26325E-03 ppm1      8.375 ppm2      3.538 CV     1
 ASSI {  781}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 82   and name HD1%)
      5.300     3.500     0.700 peak   781 spectrum    1 weight  0.11000E+01 volume  0.21103E-03 ppm1      8.375 ppm2      0.570 CV     1
 ASSI {  785}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      4.500     2.500     1.500 peak   785 spectrum    1 weight  0.11000E+01 volume  0.85902E-04 ppm1      8.372 ppm2      8.926 CV     1
 ASSI {  786}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      4.700     2.700     1.300 peak   786 spectrum    1 weight  0.11000E+01 volume  0.63794E-04 ppm1      8.098 ppm2      8.785 CV     1
 ASSI {  789}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 64   and name HD2%)
      5.600     3.900     0.400 peak   789 spectrum    1 weight  0.11000E+01 volume  0.11350E-03 ppm1      7.834 ppm2      0.794 CV     1
 ASSI {  790}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
      5.400     3.600     0.600 peak   790 spectrum    1 weight  0.11000E+01 volume  0.12107E-03 ppm1      8.148 ppm2      1.671 CV     1
 ASSI {  792}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
      5.900     4.300     0.100 peak   792 spectrum    1 weight  0.11000E+01 volume  0.12119E-03 ppm1      8.322 ppm2      2.070 CV     1
 ASSI {  793}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak   793 spectrum    1 weight  0.11000E+01 volume  0.17400E-03 ppm1      7.473 ppm2      3.081 CV     1
 ASSI {  794}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      6.000     5.200     0.000 peak   794 spectrum    1 weight  0.11000E+01 volume  0.85199E-04 ppm1      7.476 ppm2      2.543 CV     1
 ASSI {  796}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      6.000     6.000     0.000 peak   796 spectrum    1 weight  0.11000E+01 volume  0.67247E-04 ppm1      7.763 ppm2      0.780 CV     1
 ASSI {  797}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 32   and name HD1%)
      6.000     4.600     0.000 peak   797 spectrum    1 weight  0.11000E+01 volume  0.90631E-04 ppm1      7.762 ppm2      0.651 CV     1
 ASSI {  800}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 29   and name HD% )
      5.400     3.600     0.600 peak   800 spectrum    1 weight  0.11000E+01 volume  0.10034E-03 ppm1     11.077 ppm2      7.097 CV     1
 ASSI {  801}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      3.400     3.400     2.600 peak   801 spectrum    1 weight  0.11000E+01 volume  0.16858E-03 ppm1     11.082 ppm2      4.779 CV     1
 ASSI {  808}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
      4.200     2.200     1.800 peak   808 spectrum    1 weight  0.11000E+01 volume  0.74284E-04 ppm1      8.160 ppm2      1.481 CV     1
 ASSI {  810}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      5.600     3.900     0.400 peak   810 spectrum    1 weight  0.11000E+01 volume  0.15190E-03 ppm1      7.863 ppm2      4.309 CV     1
 OR {  810}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
 ASSI {  811}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      4.700     2.800     1.300 peak   811 spectrum    1 weight  0.11000E+01 volume  0.25236E-03 ppm1      7.863 ppm2      3.024 CV     1
 ASSI {  812}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HB1 ))
      5.400     3.700     0.600 peak   812 spectrum    1 weight  0.11000E+01 volume  0.62271E-04 ppm1      7.859 ppm2      2.679 CV     1
 ASSI {  814}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 71   and name HA  ))
      6.000     4.900     0.000 peak   814 spectrum    1 weight  0.11000E+01 volume  0.38475E-04 ppm1      8.864 ppm2      4.653 CV     1
 ASSI {  815}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HA1 ))
      5.700     4.100     0.300 peak   815 spectrum    1 weight  0.11000E+01 volume  0.30285E-03 ppm1      8.865 ppm2      3.525 CV     1
 ASSI {  816}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HB1 ))
      4.900     3.000     1.100 peak   816 spectrum    1 weight  0.11000E+01 volume  0.15254E-03 ppm1      8.605 ppm2      2.737 CV     1
 ASSI {  817}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      6.000     6.000     0.000 peak   817 spectrum    1 weight  0.11000E+01 volume  0.74987E-04 ppm1      8.607 ppm2      1.175 CV     1
 ASSI {  828}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   828 spectrum    1 weight  0.11000E+01 volume  0.64038E-04 ppm1      8.774 ppm2      9.320 CV     1
 ASSI {  829}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.11000E+01 volume  0.13896E-03 ppm1      8.775 ppm2      4.283 CV     1
 ASSI {  840}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      4.400     2.400     1.600 peak   840 spectrum    1 weight  0.11000E+01 volume  0.16341E-03 ppm1      8.793 ppm2      4.374 CV     1
 ASSI {  841}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      6.000     5.200     0.000 peak   841 spectrum    1 weight  0.11000E+01 volume  0.74841E-04 ppm1      8.783 ppm2      1.898 CV     1
 ASSI {  845}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 29   and name HD% )
      4.900     4.900     1.100 peak   845 spectrum    1 weight  0.11000E+01 volume  0.15825E-03 ppm1      7.739 ppm2      7.090 CV     1
 ASSI {  846}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      5.300     3.600     0.700 peak   846 spectrum    1 weight  0.11000E+01 volume  0.95099E-04 ppm1      7.737 ppm2      6.972 CV     1
 ASSI {  847}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HN  ))
      5.400     3.600     0.600 peak   847 spectrum    1 weight  0.11000E+01 volume  0.10075E-03 ppm1      7.736 ppm2      9.725 CV     1
 ASSI {  848}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 76   and name HD1%)
      5.100     3.300     0.900 peak   848 spectrum    1 weight  0.11000E+01 volume  0.25566E-03 ppm1      9.156 ppm2      0.967 CV     1
 ASSI {  849}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      3.900     1.900     1.900 peak   849 spectrum    1 weight  0.11000E+01 volume  0.17680E-03 ppm1      9.162 ppm2      3.342 CV     1
 ASSI {  850}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      6.000     4.600     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.79865E-04 ppm1      9.165 ppm2      4.137 CV     1
 ASSI {  851}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 80   and name HN  ))
      4.400     2.400     1.600 peak   851 spectrum    1 weight  0.11000E+01 volume  0.11847E-03 ppm1      9.153 ppm2      8.607 CV     1
 ASSI {  854}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      4.600     2.600     1.400 peak   854 spectrum    1 weight  0.11000E+01 volume  0.20666E-03 ppm1      7.581 ppm2      2.038 CV     1
 ASSI {  855}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak   855 spectrum    1 weight  0.11000E+01 volume  0.14094E-03 ppm1      9.164 ppm2      5.349 CV     1
 ASSI {  858}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 78   and name HD% )
      4.000     2.000     2.000 peak   858 spectrum    1 weight  0.11000E+01 volume  0.34846E-03 ppm1      8.379 ppm2      6.267 CV     1
 ASSI {  859}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      4.600     2.700     1.400 peak   859 spectrum    1 weight  0.11000E+01 volume  0.33572E-03 ppm1      9.718 ppm2      0.091 CV     1
 ASSI {  860}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HG12))
      4.800     2.900     1.200 peak   860 spectrum    1 weight  0.11000E+01 volume  0.24072E-03 ppm1      9.708 ppm2      0.307 CV     1
 ASSI {  861}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.400     1.500     1.500 peak   861 spectrum    1 weight  0.11000E+01 volume  0.25302E-03 ppm1      9.716 ppm2      5.340 CV     1
 ASSI {  862}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 29   and name HD% )
      5.000     3.100     1.000 peak   862 spectrum    1 weight  0.11000E+01 volume  0.26420E-03 ppm1      9.727 ppm2      7.093 CV     1
 ASSI {  864}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      4.200     2.200     1.800 peak   864 spectrum    1 weight  0.11000E+01 volume  0.32413E-03 ppm1      8.380 ppm2      3.377 CV     1
 ASSI {  865}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HG1 ))
      5.100     3.300     0.900 peak   865 spectrum    1 weight  0.11000E+01 volume  0.11174E-03 ppm1      8.777 ppm2      2.699 CV     1
 ASSI {  866}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HB1 ))
      6.000     5.100     0.000 peak   866 spectrum    1 weight  0.11000E+01 volume  0.13611E-03 ppm1      8.777 ppm2      2.525 CV     1
 ASSI {  867}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
      6.000     6.000     0.000 peak   867 spectrum    1 weight  0.11000E+01 volume  0.20146E-04 ppm1      8.773 ppm2      1.328 CV     1
 ASSI {  868}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 62   and name HG1 ))
      5.900     4.300     0.100 peak   868 spectrum    1 weight  0.11000E+01 volume  0.70143E-04 ppm1      8.769 ppm2      1.403 CV     1
 ASSI {  869}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      6.000     6.000     0.000 peak   869 spectrum    1 weight  0.11000E+01 volume  0.44055E-04 ppm1      8.777 ppm2      1.502 CV     1
 ASSI {  871}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      4.600     2.700     1.400 peak   871 spectrum    1 weight  0.11000E+01 volume  0.17590E-03 ppm1      9.156 ppm2      2.976 CV     1
 ASSI {  872}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 82   and name HB  ))
      6.000     5.700     0.000 peak   872 spectrum    1 weight  0.11000E+01 volume  0.51552E-04 ppm1      8.923 ppm2      1.783 CV     1
 ASSI {  873}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 80   and name HG1 ))
      5.200     3.400     0.800 peak   873 spectrum    1 weight  0.11000E+01 volume  0.93628E-04 ppm1      8.914 ppm2      2.386 CV     1
 ASSI {  875}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      3.900     1.900     1.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.65495E-04 ppm1      8.931 ppm2      2.992 CV     1
 ASSI {  879}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   879 spectrum    1 weight  0.11000E+01 volume  0.42547E-02 ppm1      7.617 ppm2      1.938 CV     1
 ASSI {  880}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      6.000     5.500     0.000 peak   880 spectrum    1 weight  0.11000E+01 volume  0.70961E-04 ppm1      7.631 ppm2      3.864 CV     1
 ASSI {  881}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      5.300     3.600     0.700 peak   881 spectrum    1 weight  0.11000E+01 volume  0.10566E-03 ppm1      7.639 ppm2      4.456 CV     1
 ASSI {  882}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      5.200     3.400     0.800 peak   882 spectrum    1 weight  0.11000E+01 volume  0.51322E-04 ppm1      7.626 ppm2      4.663 CV     1
 ASSI {  883}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      5.900     4.300     0.100 peak   883 spectrum    1 weight  0.11000E+01 volume  0.11271E-03 ppm1      7.624 ppm2      4.999 CV     1
 ASSI {  884}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      5.900     4.300     0.100 peak   884 spectrum    1 weight  0.11000E+01 volume  0.59226E-04 ppm1      7.629 ppm2      8.096 CV     1
 ASSI {  885}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      6.000     4.800     0.000 peak   885 spectrum    1 weight  0.11000E+01 volume  0.79143E-04 ppm1      8.405 ppm2      7.198 CV     1
 ASSI {  886}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      5.600     3.900     0.400 peak   886 spectrum    1 weight  0.11000E+01 volume  0.53040E-04 ppm1      8.404 ppm2      8.619 CV     1
 ASSI {  887}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.400     2.400     1.600 peak   887 spectrum    1 weight  0.11000E+01 volume  0.14213E-03 ppm1      7.980 ppm2      9.074 CV     1
 ASSI {  888}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.800     4.200     0.200 peak   888 spectrum    1 weight  0.11000E+01 volume  0.59080E-04 ppm1      7.978 ppm2      1.555 CV     1
 ASSI {  890}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 65   and name HG2 ))
      4.800     2.900     1.200 peak   890 spectrum    1 weight  0.11000E+01 volume  0.12973E-03 ppm1      9.473 ppm2      2.830 CV     1
 ASSI {  891}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HB1 ))
      6.000     4.800     0.000 peak   891 spectrum    1 weight  0.11000E+01 volume  0.11579E-03 ppm1      9.474 ppm2      2.616 CV     1
 ASSI {  892}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      5.800     4.200     0.200 peak   892 spectrum    1 weight  0.11000E+01 volume  0.15536E-03 ppm1      9.471 ppm2      4.074 CV     1
 ASSI {  893}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      5.300     3.500     0.700 peak   893 spectrum    1 weight  0.11000E+01 volume  0.12521E-03 ppm1      9.477 ppm2      0.814 CV     1
 ASSI {  894}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HB  ))
      4.600     2.600     1.400 peak   894 spectrum    1 weight  0.11000E+01 volume  0.14159E-03 ppm1      7.707 ppm2      1.772 CV     1
 ASSI {  895}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      5.300     3.600     0.700 peak   895 spectrum    1 weight  0.11000E+01 volume  0.56134E-04 ppm1      7.725 ppm2      3.525 CV     1
 ASSI {  897}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HN  ))
      4.100     2.100     1.900 peak   897 spectrum    1 weight  0.11000E+01 volume  0.10641E-03 ppm1      7.727 ppm2      8.377 CV     1
 ASSI {  900}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HB1 ))
      4.600     2.700     1.400 peak   900 spectrum    1 weight  0.11000E+01 volume  0.84545E-04 ppm1      9.084 ppm2      3.776 CV     1
 ASSI {  902}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.11000E+01 volume  0.24695E-04 ppm1      9.093 ppm2      3.529 CV     1
 ASSI {  903}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      3.900     1.900     1.900 peak   903 spectrum    1 weight  0.11000E+01 volume  0.44929E-03 ppm1      9.719 ppm2      0.839 CV     1
 ASSI {  904}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      4.600     2.700     1.400 peak   904 spectrum    1 weight  0.11000E+01 volume  0.16565E-03 ppm1      9.708 ppm2      4.989 CV     1
 ASSI {  905}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HN  ))
      4.900     3.100     1.100 peak   905 spectrum    1 weight  0.11000E+01 volume  0.18208E-03 ppm1      9.712 ppm2      7.588 CV     1
 ASSI {  906}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 77   and name HN  ))
      6.000     4.800     0.000 peak   906 spectrum    1 weight  0.11000E+01 volume  0.68343E-04 ppm1      9.708 ppm2      9.165 CV     1
 ASSI {  907}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      6.000     4.600     0.000 peak   907 spectrum    1 weight  0.11000E+01 volume  0.53631E-04 ppm1      8.068 ppm2      4.185 CV     1
 ASSI {  908}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      5.400     3.700     0.600 peak   908 spectrum    1 weight  0.11000E+01 volume  0.43614E-04 ppm1      8.072 ppm2      4.347 CV     1
 ASSI {  909}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 68   and name HB% )
      3.100     3.100     2.900 peak   909 spectrum    1 weight  0.11000E+01 volume  0.27950E-03 ppm1      8.069 ppm2      1.303 CV     1
 ASSI {  910}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      6.000     4.400     0.000 peak   910 spectrum    1 weight  0.11000E+01 volume  0.75380E-04 ppm1      9.102 ppm2      9.331 CV     1
 ASSI {  911}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      6.000     5.900     0.000 peak   911 spectrum    1 weight  0.11000E+01 volume  0.46527E-04 ppm1      9.091 ppm2      4.134 CV     1
 ASSI {  912}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HG1 ))
      5.000     3.100     1.000 peak   912 spectrum    1 weight  0.11000E+01 volume  0.25734E-03 ppm1      9.100 ppm2      2.696 CV     1
 ASSI {  914}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      5.200     3.400     0.800 peak   914 spectrum    1 weight  0.11000E+01 volume  0.47574E-04 ppm1      8.616 ppm2      4.452 CV     1
 ASSI {  915}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   915 spectrum    1 weight  0.11000E+01 volume  0.74951E-03 ppm1      8.601 ppm2      8.915 CV     1
 ASSI {  916}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      4.200     2.200     1.800 peak   916 spectrum    1 weight  0.11000E+01 volume  0.31532E-03 ppm1      8.373 ppm2      4.648 CV     1
 ASSI {  917}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HG2 ))
      4.500     2.600     1.500 peak   917 spectrum    1 weight  0.11000E+01 volume  0.22802E-03 ppm1      8.377 ppm2      2.508 CV     1
 ASSI {  918}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      5.100     3.200     0.900 peak   918 spectrum    1 weight  0.11000E+01 volume  0.17616E-03 ppm1      8.202 ppm2      2.363 CV     1
 ASSI {  919}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.300     3.500     0.700 peak   919 spectrum    1 weight  0.11000E+01 volume  0.81827E-04 ppm1      8.201 ppm2      1.530 CV     1
 ASSI {  920}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak   920 spectrum    1 weight  0.11000E+01 volume  0.24953E-03 ppm1      8.203 ppm2      4.273 CV     1
 ASSI {  921}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 79   and name HA2 ))
      5.300     3.400     0.700 peak   921 spectrum    1 weight  0.11000E+01 volume  0.13130E-03 ppm1      8.601 ppm2      3.548 CV     1
 ASSI {  923}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   923 spectrum    1 weight  0.11000E+01 volume  0.60927E-03 ppm1      8.604 ppm2      2.379 CV     1
 ASSI {  924}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HB1 ))
      3.600     1.600     1.600 peak   924 spectrum    1 weight  0.11000E+01 volume  0.75785E-03 ppm1      8.598 ppm2      2.279 CV     1
 ASSI {  926}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 79   and name HA1 ))
      3.300     1.400     1.400 peak   926 spectrum    1 weight  0.11000E+01 volume  0.71337E-03 ppm1      8.602 ppm2      3.902 CV     1
 ASSI {  927}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      6.000     4.600     0.000 peak   927 spectrum    1 weight  0.11000E+01 volume  0.77915E-04 ppm1      8.618 ppm2      5.139 CV     1
 ASSI {  930}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 65   and name HB1 ))
      6.000     5.000     0.000 peak   930 spectrum    1 weight  0.11000E+01 volume  0.74153E-04 ppm1      7.806 ppm2      2.492 CV     1
 ASSI {  931}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 62   and name HG1 ))
      3.300     1.400     1.400 peak   931 spectrum    1 weight  0.11000E+01 volume  0.17798E-03 ppm1      7.812 ppm2      1.413 CV     1
 ASSI {  933}
   (( segid "A   " and resid 81   and name HN  ))
   (  segid "A   " and resid 76   and name HD1%)
      5.300     3.500     0.700 peak   933 spectrum    1 weight  0.11000E+01 volume  0.78047E-04 ppm1      8.932 ppm2      0.958 CV     1
 ASSI {  934}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HB1 ))
      4.500     2.500     1.500 peak   934 spectrum    1 weight  0.11000E+01 volume  0.48262E-03 ppm1      8.737 ppm2      3.984 CV     1
 ASSI {  935}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      4.200     4.200     1.800 peak   935 spectrum    1 weight  0.11000E+01 volume  0.43140E-04 ppm1      8.735 ppm2      0.852 CV     1
 ASSI {  936}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   936 spectrum    1 weight  0.11000E+01 volume  0.66107E-03 ppm1      8.001 ppm2      1.885 CV     1
 ASSI {  937}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      5.700     4.000     0.300 peak   937 spectrum    1 weight  0.11000E+01 volume  0.15094E-03 ppm1      7.060 ppm2      3.580 CV     1
 ASSI {  938}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      4.700     2.800     1.300 peak   938 spectrum    1 weight  0.11000E+01 volume  0.27164E-03 ppm1      7.062 ppm2      4.582 CV     1
 ASSI {  939}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.400     3.600     0.600 peak   939 spectrum    1 weight  0.11000E+01 volume  0.12029E-03 ppm1      7.052 ppm2      1.545 CV     1
 ASSI {  944}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HD2 ))
      5.000     3.100     1.000 peak   944 spectrum    1 weight  0.11000E+01 volume  0.17897E-03 ppm1      8.444 ppm2      1.556 CV     1
 ASSI {  945}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak   945 spectrum    1 weight  0.11000E+01 volume  0.19108E-03 ppm1      8.441 ppm2      4.280 CV     1
 ASSI {  946}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 61   and name HG12))
      5.100     3.200     0.900 peak   946 spectrum    1 weight  0.11000E+01 volume  0.63530E-04 ppm1      9.306 ppm2      1.853 CV     1
 ASSI {  947}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      6.000     5.200     0.000 peak   947 spectrum    1 weight  0.11000E+01 volume  0.67998E-04 ppm1      9.317 ppm2      7.946 CV     1
 ASSI {  948}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      5.000     3.100     1.000 peak   948 spectrum    1 weight  0.11000E+01 volume  0.87164E-04 ppm1      9.323 ppm2      8.192 CV     1
 ASSI {  949}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak   949 spectrum    1 weight  0.11000E+01 volume  0.83267E-04 ppm1      7.920 ppm2      2.554 CV     1
 ASSI {  950}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 52   and name HG1%)
      3.800     1.800     1.800 peak   950 spectrum    1 weight  0.11000E+01 volume  0.11964E-02 ppm1      7.915 ppm2      0.761 CV     1
 ASSI {  951}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      5.200     3.400     0.800 peak   951 spectrum    1 weight  0.11000E+01 volume  0.10752E-03 ppm1      7.928 ppm2      7.704 CV     1
 ASSI {  952}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB1 ))
      4.400     2.400     1.600 peak   952 spectrum    1 weight  0.11000E+01 volume  0.25495E-03 ppm1      8.208 ppm2      1.438 CV     1
 ASSI {  953}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HA2 ))
      6.000     5.000     0.000 peak   953 spectrum    1 weight  0.11000E+01 volume  0.46822E-04 ppm1      8.206 ppm2      3.858 CV     1
 ASSI {  956}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HG12))
      5.500     3.700     0.500 peak   956 spectrum    1 weight  0.11000E+01 volume  0.17022E-03 ppm1      7.831 ppm2      1.894 CV     1
 ASSI {  957}
   (( segid "A   " and resid 33   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      4.100     2.100     1.900 peak   957 spectrum    1 weight  0.11000E+01 volume  0.38675E-03 ppm1      7.828 ppm2      0.764 CV     1
 OR {  957}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HG11))
 ASSI {  958}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 34   and name HN  ))
      5.200     3.400     0.800 peak   958 spectrum    1 weight  0.11000E+01 volume  0.16158E-03 ppm1      7.828 ppm2      8.111 CV     1
 ASSI {  959}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 79   and name HA1 ))
      6.000     5.000     0.000 peak   959 spectrum    1 weight  0.11000E+01 volume  0.12469E-03 ppm1      8.760 ppm2      3.921 CV     1
 ASSI {  961}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      5.300     3.500     0.700 peak   961 spectrum    1 weight  0.11000E+01 volume  0.31686E-03 ppm1      8.729 ppm2      4.040 CV     1
 ASSI {  962}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 31   and name HN  ))
      4.600     2.600     1.400 peak   962 spectrum    1 weight  0.11000E+01 volume  0.15886E-03 ppm1      8.430 ppm2      7.756 CV     1
 ASSI {  963}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 44   and name HG1 ))
      3.300     1.400     1.400 peak   963 spectrum    1 weight  0.11000E+01 volume  0.59426E-03 ppm1      8.724 ppm2      2.482 CV     1
 ASSI {  964}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 81   and name HD% )
      5.400     3.600     0.600 peak   964 spectrum    1 weight  0.11000E+01 volume  0.13940E-03 ppm1      8.371 ppm2      7.035 CV     1
 ASSI {  965}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
      4.100     2.100     1.900 peak   965 spectrum    1 weight  0.11000E+01 volume  0.21378E-03 ppm1      8.128 ppm2      1.404 CV     1
 ASSI {  966}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HD2 ))
      5.400     3.600     0.600 peak   966 spectrum    1 weight  0.11000E+01 volume  0.14886E-03 ppm1      8.130 ppm2      1.526 CV     1
 ASSI {  967}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak   967 spectrum    1 weight  0.11000E+01 volume  0.23113E-03 ppm1      8.143 ppm2      4.374 CV     1
 ASSI {  968}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      5.500     3.800     0.500 peak   968 spectrum    1 weight  0.11000E+01 volume  0.71207E-04 ppm1      7.839 ppm2      3.580 CV     1
 ASSI {  969}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HD2 ))
      4.600     2.600     1.400 peak   969 spectrum    1 weight  0.11000E+01 volume  0.82908E-04 ppm1      7.832 ppm2      1.572 CV     1
 ASSI {  970}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HG1 ))
      3.900     1.900     1.900 peak   970 spectrum    1 weight  0.11000E+01 volume  0.20720E-03 ppm1      7.834 ppm2      1.382 CV     1
 OR {  970}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
 ASSI {  971}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
      4.200     2.200     1.800 peak   971 spectrum    1 weight  0.11000E+01 volume  0.42728E-03 ppm1      7.841 ppm2      1.321 CV     1
 OR {  971}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HD1 ))
 ASSI {  972}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak   972 spectrum    1 weight  0.11000E+01 volume  0.60880E-04 ppm1      7.831 ppm2      7.064 CV     1
 ASSI {  973}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 84   and name HA  ))
      5.100     3.300     0.900 peak   973 spectrum    1 weight  0.11000E+01 volume  0.77115E-04 ppm1      7.862 ppm2      4.223 CV     1
 ASSI {  974}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 83   and name HN  ))
      3.400     1.500     1.500 peak   974 spectrum    1 weight  0.11000E+01 volume  0.41134E-03 ppm1      7.858 ppm2      7.696 CV     1
 ASSI {  975}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      4.200     2.300     1.800 peak   975 spectrum    1 weight  0.11000E+01 volume  0.43628E-03 ppm1      8.391 ppm2      4.450 CV     1
 ASSI {  976}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      5.700     4.100     0.300 peak   976 spectrum    1 weight  0.11000E+01 volume  0.19773E-03 ppm1      8.384 ppm2      2.672 CV     1
 ASSI {  977}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.11000E+01 volume  0.63301E-04 ppm1      8.398 ppm2      7.630 CV     1
 ASSI {  980}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 31   and name HE% )
      2.700     2.700     3.300 peak   980 spectrum    1 weight  0.11000E+01 volume  0.67357E-03 ppm1      7.477 ppm2      2.023 CV     1
 ASSI {  981}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      6.000     5.600     0.000 peak   981 spectrum    1 weight  0.11000E+01 volume  0.58555E-04 ppm1      7.481 ppm2      4.454 CV     1
 ASSI {  982}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HB1 ))
      4.000     2.000     2.000 peak   982 spectrum    1 weight  0.11000E+01 volume  0.32989E-03 ppm1      8.575 ppm2      3.970 CV     1
 ASSI {  983}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HB2 ))
      4.100     2.100     1.900 peak   983 spectrum    1 weight  0.11000E+01 volume  0.25224E-03 ppm1      8.584 ppm2      4.189 CV     1
 ASSI {  984}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
      5.600     4.000     0.400 peak   984 spectrum    1 weight  0.11000E+01 volume  0.16125E-03 ppm1      8.568 ppm2      2.080 CV     1
 ASSI {  985}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HB1 ))
      4.200     2.200     1.800 peak   985 spectrum    1 weight  0.11000E+01 volume  0.34036E-03 ppm1      8.603 ppm2      1.695 CV     1
 ASSI {  986}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HB2 ))
      4.500     2.500     1.500 peak   986 spectrum    1 weight  0.11000E+01 volume  0.24619E-03 ppm1      8.591 ppm2      1.501 CV     1
 ASSI {  987}
   (( segid "A   " and resid 18   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      4.400     2.400     1.600 peak   987 spectrum    1 weight  0.11000E+01 volume  0.39851E-03 ppm1      8.581 ppm2      0.789 CV     1
 ASSI {  988}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      6.000     5.200     0.000 peak   988 spectrum    1 weight  0.11000E+01 volume  0.67540E-04 ppm1      8.582 ppm2      8.013 CV     1
 ASSI {  989}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   989 spectrum    1 weight  0.11000E+01 volume  0.10757E-02 ppm1      8.590 ppm2      4.459 CV     1
 ASSI {  990}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      4.500     2.600     1.500 peak   990 spectrum    1 weight  0.11000E+01 volume  0.15577E-03 ppm1      8.245 ppm2      4.367 CV     1
 ASSI {  991}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      5.000     3.100     1.000 peak   991 spectrum    1 weight  0.11000E+01 volume  0.12215E-03 ppm1      8.242 ppm2      4.090 CV     1
 ASSI {  994}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      5.700     4.100     0.300 peak   994 spectrum    1 weight  0.11000E+01 volume  0.87818E-04 ppm1      8.101 ppm2      4.990 CV     1
 ASSI {  995}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.800     1.900     1.900 peak   995 spectrum    1 weight  0.11000E+01 volume  0.73857E-04 ppm1      8.094 ppm2      3.603 CV     1
 ASSI {  996}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 35   and name HB2 ))
      6.000     5.100     0.000 peak   996 spectrum    1 weight  0.11000E+01 volume  0.65446E-04 ppm1      8.097 ppm2      3.083 CV     1
 ASSI {  997}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 35   and name HB1 ))
      6.000     6.000     0.000 peak   997 spectrum    1 weight  0.11000E+01 volume  0.64775E-04 ppm1      8.098 ppm2      2.661 CV     1
 ASSI {  998}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.11000E+01 volume  0.39473E-03 ppm1      8.100 ppm2      2.093 CV     1
 ASSI {  999}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      6.000     6.000     0.000 peak   999 spectrum    1 weight  0.11000E+01 volume  0.65790E-04 ppm1      8.099 ppm2      0.927 CV     1
 ASSI { 1001}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 36   and name HB2 ))
      3.700     1.700     1.700 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.96100E-04 ppm1     11.080 ppm2      3.057 CV     1
 ASSI { 1002}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      5.600     3.900     0.400 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.44104E-04 ppm1     11.086 ppm2      2.547 CV     1
 ASSI { 1003}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      5.300     3.400     0.700 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.28560E-03 ppm1     11.084 ppm2      1.175 CV     1
 ASSI { 1004}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 62   and name HD2 ))
      3.700     1.700     1.700 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.96197E-04 ppm1      8.370 ppm2      1.568 CV     1
 ASSI { 1005}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
      3.900     3.900     2.100 peak  1005 spectrum    1 weight  0.11000E+01 volume  0.64021E-04 ppm1      8.378 ppm2      7.303 CV     1
 ASSI { 1006}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 69   and name HN  ))
      5.700     4.100     0.300 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.68523E-04 ppm1      8.369 ppm2      8.055 CV     1
 ASSI { 1007}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  1007 spectrum    1 weight  0.11000E+01 volume  0.76747E-03 ppm1      8.067 ppm2      3.999 CV     1
 ASSI { 1010}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 70   and name HB  ))
      6.000     5.300     0.000 peak  1010 spectrum    1 weight  0.11000E+01 volume  0.53384E-04 ppm1      8.074 ppm2      2.032 CV     1
 ASSI { 1011}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      4.900     3.000     1.100 peak  1011 spectrum    1 weight  0.11000E+01 volume  0.12633E-03 ppm1     10.748 ppm2      3.013 CV     1
 ASSI { 1013}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      4.600     2.600     1.400 peak  1013 spectrum    1 weight  0.11000E+01 volume  0.29187E-03 ppm1     10.744 ppm2      1.946 CV     1
 ASSI { 1014}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      6.000     6.000     0.000 peak  1014 spectrum    1 weight  0.11000E+01 volume  0.89470E-04 ppm1     10.757 ppm2      1.088 CV     1
 ASSI { 1015}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 45   and name HB1 ))
      4.900     3.000     1.100 peak  1015 spectrum    1 weight  0.11000E+01 volume  0.20051E-03 ppm1      8.406 ppm2      1.400 CV     1
 ASSI { 1017}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      5.200     5.200     0.800 peak  1017 spectrum    1 weight  0.11000E+01 volume  0.19156E-03 ppm1      8.408 ppm2      0.823 CV     1
 ASSI { 1018}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      5.300     3.500     0.700 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.62925E-04 ppm1      7.940 ppm2      8.206 CV     1
 ASSI { 1019}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      6.000     6.000     0.000 peak  1019 spectrum    1 weight  0.11000E+01 volume  0.87359E-04 ppm1      7.933 ppm2      6.977 CV     1
 ASSI { 1020}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  1020 spectrum    1 weight  0.11000E+01 volume  0.69792E-03 ppm1      8.160 ppm2     -1.426 CV     1
 ASSI { 1023}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      3.300     3.300     2.700 peak  1023 spectrum    1 weight  0.11000E+01 volume  0.19390E-03 ppm1      8.155 ppm2      7.509 CV     1
 ASSI { 1024}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      6.000     4.700     0.000 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.48753E-04 ppm1      7.868 ppm2      4.764 CV     1
 ASSI { 1025}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 75   and name HN  ))
      6.000     6.000     0.000 peak  1025 spectrum    1 weight  0.11000E+01 volume  0.73252E-04 ppm1      7.866 ppm2      7.627 CV     1
 ASSI { 1026}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1026 spectrum    1 weight  0.11000E+01 volume  0.40368E-03 ppm1      7.873 ppm2     10.749 CV     1
 ASSI { 1027}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 70   and name HG2%)
      3.600     3.600     2.400 peak  1027 spectrum    1 weight  0.11000E+01 volume  0.10500E-03 ppm1      7.864 ppm2      1.017 CV     1
 ASSI { 1028}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      5.700     4.000     0.300 peak  1028 spectrum    1 weight  0.11000E+01 volume  0.67574E-04 ppm1      8.851 ppm2      3.010 CV     1
 ASSI { 1029}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HD2 ))
      3.700     1.700     1.700 peak  1029 spectrum    1 weight  0.11000E+01 volume  0.94299E-04 ppm1      8.860 ppm2      1.769 CV     1
 ASSI { 1030}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HG1 ))
      3.800     1.800     1.800 peak  1030 spectrum    1 weight  0.11000E+01 volume  0.83120E-04 ppm1      8.867 ppm2      1.439 CV     1
 ASSI { 1031}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 70   and name HN  ))
      6.000     5.500     0.000 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.46610E-04 ppm1      8.873 ppm2      8.054 CV     1
 ASSI { 1032}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      5.900     4.400     0.100 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.52125E-04 ppm1      8.614 ppm2      5.000 CV     1
 ASSI { 1033}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      2.100     0.600     0.600 peak  1033 spectrum    1 weight  0.11000E+01 volume  0.36762E-02 ppm1      8.612 ppm2     -1.419 CV     1
 ASSI { 1034}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 52   and name HB  ))
      5.300     3.600     0.700 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.86754E-04 ppm1      7.974 ppm2      2.039 CV     1
 ASSI { 1035}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.800     1.800     1.800 peak  1035 spectrum    1 weight  0.11000E+01 volume  0.74170E-04 ppm1      8.785 ppm2      4.068 CV     1
 ASSI { 1036}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 61   and name HD1%)
      3.100     3.100     2.900 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.28824E-03 ppm1      8.780 ppm2      0.652 CV     1
 ASSI { 1037}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      3.900     3.900     2.100 peak  1037 spectrum    1 weight  0.11000E+01 volume  0.66952E-04 ppm1      8.787 ppm2      0.911 CV     1
 ASSI { 1039}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      4.600     2.700     1.400 peak  1039 spectrum    1 weight  0.11000E+01 volume  0.12147E-03 ppm1      8.785 ppm2      8.417 CV     1
 ASSI { 1040}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 52   and name HG1%)
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.11000E+01 volume  0.23172E-03 ppm1      7.353 ppm2      0.788 CV     1
 ASSI { 1043}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      4.600     2.600     1.400 peak  1043 spectrum    1 weight  0.11000E+01 volume  0.14046E-03 ppm1      7.351 ppm2      4.092 CV     1
 ASSI { 1044}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      6.000     5.400     0.000 peak  1044 spectrum    1 weight  0.11000E+01 volume  0.69799E-04 ppm1      7.697 ppm2      3.538 CV     1
 ASSI { 1046}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 52   and name HG1%)
      5.100     3.300     0.900 peak  1046 spectrum    1 weight  0.11000E+01 volume  0.13860E-03 ppm1      7.701 ppm2      0.767 CV     1
 ASSI { 1047}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak  1047 spectrum    1 weight  0.11000E+01 volume  0.67164E-04 ppm1      7.736 ppm2      5.335 CV     1
 ASSI { 1048}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 35   and name HB1 ))
      6.000     4.600     0.000 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.41454E-04 ppm1      7.739 ppm2      2.640 CV     1
 ASSI { 1049}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      6.000     4.700     0.000 peak  1049 spectrum    1 weight  0.11000E+01 volume  0.81075E-04 ppm1      9.156 ppm2      2.026 CV     1
 ASSI { 1050}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.48916E-03 ppm1      9.159 ppm2      2.272 CV     1
 ASSI { 1051}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 80   and name HG1 ))
      4.700     2.800     1.300 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.15451E-03 ppm1      9.160 ppm2      2.383 CV     1
 ASSI { 1052}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      3.200     3.200     2.800 peak  1052 spectrum    1 weight  0.11000E+01 volume  0.23357E-03 ppm1      7.582 ppm2      3.893 CV     1
 ASSI { 1053}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      5.900     4.300     0.100 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.39277E-04 ppm1      7.582 ppm2      3.014 CV     1
 ASSI { 1054}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HB  ))
      4.800     2.800     1.200 peak  1054 spectrum    1 weight  0.11000E+01 volume  0.11284E-03 ppm1      8.243 ppm2      2.059 CV     1
 ASSI { 1057}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 56   and name HG  ))
      5.900     4.400     0.100 peak  1057 spectrum    1 weight  0.11000E+01 volume  0.76966E-04 ppm1      9.086 ppm2      1.701 CV     1
 ASSI { 1058}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 71   and name HB2 ))
      6.000     6.000     0.000 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.39194E-04 ppm1      8.075 ppm2      3.110 CV     1
 ASSI { 1059}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.49702E-04 ppm1      9.097 ppm2      4.237 CV     1
 ASSI { 1061}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.11000E+01 volume  0.40268E-03 ppm1      8.203 ppm2      3.870 CV     1
 ASSI { 1062}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      4.700     2.700     1.300 peak  1062 spectrum    1 weight  0.11000E+01 volume  0.22846E-04 ppm1      8.200 ppm2      2.816 CV     1
 ASSI { 1063}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HB1 ))
      3.900     1.900     1.900 peak  1063 spectrum    1 weight  0.11000E+01 volume  0.30163E-03 ppm1      8.202 ppm2      2.538 CV     1
 ASSI { 1064}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HG12))
      2.300     0.700     0.700 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.35768E-02 ppm1      8.198 ppm2      1.844 CV     1
 ASSI { 1065}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.11000E+01 volume  0.73482E-04 ppm1      9.718 ppm2      8.781 CV     1
 ASSI { 1066}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      4.900     3.000     1.100 peak  1066 spectrum    1 weight  0.11000E+01 volume  0.11327E-03 ppm1      9.706 ppm2      6.966 CV     1
 ASSI { 1068}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak  1068 spectrum    1 weight  0.11000E+01 volume  0.25161E-03 ppm1      9.726 ppm2      1.272 CV     1
 ASSI { 1069}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
      6.000     6.000     0.000 peak  1069 spectrum    1 weight  0.11000E+01 volume  0.32699E-04 ppm1      9.081 ppm2      1.347 CV     1
 ASSI { 1070}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      4.600     2.600     1.400 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.25285E-04 ppm1      9.081 ppm2      0.976 CV     1
 ASSI { 1073}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
      6.000     6.000     0.000 peak  1073 spectrum    1 weight  0.11000E+01 volume  0.37411E-04 ppm1      8.613 ppm2      7.315 CV     1
 ASSI { 1075}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HG1 ))
      5.400     3.600     0.600 peak  1075 spectrum    1 weight  0.11000E+01 volume  0.91024E-04 ppm1      8.620 ppm2      2.497 CV     1
 ASSI { 1076}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      4.000     2.000     2.000 peak  1076 spectrum    1 weight  0.11000E+01 volume  0.55004E-04 ppm1      8.377 ppm2      3.311 CV     1
 ASSI { 1077}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 15   and name HG2 ))
      6.000     4.700     0.000 peak  1077 spectrum    1 weight  0.11000E+01 volume  0.58833E-04 ppm1      8.378 ppm2      2.357 CV     1
 ASSI { 1078}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak  1078 spectrum    1 weight  0.11000E+01 volume  0.44482E-04 ppm1      8.375 ppm2      1.791 CV     1
 ASSI { 1079}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.84577E-04 ppm1      7.951 ppm2      3.769 CV     1
 ASSI { 1080}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      6.000     5.700     0.000 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.52288E-04 ppm1      7.948 ppm2      3.541 CV     1
 ASSI { 1081}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      5.100     3.200     0.900 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.17452E-03 ppm1      7.945 ppm2      2.263 CV     1
 ASSI { 1082}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HG2 ))
      5.400     3.600     0.600 peak  1082 spectrum    1 weight  0.11000E+01 volume  0.14367E-03 ppm1      7.944 ppm2      2.326 CV     1
 ASSI { 1083}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 61   and name HD1%)
      6.000     5.400     0.000 peak  1083 spectrum    1 weight  0.11000E+01 volume  0.68996E-04 ppm1      7.056 ppm2      0.654 CV     1
 ASSI { 1084}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak  1084 spectrum    1 weight  0.11000E+01 volume  0.70651E-04 ppm1      8.439 ppm2      8.776 CV     1
 ASSI { 1086}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 61   and name HD1%)
      3.200     3.200     2.800 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.23036E-03 ppm1      8.443 ppm2      0.670 CV     1
 ASSI { 1089}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      6.000     6.000     0.000 peak  1089 spectrum    1 weight  0.11000E+01 volume  0.10834E-04 ppm1      8.182 ppm2      4.085 CV     1
 ASSI { 1090}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      5.600     3.900     0.400 peak  1090 spectrum    1 weight  0.11000E+01 volume  0.91778E-04 ppm1      8.203 ppm2      2.135 CV     1
 ASSI { 1091}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 28   and name HD2%)
      5.200     3.400     0.800 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.79013E-04 ppm1      8.187 ppm2      0.939 CV     1
 ASSI { 1093}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      6.000     5.700     0.000 peak  1093 spectrum    1 weight  0.11000E+01 volume  0.22290E-04 ppm1      9.310 ppm2      3.868 CV     1
 ASSI { 1095}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 76   and name HD1%)
      5.400     3.600     0.600 peak  1095 spectrum    1 weight  0.11000E+01 volume  0.11994E-03 ppm1      8.777 ppm2      0.945 CV     1
 ASSI { 1096}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      6.000     4.900     0.000 peak  1096 spectrum    1 weight  0.11000E+01 volume  0.69587E-04 ppm1     10.751 ppm2      4.878 CV     1
 ASSI { 1097}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak  1097 spectrum    1 weight  0.11000E+01 volume  0.67420E-03 ppm1     10.739 ppm2      3.987 CV     1
 ASSI { 1104}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.57571E-03 ppm1      8.717 ppm2      8.632 CV     1
 ASSI { 1108}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      5.800     4.200     0.200 peak  1108 spectrum    1 weight  0.11000E+01 volume  0.66510E-04 ppm1      8.766 ppm2      8.921 CV     1
 ASSI { 1109}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      6.000     5.700     0.000 peak  1109 spectrum    1 weight  0.11000E+01 volume  0.13721E-03 ppm1      8.738 ppm2      0.083 CV     1
 ASSI { 1110}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HG12))
      5.100     3.300     0.900 peak  1110 spectrum    1 weight  0.11000E+01 volume  0.19233E-03 ppm1      8.728 ppm2      0.301 CV     1
 ASSI { 1111}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      4.600     2.700     1.400 peak  1111 spectrum    1 weight  0.11000E+01 volume  0.62728E-03 ppm1      8.737 ppm2      0.930 CV     1
 ASSI { 1112}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 75   and name HG2%)
      5.100     3.300     0.900 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.11348E-03 ppm1      8.742 ppm2      1.070 CV     1
 ASSI { 1114}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      6.000     4.600     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.97244E-04 ppm1      8.404 ppm2      0.914 CV     1
 ASSI { 1116}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      5.800     4.200     0.200 peak  1116 spectrum    1 weight  0.11000E+01 volume  0.39194E-04 ppm1      8.617 ppm2      8.113 CV     1
 ASSI { 1119}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
      6.000     6.000     0.000 peak  1119 spectrum    1 weight  0.11000E+01 volume  0.77491E-04 ppm1      8.626 ppm2      3.116 CV     1
 ASSI { 1120}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.11000E+01 volume  0.92317E-04 ppm1      8.619 ppm2      1.481 CV     1
 ASSI { 1121}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 40   and name HG12))
      5.300     3.600     0.700 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.10474E-04 ppm1      8.618 ppm2      0.308 CV     1
 ASSI { 1122}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 46   and name HG2 ))
      6.000     5.600     0.000 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.26840E-04 ppm1      8.613 ppm2      1.182 CV     1
 ASSI { 1123}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      4.300     4.300     1.700 peak  1123 spectrum    1 weight  0.11000E+01 volume  0.37935E-04 ppm1      8.625 ppm2      1.253 CV     1
 ASSI { 1124}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      6.000     5.400     0.000 peak  1124 spectrum    1 weight  0.11000E+01 volume  0.35578E-04 ppm1      8.389 ppm2      3.573 CV     1
 ASSI { 1125}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 65   and name HG2 ))
      6.000     4.700     0.000 peak  1125 spectrum    1 weight  0.11000E+01 volume  0.10983E-03 ppm1      8.398 ppm2      2.791 CV     1
 ASSI { 1128}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      5.400     3.600     0.600 peak  1128 spectrum    1 weight  0.11000E+01 volume  0.81107E-04 ppm1      8.121 ppm2      1.990 CV     1
 ASSI { 1129}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      3.600     1.600     1.600 peak  1129 spectrum    1 weight  0.11000E+01 volume  0.82366E-03 ppm1      8.114 ppm2      2.671 CV     1
 ASSI { 1131}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak  1131 spectrum    1 weight  0.11000E+01 volume  0.28331E-03 ppm1      8.113 ppm2      4.082 CV     1
 ASSI { 1132}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      5.000     3.100     1.000 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.89977E-04 ppm1      8.136 ppm2      3.788 CV     1
 ASSI { 1135}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      5.900     4.300     0.100 peak  1135 spectrum    1 weight  0.11000E+01 volume  0.55414E-04 ppm1      8.780 ppm2      7.941 CV     1
 ASSI { 1136}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      6.000     5.900     0.000 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.52681E-04 ppm1      8.792 ppm2      4.141 CV     1
 ASSI { 1137}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 46   and name HG2 ))
      3.900     3.900     2.100 peak  1137 spectrum    1 weight  0.11000E+01 volume  0.66788E-04 ppm1      8.205 ppm2      1.162 CV     1
 ASSI { 1138}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      6.000     4.600     0.000 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.12719E-03 ppm1      8.216 ppm2      4.179 CV     1
 ASSI { 1139}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  1139 spectrum    1 weight  0.11000E+01 volume  0.97718E-04 ppm1      8.203 ppm2      2.693 CV     1
 ASSI { 1140}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.39180E-04 ppm1      7.576 ppm2      8.367 CV     1
 ASSI { 1141}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      4.900     3.000     1.100 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.10405E-03 ppm1      7.581 ppm2      8.784 CV     1
 ASSI { 1142}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      4.900     3.100     1.100 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.12831E-03 ppm1      7.571 ppm2      7.355 CV     1
 ASSI { 1143}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      3.800     1.800     1.800 peak  1143 spectrum    1 weight  0.11000E+01 volume  0.39065E-03 ppm1      7.574 ppm2      3.786 CV     1
 ASSI { 1144}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      6.000     5.300     0.000 peak  1144 spectrum    1 weight  0.11000E+01 volume  0.42911E-04 ppm1      7.577 ppm2      2.690 CV     1
 ASSI { 1145}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      4.900     4.900     1.100 peak  1145 spectrum    1 weight  0.11000E+01 volume  0.18411E-04 ppm1      7.578 ppm2      2.520 CV     1
 ASSI { 1146}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 52   and name HG2%)
      4.400     2.500     1.600 peak  1146 spectrum    1 weight  0.11000E+01 volume  0.45551E-03 ppm1      7.577 ppm2      0.942 CV     1
 ASSI { 1148}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak  1148 spectrum    1 weight  0.11000E+01 volume  0.15777E-02 ppm1      7.569 ppm2      4.302 CV     1
 ASSI { 1149}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      5.600     3.900     0.400 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.13657E-03 ppm1      7.946 ppm2      1.698 CV     1
 ASSI { 1151}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 30   and name HG2 ))
      5.600     3.900     0.400 peak  1151 spectrum    1 weight  0.11000E+01 volume  0.65495E-04 ppm1      7.962 ppm2      1.609 CV     1
 ASSI { 1152}
   (( segid "A   " and resid 27   and name HN  ))
   (  segid "A   " and resid 28   and name HD2%)
      6.000     6.000     0.000 peak  1152 spectrum    1 weight  0.11000E+01 volume  0.80895E-04 ppm1      7.951 ppm2      0.946 CV     1
 ASSI { 1154}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 31   and name HB1 ))
      5.500     5.500     0.500 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.95085E-04 ppm1      8.212 ppm2      2.266 CV     1
 ASSI { 1156}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      6.000     6.000     0.000 peak  1156 spectrum    1 weight  0.11000E+01 volume  0.44712E-04 ppm1      8.439 ppm2      0.098 CV     1
 ASSI { 1157}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      6.000     4.400     0.000 peak  1157 spectrum    1 weight  0.11000E+01 volume  0.91549E-04 ppm1      7.947 ppm2      4.280 CV     1
 OR { 1157}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
 ASSI { 1158}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 80   and name HB1 ))
      6.000     4.600     0.000 peak  1158 spectrum    1 weight  0.11000E+01 volume  0.33206E-04 ppm1      7.941 ppm2      2.256 CV     1
 ASSI { 1161}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      5.800     4.100     0.200 peak  1161 spectrum    1 weight  0.11000E+01 volume  0.49031E-04 ppm1      7.936 ppm2      7.492 CV     1
 ASSI { 1163}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      6.000     4.900     0.000 peak  1163 spectrum    1 weight  0.11000E+01 volume  0.47018E-04 ppm1      7.732 ppm2      8.736 CV     1
 ASSI { 1167}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      4.800     2.900     1.200 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.22584E-03 ppm1      7.731 ppm2      2.532 CV     1
 ASSI { 1171}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 29   and name HD% )
      6.000     6.000     0.000 peak  1171 spectrum    1 weight  0.11000E+01 volume  0.66705E-04 ppm1      7.760 ppm2      7.086 CV     1
 ASSI { 1175}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      6.000     5.700     0.000 peak  1175 spectrum    1 weight  0.11000E+01 volume  0.56986E-04 ppm1      7.752 ppm2      3.630 CV     1
 ASSI { 1176}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      5.100     3.200     0.900 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.30944E-03 ppm1      7.483 ppm2      0.095 CV     1
 ASSI { 1177}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      5.900     4.300     0.100 peak  1177 spectrum    1 weight  0.11000E+01 volume  0.35039E-04 ppm1      7.468 ppm2      4.156 CV     1
 ASSI { 1181}
   (( segid "A   " and resid 33   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      6.000     6.000     0.000 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.68589E-04 ppm1      7.837 ppm2      6.934 CV     1
 ASSI { 1184}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 40   and name HG11))
      5.700     4.100     0.300 peak  1184 spectrum    1 weight  0.11000E+01 volume  0.60390E-04 ppm1      7.842 ppm2      0.951 CV     1
 ASSI { 1186}
   (( segid "A   " and resid 33   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  1186 spectrum    1 weight  0.11000E+01 volume  0.17963E-03 ppm1      7.830 ppm2      0.077 CV     1
 ASSI { 1188}
   (( segid "A   " and resid 80   and name HN  ))
   (  segid "A   " and resid 81   and name HD% )
      6.000     6.000     0.000 peak  1188 spectrum    1 weight  0.11000E+01 volume  0.27625E-04 ppm1      8.603 ppm2      6.994 CV     1
 ASSI { 1191}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      5.000     3.100     1.000 peak  1191 spectrum    1 weight  0.11000E+01 volume  0.24714E-03 ppm1      9.102 ppm2      7.072 CV     1
 ASSI { 1192}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      6.000     6.000     0.000 peak  1192 spectrum    1 weight  0.11000E+01 volume  0.70209E-04 ppm1      9.482 ppm2      7.190 CV     1
 ASSI { 1193}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      3.100     1.200     1.200 peak  1193 spectrum    1 weight  0.11000E+01 volume  0.13444E-02 ppm1      8.438 ppm2      7.220 CV     1
 OR { 1193}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 42   and name HZ  ))
 ASSI { 1194}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      4.100     4.100     1.900 peak  1194 spectrum    1 weight  0.11000E+01 volume  0.53074E-04 ppm1      7.822 ppm2      7.188 CV     1
 OR { 1194}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 42   and name HZ  ))
 ASSI { 1196}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      6.000     6.000     0.000 peak  1196 spectrum    1 weight  0.11000E+01 volume  0.38116E-04 ppm1      9.712 ppm2      0.091 CV     1
 ASSI { 1197}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak  1197 spectrum    1 weight  0.11000E+01 volume  0.30920E-02 ppm1      7.740 ppm2     -1.436 CV     1
 ASSI { 1199}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      4.700     2.700     1.300 peak  1199 spectrum    1 weight  0.11000E+01 volume  0.50009E-03 ppm1      7.752 ppm2     -1.421 CV     1
 ASSI { 1200}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 42   and name HD% )
      5.100     5.100     0.900 peak  1200 spectrum    1 weight  0.11000E+01 volume  0.92188E-04 ppm1      8.363 ppm2      7.296 CV     1
 ASSI { 1201}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      6.000     6.000     0.000 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.40422E-04 ppm1      7.949 ppm2     10.747 CV     1
 ASSI { 1202}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 71   and name HN  ))
      5.500     3.800     0.500 peak  1202 spectrum    1 weight  0.11000E+01 volume  0.56493E-04 ppm1      9.147 ppm2      7.902 CV     1
 ASSI { 1206}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HD2 ))
      5.400     3.700     0.600 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.10227E-03 ppm1      7.922 ppm2      1.720 CV     1
 ASSI { 1207}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak  1207 spectrum    1 weight  0.11000E+01 volume  0.84724E-04 ppm1      7.925 ppm2      8.147 CV     1
 ASSI { 1208}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      5.500     5.500     0.500 peak  1208 spectrum    1 weight  0.11000E+01 volume  0.12718E-03 ppm1      8.354 ppm2      0.934 CV     1
 ASSI { 1209}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 63   and name HB2 ))
      4.100     2.100     1.900 peak  1209 spectrum    1 weight  0.11000E+01 volume  0.50144E-04 ppm1      8.343 ppm2      2.860 CV     1
 ASSI { 1210}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 62   and name HD2 ))
      3.600     3.600     2.400 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.10480E-03 ppm1      8.356 ppm2      1.600 CV     1
 ASSI { 1211}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 45   and name HB1 ))
      6.000     6.000     0.000 peak  1211 spectrum    1 weight  0.11000E+01 volume  0.13944E-04 ppm1      8.349 ppm2      1.382 CV     1
 ASSI { 1213}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 18   and name HB1 ))
      5.100     3.300     0.900 peak  1213 spectrum    1 weight  0.11000E+01 volume  0.95985E-04 ppm1      8.518 ppm2      4.005 CV     1
 ASSI { 1214}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      5.700     4.100     0.300 peak  1214 spectrum    1 weight  0.11000E+01 volume  0.27806E-04 ppm1      8.142 ppm2      4.641 CV     1
 ASSI { 1217}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      2.800     2.800     3.200 peak  1217 spectrum    1 weight  0.11000E+01 volume  0.54982E-03 ppm1      8.380 ppm2      2.021 CV     1
 ASSI { 1218}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HG2 ))
      3.900     1.900     1.900 peak  1218 spectrum    1 weight  0.11000E+01 volume  0.73367E-04 ppm1      8.860 ppm2      1.347 CV     1
 ASSI { 1219}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 45   and name HG  ))
      3.900     1.900     1.900 peak  1219 spectrum    1 weight  0.11000E+01 volume  0.69045E-04 ppm1      8.802 ppm2      1.506 CV     1
 ASSI { 1220}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      5.100     3.200     0.900 peak  1220 spectrum    1 weight  0.11000E+01 volume  0.13665E-04 ppm1      7.710 ppm2      1.970 CV     1
 ASSI { 1223}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  1223 spectrum    1 weight  0.11000E+01 volume  0.14512E-02 ppm1      8.239 ppm2      8.539 CV     1
 ASSI { 1224}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 78   and name HE% )
      3.700     3.700     2.300 peak  1224 spectrum    1 weight  0.11000E+01 volume  0.76949E-03 ppm1      8.240 ppm2      6.423 CV     1
 ASSI { 1225}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 78   and name HB2 ))
      3.500     3.500     2.500 peak  1225 spectrum    1 weight  0.11000E+01 volume  0.12501E-02 ppm1      8.238 ppm2      2.530 CV     1
 ASSI { 1226}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 78   and name HB1 ))
      4.200     2.200     1.800 peak  1226 spectrum    1 weight  0.11000E+01 volume  0.28692E-03 ppm1      8.240 ppm2      2.263 CV     1
 ASSI { 1228}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HA2 ))
      3.000     1.100     1.100 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.26520E-02 ppm1      8.237 ppm2      3.719 CV     1
 ASSI { 1229}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HA1 ))
      2.200     0.600     0.600 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.48189E-02 ppm1      8.239 ppm2      3.970 CV     1
 ASSI { 1230}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 62   and name HD1 ))
      2.900     2.900     3.100 peak  1230 spectrum    1 weight  0.11000E+01 volume  0.38579E-03 ppm1      8.376 ppm2      1.312 CV     1
 OR { 1230}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 62   and name HG2 ))
 ASSI { 1231}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      5.800     4.200     0.200 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.82008E-04 ppm1      8.369 ppm2      5.336 CV     1
 ASSI { 1232}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.700     3.700     2.300 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.91222E-04 ppm1      8.385 ppm2      4.131 CV     1
 ASSI { 1235}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 76   and name HG11))
      6.000     4.800     0.000 peak  1235 spectrum    1 weight  0.11000E+01 volume  0.58377E-04 ppm1      8.386 ppm2      1.057 CV     1
 ASSI { 1238}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.11000E+01 volume  0.73023E-04 ppm1      9.714 ppm2      8.696 CV     1
 ASSI { 1240}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      6.000     6.000     0.000 peak  1240 spectrum    1 weight  0.11000E+01 volume  0.21239E-03 ppm1      9.721 ppm2      0.760 CV     1
 ASSI { 1244}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
      6.000     6.000     0.000 peak  1244 spectrum    1 weight  0.11000E+01 volume  0.10883E-04 ppm1      9.474 ppm2      2.359 CV     1
 ASSI { 1245}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      6.000     6.000     0.000 peak  1245 spectrum    1 weight  0.11000E+01 volume  0.53008E-04 ppm1      9.477 ppm2      3.865 CV     1
 ASSI { 1248}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak  1248 spectrum    1 weight  0.11000E+01 volume  0.62908E-04 ppm1      9.732 ppm2      9.441 CV     1
 ASSI { 1249}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      6.000     5.600     0.000 peak  1249 spectrum    1 weight  0.11000E+01 volume  0.17888E-04 ppm1      9.728 ppm2      8.757 CV     1
 ASSI { 1250}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      6.000     4.800     0.000 peak  1250 spectrum    1 weight  0.11000E+01 volume  0.43565E-04 ppm1      8.382 ppm2      8.915 CV     1
 ASSI { 1253}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      6.000     4.800     0.000 peak  1253 spectrum    1 weight  0.11000E+01 volume  0.64709E-04 ppm1      7.934 ppm2      4.331 CV     1
 ASSI { 1257}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB1 ))
      6.000     5.000     0.000 peak  1257 spectrum    1 weight  0.11000E+01 volume  0.10850E-04 ppm1      7.486 ppm2      2.331 CV     1
 ASSI { 1260}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      6.000     6.000     0.000 peak  1260 spectrum    1 weight  0.11000E+01 volume  0.10949E-04 ppm1     11.074 ppm2      4.984 CV     1
 ASSI { 1265}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 38   and name HA1 ))
      6.000     6.000     0.000 peak  1265 spectrum    1 weight  0.11000E+01 volume  0.57459E-04 ppm1      8.159 ppm2      3.714 CV     1
 ASSI { 1270}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.600     0.900     0.900 peak  1270 spectrum    1 weight  0.11000E+01 volume  0.28965E-02 ppm1      9.094 ppm2      2.148 CV     1
 OR { 1270}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB1 ))
 ASSI { 1271}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.700     4.100     0.300 peak  1271 spectrum    1 weight  0.11000E+01 volume  0.59048E-04 ppm1      9.102 ppm2      1.529 CV     1
 ASSI { 1273}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      6.000     5.500     0.000 peak  1273 spectrum    1 weight  0.11000E+01 volume  0.36905E-04 ppm1      9.100 ppm2      8.225 CV     1
 ASSI { 1276}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak  1276 spectrum    1 weight  0.11000E+01 volume  0.14281E-02 ppm1      8.437 ppm2      1.019 CV     1
 ASSI { 1277}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 68   and name HB% )
      2.600     0.800     0.800 peak  1277 spectrum    1 weight  0.11000E+01 volume  0.52352E-02 ppm1      8.068 ppm2      1.308 CV     1
 ASSI { 1278}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 29   and name HE% )
      4.100     4.100     1.900 peak  1278 spectrum    1 weight  0.11000E+01 volume  0.48621E-04 ppm1      8.378 ppm2      6.941 CV     1
 ASSI { 1279}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HD1 ))
      5.700     4.100     0.300 peak  1279 spectrum    1 weight  0.11000E+01 volume  0.11636E-03 ppm1      7.916 ppm2      3.182 CV     1
 ASSI { 1280}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 42   and name HE% )
      6.000     6.000     0.000 peak  1280 spectrum    1 weight  0.11000E+01 volume  0.75526E-04 ppm1      8.775 ppm2      7.259 CV     1
 OR { 1280}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 42   and name HZ  ))
 ASSI { 1281}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 64   and name HB2 ))
      5.800     4.100     0.200 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.61878E-04 ppm1      7.058 ppm2      1.665 CV     1
 ASSI { 1282}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 62   and name HG1 ))
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.11000E+01 volume  0.12807E-02 ppm1      8.201 ppm2      1.388 CV     1
 ASSI { 1283}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HB1 ))
      3.800     1.800     1.800 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.13292E-03 ppm1      8.370 ppm2      3.383 CV     1
 ASSI { 1284}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HB2 ))
      6.000     5.800     0.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.39948E-04 ppm1      8.374 ppm2      3.292 CV     1
 ASSI { 1288}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.16438E-02 ppm1      8.741 ppm2      4.119 CV     1
 ASSI { 1289}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 17   and name HB1 ))
      4.200     2.200     1.800 peak  1289 spectrum    1 weight  0.11000E+01 volume  0.45971E-04 ppm1      8.735 ppm2      1.741 CV     1
 ASSI { 1292}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
      2.900     2.900     3.100 peak  1292 spectrum    1 weight  0.11000E+01 volume  0.36239E-02 ppm1      7.912 ppm2      1.460 CV     1
 ASSI { 1295}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      5.500     3.800     0.500 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.18475E-03 ppm1      8.925 ppm2      3.496 CV     1
 ASSI { 1296}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1296 spectrum    1 weight  0.11000E+01 volume  0.50783E-04 ppm1      8.930 ppm2      5.162 CV     1
 ASSI { 1298}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 78   and name HN  ))
      6.000     4.600     0.000 peak  1298 spectrum    1 weight  0.11000E+01 volume  0.62549E-04 ppm1      9.161 ppm2      8.777 CV     1
 ASSI { 1300}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      5.100     3.200     0.900 peak  1300 spectrum    1 weight  0.11000E+01 volume  0.56593E-04 ppm1      9.139 ppm2      8.931 CV     1
 ASSI { 1304}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      5.000     3.100     1.000 peak  1304 spectrum    1 weight  0.11000E+01 volume  0.68931E-04 ppm1      7.696 ppm2      4.158 CV     1
 ASSI { 1307}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 81   and name HN  ))
      5.700     4.000     0.300 peak  1307 spectrum    1 weight  0.11000E+01 volume  0.47115E-04 ppm1      7.724 ppm2      8.900 CV     1
 ASSI { 1314}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 6    and name HD1%)
      2.200     2.200     3.800 peak  1314 spectrum    1 weight  0.11000E+01 volume  0.20650E-02 ppm1      8.516 ppm2      0.837 CV     1
 ASSI { 1315}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.43047E-03 ppm1      8.512 ppm2      1.396 CV     1
 ASSI { 1316}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      5.600     4.000     0.400 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.63335E-04 ppm1      8.503 ppm2      3.348 CV     1
 ASSI { 1317}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak  1317 spectrum    1 weight  0.11000E+01 volume  0.28819E-02 ppm1      8.330 ppm2      3.179 CV     1
 ASSI { 1318}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
      2.900     2.900     3.100 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.43787E-03 ppm1      8.330 ppm2      2.721 CV     1
! CSI restraints, converted by ARIA
! Phi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -135  30 2



! Psi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 135  30 2

! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /solid1/aalim/structure/ntcld/ntcld_pred_man.tab
!
! settings: min phiError=25.0, min psiError=25.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -96  36 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0  86  25 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -127  25 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  32 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -62  25 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -70  26 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -75  32 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -84  64 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -60  25 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -67  36 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -62  25 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -63  25 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -60  25 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -59  25 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -67  25 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -83  38 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -60  25 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -102  32 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -125  36 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -103  36 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -60  25 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -66  25 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -98  32 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0  66  28 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -82  32 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -92  34 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -58  25 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -62  25 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -62  25 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -63  25 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -62  25 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -68  25 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -89  36 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -86  40 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -58  25 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -87  44 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -96  34 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0  84  25 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -136  25 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -108  54 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -93  56 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -60  25 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -63  25 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -63  25 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -64  25 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -61  25 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -65  25 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -64  25 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0   3  28 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   1  25 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 146  30 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -39  25 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -31  28 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -28  25 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 140  38 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 140  54 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -33  25 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -40  25 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -39  25 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -36  26 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -42  25 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 -42  25 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -43  25 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -44  25 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 -38  25 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0  85  52 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -35  25 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0  -8  25 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 160  28 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 123  66 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -37  25 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -43  25 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  25 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -42  25 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -46  25 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -42  25 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -38  25 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -39  26 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -37  25 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0  -5  26 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0  23  25 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 137  42 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 153  54 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 -36  25 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 -43  25 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 -42  25 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 -44  25 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -40  25 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -43  25 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -38  25 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -44  25 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 -32  25 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 -22  40 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0 108  68 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 -34  25 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0  -5  46 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0  -6  25 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0   4  30 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 153  25 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 149  46 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 153  28 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -39  25 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -40  25 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -40  25 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -45  25 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -44  25 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -41  25 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -38  28 2

 assign (resid 1 and name c )(resid 2 and name n)   
 (resid 2 and name ca)(resid 2 and name c) 1 -105 70 2
 assign (resid 2 and name c )(resid 3 and name n)   
 (resid 3 and name ca)(resid 3 and name c) 1 -105 70 2
 assign (resid 4 and name c )(resid 5 and name n)   
 (resid 5 and name ca)(resid 5 and name c) 1 -105 70 2
 assign (resid 5 and name c )(resid 6 and name n)   
 (resid 6 and name ca)(resid 6 and name c) 1 -105 70 2
 assign (resid 6 and name c )(resid 7 and name n)   
 (resid 7 and name ca)(resid 7 and name c) 1 -105 70 2
 assign (resid 7 and name c )(resid 8 and name n)   
 (resid 8 and name ca)(resid 8 and name c) 1 -105 70 2
 assign (resid 8 and name c )(resid 9 and name n)   
 (resid 9 and name ca)(resid 9 and name c) 1 -105 70 2
 assign (resid 9 and name c )(resid 10 and name n) 
        (resid 10 and name ca)(resid 10 and name c) 1 -105 70 2
 assign (resid 10 and name c )(resid 11 and name n) 
        (resid 11 and name ca)(resid 11 and name c) 1 -105 70 2
 assign (resid 11 and name c )(resid 12 and name n)   
 (resid 12 and name ca)(resid 12 and name c) 1 -105 70 2
 assign (resid 12 and name c )(resid 13 and name n)   
 (resid 13 and name ca)(resid 13 and name c) 1 -105 70 2
 assign (resid 13 and name c )(resid 14 and name n)   
 (resid 14 and name ca)(resid 14 and name c) 1 -105 70 2
 assign (resid 14 and name c )(resid 15 and name n)   
 (resid 15 and name ca)(resid 15 and name c) 1 -105 70 2
 assign (resid 15 and name c )(resid 16 and name n)   
 (resid 16 and name ca)(resid 16 and name c) 1 -105 70 2
 assign (resid 16 and name c )(resid 17 and name n)   
 (resid 17 and name ca)(resid 17 and name c) 1 -105 70 2
 assign (resid 17 and name c )(resid 18 and name n)   
 (resid 18 and name ca)(resid 18 and name c) 1 -105 70 2
 assign (resid 18 and name c )(resid 19 and name n)   
 (resid 19 and name ca)(resid 19 and name c) 1 -105 70 2
 assign (resid 19 and name c )(resid 20 and name n)   
 (resid 20 and name ca)(resid 20 and name c) 1 -105 70 2
 assign (resid 20 and name c )(resid 21 and name n)   
 (resid 21 and name ca)(resid 21 and name c) 1 -105 70 2
 assign (resid 21 and name c )(resid 22 and name n)   
 (resid 22 and name ca)(resid 22 and name c) 1 -105 70 2
 assign (resid 24 and name c )(resid 25 and name n)   
        (resid 25 and name ca)(resid 25 and name c) 1 -105 70 2
 assign (resid 25 and name c )(resid 26 and name n)   
 (resid 26 and name ca)(resid 26 and name c) 1 -105 70 2
 assign (resid 26 and name c )(resid 27 and name n)   
 (resid 27 and name ca)(resid 27 and name c) 1 -105 70 2
 assign (resid 27 and name c )(resid 28 and name n)   
 (resid 28 and name ca)(resid 28 and name c) 1 -105 70 2
 assign (resid 28 and name c )(resid 29 and name n)   
 (resid 29 and name ca)(resid 29 and name c) 1 -105 70 2
 assign (resid 29 and name c )(resid 30 and name n)   
 (resid 30 and name ca)(resid 30 and name c) 1 -105 70 2
 assign (resid 30 and name c )(resid 31 and name n)   
 (resid 31 and name ca)(resid 31 and name c) 1 -105 70 2
 assign (resid 31 and name c )(resid 32 and name n)   
 (resid 32 and name ca)(resid 32 and name c) 1 -105 70 2
 assign (resid 41 and name c )(resid 42 and name n)
        (resid 42 and name ca)(resid 42 and name c) 1 -105 70 2
 assign (resid 42 and name c )(resid 43 and name n)   
 (resid 43 and name ca)(resid 43 and name c) 1 -105 70 2
 assign (resid 43 and name c )(resid 44 and name n)   
 (resid 44 and name ca)(resid 44 and name c) 1 -105 70 2
 assign (resid 44 and name c )(resid 45 and name n)   
 (resid 45 and name ca)(resid 45 and name c) 1 -105 70 2
 assign (resid 45 and name c )(resid 46 and name n)   
 (resid 46 and name ca)(resid 46 and name c) 1 -105 70 2
 assign (resid 46 and name c )(resid 47 and name n)   
 (resid 47 and name ca)(resid 47 and name c) 1 -105 70 2
 assign (resid 48 and name c )(resid 49 and name n)   
 (resid 49 and name ca)(resid 49 and name c) 1 -105 70 2
 assign (resid 49 and name c )(resid 50 and name n)   
 (resid 50 and name ca)(resid 50 and name c) 1 -105 70 2
 assign (resid 50 and name c )(resid 51 and name n)   
 (resid 51 and name ca)(resid 51 and name c) 1 -105 70 2
 assign (resid 51 and name c )(resid 52 and name n)   
 (resid 52 and name ca)(resid 52 and name c) 1 -105 70 2
 assign (resid 53 and name c )(resid 54 and name n)   
 (resid 54 and name ca)(resid 54 and name c) 1 -105 70 2
 assign (resid 54 and name c )(resid 55 and name n)   
 (resid 55 and name ca)(resid 55 and name c) 1 -105 70 2
 assign (resid 55 and name c )(resid 56 and name n)   
 (resid 56 and name ca)(resid 56 and name c) 1 -105 70 2
 assign (resid 56 and name c )(resid 57 and name n)   
 (resid 57 and name ca)(resid 57 and name c) 1 -105 70 2
 assign (resid 57 and name c )(resid 58 and name n)   
 (resid 58 and name ca)(resid 58 and name c) 1 -105 70 2
 assign (resid 58 and name c )(resid 59 and name n)   
 (resid 59 and name ca)(resid 59 and name c) 1 -105 70 2
 assign (resid 59 and name c )(resid 60 and name n)   
 (resid 60 and name ca)(resid 60 and name c) 1 -105 70 2
 assign (resid 60 and name c )(resid 61 and name n)   
        (resid 61 and name ca)(resid 61 and name c) 1 -105 70 2
 assign (resid 61 and name c )(resid 62 and name n)   
 (resid 62 and name ca)(resid 62 and name c) 1 -105 70 2
 assign (resid 62 and name c )(resid 63 and name n)   
 (resid 63 and name ca)(resid 63 and name c) 1 -105 70 2
 assign (resid 63 and name c )(resid 64 and name n)   
 (resid 64 and name ca)(resid 64 and name c) 1 -105 70 2
 assign (resid 64 and name c )(resid 65 and name n)   
 (resid 65 and name ca)(resid 65 and name c) 1 -105 70 2
 assign (resid 65 and name c )(resid 66 and name n)   
        (resid 66 and name ca)(resid 66 and name c) 1 -105 70 2
 assign (resid 66 and name c )(resid 67 and name n)   
 (resid 67 and name ca)(resid 67 and name c) 1 -105 70 2
 assign (resid 67 and name c )(resid 68 and name n)   
 (resid 68 and name ca)(resid 68 and name c) 1 -105 70 2
 assign (resid 77 and name c )(resid 78 and name n)   
 (resid 78 and name ca)(resid 78 and name c) 1 -105 70 2
 assign (resid 78 and name c )(resid 79 and name n)   
 (resid 79 and name ca)(resid 79 and name c) 1 -105 70 2
 assign (resid 80 and name c )(resid 81 and name n)   
 (resid 81 and name ca)(resid 81 and name c) 1 -105 70 2
 assign (resid 81 and name c )(resid 82 and name n)   
 (resid 82 and name ca)(resid 82 and name c) 1 -105 70 2
 assign (resid 82 and name c )(resid 83 and name n)   
 (resid 83 and name ca)(resid 83 and name c) 1 -105 70 2
 assign (resid 83 and name c )(resid 84 and name n)   
 (resid 84 and name ca)(resid 84 and name c) 1 -105 70 2
 assign (resid 84 and name c )(resid 85 and name n)   
 (resid 85 and name ca)(resid 85 and name c) 1 -105 70 2
! dihedral angle file generated by Csi2Aria.py

assign (resid 40 and name o)(resid 76 and name hn) 1.95 0.35 0.35
assign (resid 40 and name o)(resid 76 and name n) 2.9 0.4 0.4

assign (resid 76 and name o)(resid 40 and name hn) 1.95 0.35 0.35
assign (resid 76 and name o)(resid 40 and name n) 2.9 0.4 0.4



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1           HT1      HIS   1  21.762   9.192   5.402
    2   2H    HIS   1           HT2      HIS   1  21.390  10.819   5.126
    3   3H    HIS   1           HT3      HIS   1  21.732  10.286   6.694
    4    HA   HIS   1           HA       HIS   1  23.579  10.638   4.422
    5   1HB   HIS   1          HB2       HIS   1  23.603  11.550   7.310
    6   2HB   HIS   1          HB1       HIS   1  24.825  11.946   6.106
    7    HD1  HIS   1           HD1      HIS   1  21.027  12.278   6.271
    8    HD2  HIS   1           HD2      HIS   1  24.403  14.428   5.155
    9    HE1  HIS   1           HE1      HIS   1  20.172  14.503   5.472
   10    HE2  HIS   1           HE2      HIS   1  22.236  15.809   4.853
   11    H    SER   2           HN       SER   2  24.614   8.768   4.023
   12    HA   SER   2           HA       SER   2  26.331   7.678   6.046
   13   1HB   SER   2          HB2       SER   2  25.443   5.367   5.918
   14   2HB   SER   2          HB1       SER   2  24.278   6.488   6.623
   15    HG   SER   2           HG       SER   2  23.905   4.902   4.576
   16    H    SER   3           HN       SER   3  27.345   5.518   5.060
   17    HA   SER   3           HA       SER   3  27.624   5.682   2.169
   18   1HB   SER   3          HB2       SER   3  30.083   5.842   2.276
   19   2HB   SER   3          HB1       SER   3  29.314   7.265   2.979
   20    HG   SER   3           HG       SER   3  31.124   5.948   4.131
   21    H    GLY   4           HN       GLY   4  26.933   3.838   4.613
   22   1HA   GLY   4          HA2       GLY   4  28.727   1.603   4.034
   23   2HA   GLY   4          HA1       GLY   4  27.536   1.670   5.324
   24    H    HIS   5           HN       HIS   5  25.808   2.785   2.880
   25    HA   HIS   5           HA       HIS   5  25.084   0.115   1.864
   26   1HB   HIS   5          HB2       HIS   5  23.168   2.353   2.556
   27   2HB   HIS   5          HB1       HIS   5  22.729   0.773   1.913
   28    HD1  HIS   5           HD1      HIS   5  24.730   1.986   4.926
   29    HD2  HIS   5           HD2      HIS   5  21.847  -0.824   3.897
   30    HE1  HIS   5           HE1      HIS   5  24.193   0.764   7.057
   31    HE2  HIS   5           HE2      HIS   5  22.415  -0.905   6.420
   32    H    ILE   6           HN       ILE   6  25.244   3.574   1.276
   33    HA   ILE   6           HA       ILE   6  24.515   3.235  -1.525
   34    HB   ILE   6           HB       ILE   6  25.295   5.753  -0.044
   35   1HG1  ILE   6          HG12      ILE   6  22.547   4.718  -0.784
   36   2HG1  ILE   6          HG11      ILE   6  23.234   4.686   0.837
   37   1HG2  ILE   6          HG21      ILE   6  25.648   5.909  -2.450
   38   2HG2  ILE   6          HG22      ILE   6  24.287   6.914  -1.951
   39   3HG2  ILE   6          HG23      ILE   6  23.996   5.364  -2.739
   40   1HD1  ILE   6          HD11      ILE   6  23.049   6.971   1.097
   41   2HD1  ILE   6          HD12      ILE   6  21.594   6.566   0.185
   42   3HD1  ILE   6          HD13      ILE   6  22.986   7.268  -0.640
   43    H    ASP   7           HN       ASP   7  26.244   2.096  -2.392
   44    HA   ASP   7           HA       ASP   7  28.527   3.678  -3.106
   45   1HB   ASP   7          HB2       ASP   7  29.245   2.904  -0.885
   46   2HB   ASP   7          HB1       ASP   7  28.958   1.235  -1.370
   47    H    ASP   8           HN       ASP   8  28.126   0.165  -2.741
   48    HA   ASP   8           HA       ASP   8  28.542  -0.110  -5.630
   49   1HB   ASP   8          HB2       ASP   8  28.696  -2.187  -3.434
   50   2HB   ASP   8          HB1       ASP   8  29.037  -2.476  -5.137
   51    H    ASP   9           HN       ASP   9  27.174  -1.382  -6.909
   52    HA   ASP   9           HA       ASP   9  24.431  -1.162  -6.366
   53   1HB   ASP   9          HB2       ASP   9  25.846  -2.941  -8.363
   54   2HB   ASP   9          HB1       ASP   9  24.122  -2.580  -8.370
   55    H    ASP  10           HN       ASP  10  26.723  -3.487  -5.376
   56    HA   ASP  10           HA       ASP  10  25.168  -5.797  -5.161
   57   1HB   ASP  10          HB2       ASP  10  27.627  -5.727  -4.849
   58   2HB   ASP  10          HB1       ASP  10  27.389  -4.893  -3.317
   59    H    LYS  11           HN       LYS  11  25.492  -3.033  -3.038
   60    HA   LYS  11           HA       LYS  11  23.780  -4.191  -1.011
   61   1HB   LYS  11          HB2       LYS  11  24.954  -1.414  -1.256
   62   2HB   LYS  11          HB1       LYS  11  24.069  -2.017   0.138
   63   1HG   LYS  11          HG2       LYS  11  26.673  -3.123  -0.896
   64   2HG   LYS  11          HG1       LYS  11  26.483  -2.061   0.500
   65   1HD   LYS  11          HD2       LYS  11  25.275  -4.814   0.217
   66   2HD   LYS  11          HD1       LYS  11  26.723  -4.426   1.148
   67   1HE   LYS  11          HE2       LYS  11  23.955  -3.334   1.647
   68   2HE   LYS  11          HE1       LYS  11  24.745  -4.605   2.580
   69   1HZ   LYS  11          HZ1       LYS  11  25.745  -1.820   2.312
   70   2HZ   LYS  11          HZ2       LYS  11  26.427  -3.039   3.266
   71   3HZ   LYS  11          HZ3       LYS  11  24.899  -2.424   3.647
   72    H    HIS  12           HN       HIS  12  23.443  -2.334  -3.852
   73    HA   HIS  12           HA       HIS  12  20.978  -1.056  -3.135
   74   1HB   HIS  12          HB2       HIS  12  22.538  -1.335  -5.693
   75   2HB   HIS  12          HB1       HIS  12  20.965  -0.558  -5.640
   76    HD1  HIS  12           HD1      HIS  12  20.965   1.373  -3.521
   77    HD2  HIS  12           HD2      HIS  12  24.493   0.506  -5.537
   78    HE1  HIS  12           HE1      HIS  12  22.468   3.350  -3.125
   79    HE2  HIS  12           HE2      HIS  12  24.569   2.836  -4.419
   80    H    MET  13           HN       MET  13  21.909  -4.129  -4.318
   81    HA   MET  13           HA       MET  13  19.490  -4.747  -5.719
   82   1HB   MET  13          HB2       MET  13  21.651  -6.548  -4.610
   83   2HB   MET  13          HB1       MET  13  20.335  -7.086  -5.643
   84   1HG   MET  13          HG2       MET  13  21.140  -5.642  -7.433
   85   2HG   MET  13          HG1       MET  13  22.455  -5.088  -6.397
   86   1HE   MET  13          HE1       MET  13  24.716  -6.712  -8.489
   87   2HE   MET  13          HE2       MET  13  23.416  -5.530  -8.644
   88   3HE   MET  13          HE3       MET  13  23.312  -7.072  -9.494
   89    H    ALA  14           HN       ALA  14  20.535  -4.872  -2.419
   90    HA   ALA  14           HA       ALA  14  18.265  -6.537  -1.635
   91   1HB   ALA  14          HB1       ALA  14  19.651  -5.723   0.658
   92   2HB   ALA  14          HB2       ALA  14  20.883  -6.035  -0.565
   93   3HB   ALA  14          HB3       ALA  14  19.722  -7.294  -0.141
   94    H    GLU  15           HN       GLU  15  18.800  -3.342  -2.215
   95    HA   GLU  15           HA       GLU  15  16.734  -2.543  -0.274
   96   1HB   GLU  15          HB2       GLU  15  19.089  -0.897  -1.209
   97   2HB   GLU  15          HB1       GLU  15  17.793  -0.311  -0.177
   98   1HG   GLU  15          HG2       GLU  15  18.423  -1.950   1.531
   99   2HG   GLU  15          HG1       GLU  15  19.739  -2.506   0.498
  100    H    ARG  16           HN       ARG  16  16.577  -3.429  -3.107
  101    HA   ARG  16           HA       ARG  16  15.617  -0.965  -4.386
  102   1HB   ARG  16          HB2       ARG  16  15.620  -2.256  -6.478
  103   2HB   ARG  16          HB1       ARG  16  17.203  -2.249  -5.713
  104   1HG   ARG  16          HG2       ARG  16  16.864  -4.489  -4.891
  105   2HG   ARG  16          HG1       ARG  16  15.215  -4.502  -5.518
  106   1HD   ARG  16          HD2       ARG  16  16.743  -5.715  -6.991
  107   2HD   ARG  16          HD1       ARG  16  16.060  -4.300  -7.791
  108    HE   ARG  16           HE       ARG  16  18.514  -3.594  -6.627
  109   1HH1  ARG  16          HH11      ARG  16  17.240  -5.534  -9.226
  110   2HH1  ARG  16          HH12      ARG  16  18.657  -5.378 -10.210
  111   1HH2  ARG  16          HH21      ARG  16  20.384  -3.383  -7.916
  112   2HH2  ARG  16          HH22      ARG  16  20.444  -4.154  -9.465
  113    H    LEU  17           HN       LEU  17  14.498  -3.643  -2.698
  114    HA   LEU  17           HA       LEU  17  11.878  -3.585  -4.016
  115   1HB   LEU  17          HB2       LEU  17  11.373  -5.647  -2.920
  116   2HB   LEU  17          HB1       LEU  17  12.954  -5.795  -3.659
  117    HG   LEU  17           HG       LEU  17  12.530  -5.221  -0.724
  118   1HD1  LEU  17          HD11      LEU  17  11.821  -7.541  -1.908
  119   2HD1  LEU  17          HD12      LEU  17  12.434  -7.421  -0.259
  120   3HD1  LEU  17          HD13      LEU  17  13.524  -7.855  -1.576
  121   1HD2  LEU  17          HD21      LEU  17  14.881  -5.962  -0.556
  122   2HD2  LEU  17          HD22      LEU  17  14.694  -4.502  -1.527
  123   3HD2  LEU  17          HD23      LEU  17  14.953  -6.058  -2.315
  124    H    SER  18           HN       SER  18   9.960  -3.305  -2.813
  125    HA   SER  18           HA       SER  18  10.303  -1.540  -0.524
  126   1HB   SER  18          HB2       SER  18   7.877  -1.099  -0.806
  127   2HB   SER  18          HB1       SER  18   8.787  -0.808  -2.288
  128    HG   SER  18           HG       SER  18   6.913  -1.999  -2.728
  129    H    GLU  19           HN       GLU  19  10.508  -2.514   1.386
  130    HA   GLU  19           HA       GLU  19   9.266  -5.060   1.927
  131   1HB   GLU  19          HB2       GLU  19  11.506  -4.563   2.790
  132   2HB   GLU  19          HB1       GLU  19  10.857  -3.225   3.729
  133   1HG   GLU  19          HG2       GLU  19   9.518  -4.786   5.039
  134   2HG   GLU  19          HG1       GLU  19  10.156  -6.130   4.092
  135    H    GLU  20           HN       GLU  20   9.015  -1.778   3.310
  136    HA   GLU  20           HA       GLU  20   6.602  -2.573   4.717
  137   1HB   GLU  20          HB2       GLU  20   6.759  -0.078   5.488
  138   2HB   GLU  20          HB1       GLU  20   7.844  -1.286   6.153
  139   1HG   GLU  20          HG2       GLU  20   9.531  -0.557   4.434
  140   2HG   GLU  20          HG1       GLU  20   8.455   0.789   4.070
  141    H    GLU  21           HN       GLU  21   7.407   0.218   2.602
  142    HA   GLU  21           HA       GLU  21   5.257  -0.186   0.853
  143   1HB   GLU  21          HB2       GLU  21   3.621   1.375   1.528
  144   2HB   GLU  21          HB1       GLU  21   4.002   0.448   2.970
  145   1HG   GLU  21          HG2       GLU  21   5.011   3.207   2.312
  146   2HG   GLU  21          HG1       GLU  21   3.755   2.805   3.478
  147    H    ILE  22           HN       ILE  22   8.015   1.242   1.792
  148    HA   ILE  22           HA       ILE  22   8.157   3.786   0.816
  149    HB   ILE  22           HB       ILE  22   9.997   2.639   1.944
  150   1HG1  ILE  22          HG12      ILE  22  10.334   4.661   0.355
  151   2HG1  ILE  22          HG11      ILE  22  11.750   3.783   0.914
  152   1HG2  ILE  22          HG21      ILE  22  11.498   1.274   0.227
  153   2HG2  ILE  22          HG22      ILE  22   9.914   0.941  -0.474
  154   3HG2  ILE  22          HG23      ILE  22  10.241   0.517   1.206
  155   1HD1  ILE  22          HD11      ILE  22  11.344   4.475  -1.635
  156   2HD1  ILE  22          HD12      ILE  22  10.588   2.882  -1.642
  157   3HD1  ILE  22          HD13      ILE  22  12.273   3.056  -1.153
  158    H    GLY  23           HN       GLY  23   7.836   0.852  -1.049
  159   1HA   GLY  23          HA2       GLY  23   8.816   1.624  -3.522
  160   2HA   GLY  23          HA1       GLY  23   7.461   0.531  -3.295
  161    H    GLY  24           HN       GLY  24   5.345   1.760  -2.694
  162   1HA   GLY  24          HA2       GLY  24   5.014   3.819  -4.752
  163   2HA   GLY  24          HA1       GLY  24   3.723   2.902  -3.989
  164    H    LEU  25           HN       LEU  25   5.517   3.665  -1.465
  165    HA   LEU  25           HA       LEU  25   3.826   5.389  -0.218
  166   1HB   LEU  25          HB2       LEU  25   5.650   4.239   0.907
  167   2HB   LEU  25          HB1       LEU  25   6.824   5.246   0.081
  168    HG   LEU  25           HG       LEU  25   5.870   7.229   1.265
  169   1HD1  LEU  25          HD11      LEU  25   4.660   5.973   3.463
  170   2HD1  LEU  25          HD12      LEU  25   3.894   5.301   2.023
  171   3HD1  LEU  25          HD13      LEU  25   3.910   7.045   2.280
  172   1HD2  LEU  25          HD21      LEU  25   6.593   5.918   3.621
  173   2HD2  LEU  25          HD22      LEU  25   7.645   6.829   2.537
  174   3HD2  LEU  25          HD23      LEU  25   7.467   5.086   2.335
  175    H    LYS  26           HN       LYS  26   6.067   6.204  -2.718
  176    HA   LYS  26           HA       LYS  26   5.974   9.035  -2.086
  177   1HB   LYS  26          HB2       LYS  26   7.357   7.545  -4.315
  178   2HB   LYS  26          HB1       LYS  26   7.483   9.278  -4.040
  179   1HG   LYS  26          HG2       LYS  26   8.441   8.817  -1.809
  180   2HG   LYS  26          HG1       LYS  26   8.395   7.093  -2.179
  181   1HD   LYS  26          HD2       LYS  26   9.923   9.180  -3.734
  182   2HD   LYS  26          HD1       LYS  26  10.621   8.064  -2.560
  183   1HE   LYS  26          HE2       LYS  26   9.900   6.172  -3.946
  184   2HE   LYS  26          HE1       LYS  26   9.228   7.299  -5.123
  185   1HZ   LYS  26          HZ1       LYS  26  12.062   7.504  -4.355
  186   2HZ   LYS  26          HZ2       LYS  26  11.307   7.978  -5.793
  187   3HZ   LYS  26          HZ3       LYS  26  11.581   6.338  -5.484
  188    H    GLU  27           HN       GLU  27   5.401   7.242  -5.129
  189    HA   GLU  27           HA       GLU  27   3.731   9.410  -6.072
  190   1HB   GLU  27          HB2       GLU  27   5.398   8.351  -7.530
  191   2HB   GLU  27          HB1       GLU  27   4.524   6.829  -7.409
  192   1HG   GLU  27          HG2       GLU  27   2.592   7.846  -8.497
  193   2HG   GLU  27          HG1       GLU  27   3.460   9.375  -8.614
  194    H    LEU  28           HN       LEU  28   3.217   5.889  -6.244
  195    HA   LEU  28           HA       LEU  28   0.457   6.117  -6.684
  196   1HB   LEU  28          HB2       LEU  28   2.070   3.759  -5.736
  197   2HB   LEU  28          HB1       LEU  28   0.403   3.673  -6.274
  198    HG   LEU  28           HG       LEU  28   2.766   4.488  -7.971
  199   1HD1  LEU  28          HD11      LEU  28   2.610   2.072  -7.358
  200   2HD1  LEU  28          HD12      LEU  28   2.493   2.398  -9.087
  201   3HD1  LEU  28          HD13      LEU  28   1.040   2.028  -8.160
  202   1HD2  LEU  28          HD21      LEU  28   0.798   4.018  -9.724
  203   2HD2  LEU  28          HD22      LEU  28   1.133   5.618  -9.061
  204   3HD2  LEU  28          HD23      LEU  28  -0.159   4.632  -8.376
  205    H    PHE  29           HN       PHE  29   1.927   4.565  -3.837
  206    HA   PHE  29           HA       PHE  29  -0.199   4.158  -2.287
  207   1HB   PHE  29          HB2       PHE  29   2.252   3.763  -1.738
  208   2HB   PHE  29          HB1       PHE  29   2.264   5.397  -1.084
  209    HD1  PHE  29           HD1      PHE  29   2.666   4.906   1.180
  210    HD2  PHE  29           HD2      PHE  29  -0.544   3.011  -0.867
  211    HE1  PHE  29           HE1      PHE  29   1.813   4.046   3.317
  212    HE2  PHE  29           HE2      PHE  29  -1.404   2.150   1.264
  213    HZ   PHE  29           HZ       PHE  29  -0.226   2.666   3.366
  214    H    LYS  30           HN       LYS  30   1.462   7.327  -2.356
  215    HA   LYS  30           HA       LYS  30  -0.275   8.574  -0.523
  216   1HB   LYS  30          HB2       LYS  30   1.427   9.736  -2.728
  217   2HB   LYS  30          HB1       LYS  30   0.551  10.715  -1.560
  218   1HG   LYS  30          HG2       LYS  30   1.823   9.688   0.256
  219   2HG   LYS  30          HG1       LYS  30   2.704   8.710  -0.918
  220   1HD   LYS  30          HD2       LYS  30   4.040  10.626  -0.281
  221   2HD   LYS  30          HD1       LYS  30   3.546  10.779  -1.968
  222   1HE   LYS  30          HE2       LYS  30   3.332  12.904  -0.785
  223   2HE   LYS  30          HE1       LYS  30   1.760  12.307  -1.315
  224   1HZ   LYS  30          HZ1       LYS  30   2.827  11.920   1.426
  225   2HZ   LYS  30          HZ2       LYS  30   1.257  11.599   0.885
  226   3HZ   LYS  30          HZ3       LYS  30   1.805  13.196   0.988
  227    H    MET  31           HN       MET  31  -0.315   8.440  -4.059
  228    HA   MET  31           HA       MET  31  -2.579  10.076  -4.430
  229   1HB   MET  31          HB2       MET  31  -1.003   9.575  -6.232
  230   2HB   MET  31          HB1       MET  31  -1.469   7.881  -6.190
  231   1HG   MET  31          HG2       MET  31  -3.724   8.476  -6.896
  232   2HG   MET  31          HG1       MET  31  -3.271  10.179  -6.920
  233   1HE   MET  31          HE1       MET  31  -1.387  11.104  -8.230
  234   2HE   MET  31          HE2       MET  31  -0.966  10.591  -9.863
  235   3HE   MET  31          HE3       MET  31  -0.151   9.870  -8.475
  236    H    ILE  32           HN       ILE  32  -2.308   6.914  -3.200
  237    HA   ILE  32           HA       ILE  32  -5.014   6.159  -3.996
  238    HB   ILE  32           HB       ILE  32  -2.993   4.627  -2.351
  239   1HG1  ILE  32          HG12      ILE  32  -3.817   4.308  -5.248
  240   2HG1  ILE  32          HG11      ILE  32  -2.290   4.985  -4.694
  241   1HG2  ILE  32          HG21      ILE  32  -5.738   3.961  -3.360
  242   2HG2  ILE  32          HG22      ILE  32  -5.078   3.780  -1.734
  243   3HG2  ILE  32          HG23      ILE  32  -4.552   2.699  -3.024
  244   1HD1  ILE  32          HD11      ILE  32  -2.926   2.302  -3.678
  245   2HD1  ILE  32          HD12      ILE  32  -1.404   2.966  -4.272
  246   3HD1  ILE  32          HD13      ILE  32  -2.632   2.420  -5.413
  247    H    ASP  33           HN       ASP  33  -3.123   6.696  -1.053
  248    HA   ASP  33           HA       ASP  33  -5.250   6.341   0.760
  249   1HB   ASP  33          HB2       ASP  33  -2.839   6.284   1.382
  250   2HB   ASP  33          HB1       ASP  33  -2.755   8.021   1.113
  251    H    THR  34           HN       THR  34  -7.046   7.534   0.786
  252    HA   THR  34           HA       THR  34  -7.297  10.096  -0.357
  253    HB   THR  34           HB       THR  34  -9.028   8.798   1.766
  254    HG1  THR  34           HG1      THR  34  -9.709   8.840  -0.937
  255   1HG2  THR  34          HG21      THR  34 -10.842  10.143   0.643
  256   2HG2  THR  34          HG22      THR  34  -9.552  11.087  -0.100
  257   3HG2  THR  34          HG23      THR  34  -9.713  11.043   1.655
  258    H    ASP  35           HN       ASP  35  -5.809   9.073   2.437
  259    HA   ASP  35           HA       ASP  35  -6.181  11.571   3.894
  260   1HB   ASP  35          HB2       ASP  35  -6.295   9.263   4.990
  261   2HB   ASP  35          HB1       ASP  35  -4.550   9.203   4.774
  262    H    ASN  36           HN       ASN  36  -3.873   9.882   1.929
  263    HA   ASN  36           HA       ASN  36  -1.773  10.399   1.225
  264   1HB   ASN  36          HB2       ASN  36  -2.591  13.219   1.969
  265   2HB   ASN  36          HB1       ASN  36  -1.262  12.774   0.903
  266   1HD2  ASN  36          HD21      ASN  36  -4.311  13.889   0.937
  267   2HD2  ASN  36          HD22      ASN  36  -4.852  13.349  -0.612
  268    H    SER  37           HN       SER  37  -2.428   9.987   4.188
  269    HA   SER  37           HA       SER  37  -0.248  11.427   5.480
  270   1HB   SER  37          HB2       SER  37  -1.031  10.311   7.542
  271   2HB   SER  37          HB1       SER  37  -2.348  11.146   6.719
  272    HG   SER  37           HG       SER  37  -1.957   8.450   7.157
  273    H    GLY  38           HN       GLY  38  -0.877   8.441   3.967
  274   1HA   GLY  38          HA2       GLY  38   1.073   7.130   3.289
  275   2HA   GLY  38          HA1       GLY  38   1.765   7.454   4.871
  276    H    THR  39           HN       THR  39  -1.551   6.816   4.979
  277    HA   THR  39           HA       THR  39  -1.284   3.936   5.213
  278    HB   THR  39           HB       THR  39  -2.283   3.918   7.497
  279    HG1  THR  39           HG1      THR  39  -2.121   5.896   8.685
  280   1HG2  THR  39          HG21      THR  39  -0.333   4.212   8.714
  281   2HG2  THR  39          HG22      THR  39   0.242   5.508   7.665
  282   3HG2  THR  39          HG23      THR  39   0.241   3.841   7.089
  283    H    ILE  40           HN       ILE  40  -3.110   2.964   4.516
  284    HA   ILE  40           HA       ILE  40  -5.462   4.685   4.125
  285    HB   ILE  40           HB       ILE  40  -4.632   2.123   2.754
  286   1HG1  ILE  40          HG12      ILE  40  -5.124   4.845   1.560
  287   2HG1  ILE  40          HG11      ILE  40  -3.534   4.337   2.129
  288   1HG2  ILE  40          HG21      ILE  40  -7.047   2.128   3.051
  289   2HG2  ILE  40          HG22      ILE  40  -6.628   2.384   1.357
  290   3HG2  ILE  40          HG23      ILE  40  -7.143   3.745   2.354
  291   1HD1  ILE  40          HD11      ILE  40  -4.964   3.652  -0.310
  292   2HD1  ILE  40          HD12      ILE  40  -4.265   2.261   0.518
  293   3HD1  ILE  40          HD13      ILE  40  -3.237   3.614   0.047
  294    H    THR  41           HN       THR  41  -7.449   4.118   4.913
  295    HA   THR  41           HA       THR  41  -7.640   1.598   6.421
  296    HB   THR  41           HB       THR  41  -8.959   2.774   8.143
  297    HG1  THR  41           HG1      THR  41  -9.639   4.518   6.787
  298   1HG2  THR  41          HG21      THR  41  -7.085   4.381   8.945
  299   2HG2  THR  41          HG22      THR  41  -6.166   3.664   7.622
  300   3HG2  THR  41          HG23      THR  41  -6.804   2.641   8.910
  301    H    PHE  42           HN       PHE  42  -9.616   0.566   6.312
  302    HA   PHE  42           HA       PHE  42 -11.129   0.486   4.146
  303   1HB   PHE  42          HB2       PHE  42 -11.398  -1.083   5.966
  304   2HB   PHE  42          HB1       PHE  42 -12.102   0.165   6.988
  305    HD1  PHE  42           HD1      PHE  42 -14.284  -0.404   7.398
  306    HD2  PHE  42           HD2      PHE  42 -12.749  -0.792   3.452
  307    HE1  PHE  42           HE1      PHE  42 -16.523  -1.003   6.590
  308    HE2  PHE  42           HE2      PHE  42 -14.981  -1.391   2.636
  309    HZ   PHE  42           HZ       PHE  42 -16.882  -1.499   4.201
  310    H    ASP  43           HN       ASP  43 -12.019   2.530   6.945
  311    HA   ASP  43           HA       ASP  43 -14.321   3.669   5.996
  312   1HB   ASP  43          HB2       ASP  43 -13.424   4.113   8.240
  313   2HB   ASP  43          HB1       ASP  43 -12.126   5.074   7.538
  314    H    GLU  44           HN       GLU  44 -11.008   4.545   5.238
  315    HA   GLU  44           HA       GLU  44 -11.812   6.684   3.455
  316   1HB   GLU  44          HB2       GLU  44  -9.053   5.537   3.913
  317   2HB   GLU  44          HB1       GLU  44  -9.446   7.081   3.170
  318   1HG   GLU  44          HG2       GLU  44 -10.352   7.866   5.300
  319   2HG   GLU  44          HG1       GLU  44  -9.932   6.325   6.042
  320    H    LEU  45           HN       LEU  45 -10.740   3.361   3.298
  321    HA   LEU  45           HA       LEU  45  -9.886   3.127   0.709
  322   1HB   LEU  45          HB2       LEU  45  -9.802   1.305   2.345
  323   2HB   LEU  45          HB1       LEU  45 -11.543   1.121   2.230
  324    HG   LEU  45           HG       LEU  45 -11.295   0.525  -0.165
  325   1HD1  LEU  45          HD11      LEU  45  -9.396   1.265  -1.102
  326   2HD1  LEU  45          HD12      LEU  45  -8.728  -0.256  -0.510
  327   3HD1  LEU  45          HD13      LEU  45  -8.505   1.226   0.419
  328   1HD2  LEU  45          HD21      LEU  45  -9.499  -1.425   1.047
  329   2HD2  LEU  45          HD22      LEU  45 -11.127  -1.627   0.400
  330   3HD2  LEU  45          HD23      LEU  45 -10.899  -1.040   2.047
  331    H    LYS  46           HN       LYS  46 -13.207   2.567   1.855
  332    HA   LYS  46           HA       LYS  46 -14.447   2.127  -0.556
  333   1HB   LYS  46          HB2       LYS  46 -16.525   2.898   0.538
  334   2HB   LYS  46          HB1       LYS  46 -15.599   1.794   1.545
  335   1HG   LYS  46          HG2       LYS  46 -14.757   3.658   2.854
  336   2HG   LYS  46          HG1       LYS  46 -15.619   4.794   1.817
  337   1HD   LYS  46          HD2       LYS  46 -16.866   4.429   3.865
  338   2HD   LYS  46          HD1       LYS  46 -17.751   3.760   2.493
  339   1HE   LYS  46          HE2       LYS  46 -17.821   2.243   4.396
  340   2HE   LYS  46          HE1       LYS  46 -16.934   1.525   3.053
  341   1HZ   LYS  46          HZ1       LYS  46 -15.149   2.940   4.712
  342   2HZ   LYS  46          HZ2       LYS  46 -15.176   1.287   4.353
  343   3HZ   LYS  46          HZ3       LYS  46 -16.064   1.881   5.664
  344    H    ASP  47           HN       ASP  47 -13.782   5.237   1.007
  345    HA   ASP  47           HA       ASP  47 -15.170   6.964  -0.607
  346   1HB   ASP  47          HB2       ASP  47 -12.411   7.369   0.563
  347   2HB   ASP  47          HB1       ASP  47 -13.451   8.654  -0.043
  348    H    GLY  48           HN       GLY  48 -12.586   4.949  -1.541
  349   1HA   GLY  48          HA2       GLY  48 -11.582   6.552  -3.693
  350   2HA   GLY  48          HA1       GLY  48 -11.271   4.840  -3.436
  351    H    LEU  49           HN       LEU  49 -13.516   3.560  -3.669
  352    HA   LEU  49           HA       LEU  49 -14.309   4.028  -6.424
  353   1HB   LEU  49          HB2       LEU  49 -14.883   1.776  -4.499
  354   2HB   LEU  49          HB1       LEU  49 -15.543   1.849  -6.120
  355    HG   LEU  49           HG       LEU  49 -13.647   0.364  -6.096
  356   1HD1  LEU  49          HD11      LEU  49 -12.290   1.355  -7.838
  357   2HD1  LEU  49          HD12      LEU  49 -12.890   2.961  -7.423
  358   3HD1  LEU  49          HD13      LEU  49 -13.990   1.754  -8.088
  359   1HD2  LEU  49          HD21      LEU  49 -11.483   2.162  -5.651
  360   2HD2  LEU  49          HD22      LEU  49 -11.893   0.685  -4.780
  361   3HD2  LEU  49          HD23      LEU  49 -12.573   2.229  -4.267
  362    H    LYS  50           HN       LYS  50 -15.413   4.806  -3.344
  363    HA   LYS  50           HA       LYS  50 -18.218   4.676  -3.774
  364   1HB   LYS  50          HB2       LYS  50 -17.327   4.735  -1.514
  365   2HB   LYS  50          HB1       LYS  50 -16.603   6.309  -1.811
  366   1HG   LYS  50          HG2       LYS  50 -18.621   6.527  -0.491
  367   2HG   LYS  50          HG1       LYS  50 -18.831   7.285  -2.071
  368   1HD   LYS  50          HD2       LYS  50 -20.009   5.266  -2.854
  369   2HD   LYS  50          HD1       LYS  50 -19.840   4.562  -1.244
  370   1HE   LYS  50          HE2       LYS  50 -21.320   7.101  -1.928
  371   2HE   LYS  50          HE1       LYS  50 -22.055   5.542  -1.557
  372   1HZ   LYS  50          HZ1       LYS  50 -21.937   6.001   0.592
  373   2HZ   LYS  50          HZ2       LYS  50 -21.353   7.545   0.225
  374   3HZ   LYS  50          HZ3       LYS  50 -20.270   6.276   0.503
  375    H    ARG  51           HN       ARG  51 -15.918   7.388  -3.761
  376    HA   ARG  51           HA       ARG  51 -17.729   9.361  -4.584
  377   1HB   ARG  51          HB2       ARG  51 -15.490   9.823  -3.630
  378   2HB   ARG  51          HB1       ARG  51 -14.753   9.233  -5.113
  379   1HG   ARG  51          HG2       ARG  51 -15.771  11.034  -6.373
  380   2HG   ARG  51          HG1       ARG  51 -16.600  11.603  -4.923
  381   1HD   ARG  51          HD2       ARG  51 -13.612  11.475  -5.315
  382   2HD   ARG  51          HD1       ARG  51 -14.601  12.932  -5.397
  383    HE   ARG  51           HE       ARG  51 -15.023  11.690  -2.919
  384   1HH1  ARG  51          HH11      ARG  51 -12.530  13.393  -4.661
  385   2HH1  ARG  51          HH12      ARG  51 -11.771  14.006  -3.230
  386   1HH2  ARG  51          HH21      ARG  51 -14.029  12.492  -1.032
  387   2HH2  ARG  51          HH22      ARG  51 -12.620  13.490  -1.168
  388    H    VAL  52           HN       VAL  52 -16.341   6.766  -6.301
  389    HA   VAL  52           HA       VAL  52 -16.350   7.882  -8.918
  390    HB   VAL  52           HB       VAL  52 -16.546   4.984  -8.079
  391   1HG1  VAL  52          HG11      VAL  52 -15.282   5.618 -10.632
  392   2HG1  VAL  52          HG12      VAL  52 -16.998   6.019 -10.572
  393   3HG1  VAL  52          HG13      VAL  52 -16.464   4.374 -10.227
  394   1HG2  VAL  52          HG21      VAL  52 -14.251   4.867  -8.024
  395   2HG2  VAL  52          HG22      VAL  52 -14.520   6.487  -7.381
  396   3HG2  VAL  52          HG23      VAL  52 -14.045   6.274  -9.067
  397    H    GLY  53           HN       GLY  53 -18.746   6.320  -6.907
  398   1HA   GLY  53          HA2       GLY  53 -20.961   5.789  -7.258
  399   2HA   GLY  53          HA1       GLY  53 -20.987   7.362  -8.035
  400    H    SER  54           HN       SER  54 -19.515   4.256  -9.004
  401    HA   SER  54           HA       SER  54 -20.697   4.603 -11.647
  402   1HB   SER  54          HB2       SER  54 -18.315   4.003 -11.497
  403   2HB   SER  54          HB1       SER  54 -18.741   2.521 -10.640
  404    HG   SER  54           HG       SER  54 -20.143   2.717 -12.930
  405    H    GLU  55           HN       GLU  55 -20.095   1.414 -10.399
  406    HA   GLU  55           HA       GLU  55 -22.912   0.905  -9.902
  407   1HB   GLU  55          HB2       GLU  55 -23.171  -0.819 -11.513
  408   2HB   GLU  55          HB1       GLU  55 -22.506   0.559 -12.373
  409   1HG   GLU  55          HG2       GLU  55 -20.949  -1.840 -11.431
  410   2HG   GLU  55          HG1       GLU  55 -21.499  -1.551 -13.078
  411    H    LEU  56           HN       LEU  56 -20.285   0.891  -8.481
  412    HA   LEU  56           HA       LEU  56 -19.919  -1.914  -7.809
  413   1HB   LEU  56          HB2       LEU  56 -18.496   0.600  -6.983
  414   2HB   LEU  56          HB1       LEU  56 -18.159  -0.956  -6.248
  415    HG   LEU  56           HG       LEU  56 -17.824  -0.299  -9.181
  416   1HD1  LEU  56          HD11      LEU  56 -15.888  -0.454  -6.893
  417   2HD1  LEU  56          HD12      LEU  56 -16.126   0.857  -8.049
  418   3HD1  LEU  56          HD13      LEU  56 -15.379  -0.654  -8.569
  419   1HD2  LEU  56          HD21      LEU  56 -17.609  -2.801  -7.596
  420   2HD2  LEU  56          HD22      LEU  56 -16.419  -2.524  -8.868
  421   3HD2  LEU  56          HD23      LEU  56 -18.138  -2.555  -9.260
  422    H    MET  57           HN       MET  57 -19.847  -2.612  -5.596
  423    HA   MET  57           HA       MET  57 -21.809  -1.202  -3.921
  424   1HB   MET  57          HB2       MET  57 -22.431  -3.408  -3.001
  425   2HB   MET  57          HB1       MET  57 -22.741  -3.291  -4.727
  426   1HG   MET  57          HG2       MET  57 -20.572  -4.479  -5.106
  427   2HG   MET  57          HG1       MET  57 -20.488  -4.741  -3.365
  428   1HE   MET  57          HE1       MET  57 -22.693  -5.278  -2.190
  429   2HE   MET  57          HE2       MET  57 -23.069  -6.992  -2.367
  430   3HE   MET  57          HE3       MET  57 -24.145  -5.778  -3.058
  431    H    GLU  58           HN       GLU  58 -21.107  -0.520  -2.039
  432    HA   GLU  58           HA       GLU  58 -18.469  -0.607  -1.206
  433   1HB   GLU  58          HB2       GLU  58 -20.934  -0.200   0.493
  434   2HB   GLU  58          HB1       GLU  58 -19.295   0.220   0.966
  435   1HG   GLU  58          HG2       GLU  58 -20.804   1.404  -1.354
  436   2HG   GLU  58          HG1       GLU  58 -20.576   2.163   0.220
  437    H    SER  59           HN       SER  59 -20.670  -3.123  -1.133
  438    HA   SER  59           HA       SER  59 -19.930  -4.404   1.293
  439   1HB   SER  59          HB2       SER  59 -21.143  -5.565  -1.226
  440   2HB   SER  59          HB1       SER  59 -21.042  -6.390   0.329
  441    HG   SER  59           HG       SER  59 -22.495  -4.996   1.176
  442    H    GLU  60           HN       GLU  60 -18.566  -4.272  -1.884
  443    HA   GLU  60           HA       GLU  60 -16.853  -6.560  -1.490
  444   1HB   GLU  60          HB2       GLU  60 -16.929  -4.465  -3.670
  445   2HB   GLU  60          HB1       GLU  60 -15.900  -5.886  -3.681
  446   1HG   GLU  60          HG2       GLU  60 -17.874  -7.323  -3.692
  447   2HG   GLU  60          HG1       GLU  60 -18.907  -5.894  -3.688
  448    H    ILE  61           HN       ILE  61 -16.810  -3.188  -0.881
  449    HA   ILE  61           HA       ILE  61 -14.017  -2.727  -0.933
  450    HB   ILE  61           HB       ILE  61 -16.069  -1.288   0.750
  451   1HG1  ILE  61          HG12      ILE  61 -16.769  -1.322  -1.596
  452   2HG1  ILE  61          HG11      ILE  61 -16.243   0.293  -1.134
  453   1HG2  ILE  61          HG21      ILE  61 -13.431  -1.037   0.963
  454   2HG2  ILE  61          HG22      ILE  61 -14.525   0.336   1.127
  455   3HG2  ILE  61          HG23      ILE  61 -13.688   0.052  -0.400
  456   1HD1  ILE  61          HD11      ILE  61 -14.329   0.175  -2.422
  457   2HD1  ILE  61          HD12      ILE  61 -15.514  -0.682  -3.408
  458   3HD1  ILE  61          HD13      ILE  61 -14.338  -1.588  -2.457
  459    H    LYS  62           HN       LYS  62 -16.185  -4.068   1.467
  460    HA   LYS  62           HA       LYS  62 -14.182  -3.943   3.555
  461   1HB   LYS  62          HB2       LYS  62 -15.850  -4.979   4.985
  462   2HB   LYS  62          HB1       LYS  62 -16.551  -3.623   4.119
  463   1HG   LYS  62          HG2       LYS  62 -18.213  -5.184   3.947
  464   2HG   LYS  62          HG1       LYS  62 -17.336  -5.450   2.441
  465   1HD   LYS  62          HD2       LYS  62 -17.779  -7.592   3.365
  466   2HD   LYS  62          HD1       LYS  62 -16.066  -7.271   3.629
  467   1HE   LYS  62          HE2       LYS  62 -18.231  -6.844   5.686
  468   2HE   LYS  62          HE1       LYS  62 -17.210  -8.277   5.590
  469   1HZ   LYS  62          HZ1       LYS  62 -15.335  -6.448   5.672
  470   2HZ   LYS  62          HZ2       LYS  62 -16.034  -7.065   7.083
  471   3HZ   LYS  62          HZ3       LYS  62 -16.543  -5.573   6.471
  472    H    ASP  63           HN       ASP  63 -15.564  -6.331   1.371
  473    HA   ASP  63           HA       ASP  63 -14.213  -8.558   2.567
  474   1HB   ASP  63          HB2       ASP  63 -15.518  -8.232  -0.145
  475   2HB   ASP  63          HB1       ASP  63 -14.858  -9.750   0.455
  476    H    LEU  64           HN       LEU  64 -13.426  -6.082   0.336
  477    HA   LEU  64           HA       LEU  64 -11.118  -7.465  -0.755
  478   1HB   LEU  64          HB2       LEU  64 -12.671  -5.781  -1.981
  479   2HB   LEU  64          HB1       LEU  64 -11.764  -4.551  -1.122
  480    HG   LEU  64           HG       LEU  64 -10.470  -6.583  -2.941
  481   1HD1  LEU  64          HD11      LEU  64 -10.821  -5.287  -4.741
  482   2HD1  LEU  64          HD12      LEU  64 -10.677  -3.789  -3.821
  483   3HD1  LEU  64          HD13      LEU  64 -12.195  -4.687  -3.812
  484   1HD2  LEU  64          HD21      LEU  64  -8.771  -4.578  -2.940
  485   2HD2  LEU  64          HD22      LEU  64  -8.754  -5.781  -1.651
  486   3HD2  LEU  64          HD23      LEU  64  -9.531  -4.220  -1.389
  487    H    MET  65           HN       MET  65 -11.890  -4.866   1.497
  488    HA   MET  65           HA       MET  65  -9.267  -3.989   2.013
  489   1HB   MET  65          HB2       MET  65 -11.244  -2.693   2.640
  490   2HB   MET  65          HB1       MET  65 -11.714  -3.938   3.788
  491   1HG   MET  65          HG2       MET  65 -10.692  -2.007   4.877
  492   2HG   MET  65          HG1       MET  65  -9.767  -3.486   5.138
  493   1HE   MET  65          HE1       MET  65  -8.722  -1.030   5.962
  494   2HE   MET  65          HE2       MET  65  -7.395  -0.321   5.041
  495   3HE   MET  65          HE3       MET  65  -7.233  -1.942   5.719
  496    H    ASP  66           HN       ASP  66 -11.302  -6.414   3.626
  497    HA   ASP  66           HA       ASP  66  -9.451  -7.051   5.664
  498   1HB   ASP  66          HB2       ASP  66 -11.850  -7.607   5.793
  499   2HB   ASP  66          HB1       ASP  66 -11.646  -8.772   4.489
  500    H    ALA  67           HN       ALA  67 -10.054  -8.462   2.470
  501    HA   ALA  67           HA       ALA  67  -8.172 -10.577   2.765
  502   1HB   ALA  67          HB1       ALA  67  -9.737 -11.048   1.147
  503   2HB   ALA  67          HB2       ALA  67  -8.372 -10.529   0.159
  504   3HB   ALA  67          HB3       ALA  67  -9.700  -9.416   0.482
  505    H    ALA  68           HN       ALA  68  -7.967  -7.266   1.671
  506    HA   ALA  68           HA       ALA  68  -5.438  -7.484   0.385
  507   1HB   ALA  68          HB1       ALA  68  -5.461  -5.098   0.286
  508   2HB   ALA  68          HB2       ALA  68  -6.660  -5.002   1.576
  509   3HB   ALA  68          HB3       ALA  68  -7.109  -5.661   0.003
  510    H    ASP  69           HN       ASP  69  -6.301  -5.872   3.456
  511    HA   ASP  69           HA       ASP  69  -3.535  -6.069   4.333
  512   1HB   ASP  69          HB2       ASP  69  -4.661  -3.958   4.722
  513   2HB   ASP  69          HB1       ASP  69  -5.952  -4.769   5.607
  514    H    ILE  70           HN       ILE  70  -3.096  -8.115   4.882
  515    HA   ILE  70           HA       ILE  70  -4.920  -9.712   6.451
  516    HB   ILE  70           HB       ILE  70  -3.543 -10.713   4.658
  517   1HG1  ILE  70          HG12      ILE  70  -2.929 -11.784   7.422
  518   2HG1  ILE  70          HG11      ILE  70  -4.402 -12.100   6.512
  519   1HG2  ILE  70          HG21      ILE  70  -1.541  -9.265   5.145
  520   2HG2  ILE  70          HG22      ILE  70  -1.198 -10.966   4.828
  521   3HG2  ILE  70          HG23      ILE  70  -1.183 -10.356   6.483
  522   1HD1  ILE  70          HD11      ILE  70  -3.214 -13.362   4.885
  523   2HD1  ILE  70          HD12      ILE  70  -2.719 -13.938   6.477
  524   3HD1  ILE  70          HD13      ILE  70  -1.659 -12.871   5.556
  525    H    ASP  71           HN       ASP  71  -2.449  -7.478   7.032
  526    HA   ASP  71           HA       ASP  71  -1.301  -8.530   9.385
  527   1HB   ASP  71          HB2       ASP  71  -0.340  -6.659   8.057
  528   2HB   ASP  71          HB1       ASP  71  -1.644  -5.622   8.625
  529    H    LYS  72           HN       LYS  72  -4.426  -7.634   8.803
  530    HA   LYS  72           HA       LYS  72  -6.218  -6.995  10.057
  531   1HB   LYS  72          HB2       LYS  72  -4.752  -8.700  12.071
  532   2HB   LYS  72          HB1       LYS  72  -6.469  -8.316  12.100
  533   1HG   LYS  72          HG2       LYS  72  -5.092  -9.813   9.884
  534   2HG   LYS  72          HG1       LYS  72  -5.966 -10.563  11.211
  535   1HD   LYS  72          HD2       LYS  72  -7.140  -8.650   9.198
  536   2HD   LYS  72          HD1       LYS  72  -7.342 -10.403   9.183
  537   1HE   LYS  72          HE2       LYS  72  -8.477 -10.302  11.338
  538   2HE   LYS  72          HE1       LYS  72  -8.242  -8.555  11.393
  539   1HZ   LYS  72          HZ1       LYS  72  -9.499  -8.642   9.139
  540   2HZ   LYS  72          HZ2       LYS  72 -10.366  -8.717  10.588
  541   3HZ   LYS  72          HZ3       LYS  72 -10.064 -10.131   9.710
  542    H    SER  73           HN       SER  73  -3.918  -5.189  10.194
  543    HA   SER  73           HA       SER  73  -3.905  -4.212  12.930
  544   1HB   SER  73          HB2       SER  73  -2.369  -2.484  12.083
  545   2HB   SER  73          HB1       SER  73  -1.840  -4.098  11.610
  546    HG   SER  73           HG       SER  73  -2.785  -3.714   9.559
  547    H    GLY  74           HN       GLY  74  -6.007  -3.973  10.409
  548   1HA   GLY  74          HA2       GLY  74  -7.966  -2.702  10.338
  549   2HA   GLY  74          HA1       GLY  74  -7.307  -1.659  11.593
  550    H    THR  75           HN       THR  75  -4.808  -1.749   9.692
  551    HA   THR  75           HA       THR  75  -5.767   0.274   7.785
  552    HB   THR  75           HB       THR  75  -3.235   0.416   9.437
  553    HG1  THR  75           HG1      THR  75  -4.320   1.668  10.713
  554   1HG2  THR  75          HG21      THR  75  -4.153   2.761   7.921
  555   2HG2  THR  75          HG22      THR  75  -3.441   1.453   6.977
  556   3HG2  THR  75          HG23      THR  75  -2.520   2.202   8.281
  557    H    ILE  76           HN       ILE  76  -5.175  -0.115   5.749
  558    HA   ILE  76           HA       ILE  76  -3.374  -2.334   5.217
  559    HB   ILE  76           HB       ILE  76  -5.476  -2.304   4.010
  560   1HG1  ILE  76          HG12      ILE  76  -3.114  -1.703   2.212
  561   2HG1  ILE  76          HG11      ILE  76  -3.532  -3.278   2.879
  562   1HG2  ILE  76          HG21      ILE  76  -4.703   0.481   3.494
  563   2HG2  ILE  76          HG22      ILE  76  -6.302  -0.249   3.632
  564   3HG2  ILE  76          HG23      ILE  76  -5.407  -0.365   2.117
  565   1HD1  ILE  76          HD11      ILE  76  -4.733  -3.673   1.070
  566   2HD1  ILE  76          HD12      ILE  76  -4.428  -2.042   0.473
  567   3HD1  ILE  76          HD13      ILE  76  -5.811  -2.353   1.522
  568    H    ASP  77           HN       ASP  77  -1.467  -2.227   4.156
  569    HA   ASP  77           HA       ASP  77  -0.461   0.456   3.446
  570   1HB   ASP  77          HB2       ASP  77   1.116  -1.840   4.636
  571   2HB   ASP  77          HB1       ASP  77   1.784  -0.288   4.142
  572    H    TYR  78           HN       TYR  78   1.323   0.383   1.807
  573    HA   TYR  78           HA       TYR  78   0.500  -1.029  -0.475
  574   1HB   TYR  78          HB2       TYR  78   1.825   1.084  -0.518
  575   2HB   TYR  78          HB1       TYR  78   3.230   0.175   0.024
  576    HD1  TYR  78           HD1      TYR  78   4.744   0.096  -1.727
  577    HD2  TYR  78           HD2      TYR  78   0.625  -0.595  -2.540
  578    HE1  TYR  78           HE1      TYR  78   5.299  -0.444  -4.061
  579    HE2  TYR  78           HE2      TYR  78   1.170  -1.138  -4.875
  580    HH   TYR  78           HH       TYR  78   2.861  -1.637  -6.303
  581    H    GLY  79           HN       GLY  79   2.768  -1.812   2.047
  582   1HA   GLY  79          HA2       GLY  79   3.925  -4.036   0.599
  583   2HA   GLY  79          HA1       GLY  79   4.280  -3.568   2.254
  584    H    GLU  80           HN       GLU  80   1.148  -3.558   2.500
  585    HA   GLU  80           HA       GLU  80   1.039  -6.277   3.500
  586   1HB   GLU  80          HB2       GLU  80  -1.120  -4.164   3.574
  587   2HB   GLU  80          HB1       GLU  80  -1.033  -5.626   4.547
  588   1HG   GLU  80          HG2       GLU  80   0.898  -3.322   4.688
  589   2HG   GLU  80          HG1       GLU  80  -0.430  -3.617   5.809
  590    H    PHE  81           HN       PHE  81  -0.271  -4.381   0.885
  591    HA   PHE  81           HA       PHE  81  -2.230  -6.340   0.116
  592   1HB   PHE  81          HB2       PHE  81  -2.590  -3.952  -0.315
  593   2HB   PHE  81          HB1       PHE  81  -1.176  -3.920  -1.362
  594    HD1  PHE  81           HD1      PHE  81  -1.835  -3.597  -3.528
  595    HD2  PHE  81           HD2      PHE  81  -4.063  -6.266  -1.077
  596    HE1  PHE  81           HE1      PHE  81  -3.252  -4.177  -5.456
  597    HE2  PHE  81           HE2      PHE  81  -5.483  -6.855  -3.000
  598    HZ   PHE  81           HZ       PHE  81  -5.078  -5.810  -5.193
  599    H    ILE  82           HN       ILE  82   1.018  -5.428  -0.907
  600    HA   ILE  82           HA       ILE  82   1.081  -7.066  -3.221
  601    HB   ILE  82           HB       ILE  82   3.551  -6.772  -3.113
  602   1HG1  ILE  82          HG12      ILE  82   4.293  -4.976  -1.414
  603   2HG1  ILE  82          HG11      ILE  82   2.843  -5.414  -0.520
  604   1HG2  ILE  82          HG21      ILE  82   3.442  -4.234  -3.316
  605   2HG2  ILE  82          HG22      ILE  82   1.726  -4.400  -2.946
  606   3HG2  ILE  82          HG23      ILE  82   2.399  -5.180  -4.378
  607   1HD1  ILE  82          HD11      ILE  82   3.892  -7.130   0.393
  608   2HD1  ILE  82          HD12      ILE  82   5.370  -6.626  -0.427
  609   3HD1  ILE  82          HD13      ILE  82   4.284  -7.783  -1.197
  610    H    ALA  83           HN       ALA  83   1.327  -7.768   0.105
  611    HA   ALA  83           HA       ALA  83   3.050  -9.908   0.263
  612   1HB   ALA  83          HB1       ALA  83   1.386 -10.756   2.046
  613   2HB   ALA  83          HB2       ALA  83   0.511  -9.263   1.707
  614   3HB   ALA  83          HB3       ALA  83   2.175  -9.197   2.288
  615    H    ALA  84           HN       ALA  84   0.072  -9.737  -1.440
  616    HA   ALA  84           HA       ALA  84  -0.806 -12.371  -1.418
  617   1HB   ALA  84          HB1       ALA  84  -1.188 -11.364  -4.036
  618   2HB   ALA  84          HB2       ALA  84  -1.350 -10.014  -2.912
  619   3HB   ALA  84          HB3       ALA  84  -2.352 -11.452  -2.713
  620    H    THR  85           HN       THR  85   0.440 -14.094  -1.751
  621    HA   THR  85           HA       THR  85   2.160 -14.123  -4.143
  622    HB   THR  85           HB       THR  85   2.719 -15.447  -1.479
  623    HG1  THR  85           HG1      THR  85   4.650 -13.897  -1.942
  624   1HG2  THR  85          HG21      THR  85   4.791 -15.205  -3.577
  625   2HG2  THR  85          HG22      THR  85   3.580 -16.474  -3.759
  626   3HG2  THR  85          HG23      THR  85   4.588 -16.417  -2.313
  627    H    VAL  86           HN       VAL  86   2.355 -16.133  -5.229
  628    HA   VAL  86           HA       VAL  86   1.527 -18.033  -6.165
  629    HB   VAL  86           HB       VAL  86   0.709 -18.715  -3.336
  630   1HG1  VAL  86          HG11      VAL  86   0.152 -20.768  -4.038
  631   2HG1  VAL  86          HG12      VAL  86   1.523 -20.863  -5.143
  632   3HG1  VAL  86          HG13      VAL  86   0.047 -20.033  -5.638
  633   1HG2  VAL  86          HG21      VAL  86   3.256 -18.200  -4.241
  634   2HG2  VAL  86          HG22      VAL  86   3.128 -19.954  -4.383
  635   3HG2  VAL  86          HG23      VAL  86   2.838 -19.171  -2.829
  636    H    HIS  87           HN       HIS  87  -0.083 -16.885  -7.328
  637    HA   HIS  87           HA       HIS  87  -2.807 -17.262  -6.267
  638   1HB   HIS  87          HB2       HIS  87  -2.229 -14.884  -6.410
  639   2HB   HIS  87          HB1       HIS  87  -1.811 -15.077  -8.109
  640    HD1  HIS  87           HD1      HIS  87  -4.901 -15.847  -6.004
  641    HD2  HIS  87           HD2      HIS  87  -3.824 -14.191  -9.661
  642    HE1  HIS  87           HE1      HIS  87  -7.060 -15.146  -7.088
  643    HE2  HIS  87           HE2      HIS  87  -6.387 -14.180  -9.315
  Start of MODEL    2
    1   1H    HIS   1           HT1      HIS   1 -36.434  -7.668   0.848
    2   2H    HIS   1           HT2      HIS   1 -36.245  -6.396   1.945
    3   3H    HIS   1           HT3      HIS   1 -36.862  -7.880   2.472
    4    HA   HIS   1           HA       HIS   1 -34.608  -7.723   3.179
    5   1HB   HIS   1          HB2       HIS   1 -33.719  -9.738   2.048
    6   2HB   HIS   1          HB1       HIS   1 -35.415  -9.915   2.481
    7    HD1  HIS   1           HD1      HIS   1 -37.035  -9.072   0.280
    8    HD2  HIS   1           HD2      HIS   1 -33.270 -10.682  -0.431
    9    HE1  HIS   1           HE1      HIS   1 -37.080  -9.858  -2.108
   10    HE2  HIS   1           HE2      HIS   1 -34.806 -10.867  -2.505
   11    H    SER   2           HN       SER   2 -32.284  -7.900   2.402
   12    HA   SER   2           HA       SER   2 -31.796  -5.713   0.544
   13   1HB   SER   2          HB2       SER   2 -29.877  -7.252   2.312
   14   2HB   SER   2          HB1       SER   2 -29.476  -5.817   1.368
   15    HG   SER   2           HG       SER   2 -31.602  -5.735   3.202
   16    H    SER   3           HN       SER   3 -29.956  -5.924  -1.002
   17    HA   SER   3           HA       SER   3 -30.303  -8.347  -2.557
   18   1HB   SER   3          HB2       SER   3 -28.739  -5.823  -3.151
   19   2HB   SER   3          HB1       SER   3 -29.004  -7.147  -4.286
   20    HG   SER   3           HG       SER   3 -30.980  -6.474  -4.613
   21    H    GLY   4           HN       GLY   4 -28.344  -7.502  -0.067
   22   1HA   GLY   4          HA2       GLY   4 -26.715  -9.129   0.687
   23   2HA   GLY   4          HA1       GLY   4 -26.241  -9.352  -0.991
   24    H    HIS   5           HN       HIS   5 -26.687  -6.144  -0.738
   25    HA   HIS   5           HA       HIS   5 -23.857  -5.687  -0.074
   26   1HB   HIS   5          HB2       HIS   5 -25.704  -4.093  -1.863
   27   2HB   HIS   5          HB1       HIS   5 -24.042  -3.650  -1.483
   28    HD1  HIS   5           HD1      HIS   5 -22.352  -5.904  -2.049
   29    HD2  HIS   5           HD2      HIS   5 -25.808  -5.289  -4.271
   30    HE1  HIS   5           HE1      HIS   5 -22.006  -7.170  -4.193
   31    HE2  HIS   5           HE2      HIS   5 -24.077  -6.720  -5.555
   32    H    ILE   6           HN       ILE   6 -26.941  -3.880  -0.039
   33    HA   ILE   6           HA       ILE   6 -26.025  -2.143   2.051
   34    HB   ILE   6           HB       ILE   6 -28.806  -2.519   0.929
   35   1HG1  ILE   6          HG12      ILE   6 -27.187  -1.754  -0.751
   36   2HG1  ILE   6          HG11      ILE   6 -28.334  -0.480  -0.353
   37   1HG2  ILE   6          HG21      ILE   6 -28.340   0.073   2.034
   38   2HG2  ILE   6          HG22      ILE   6 -27.964  -1.152   3.246
   39   3HG2  ILE   6          HG23      ILE   6 -29.554  -1.125   2.483
   40   1HD1  ILE   6          HD11      ILE   6 -26.280   0.006   1.390
   41   2HD1  ILE   6          HD12      ILE   6 -26.540   0.818  -0.154
   42   3HD1  ILE   6          HD13      ILE   6 -25.442  -0.559  -0.056
   43    H    ASP   7           HN       ASP   7 -25.505  -3.491   3.789
   44    HA   ASP   7           HA       ASP   7 -27.837  -4.485   5.267
   45   1HB   ASP   7          HB2       ASP   7 -25.235  -5.988   4.909
   46   2HB   ASP   7          HB1       ASP   7 -26.536  -6.465   5.995
   47    H    ASP   8           HN       ASP   8 -24.314  -4.456   5.796
   48    HA   ASP   8           HA       ASP   8 -24.766  -3.260   8.418
   49   1HB   ASP   8          HB2       ASP   8 -22.245  -4.393   7.185
   50   2HB   ASP   8          HB1       ASP   8 -22.399  -3.816   8.842
   51    H    ASP   9           HN       ASP   9 -21.694  -2.676   6.998
   52    HA   ASP   9           HA       ASP   9 -22.210  -0.189   5.763
   53   1HB   ASP   9          HB2       ASP   9 -21.251   1.312   7.465
   54   2HB   ASP   9          HB1       ASP   9 -22.724   0.539   8.043
   55    H    ASP  10           HN       ASP  10 -20.550  -2.738   5.768
   56    HA   ASP  10           HA       ASP  10 -17.850  -1.623   5.710
   57   1HB   ASP  10          HB2       ASP  10 -18.802  -4.477   5.403
   58   2HB   ASP  10          HB1       ASP  10 -17.117  -3.968   5.434
   59    H    LYS  11           HN       LYS  11 -20.374  -2.707   3.620
   60    HA   LYS  11           HA       LYS  11 -18.657  -2.838   1.283
   61   1HB   LYS  11          HB2       LYS  11 -21.655  -3.115   1.557
   62   2HB   LYS  11          HB1       LYS  11 -20.752  -3.367   0.071
   63   1HG   LYS  11          HG2       LYS  11 -20.413  -4.966   2.600
   64   2HG   LYS  11          HG1       LYS  11 -21.339  -5.470   1.184
   65   1HD   LYS  11          HD2       LYS  11 -19.292  -5.347  -0.175
   66   2HD   LYS  11          HD1       LYS  11 -18.378  -4.889   1.264
   67   1HE   LYS  11          HE2       LYS  11 -18.951  -7.016   2.314
   68   2HE   LYS  11          HE1       LYS  11 -19.895  -7.470   0.896
   69   1HZ   LYS  11          HZ1       LYS  11 -18.044  -7.894  -0.318
   70   2HZ   LYS  11          HZ2       LYS  11 -17.405  -8.225   1.213
   71   3HZ   LYS  11          HZ3       LYS  11 -17.099  -6.735   0.474
   72    H    HIS  12           HN       HIS  12 -20.553  -0.526   2.939
   73    HA   HIS  12           HA       HIS  12 -21.004   1.170   0.642
   74   1HB   HIS  12          HB2       HIS  12 -22.618   1.083   2.523
   75   2HB   HIS  12          HB1       HIS  12 -21.391   1.766   3.585
   76    HD1  HIS  12           HD1      HIS  12 -22.861   2.779   0.213
   77    HD2  HIS  12           HD2      HIS  12 -21.830   4.405   3.895
   78    HE1  HIS  12           HE1      HIS  12 -23.443   5.220   0.056
   79    HE2  HIS  12           HE2      HIS  12 -22.714   6.202   2.259
   80    H    MET  13           HN       MET  13 -18.480   0.605   2.837
   81    HA   MET  13           HA       MET  13 -17.336   3.136   3.127
   82   1HB   MET  13          HB2       MET  13 -16.004   0.428   2.970
   83   2HB   MET  13          HB1       MET  13 -15.195   1.904   3.478
   84   1HG   MET  13          HG2       MET  13 -16.772   2.108   5.346
   85   2HG   MET  13          HG1       MET  13 -17.537   0.601   4.846
   86   1HE   MET  13          HE1       MET  13 -16.719  -0.731   7.589
   87   2HE   MET  13          HE2       MET  13 -16.932   1.017   7.492
   88   3HE   MET  13          HE3       MET  13 -15.473   0.346   8.220
   89    H    ALA  14           HN       ALA  14 -17.365   0.946   0.423
   90    HA   ALA  14           HA       ALA  14 -15.180   2.080  -0.997
   91   1HB   ALA  14          HB1       ALA  14 -16.875  -0.100  -1.340
   92   2HB   ALA  14          HB2       ALA  14 -15.548   0.388  -2.394
   93   3HB   ALA  14          HB3       ALA  14 -17.190   0.940  -2.729
   94    H    GLU  15           HN       GLU  15 -18.431   3.057  -0.492
   95    HA   GLU  15           HA       GLU  15 -18.542   4.773  -2.820
   96   1HB   GLU  15          HB2       GLU  15 -20.437   4.524  -0.478
   97   2HB   GLU  15          HB1       GLU  15 -20.741   5.449  -1.941
   98   1HG   GLU  15          HG2       GLU  15 -20.322   2.471  -1.836
   99   2HG   GLU  15          HG1       GLU  15 -21.888   3.276  -1.916
  100    H    ARG  16           HN       ARG  16 -17.550   4.974   0.458
  101    HA   ARG  16           HA       ARG  16 -17.875   7.787   0.786
  102   1HB   ARG  16          HB2       ARG  16 -16.137   5.809   2.268
  103   2HB   ARG  16          HB1       ARG  16 -16.374   7.482   2.752
  104   1HG   ARG  16          HG2       ARG  16 -18.766   7.061   3.036
  105   2HG   ARG  16          HG1       ARG  16 -18.521   5.380   2.560
  106   1HD   ARG  16          HD2       ARG  16 -17.069   5.024   4.471
  107   2HD   ARG  16          HD1       ARG  16 -17.220   6.720   4.928
  108    HE   ARG  16           HE       ARG  16 -19.785   5.611   4.811
  109   1HH1  ARG  16          HH11      ARG  16 -16.867   5.335   6.696
  110   2HH1  ARG  16          HH12      ARG  16 -17.694   4.879   8.148
  111   1HH2  ARG  16          HH21      ARG  16 -20.883   5.014   6.723
  112   2HH2  ARG  16          HH22      ARG  16 -19.975   4.696   8.163
  113    H    LEU  17           HN       LEU  17 -14.698   6.887   1.615
  114    HA   LEU  17           HA       LEU  17 -13.617   8.834  -0.185
  115   1HB   LEU  17          HB2       LEU  17 -11.429   8.165   0.829
  116   2HB   LEU  17          HB1       LEU  17 -12.634   8.728   1.968
  117    HG   LEU  17           HG       LEU  17 -13.138   6.274   2.438
  118   1HD1  LEU  17          HD11      LEU  17 -10.628   5.194   1.893
  119   2HD1  LEU  17          HD12      LEU  17 -11.129   5.982   0.397
  120   3HD1  LEU  17          HD13      LEU  17 -12.163   4.762   1.141
  121   1HD2  LEU  17          HD21      LEU  17 -10.332   7.047   3.158
  122   2HD2  LEU  17          HD22      LEU  17 -11.526   6.181   4.124
  123   3HD2  LEU  17          HD23      LEU  17 -11.725   7.906   3.815
  124    H    SER  18           HN       SER  18 -11.909   8.442  -1.724
  125    HA   SER  18           HA       SER  18 -12.484   6.153  -3.363
  126   1HB   SER  18          HB2       SER  18 -10.840   7.155  -4.923
  127   2HB   SER  18          HB1       SER  18 -12.067   8.313  -4.414
  128    HG   SER  18           HG       SER  18 -10.046   9.275  -4.281
  129    H    GLU  19           HN       GLU  19 -11.807   4.403  -2.061
  130    HA   GLU  19           HA       GLU  19  -9.054   4.210  -1.224
  131   1HB   GLU  19          HB2       GLU  19  -9.666   1.982  -0.422
  132   2HB   GLU  19          HB1       GLU  19 -10.831   3.183   0.118
  133   1HG   GLU  19          HG2       GLU  19 -12.371   2.493  -1.638
  134   2HG   GLU  19          HG1       GLU  19 -11.200   1.302  -2.203
  135    H    GLU  20           HN       GLU  20 -10.716   3.721  -4.091
  136    HA   GLU  20           HA       GLU  20  -9.426   1.453  -5.153
  137   1HB   GLU  20          HB2       GLU  20 -10.152   2.309  -7.342
  138   2HB   GLU  20          HB1       GLU  20 -11.447   2.372  -6.155
  139   1HG   GLU  20          HG2       GLU  20 -11.038   4.758  -5.832
  140   2HG   GLU  20          HG1       GLU  20  -9.742   4.694  -7.026
  141    H    GLU  21           HN       GLU  21  -8.309   4.611  -4.522
  142    HA   GLU  21           HA       GLU  21  -5.748   3.966  -5.754
  143   1HB   GLU  21          HB2       GLU  21  -5.569   6.194  -6.797
  144   2HB   GLU  21          HB1       GLU  21  -6.872   5.239  -7.490
  145   1HG   GLU  21          HG2       GLU  21  -8.490   6.472  -6.130
  146   2HG   GLU  21          HG1       GLU  21  -7.177   7.437  -5.457
  147    H    ILE  22           HN       ILE  22  -4.339   6.190  -5.316
  148    HA   ILE  22           HA       ILE  22  -3.738   6.134  -2.602
  149    HB   ILE  22           HB       ILE  22  -2.358   8.115  -2.996
  150   1HG1  ILE  22          HG12      ILE  22  -3.647   8.170  -5.735
  151   2HG1  ILE  22          HG11      ILE  22  -3.962   9.326  -4.446
  152   1HG2  ILE  22          HG21      ILE  22  -1.032   6.449  -3.694
  153   2HG2  ILE  22          HG22      ILE  22  -1.366   7.069  -5.311
  154   3HG2  ILE  22          HG23      ILE  22  -2.303   5.718  -4.674
  155   1HD1  ILE  22          HD11      ILE  22  -1.234   8.885  -5.622
  156   2HD1  ILE  22          HD12      ILE  22  -1.771  10.203  -4.581
  157   3HD1  ILE  22          HD13      ILE  22  -2.376  10.082  -6.233
  158    H    GLY  23           HN       GLY  23  -6.309   7.689  -4.149
  159   1HA   GLY  23          HA2       GLY  23  -6.790  10.075  -3.028
  160   2HA   GLY  23          HA1       GLY  23  -8.059   8.882  -3.223
  161    H    GLY  24           HN       GLY  24  -6.910   7.049  -1.203
  162   1HA   GLY  24          HA2       GLY  24  -7.947   8.491   1.121
  163   2HA   GLY  24          HA1       GLY  24  -7.768   6.753   0.983
  164    H    LEU  25           HN       LEU  25  -5.357   6.079   0.736
  165    HA   LEU  25           HA       LEU  25  -4.069   6.835   3.136
  166   1HB   LEU  25          HB2       LEU  25  -3.956   4.586   2.063
  167   2HB   LEU  25          HB1       LEU  25  -2.883   5.268   0.856
  168    HG   LEU  25           HG       LEU  25  -1.243   5.798   2.616
  169   1HD1  LEU  25          HD11      LEU  25  -1.521   5.253   4.861
  170   2HD1  LEU  25          HD12      LEU  25  -2.888   4.188   4.533
  171   3HD1  LEU  25          HD13      LEU  25  -3.082   5.936   4.406
  172   1HD2  LEU  25          HD21      LEU  25  -2.127   2.916   2.677
  173   2HD2  LEU  25          HD22      LEU  25  -0.517   3.532   3.049
  174   3HD2  LEU  25          HD23      LEU  25  -1.150   3.653   1.407
  175    H    LYS  26           HN       LYS  26  -4.095   8.420   0.204
  176    HA   LYS  26           HA       LYS  26  -1.623   9.201  -0.493
  177   1HB   LYS  26          HB2       LYS  26  -2.494  11.414  -1.072
  178   2HB   LYS  26          HB1       LYS  26  -3.625  10.146  -1.521
  179   1HG   LYS  26          HG2       LYS  26  -5.049  10.657   0.314
  180   2HG   LYS  26          HG1       LYS  26  -3.853  11.747   1.014
  181   1HD   LYS  26          HD2       LYS  26  -5.545  13.073  -0.044
  182   2HD   LYS  26          HD1       LYS  26  -4.075  13.186  -1.009
  183   1HE   LYS  26          HE2       LYS  26  -6.360  11.315  -1.615
  184   2HE   LYS  26          HE1       LYS  26  -6.174  12.911  -2.336
  185   1HZ   LYS  26          HZ1       LYS  26  -3.880  12.039  -3.035
  186   2HZ   LYS  26          HZ2       LYS  26  -5.237  11.501  -3.889
  187   3HZ   LYS  26          HZ3       LYS  26  -4.519  10.503  -2.729
  188    H    GLU  27           HN       GLU  27  -3.174  10.033   2.529
  189    HA   GLU  27           HA       GLU  27  -1.514  12.152   3.310
  190   1HB   GLU  27          HB2       GLU  27  -2.910  10.076   5.005
  191   2HB   GLU  27          HB1       GLU  27  -2.185  11.552   5.626
  192   1HG   GLU  27          HG2       GLU  27  -4.443  11.434   3.639
  193   2HG   GLU  27          HG1       GLU  27  -4.621  11.714   5.370
  194    H    LEU  28           HN       LEU  28  -1.265   8.692   4.172
  195    HA   LEU  28           HA       LEU  28   1.430   9.123   5.166
  196   1HB   LEU  28          HB2       LEU  28  -0.344   6.690   5.129
  197   2HB   LEU  28          HB1       LEU  28   1.299   6.677   5.738
  198    HG   LEU  28           HG       LEU  28   0.625   8.403   7.420
  199   1HD1  LEU  28          HD11      LEU  28  -2.150   7.779   6.422
  200   2HD1  LEU  28          HD12      LEU  28  -1.307   9.320   6.264
  201   3HD1  LEU  28          HD13      LEU  28  -1.758   8.722   7.860
  202   1HD2  LEU  28          HD21      LEU  28   0.684   5.901   7.806
  203   2HD2  LEU  28          HD22      LEU  28  -1.070   5.930   7.620
  204   3HD2  LEU  28          HD23      LEU  28  -0.306   6.844   8.921
  205    H    PHE  29           HN       PHE  29  -0.069   6.850   2.841
  206    HA   PHE  29           HA       PHE  29   2.039   5.570   1.811
  207   1HB   PHE  29          HB2       PHE  29  -0.372   5.411   1.087
  208   2HB   PHE  29          HB1       PHE  29  -0.063   6.776   0.020
  209    HD1  PHE  29           HD1      PHE  29   1.937   3.749   0.850
  210    HD2  PHE  29           HD2      PHE  29  -0.047   6.021  -2.147
  211    HE1  PHE  29           HE1      PHE  29   2.771   2.204  -0.863
  212    HE2  PHE  29           HE2      PHE  29   0.783   4.479  -3.868
  213    HZ   PHE  29           HZ       PHE  29   2.195   2.563  -3.232
  214    H    LYS  30           HN       LYS  30   1.172   8.898   0.926
  215    HA   LYS  30           HA       LYS  30   3.150   9.135  -1.102
  216   1HB   LYS  30          HB2       LYS  30   2.441  11.319  -1.341
  217   2HB   LYS  30          HB1       LYS  30   1.034  10.582  -0.595
  218   1HG   LYS  30          HG2       LYS  30   1.679  11.456   1.571
  219   2HG   LYS  30          HG1       LYS  30   3.134  12.163   0.864
  220   1HD   LYS  30          HD2       LYS  30   1.749  13.576  -0.576
  221   2HD   LYS  30          HD1       LYS  30   0.293  12.863   0.122
  222   1HE   LYS  30          HE2       LYS  30   0.782  15.032   1.129
  223   2HE   LYS  30          HE1       LYS  30   0.908  13.735   2.316
  224   1HZ   LYS  30          HZ1       LYS  30   3.252  13.831   2.239
  225   2HZ   LYS  30          HZ2       LYS  30   2.727  15.433   2.373
  226   3HZ   LYS  30          HZ3       LYS  30   3.254  14.839   0.880
  227    H    MET  31           HN       MET  31   3.029  10.036   2.290
  228    HA   MET  31           HA       MET  31   5.557  11.305   2.380
  229   1HB   MET  31          HB2       MET  31   3.789  11.694   4.045
  230   2HB   MET  31          HB1       MET  31   3.972  10.044   4.623
  231   1HG   MET  31          HG2       MET  31   6.246  10.527   5.331
  232   2HG   MET  31          HG1       MET  31   6.099  12.172   4.716
  233   1HE   MET  31          HE1       MET  31   3.992   9.685   6.469
  234   2HE   MET  31          HE2       MET  31   3.129  10.593   7.711
  235   3HE   MET  31          HE3       MET  31   4.712   9.902   8.063
  236    H    ILE  32           HN       ILE  32   4.640   7.982   2.392
  237    HA   ILE  32           HA       ILE  32   7.195   7.154   3.537
  238    HB   ILE  32           HB       ILE  32   5.072   5.976   4.179
  239   1HG1  ILE  32          HG12      ILE  32   6.058   3.704   4.012
  240   2HG1  ILE  32          HG11      ILE  32   7.238   4.325   2.861
  241   1HG2  ILE  32          HG21      ILE  32   5.027   5.500   1.275
  242   2HG2  ILE  32          HG22      ILE  32   3.700   5.610   2.432
  243   3HG2  ILE  32          HG23      ILE  32   4.623   4.114   2.287
  244   1HD1  ILE  32          HD11      ILE  32   8.549   5.021   4.500
  245   2HD1  ILE  32          HD12      ILE  32   7.465   4.215   5.634
  246   3HD1  ILE  32          HD13      ILE  32   7.228   5.920   5.247
  247    H    ASP  33           HN       ASP  33   5.569   7.504   0.524
  248    HA   ASP  33           HA       ASP  33   7.236   5.790  -1.026
  249   1HB   ASP  33          HB2       ASP  33   4.973   6.469  -1.751
  250   2HB   ASP  33          HB1       ASP  33   5.524   8.135  -1.891
  251    H    THR  34           HN       THR  34   9.306   6.137  -1.489
  252    HA   THR  34           HA       THR  34  10.719   8.465  -0.878
  253    HB   THR  34           HB       THR  34  11.419   6.322  -2.898
  254    HG1  THR  34           HG1      THR  34  12.169   6.542  -0.175
  255   1HG2  THR  34          HG21      THR  34  12.842   8.686  -2.133
  256   2HG2  THR  34          HG22      THR  34  13.274   7.447  -3.311
  257   3HG2  THR  34          HG23      THR  34  13.722   7.248  -1.617
  258    H    ASP  35           HN       ASP  35   8.622   7.807  -3.448
  259    HA   ASP  35           HA       ASP  35   9.740   9.953  -5.099
  260   1HB   ASP  35          HB2       ASP  35   9.311   7.722  -6.155
  261   2HB   ASP  35          HB1       ASP  35   7.596   7.970  -5.848
  262    H    ASN  36           HN       ASN  36   7.084   9.139  -3.049
  263    HA   ASN  36           HA       ASN  36   5.207  10.275  -2.427
  264   1HB   ASN  36          HB2       ASN  36   6.921  11.976  -1.828
  265   2HB   ASN  36          HB1       ASN  36   6.755  12.680  -3.433
  266   1HD2  ASN  36          HD21      ASN  36   5.487  14.375  -3.539
  267   2HD2  ASN  36          HD22      ASN  36   4.162  14.729  -2.489
  268    H    SER  37           HN       SER  37   5.769   9.473  -5.357
  269    HA   SER  37           HA       SER  37   4.076  11.292  -6.845
  270   1HB   SER  37          HB2       SER  37   4.469   9.739  -8.730
  271   2HB   SER  37          HB1       SER  37   5.981  10.236  -7.971
  272    HG   SER  37           HG       SER  37   4.917   7.986  -6.850
  273    H    GLY  38           HN       GLY  38   3.749   8.510  -4.928
  274   1HA   GLY  38          HA2       GLY  38   1.488   7.962  -4.177
  275   2HA   GLY  38          HA1       GLY  38   0.939   8.243  -5.822
  276    H    THR  39           HN       THR  39   3.890   6.645  -5.759
  277    HA   THR  39           HA       THR  39   2.750   3.969  -5.605
  278    HB   THR  39           HB       THR  39   3.718   3.317  -7.789
  279    HG1  THR  39           HG1      THR  39   4.134   6.100  -8.132
  280   1HG2  THR  39          HG21      THR  39   1.336   4.611  -7.438
  281   2HG2  THR  39          HG22      THR  39   1.857   3.786  -8.907
  282   3HG2  THR  39          HG23      THR  39   2.088   5.527  -8.744
  283    H    ILE  40           HN       ILE  40   4.175   2.567  -4.704
  284    HA   ILE  40           HA       ILE  40   6.908   3.580  -4.311
  285    HB   ILE  40           HB       ILE  40   5.192   1.725  -2.695
  286   1HG1  ILE  40          HG12      ILE  40   6.950   4.062  -1.933
  287   2HG1  ILE  40          HG11      ILE  40   5.223   4.183  -2.274
  288   1HG2  ILE  40          HG21      ILE  40   8.197   1.905  -2.606
  289   2HG2  ILE  40          HG22      ILE  40   7.209   0.469  -2.871
  290   3HG2  ILE  40          HG23      ILE  40   7.217   1.255  -1.293
  291   1HD1  ILE  40          HD11      ILE  40   4.719   3.598  -0.200
  292   2HD1  ILE  40          HD12      ILE  40   6.439   3.693   0.181
  293   3HD1  ILE  40          HD13      ILE  40   5.726   2.154  -0.302
  294    H    THR  41           HN       THR  41   8.636   2.543  -5.116
  295    HA   THR  41           HA       THR  41   8.160  -0.052  -6.428
  296    HB   THR  41           HB       THR  41  10.031   0.502  -7.915
  297    HG1  THR  41           HG1      THR  41  10.219   3.127  -7.311
  298   1HG2  THR  41          HG21      THR  41   7.606   1.451  -8.262
  299   2HG2  THR  41          HG22      THR  41   8.938   1.908  -9.324
  300   3HG2  THR  41          HG23      THR  41   8.429   2.993  -8.030
  301    H    PHE  42           HN       PHE  42  10.050  -1.498  -6.455
  302    HA   PHE  42           HA       PHE  42  11.067  -1.979  -3.886
  303   1HB   PHE  42          HB2       PHE  42  10.756  -3.853  -5.298
  304   2HB   PHE  42          HB1       PHE  42  11.651  -3.110  -6.618
  305    HD1  PHE  42           HD1      PHE  42  13.600  -4.167  -7.081
  306    HD2  PHE  42           HD2      PHE  42  12.357  -3.874  -3.024
  307    HE1  PHE  42           HE1      PHE  42  15.639  -5.337  -6.377
  308    HE2  PHE  42           HE2      PHE  42  14.397  -5.045  -2.312
  309    HZ   PHE  42           HZ       PHE  42  16.046  -5.780  -3.987
  310    H    ASP  43           HN       ASP  43  12.350  -0.436  -6.752
  311    HA   ASP  43           HA       ASP  43  15.048  -0.279  -6.042
  312   1HB   ASP  43          HB2       ASP  43  13.382   1.683  -7.636
  313   2HB   ASP  43          HB1       ASP  43  15.138   1.621  -7.614
  314    H    GLU  44           HN       GLU  44  12.339   1.897  -5.409
  315    HA   GLU  44           HA       GLU  44  13.989   3.600  -3.728
  316   1HB   GLU  44          HB2       GLU  44  12.072   5.057  -3.626
  317   2HB   GLU  44          HB1       GLU  44  12.314   4.564  -5.292
  318   1HG   GLU  44          HG2       GLU  44  10.538   2.880  -5.021
  319   2HG   GLU  44          HG1       GLU  44  10.250   3.494  -3.392
  320    H    LEU  45           HN       LEU  45  11.922   0.905  -3.431
  321    HA   LEU  45           HA       LEU  45  10.803   1.323  -0.919
  322   1HB   LEU  45          HB2       LEU  45  10.068  -0.466  -2.403
  323   2HB   LEU  45          HB1       LEU  45  11.595  -1.298  -2.164
  324    HG   LEU  45           HG       LEU  45  11.075  -1.610   0.209
  325   1HD1  LEU  45          HD11      LEU  45   9.390   0.514  -0.075
  326   2HD1  LEU  45          HD12      LEU  45   9.404  -0.595   1.296
  327   3HD1  LEU  45          HD13      LEU  45   8.263  -0.841  -0.026
  328   1HD2  LEU  45          HD21      LEU  45  10.381  -3.306  -1.419
  329   2HD2  LEU  45          HD22      LEU  45   8.822  -2.499  -1.585
  330   3HD2  LEU  45          HD23      LEU  45   9.282  -3.222  -0.043
  331    H    LYS  46           HN       LYS  46  13.732  -0.479  -1.789
  332    HA   LYS  46           HA       LYS  46  14.598  -1.301   0.663
  333   1HB   LYS  46          HB2       LYS  46  16.913  -1.178  -0.285
  334   2HB   LYS  46          HB1       LYS  46  15.747  -2.012  -1.303
  335   1HG   LYS  46          HG2       LYS  46  15.532  -0.041  -2.707
  336   2HG   LYS  46          HG1       LYS  46  16.652   0.838  -1.665
  337   1HD   LYS  46          HD2       LYS  46  17.339  -1.686  -3.168
  338   2HD   LYS  46          HD1       LYS  46  17.695  -0.056  -3.742
  339   1HE   LYS  46          HE2       LYS  46  18.707  -1.281  -1.176
  340   2HE   LYS  46          HE1       LYS  46  19.638  -1.093  -2.662
  341   1HZ   LYS  46          HZ1       LYS  46  18.838   0.918  -0.703
  342   2HZ   LYS  46          HZ2       LYS  46  18.884   1.399  -2.323
  343   3HZ   LYS  46          HZ3       LYS  46  20.275   0.780  -1.587
  344    H    ASP  47           HN       ASP  47  15.467   1.810  -0.864
  345    HA   ASP  47           HA       ASP  47  17.098   2.852   1.083
  346   1HB   ASP  47          HB2       ASP  47  16.737   3.956  -1.053
  347   2HB   ASP  47          HB1       ASP  47  15.077   4.335  -0.607
  348    H    GLY  48           HN       GLY  48  13.793   2.148   1.398
  349   1HA   GLY  48          HA2       GLY  48  13.129   4.127   3.359
  350   2HA   GLY  48          HA1       GLY  48  12.193   2.688   2.975
  351    H    LEU  49           HN       LEU  49  13.709   0.624   3.573
  352    HA   LEU  49           HA       LEU  49  14.009   0.843   6.459
  353   1HB   LEU  49          HB2       LEU  49  14.061  -1.536   4.599
  354   2HB   LEU  49          HB1       LEU  49  14.297  -1.647   6.331
  355    HG   LEU  49           HG       LEU  49  12.041  -2.275   5.810
  356   1HD1  LEU  49          HD11      LEU  49  11.441   0.406   6.840
  357   2HD1  LEU  49          HD12      LEU  49  12.709  -0.465   7.703
  358   3HD1  LEU  49          HD13      LEU  49  11.107  -1.182   7.529
  359   1HD2  LEU  49          HD21      LEU  49  10.845  -1.370   4.176
  360   2HD2  LEU  49          HD22      LEU  49  12.236  -0.354   3.795
  361   3HD2  LEU  49          HD23      LEU  49  10.985   0.237   4.890
  362    H    LYS  50           HN       LYS  50  15.919   0.943   3.677
  363    HA   LYS  50           HA       LYS  50  18.299  -0.105   4.925
  364   1HB   LYS  50          HB2       LYS  50  17.879  -0.488   2.528
  365   2HB   LYS  50          HB1       LYS  50  17.971   1.246   2.250
  366   1HG   LYS  50          HG2       LYS  50  20.292   1.266   2.932
  367   2HG   LYS  50          HG1       LYS  50  20.215  -0.453   3.321
  368   1HD   LYS  50          HD2       LYS  50  19.727  -0.954   0.970
  369   2HD   LYS  50          HD1       LYS  50  19.823   0.767   0.588
  370   1HE   LYS  50          HE2       LYS  50  21.901  -0.369   0.013
  371   2HE   LYS  50          HE1       LYS  50  22.158   0.799   1.310
  372   1HZ   LYS  50          HZ1       LYS  50  23.303  -1.268   1.766
  373   2HZ   LYS  50          HZ2       LYS  50  21.856  -2.136   1.652
  374   3HZ   LYS  50          HZ3       LYS  50  22.077  -1.022   2.906
  375    H    ARG  51           HN       ARG  51  16.757   2.934   4.480
  376    HA   ARG  51           HA       ARG  51  18.739   4.797   4.458
  377   1HB   ARG  51          HB2       ARG  51  16.334   5.331   4.502
  378   2HB   ARG  51          HB1       ARG  51  16.273   4.892   6.204
  379   1HG   ARG  51          HG2       ARG  51  17.832   6.704   6.725
  380   2HG   ARG  51          HG1       ARG  51  17.874   7.151   5.019
  381   1HD   ARG  51          HD2       ARG  51  15.451   7.182   6.815
  382   2HD   ARG  51          HD1       ARG  51  16.352   8.591   6.257
  383    HE   ARG  51           HE       ARG  51  15.488   7.119   4.028
  384   1HH1  ARG  51          HH11      ARG  51  14.212   9.107   6.589
  385   2HH1  ARG  51          HH12      ARG  51  12.843   9.638   5.671
  386   1HH2  ARG  51          HH21      ARG  51  13.684   7.813   2.811
  387   2HH2  ARG  51          HH22      ARG  51  12.542   8.901   3.526
  388    H    VAL  52           HN       VAL  52  17.839   2.738   7.151
  389    HA   VAL  52           HA       VAL  52  19.791   4.096   8.869
  390    HB   VAL  52           HB       VAL  52  18.839   2.775  10.714
  391   1HG1  VAL  52          HG11      VAL  52  17.272   4.652   9.069
  392   2HG1  VAL  52          HG12      VAL  52  17.736   4.743  10.768
  393   3HG1  VAL  52          HG13      VAL  52  16.364   3.747  10.280
  394   1HG2  VAL  52          HG21      VAL  52  16.755   1.825   8.760
  395   2HG2  VAL  52          HG22      VAL  52  16.965   1.344  10.444
  396   3HG2  VAL  52          HG23      VAL  52  18.148   0.854   9.232
  397    H    GLY  53           HN       GLY  53  19.132   1.052   7.269
  398   1HA   GLY  53          HA2       GLY  53  20.370  -0.873   7.045
  399   2HA   GLY  53          HA1       GLY  53  21.757   0.204   7.123
  400    H    SER  54           HN       SER  54  19.344  -0.741   9.565
  401    HA   SER  54           HA       SER  54  21.296  -0.943  11.612
  402   1HB   SER  54          HB2       SER  54  18.453  -1.979  11.543
  403   2HB   SER  54          HB1       SER  54  19.453  -1.838  12.989
  404    HG   SER  54           HG       SER  54  18.955   0.194  13.078
  405    H    GLU  55           HN       GLU  55  19.086  -3.626  11.229
  406    HA   GLU  55           HA       GLU  55  21.394  -5.427  10.878
  407   1HB   GLU  55          HB2       GLU  55  20.472  -5.462  13.184
  408   2HB   GLU  55          HB1       GLU  55  18.913  -5.943  12.531
  409   1HG   GLU  55          HG2       GLU  55  19.897  -8.011  11.693
  410   2HG   GLU  55          HG1       GLU  55  21.467  -7.526  12.331
  411    H    LEU  56           HN       LEU  56  18.781  -4.249   9.361
  412    HA   LEU  56           HA       LEU  56  17.773  -6.737   8.265
  413   1HB   LEU  56          HB2       LEU  56  16.324  -5.213   6.896
  414   2HB   LEU  56          HB1       LEU  56  16.090  -5.137   8.632
  415    HG   LEU  56           HG       LEU  56  17.676  -3.096   8.542
  416   1HD1  LEU  56          HD11      LEU  56  17.132  -3.593   5.664
  417   2HD1  LEU  56          HD12      LEU  56  18.584  -2.978   6.454
  418   3HD1  LEU  56          HD13      LEU  56  17.186  -1.926   6.236
  419   1HD2  LEU  56          HD21      LEU  56  15.839  -1.637   8.304
  420   2HD2  LEU  56          HD22      LEU  56  15.183  -3.141   8.952
  421   3HD2  LEU  56          HD23      LEU  56  14.989  -2.759   7.241
  422    H    MET  57           HN       MET  57  17.983  -7.485   6.277
  423    HA   MET  57           HA       MET  57  20.147  -6.303   4.690
  424   1HB   MET  57          HB2       MET  57  20.506  -8.622   5.499
  425   2HB   MET  57          HB1       MET  57  19.060  -9.126   4.636
  426   1HG   MET  57          HG2       MET  57  21.009  -9.716   3.366
  427   2HG   MET  57          HG1       MET  57  20.111  -8.457   2.520
  428   1HE   MET  57          HE1       MET  57  24.138  -8.190   4.608
  429   2HE   MET  57          HE2       MET  57  22.792  -9.270   4.977
  430   3HE   MET  57          HE3       MET  57  22.812  -7.631   5.628
  431    H    GLU  58           HN       GLU  58  19.913  -6.201   2.451
  432    HA   GLU  58           HA       GLU  58  17.539  -5.157   1.485
  433   1HB   GLU  58          HB2       GLU  58  19.717  -4.803   0.411
  434   2HB   GLU  58          HB1       GLU  58  19.752  -6.487  -0.092
  435   1HG   GLU  58          HG2       GLU  58  17.762  -6.098  -1.475
  436   2HG   GLU  58          HG1       GLU  58  17.776  -4.402  -0.993
  437    H    SER  59           HN       SER  59  18.256  -8.393   2.116
  438    HA   SER  59           HA       SER  59  16.720  -9.660   0.092
  439   1HB   SER  59          HB2       SER  59  16.852 -11.658   1.546
  440   2HB   SER  59          HB1       SER  59  18.426 -10.890   1.337
  441    HG   SER  59           HG       SER  59  16.733 -10.357   3.544
  442    H    GLU  60           HN       GLU  60  15.968  -8.323   3.239
  443    HA   GLU  60           HA       GLU  60  13.408  -9.499   3.518
  444   1HB   GLU  60          HB2       GLU  60  14.653  -8.522   5.413
  445   2HB   GLU  60          HB1       GLU  60  14.475  -6.925   4.700
  446   1HG   GLU  60          HG2       GLU  60  12.876  -7.236   6.479
  447   2HG   GLU  60          HG1       GLU  60  12.045  -7.098   4.930
  448    H    ILE  61           HN       ILE  61  14.633  -6.638   1.932
  449    HA   ILE  61           HA       ILE  61  12.208  -5.283   1.509
  450    HB   ILE  61           HB       ILE  61  14.577  -5.252  -0.361
  451   1HG1  ILE  61          HG12      ILE  61  15.364  -4.892   1.928
  452   2HG1  ILE  61          HG11      ILE  61  15.442  -3.392   1.010
  453   1HG2  ILE  61          HG21      ILE  61  13.787  -3.227  -1.149
  454   2HG2  ILE  61          HG22      ILE  61  12.812  -2.929   0.290
  455   3HG2  ILE  61          HG23      ILE  61  12.294  -4.131  -0.892
  456   1HD1  ILE  61          HD11      ILE  61  14.144  -2.361   2.475
  457   2HD1  ILE  61          HD12      ILE  61  14.259  -3.797   3.494
  458   3HD1  ILE  61          HD13      ILE  61  12.916  -3.622   2.364
  459    H    LYS  62           HN       LYS  62  13.504  -8.130   0.103
  460    HA   LYS  62           HA       LYS  62  12.037  -8.046  -2.367
  461   1HB   LYS  62          HB2       LYS  62  13.066 -10.546  -1.039
  462   2HB   LYS  62          HB1       LYS  62  12.897 -10.208  -2.759
  463   1HG   LYS  62          HG2       LYS  62  14.812  -8.794  -0.940
  464   2HG   LYS  62          HG1       LYS  62  15.238 -10.195  -1.931
  465   1HD   LYS  62          HD2       LYS  62  14.160  -7.581  -2.988
  466   2HD   LYS  62          HD1       LYS  62  15.863  -8.039  -2.981
  467   1HE   LYS  62          HE2       LYS  62  13.649  -9.508  -4.411
  468   2HE   LYS  62          HE1       LYS  62  14.819  -8.426  -5.167
  469   1HZ   LYS  62          HZ1       LYS  62  15.854 -10.392  -5.523
  470   2HZ   LYS  62          HZ2       LYS  62  15.176 -11.145  -4.169
  471   3HZ   LYS  62          HZ3       LYS  62  16.479 -10.084  -3.981
  472    H    ASP  63           HN       ASP  63  11.809 -10.159   0.481
  473    HA   ASP  63           HA       ASP  63   9.248 -11.161  -0.090
  474   1HB   ASP  63          HB2       ASP  63  10.835 -12.180   1.541
  475   2HB   ASP  63          HB1       ASP  63  10.564 -10.818   2.622
  476    H    LEU  64           HN       LEU  64  10.377  -8.154   0.965
  477    HA   LEU  64           HA       LEU  64   7.942  -7.323   2.304
  478   1HB   LEU  64          HB2       LEU  64  10.205  -6.466   2.930
  479   2HB   LEU  64          HB1       LEU  64  10.289  -5.667   1.372
  480    HG   LEU  64           HG       LEU  64   8.295  -4.316   1.997
  481   1HD1  LEU  64          HD11      LEU  64   8.605  -4.897   4.852
  482   2HD1  LEU  64          HD12      LEU  64   7.869  -6.195   3.911
  483   3HD1  LEU  64          HD13      LEU  64   7.151  -4.584   3.906
  484   1HD2  LEU  64          HD21      LEU  64   9.551  -3.039   3.864
  485   2HD2  LEU  64          HD22      LEU  64  10.286  -3.163   2.266
  486   3HD2  LEU  64          HD23      LEU  64  10.835  -4.212   3.574
  487    H    MET  65           HN       MET  65   9.548  -6.790  -0.796
  488    HA   MET  65           HA       MET  65   7.394  -5.094  -1.752
  489   1HB   MET  65          HB2       MET  65   9.797  -4.634  -2.269
  490   2HB   MET  65          HB1       MET  65   9.827  -6.102  -3.233
  491   1HG   MET  65          HG2       MET  65   7.879  -3.894  -3.787
  492   2HG   MET  65          HG1       MET  65   9.518  -3.875  -4.435
  493   1HE   MET  65          HE1       MET  65   9.507  -7.317  -6.369
  494   2HE   MET  65          HE2       MET  65  10.259  -6.611  -4.938
  495   3HE   MET  65          HE3       MET  65  10.320  -5.755  -6.480
  496    H    ASP  66           HN       ASP  66   9.018  -7.930  -3.178
  497    HA   ASP  66           HA       ASP  66   7.251  -8.621  -5.102
  498   1HB   ASP  66          HB2       ASP  66   9.375  -9.798  -4.657
  499   2HB   ASP  66          HB1       ASP  66   8.636 -10.585  -3.266
  500    H    ALA  67           HN       ALA  67   6.886  -9.334  -1.658
  501    HA   ALA  67           HA       ALA  67   4.507 -10.900  -2.045
  502   1HB   ALA  67          HB1       ALA  67   6.228 -11.023  -0.112
  503   2HB   ALA  67          HB2       ALA  67   4.516 -11.265   0.237
  504   3HB   ALA  67          HB3       ALA  67   5.277  -9.713   0.587
  505    H    ALA  68           HN       ALA  68   5.223  -7.590  -1.009
  506    HA   ALA  68           HA       ALA  68   2.672  -6.807  -0.222
  507   1HB   ALA  68          HB1       ALA  68   3.401  -4.545  -0.527
  508   2HB   ALA  68          HB2       ALA  68   4.683  -5.056  -1.626
  509   3HB   ALA  68          HB3       ALA  68   4.762  -5.488   0.082
  510    H    ASP  69           HN       ASP  69   4.179  -6.140  -3.391
  511    HA   ASP  69           HA       ASP  69   1.505  -5.826  -4.535
  512   1HB   ASP  69          HB2       ASP  69   2.745  -4.929  -6.523
  513   2HB   ASP  69          HB1       ASP  69   2.974  -4.002  -5.044
  514    H    ILE  70           HN       ILE  70   0.616  -7.598  -5.300
  515    HA   ILE  70           HA       ILE  70   2.200  -9.848  -6.178
  516    HB   ILE  70           HB       ILE  70   0.168 -10.216  -4.845
  517   1HG1  ILE  70          HG12      ILE  70  -0.842 -11.978  -6.266
  518   2HG1  ILE  70          HG11      ILE  70  -0.003 -11.312  -7.663
  519   1HG2  ILE  70          HG21      ILE  70  -0.972  -8.255  -6.284
  520   2HG2  ILE  70          HG22      ILE  70  -1.887  -9.451  -5.366
  521   3HG2  ILE  70          HG23      ILE  70  -1.646  -9.666  -7.100
  522   1HD1  ILE  70          HD11      ILE  70   2.105 -11.941  -6.810
  523   2HD1  ILE  70          HD12      ILE  70   1.042 -13.334  -6.603
  524   3HD1  ILE  70          HD13      ILE  70   1.433 -12.309  -5.222
  525    H    ASP  71           HN       ASP  71   0.602  -7.162  -7.585
  526    HA   ASP  71           HA       ASP  71  -0.008  -8.195 -10.122
  527   1HB   ASP  71          HB2       ASP  71  -0.016  -5.845 -10.859
  528   2HB   ASP  71          HB1       ASP  71  -0.868  -6.045  -9.331
  529    H    LYS  72           HN       LYS  72   2.966  -7.630  -8.615
  530    HA   LYS  72           HA       LYS  72   5.141  -7.747  -9.282
  531   1HB   LYS  72          HB2       LYS  72   3.992  -9.145 -11.698
  532   2HB   LYS  72          HB1       LYS  72   5.642  -9.263 -11.102
  533   1HG   LYS  72          HG2       LYS  72   5.067 -10.630  -9.365
  534   2HG   LYS  72          HG1       LYS  72   3.415 -10.013  -9.284
  535   1HD   LYS  72          HD2       LYS  72   3.345 -12.248 -10.151
  536   2HD   LYS  72          HD1       LYS  72   2.957 -11.115 -11.451
  537   1HE   LYS  72          HE2       LYS  72   5.237 -11.288 -12.297
  538   2HE   LYS  72          HE1       LYS  72   5.656 -12.384 -10.981
  539   1HZ   LYS  72          HZ1       LYS  72   3.429 -13.469 -12.199
  540   2HZ   LYS  72          HZ2       LYS  72   5.021 -14.035 -12.292
  541   3HZ   LYS  72          HZ3       LYS  72   4.432 -12.970 -13.467
  542    H    SER  73           HN       SER  73   3.168  -5.658 -10.514
  543    HA   SER  73           HA       SER  73   4.184  -4.903 -13.029
  544   1HB   SER  73          HB2       SER  73   3.106  -2.779 -12.692
  545   2HB   SER  73          HB1       SER  73   2.078  -4.017 -11.970
  546    HG   SER  73           HG       SER  73   3.717  -2.108 -10.711
  547    H    GLY  74           HN       GLY  74   5.565  -4.688  -9.917
  548   1HA   GLY  74          HA2       GLY  74   7.930  -4.231  -9.731
  549   2HA   GLY  74          HA1       GLY  74   7.756  -3.049 -11.021
  550    H    THR  75           HN       THR  75   5.183  -2.170  -9.685
  551    HA   THR  75           HA       THR  75   6.311  -0.738  -7.383
  552    HB   THR  75           HB       THR  75   6.429   0.824  -9.215
  553    HG1  THR  75           HG1      THR  75   4.855   1.203  -7.096
  554   1HG2  THR  75          HG21      THR  75   4.799  -0.230 -10.718
  555   2HG2  THR  75          HG22      THR  75   4.541   1.505 -10.532
  556   3HG2  THR  75          HG23      THR  75   3.497   0.362  -9.687
  557    H    ILE  76           HN       ILE  76   5.037  -0.832  -5.643
  558    HA   ILE  76           HA       ILE  76   2.519  -2.192  -5.811
  559    HB   ILE  76           HB       ILE  76   3.982  -2.620  -3.924
  560   1HG1  ILE  76          HG12      ILE  76   1.465  -1.175  -3.065
  561   2HG1  ILE  76          HG11      ILE  76   1.543  -2.845  -3.615
  562   1HG2  ILE  76          HG21      ILE  76   4.018  -0.697  -2.148
  563   2HG2  ILE  76          HG22      ILE  76   3.779   0.330  -3.561
  564   3HG2  ILE  76          HG23      ILE  76   5.191  -0.722  -3.466
  565   1HD1  ILE  76          HD11      ILE  76   3.409  -2.546  -1.513
  566   2HD1  ILE  76          HD12      ILE  76   1.922  -3.494  -1.541
  567   3HD1  ILE  76          HD13      ILE  76   1.888  -1.816  -1.000
  568    H    ASP  77           HN       ASP  77   0.521  -1.400  -5.745
  569    HA   ASP  77           HA       ASP  77   0.206   1.527  -5.534
  570   1HB   ASP  77          HB2       ASP  77  -0.414   0.467  -7.724
  571   2HB   ASP  77          HB1       ASP  77  -1.649  -0.456  -6.876
  572    H    TYR  78           HN       TYR  78  -1.493   2.354  -4.246
  573    HA   TYR  78           HA       TYR  78  -1.972   1.128  -1.831
  574   1HB   TYR  78          HB2       TYR  78  -2.388   3.527  -2.272
  575   2HB   TYR  78          HB1       TYR  78  -3.816   3.094  -3.205
  576    HD1  TYR  78           HD1      TYR  78  -2.533   1.881   0.088
  577    HD2  TYR  78           HD2      TYR  78  -5.691   3.789  -2.030
  578    HE1  TYR  78           HE1      TYR  78  -3.879   1.919   2.143
  579    HE2  TYR  78           HE2      TYR  78  -7.048   3.830   0.020
  580    HH   TYR  78           HH       TYR  78  -7.021   3.525   2.256
  581    H    GLY  79           HN       GLY  79  -3.761   0.787  -4.826
  582   1HA   GLY  79          HA2       GLY  79  -6.130  -0.330  -3.940
  583   2HA   GLY  79          HA1       GLY  79  -5.355  -0.740  -5.462
  584    H    GLU  80           HN       GLU  80  -3.079  -2.023  -4.628
  585    HA   GLU  80           HA       GLU  80  -4.199  -4.520  -3.655
  586   1HB   GLU  80          HB2       GLU  80  -1.949  -5.436  -4.267
  587   2HB   GLU  80          HB1       GLU  80  -2.826  -4.697  -5.601
  588   1HG   GLU  80          HG2       GLU  80  -1.492  -2.638  -5.275
  589   2HG   GLU  80          HG1       GLU  80  -0.558  -3.484  -4.042
  590    H    PHE  81           HN       PHE  81  -1.975  -2.037  -2.631
  591    HA   PHE  81           HA       PHE  81  -0.647  -3.328  -0.561
  592   1HB   PHE  81          HB2       PHE  81  -0.013  -1.116  -1.394
  593   2HB   PHE  81          HB1       PHE  81  -1.498  -0.431  -0.747
  594    HD1  PHE  81           HD1      PHE  81  -0.847   1.068   0.878
  595    HD2  PHE  81           HD2      PHE  81   0.922  -2.803   0.804
  596    HE1  PHE  81           HE1      PHE  81   0.303   1.556   2.997
  597    HE2  PHE  81           HE2      PHE  81   2.073  -2.321   2.925
  598    HZ   PHE  81           HZ       PHE  81   1.764  -0.139   4.023
  599    H    ILE  82           HN       ILE  82  -3.939  -2.320  -0.747
  600    HA   ILE  82           HA       ILE  82  -4.571  -1.880   1.928
  601    HB   ILE  82           HB       ILE  82  -6.137  -1.456   0.079
  602   1HG1  ILE  82          HG12      ILE  82  -8.187  -2.313   1.197
  603   2HG1  ILE  82          HG11      ILE  82  -7.178  -3.356   2.194
  604   1HG2  ILE  82          HG21      ILE  82  -5.777  -3.355  -1.316
  605   2HG2  ILE  82          HG22      ILE  82  -7.464  -3.383  -0.803
  606   3HG2  ILE  82          HG23      ILE  82  -6.292  -4.460  -0.042
  607   1HD1  ILE  82          HD11      ILE  82  -6.022  -1.198   2.939
  608   2HD1  ILE  82          HD12      ILE  82  -7.643  -1.529   3.552
  609   3HD1  ILE  82          HD13      ILE  82  -7.416  -0.374   2.240
  610    H    ALA  83           HN       ALA  83  -3.811  -4.830   0.293
  611    HA   ALA  83           HA       ALA  83  -5.094  -6.747   1.809
  612   1HB   ALA  83          HB1       ALA  83  -2.475  -6.713   0.370
  613   2HB   ALA  83          HB2       ALA  83  -3.956  -7.590  -0.014
  614   3HB   ALA  83          HB3       ALA  83  -2.941  -8.119   1.328
  615    H    ALA  84           HN       ALA  84  -1.812  -5.469   2.398
  616    HA   ALA  84           HA       ALA  84  -2.233  -5.934   5.266
  617   1HB   ALA  84          HB1       ALA  84   0.060  -6.808   5.476
  618   2HB   ALA  84          HB2       ALA  84   0.217  -6.770   3.720
  619   3HB   ALA  84          HB3       ALA  84  -0.966  -7.837   4.477
  620    H    THR  85           HN       THR  85  -2.113  -3.993   6.176
  621    HA   THR  85           HA       THR  85  -0.037  -2.128   5.229
  622    HB   THR  85           HB       THR  85  -2.274  -1.282   4.751
  623    HG1  THR  85           HG1      THR  85  -0.551   0.127   5.611
  624   1HG2  THR  85          HG21      THR  85  -3.930  -1.888   6.110
  625   2HG2  THR  85          HG22      THR  85  -3.405  -0.539   7.118
  626   3HG2  THR  85          HG23      THR  85  -2.840  -2.172   7.467
  627    H    VAL  86           HN       VAL  86   0.907  -0.724   6.840
  628    HA   VAL  86           HA       VAL  86   1.052  -2.034   9.470
  629    HB   VAL  86           HB       VAL  86   3.043  -0.145   8.207
  630   1HG1  VAL  86          HG11      VAL  86   4.427  -0.482  10.036
  631   2HG1  VAL  86          HG12      VAL  86   3.581  -1.947  10.534
  632   3HG1  VAL  86          HG13      VAL  86   2.832  -0.369  10.780
  633   1HG2  VAL  86          HG21      VAL  86   3.163  -2.096   6.919
  634   2HG2  VAL  86          HG22      VAL  86   2.906  -3.142   8.316
  635   3HG2  VAL  86          HG23      VAL  86   4.438  -2.289   8.122
  636    H    HIS  87           HN       HIS  87   0.281  -1.019  11.198
  637    HA   HIS  87           HA       HIS  87   0.322   1.861  11.407
  638   1HB   HIS  87          HB2       HIS  87  -2.115   2.047  11.845
  639   2HB   HIS  87          HB1       HIS  87  -1.756   1.577  10.188
  640    HD1  HIS  87           HD1      HIS  87  -2.437  -0.325  13.427
  641    HD2  HIS  87           HD2      HIS  87  -3.436  -0.369   9.394
  642    HE1  HIS  87           HE1      HIS  87  -4.014  -2.263  13.145
  643    HE2  HIS  87           HE2      HIS  87  -4.539  -2.321  10.682
  Start of MODEL    3
    1   1H    HIS   1           HT1      HIS   1 -26.794 -12.936  -2.485
    2   2H    HIS   1           HT2      HIS   1 -25.227 -13.122  -1.875
    3   3H    HIS   1           HT3      HIS   1 -25.854 -11.573  -2.133
    4    HA   HIS   1           HA       HIS   1 -27.683 -12.741  -0.487
    5   1HB   HIS   1          HB2       HIS   1 -24.859 -13.438   0.353
    6   2HB   HIS   1          HB1       HIS   1 -26.279 -13.593   1.380
    7    HD1  HIS   1           HD1      HIS   1 -25.015 -16.145   1.197
    8    HD2  HIS   1           HD2      HIS   1 -27.451 -14.841  -1.908
    9    HE1  HIS   1           HE1      HIS   1 -25.691 -18.223  -0.047
   10    HE2  HIS   1           HE2      HIS   1 -27.099 -17.402  -1.967
   11    H    SER   2           HN       SER   2 -24.546 -11.081  -0.485
   12    HA   SER   2           HA       SER   2 -25.594  -9.120   1.424
   13   1HB   SER   2          HB2       SER   2 -22.773  -9.548   0.409
   14   2HB   SER   2          HB1       SER   2 -23.250  -8.363   1.624
   15    HG   SER   2           HG       SER   2 -23.572 -11.176   1.848
   16    H    SER   3           HN       SER   3 -26.810  -7.687   0.313
   17    HA   SER   3           HA       SER   3 -25.961  -6.672  -2.258
   18   1HB   SER   3          HB2       SER   3 -28.053  -5.354  -2.164
   19   2HB   SER   3          HB1       SER   3 -28.341  -7.068  -1.862
   20    HG   SER   3           HG       SER   3 -28.752  -6.654   0.216
   21    H    GLY   4           HN       GLY   4 -25.667  -5.785   1.051
   22   1HA   GLY   4          HA2       GLY   4 -23.736  -4.026   1.081
   23   2HA   GLY   4          HA1       GLY   4 -24.985  -3.013   0.372
   24    H    HIS   5           HN       HIS   5 -24.399  -5.121   3.179
   25    HA   HIS   5           HA       HIS   5 -26.003  -3.243   4.784
   26   1HB   HIS   5          HB2       HIS   5 -26.502  -5.162   6.283
   27   2HB   HIS   5          HB1       HIS   5 -27.128  -5.382   4.653
   28    HD1  HIS   5           HD1      HIS   5 -23.861  -6.288   6.407
   29    HD2  HIS   5           HD2      HIS   5 -26.697  -7.909   3.838
   30    HE1  HIS   5           HE1      HIS   5 -23.080  -8.631   5.935
   31    HE2  HIS   5           HE2      HIS   5 -24.857  -9.621   4.450
   32    H    ILE   6           HN       ILE   6 -25.381  -4.021   7.294
   33    HA   ILE   6           HA       ILE   6 -22.994  -2.716   7.846
   34    HB   ILE   6           HB       ILE   6 -24.358  -4.789   9.570
   35   1HG1  ILE   6          HG12      ILE   6 -25.904  -3.013   8.899
   36   2HG1  ILE   6          HG11      ILE   6 -25.509  -2.878  10.609
   37   1HG2  ILE   6          HG21      ILE   6 -22.956  -4.283  11.236
   38   2HG2  ILE   6          HG22      ILE   6 -22.988  -2.559  10.865
   39   3HG2  ILE   6          HG23      ILE   6 -21.913  -3.633   9.971
   40   1HD1  ILE   6          HD11      ILE   6 -23.990  -1.286   8.592
   41   2HD1  ILE   6          HD12      ILE   6 -24.273  -0.956  10.302
   42   3HD1  ILE   6          HD13      ILE   6 -25.582  -0.757   9.137
   43    H    ASP   7           HN       ASP   7 -21.191  -3.428   6.793
   44    HA   ASP   7           HA       ASP   7 -19.795  -5.645   7.884
   45   1HB   ASP   7          HB2       ASP   7 -21.300  -6.904   6.399
   46   2HB   ASP   7          HB1       ASP   7 -20.758  -5.941   5.028
   47    H    ASP   8           HN       ASP   8 -19.783  -4.362   4.571
   48    HA   ASP   8           HA       ASP   8 -17.649  -2.532   5.037
   49   1HB   ASP   8          HB2       ASP   8 -16.452  -4.741   5.133
   50   2HB   ASP   8          HB1       ASP   8 -16.947  -5.024   3.468
   51    H    ASP   9           HN       ASP   9 -20.286  -2.698   3.779
   52    HA   ASP   9           HA       ASP   9 -19.540  -1.900   1.041
   53   1HB   ASP   9          HB2       ASP   9 -22.099  -3.224   1.966
   54   2HB   ASP   9          HB1       ASP   9 -21.812  -2.620   0.338
   55    H    ASP  10           HN       ASP  10 -22.408  -1.569   3.139
   56    HA   ASP  10           HA       ASP  10 -22.934   1.068   2.170
   57   1HB   ASP  10          HB2       ASP  10 -24.744  -0.459   2.850
   58   2HB   ASP  10          HB1       ASP  10 -24.154  -0.413   4.508
   59    H    LYS  11           HN       LYS  11 -21.339  -0.284   4.946
   60    HA   LYS  11           HA       LYS  11 -21.178   2.266   6.314
   61   1HB   LYS  11          HB2       LYS  11 -19.920  -0.405   6.968
   62   2HB   LYS  11          HB1       LYS  11 -19.865   1.018   7.998
   63   1HG   LYS  11          HG2       LYS  11 -22.357  -0.461   7.175
   64   2HG   LYS  11          HG1       LYS  11 -21.554  -0.577   8.741
   65   1HD   LYS  11          HD2       LYS  11 -22.749   1.935   7.565
   66   2HD   LYS  11          HD1       LYS  11 -23.499   0.928   8.805
   67   1HE   LYS  11          HE2       LYS  11 -21.631   1.383  10.311
   68   2HE   LYS  11          HE1       LYS  11 -20.862   2.371   9.069
   69   1HZ   LYS  11          HZ1       LYS  11 -23.257   3.523   9.221
   70   2HZ   LYS  11          HZ2       LYS  11 -21.925   4.018  10.138
   71   3HZ   LYS  11          HZ3       LYS  11 -23.087   2.997  10.820
   72    H    HIS  12           HN       HIS  12 -19.489   0.648   3.900
   73    HA   HIS  12           HA       HIS  12 -16.907   1.836   4.520
   74   1HB   HIS  12          HB2       HIS  12 -17.056  -0.464   3.590
   75   2HB   HIS  12          HB1       HIS  12 -17.748   0.204   2.115
   76    HD1  HIS  12           HD1      HIS  12 -14.598   0.841   4.166
   77    HD2  HIS  12           HD2      HIS  12 -15.855   0.504   0.220
   78    HE1  HIS  12           HE1      HIS  12 -12.525   1.132   2.774
   79    HE2  HIS  12           HE2      HIS  12 -13.320   0.991   0.387
   80    H    MET  13           HN       MET  13 -19.648   2.346   2.435
   81    HA   MET  13           HA       MET  13 -18.375   4.159   0.639
   82   1HB   MET  13          HB2       MET  13 -20.421   2.928   0.042
   83   2HB   MET  13          HB1       MET  13 -21.309   3.804   1.280
   84   1HG   MET  13          HG2       MET  13 -21.758   4.726  -0.907
   85   2HG   MET  13          HG1       MET  13 -20.905   5.898   0.095
   86   1HE   MET  13          HE1       MET  13 -21.317   6.257  -2.835
   87   2HE   MET  13          HE2       MET  13 -19.778   6.440  -3.678
   88   3HE   MET  13          HE3       MET  13 -20.105   7.384  -2.224
   89    H    ALA  14           HN       ALA  14 -20.093   4.473   3.679
   90    HA   ALA  14           HA       ALA  14 -20.593   7.212   3.696
   91   1HB   ALA  14          HB1       ALA  14 -20.860   7.032   6.037
   92   2HB   ALA  14          HB2       ALA  14 -19.775   5.645   6.131
   93   3HB   ALA  14          HB3       ALA  14 -21.359   5.476   5.375
   94    H    GLU  15           HN       GLU  15 -17.641   5.445   4.115
   95    HA   GLU  15           HA       GLU  15 -16.202   7.826   5.004
   96   1HB   GLU  15          HB2       GLU  15 -15.261   4.974   4.668
   97   2HB   GLU  15          HB1       GLU  15 -14.293   6.293   5.312
   98   1HG   GLU  15          HG2       GLU  15 -15.837   6.522   7.184
   99   2HG   GLU  15          HG1       GLU  15 -16.822   5.211   6.535
  100    H    ARG  16           HN       ARG  16 -14.890   5.314   2.959
  101    HA   ARG  16           HA       ARG  16 -14.948   6.867   0.560
  102   1HB   ARG  16          HB2       ARG  16 -12.519   7.139   0.347
  103   2HB   ARG  16          HB1       ARG  16 -13.155   8.044   1.711
  104   1HG   ARG  16          HG2       ARG  16 -12.366   6.329   3.239
  105   2HG   ARG  16          HG1       ARG  16 -11.773   5.373   1.879
  106   1HD   ARG  16          HD2       ARG  16 -10.266   7.234   1.274
  107   2HD   ARG  16          HD1       ARG  16 -10.819   8.116   2.696
  108    HE   ARG  16           HE       ARG  16  -8.819   6.150   2.642
  109   1HH1  ARG  16          HH11      ARG  16 -11.580   7.093   4.553
  110   2HH1  ARG  16          HH12      ARG  16 -10.940   6.445   6.025
  111   1HH2  ARG  16          HH21      ARG  16  -7.973   5.301   4.576
  112   2HH2  ARG  16          HH22      ARG  16  -8.891   5.426   6.039
  113    H    LEU  17           HN       LEU  17 -14.610   5.617  -1.220
  114    HA   LEU  17           HA       LEU  17 -14.154   2.771  -0.732
  115   1HB   LEU  17          HB2       LEU  17 -16.145   3.369  -1.999
  116   2HB   LEU  17          HB1       LEU  17 -15.169   4.239  -3.168
  117    HG   LEU  17           HG       LEU  17 -14.104   2.115  -3.842
  118   1HD1  LEU  17          HD11      LEU  17 -14.413   0.950  -1.681
  119   2HD1  LEU  17          HD12      LEU  17 -14.944   0.001  -3.070
  120   3HD1  LEU  17          HD13      LEU  17 -16.132   0.803  -2.043
  121   1HD2  LEU  17          HD21      LEU  17 -16.795   2.939  -4.303
  122   2HD2  LEU  17          HD22      LEU  17 -16.722   1.177  -4.323
  123   3HD2  LEU  17          HD23      LEU  17 -15.684   2.115  -5.397
  124    H    SER  18           HN       SER  18 -12.213   1.921  -1.061
  125    HA   SER  18           HA       SER  18 -10.428   3.231  -3.007
  126   1HB   SER  18          HB2       SER  18  -9.608   3.552  -0.731
  127   2HB   SER  18          HB1       SER  18  -9.690   1.816  -0.436
  128    HG   SER  18           HG       SER  18  -8.137   2.900  -2.531
  129    H    GLU  19           HN       GLU  19 -11.184   1.847  -4.676
  130    HA   GLU  19           HA       GLU  19 -10.794  -1.011  -4.383
  131   1HB   GLU  19          HB2       GLU  19 -11.624  -1.131  -6.715
  132   2HB   GLU  19          HB1       GLU  19 -12.729  -0.287  -5.641
  133   1HG   GLU  19          HG2       GLU  19 -11.961   1.851  -6.501
  134   2HG   GLU  19          HG1       GLU  19 -10.805   1.028  -7.547
  135    H    GLU  20           HN       GLU  20  -9.501   1.589  -6.439
  136    HA   GLU  20           HA       GLU  20  -7.314  -0.132  -7.289
  137   1HB   GLU  20          HB2       GLU  20  -8.036   2.698  -8.068
  138   2HB   GLU  20          HB1       GLU  20  -6.707   1.775  -8.758
  139   1HG   GLU  20          HG2       GLU  20  -9.628   1.070  -8.931
  140   2HG   GLU  20          HG1       GLU  20  -8.647   1.767 -10.219
  141    H    GLU  21           HN       GLU  21  -7.483   3.233  -6.093
  142    HA   GLU  21           HA       GLU  21  -5.681   2.849  -3.961
  143   1HB   GLU  21          HB2       GLU  21  -3.714   4.036  -4.888
  144   2HB   GLU  21          HB1       GLU  21  -4.014   2.495  -5.679
  145   1HG   GLU  21          HG2       GLU  21  -5.094   3.678  -7.539
  146   2HG   GLU  21          HG1       GLU  21  -4.732   5.214  -6.753
  147    H    ILE  22           HN       ILE  22  -7.556   4.776  -6.029
  148    HA   ILE  22           HA       ILE  22  -6.989   7.383  -5.326
  149    HB   ILE  22           HB       ILE  22  -9.763   6.269  -5.747
  150   1HG1  ILE  22          HG12      ILE  22  -7.771   7.262  -7.799
  151   2HG1  ILE  22          HG11      ILE  22  -8.194   5.573  -7.534
  152   1HG2  ILE  22          HG21      ILE  22  -8.839   8.877  -5.194
  153   2HG2  ILE  22          HG22      ILE  22 -10.468   8.370  -5.640
  154   3HG2  ILE  22          HG23      ILE  22  -9.320   8.846  -6.891
  155   1HD1  ILE  22          HD11      ILE  22 -10.442   5.968  -8.267
  156   2HD1  ILE  22          HD12      ILE  22  -9.323   6.596  -9.478
  157   3HD1  ILE  22          HD13      ILE  22 -10.144   7.702  -8.377
  158    H    GLY  23           HN       GLY  23  -8.188   4.925  -3.267
  159   1HA   GLY  23          HA2       GLY  23  -9.728   6.548  -1.510
  160   2HA   GLY  23          HA1       GLY  23  -9.095   4.952  -1.153
  161    H    GLY  24           HN       GLY  24  -6.590   4.985  -0.832
  162   1HA   GLY  24          HA2       GLY  24  -6.113   7.016   1.218
  163   2HA   GLY  24          HA1       GLY  24  -5.228   5.513   1.025
  164    H    LEU  25           HN       LEU  25  -5.357   6.639  -2.006
  165    HA   LEU  25           HA       LEU  25  -2.684   7.240  -2.254
  166   1HB   LEU  25          HB2       LEU  25  -4.133   6.737  -4.151
  167   2HB   LEU  25          HB1       LEU  25  -4.969   8.262  -3.940
  168    HG   LEU  25           HG       LEU  25  -2.020   8.237  -4.501
  169   1HD1  LEU  25          HD11      LEU  25  -2.242   7.711  -6.669
  170   2HD1  LEU  25          HD12      LEU  25  -3.771   8.578  -6.821
  171   3HD1  LEU  25          HD13      LEU  25  -3.747   6.940  -6.168
  172   1HD2  LEU  25          HD21      LEU  25  -3.886  10.212  -5.661
  173   2HD2  LEU  25          HD22      LEU  25  -2.281  10.438  -4.966
  174   3HD2  LEU  25          HD23      LEU  25  -3.682  10.265  -3.910
  175    H    LYS  26           HN       LYS  26  -5.300   9.349  -1.303
  176    HA   LYS  26           HA       LYS  26  -3.616  11.711  -1.470
  177   1HB   LYS  26          HB2       LYS  26  -6.495  11.348  -0.644
  178   2HB   LYS  26          HB1       LYS  26  -5.668  12.898  -0.655
  179   1HG   LYS  26          HG2       LYS  26  -6.952  12.745  -2.646
  180   2HG   LYS  26          HG1       LYS  26  -5.255  12.580  -3.095
  181   1HD   LYS  26          HD2       LYS  26  -5.531  10.141  -3.194
  182   2HD   LYS  26          HD1       LYS  26  -7.234  10.324  -2.768
  183   1HE   LYS  26          HE2       LYS  26  -5.902  11.455  -5.227
  184   2HE   LYS  26          HE1       LYS  26  -6.919  10.016  -5.181
  185   1HZ   LYS  26          HZ1       LYS  26  -8.637  11.641  -4.159
  186   2HZ   LYS  26          HZ2       LYS  26  -8.393  11.634  -5.832
  187   3HZ   LYS  26          HZ3       LYS  26  -7.686  12.840  -4.881
  188    H    GLU  27           HN       GLU  27  -5.271   9.847   1.079
  189    HA   GLU  27           HA       GLU  27  -4.138  11.555   3.126
  190   1HB   GLU  27          HB2       GLU  27  -6.421  10.785   3.376
  191   2HB   GLU  27          HB1       GLU  27  -5.891   9.109   3.314
  192   1HG   GLU  27          HG2       GLU  27  -6.384   9.797   5.590
  193   2HG   GLU  27          HG1       GLU  27  -4.678   9.396   5.399
  194    H    LEU  28           HN       LEU  28  -4.211   7.999   2.885
  195    HA   LEU  28           HA       LEU  28  -2.014   7.719   4.661
  196   1HB   LEU  28          HB2       LEU  28  -3.284   5.686   2.835
  197   2HB   LEU  28          HB1       LEU  28  -2.180   5.325   4.148
  198    HG   LEU  28           HG       LEU  28  -4.919   6.562   4.456
  199   1HD1  LEU  28          HD11      LEU  28  -4.658   4.079   5.782
  200   2HD1  LEU  28          HD12      LEU  28  -4.102   3.859   4.122
  201   3HD1  LEU  28          HD13      LEU  28  -5.716   4.497   4.435
  202   1HD2  LEU  28          HD21      LEU  28  -4.159   5.625   6.903
  203   2HD2  LEU  28          HD22      LEU  28  -4.053   7.307   6.384
  204   3HD2  LEU  28          HD23      LEU  28  -2.640   6.257   6.268
  205    H    PHE  29           HN       PHE  29  -2.254   6.636   1.277
  206    HA   PHE  29           HA       PHE  29   0.250   5.846   0.776
  207   1HB   PHE  29          HB2       PHE  29  -1.699   5.925  -0.813
  208   2HB   PHE  29          HB1       PHE  29  -1.259   7.593  -1.158
  209    HD1  PHE  29           HD1      PHE  29   1.200   4.931  -0.541
  210    HD2  PHE  29           HD2      PHE  29  -0.815   7.273  -3.464
  211    HE1  PHE  29           HE1      PHE  29   2.771   4.138  -2.250
  212    HE2  PHE  29           HE2      PHE  29   0.755   6.485  -5.180
  213    HZ   PHE  29           HZ       PHE  29   2.554   4.914  -4.579
  214    H    LYS  30           HN       LYS  30  -0.747   9.279   0.567
  215    HA   LYS  30           HA       LYS  30   1.821  10.219  -0.167
  216   1HB   LYS  30          HB2       LYS  30  -0.479  11.659   1.163
  217   2HB   LYS  30          HB1       LYS  30   0.963  12.453   0.546
  218   1HG   LYS  30          HG2       LYS  30   0.437  11.682  -1.705
  219   2HG   LYS  30          HG1       LYS  30  -0.999  10.863  -1.092
  220   1HD   LYS  30          HD2       LYS  30  -1.634  12.976  -2.074
  221   2HD   LYS  30          HD1       LYS  30  -1.874  13.045  -0.328
  222   1HE   LYS  30          HE2       LYS  30  -0.867  15.104  -1.115
  223   2HE   LYS  30          HE1       LYS  30   0.270  14.222  -0.096
  224   1HZ   LYS  30          HZ1       LYS  30   1.379  13.418  -2.079
  225   2HZ   LYS  30          HZ2       LYS  30   1.337  15.108  -2.078
  226   3HZ   LYS  30          HZ3       LYS  30   0.277  14.238  -3.067
  227    H    MET  31           HN       MET  31   0.241   9.759   2.945
  228    HA   MET  31           HA       MET  31   2.317  10.992   4.475
  229   1HB   MET  31          HB2       MET  31  -0.003  10.829   5.286
  230   2HB   MET  31          HB1       MET  31   0.141   9.078   5.343
  231   1HG   MET  31          HG2       MET  31   1.882   9.270   7.038
  232   2HG   MET  31          HG1       MET  31   1.754  11.027   6.974
  233   1HE   MET  31          HE1       MET  31  -1.306  11.467   6.625
  234   2HE   MET  31          HE2       MET  31  -0.436  12.389   7.852
  235   3HE   MET  31          HE3       MET  31  -1.932  11.554   8.272
  236    H    ILE  32           HN       ILE  32   2.015   7.981   2.939
  237    HA   ILE  32           HA       ILE  32   3.830   6.612   4.765
  238    HB   ILE  32           HB       ILE  32   2.441   5.667   2.255
  239   1HG1  ILE  32          HG12      ILE  32   2.030   4.961   5.171
  240   2HG1  ILE  32          HG11      ILE  32   0.979   5.999   4.212
  241   1HG2  ILE  32          HG21      ILE  32   4.414   4.419   2.289
  242   2HG2  ILE  32          HG22      ILE  32   3.240   3.386   3.105
  243   3HG2  ILE  32          HG23      ILE  32   4.417   4.299   4.049
  244   1HD1  ILE  32          HD11      ILE  32   1.367   3.042   4.051
  245   2HD1  ILE  32          HD12      ILE  32   0.735   3.947   2.675
  246   3HD1  ILE  32          HD13      ILE  32  -0.124   3.969   4.216
  247    H    ASP  33           HN       ASP  33   3.712   7.820   1.454
  248    HA   ASP  33           HA       ASP  33   6.275   6.919   0.684
  249   1HB   ASP  33          HB2       ASP  33   4.501   7.628  -0.908
  250   2HB   ASP  33          HB1       ASP  33   4.717   9.291  -0.374
  251    H    THR  34           HN       THR  34   8.182   7.575   1.416
  252    HA   THR  34           HA       THR  34   8.503   9.714   3.221
  253    HB   THR  34           HB       THR  34  10.611   8.296   1.572
  254    HG1  THR  34           HG1      THR  34  10.818   7.001   3.438
  255   1HG2  THR  34          HG21      THR  34  12.231   8.992   3.094
  256   2HG2  THR  34          HG22      THR  34  11.029   9.556   4.255
  257   3HG2  THR  34          HG23      THR  34  11.291  10.445   2.755
  258    H    ASP  35           HN       ASP  35   8.167   9.640  -0.107
  259    HA   ASP  35           HA       ASP  35   9.524  12.203  -0.469
  260   1HB   ASP  35          HB2       ASP  35   8.618  10.126  -2.446
  261   2HB   ASP  35          HB1       ASP  35   9.205  11.714  -2.918
  262    H    ASN  36           HN       ASN  36   6.425  10.804  -0.170
  263    HA   ASN  36           HA       ASN  36   4.315  11.617  -0.472
  264   1HB   ASN  36          HB2       ASN  36   5.349  13.284   1.156
  265   2HB   ASN  36          HB1       ASN  36   5.597  14.346  -0.225
  266   1HD2  ASN  36          HD21      ASN  36   3.547  13.535   2.243
  267   2HD2  ASN  36          HD22      ASN  36   2.101  14.282   1.661
  268    H    SER  37           HN       SER  37   6.380  11.514  -2.755
  269    HA   SER  37           HA       SER  37   5.508  13.503  -4.632
  270   1HB   SER  37          HB2       SER  37   6.850  12.178  -6.261
  271   2HB   SER  37          HB1       SER  37   7.762  12.584  -4.808
  272    HG   SER  37           HG       SER  37   8.148  10.479  -4.994
  273    H    GLY  38           HN       GLY  38   4.451  10.450  -3.566
  274   1HA   GLY  38          HA2       GLY  38   2.151   9.825  -4.075
  275   2HA   GLY  38          HA1       GLY  38   2.401  10.437  -5.703
  276    H    THR  39           HN       THR  39   5.089   8.761  -4.602
  277    HA   THR  39           HA       THR  39   4.191   6.118  -5.372
  278    HB   THR  39           HB       THR  39   5.974   5.884  -7.110
  279    HG1  THR  39           HG1      THR  39   6.395   8.515  -6.389
  280   1HG2  THR  39          HG21      THR  39   4.780   6.742  -8.898
  281   2HG2  THR  39          HG22      THR  39   4.194   8.123  -7.972
  282   3HG2  THR  39          HG23      THR  39   3.550   6.512  -7.655
  283    H    ILE  40           HN       ILE  40   5.298   4.601  -4.244
  284    HA   ILE  40           HA       ILE  40   7.631   5.541  -2.719
  285    HB   ILE  40           HB       ILE  40   5.780   3.193  -2.280
  286   1HG1  ILE  40          HG12      ILE  40   6.307   5.594  -0.530
  287   2HG1  ILE  40          HG11      ILE  40   4.983   5.517  -1.691
  288   1HG2  ILE  40          HG21      ILE  40   7.631   2.255  -1.380
  289   2HG2  ILE  40          HG22      ILE  40   7.209   3.288  -0.014
  290   3HG2  ILE  40          HG23      ILE  40   8.443   3.805  -1.162
  291   1HD1  ILE  40          HD11      ILE  40   3.757   4.644  -0.069
  292   2HD1  ILE  40          HD12      ILE  40   5.166   4.440   0.972
  293   3HD1  ILE  40          HD13      ILE  40   4.746   3.190  -0.200
  294    H    THR  41           HN       THR  41   9.611   4.719  -3.069
  295    HA   THR  41           HA       THR  41   9.844   2.439  -4.920
  296    HB   THR  41           HB       THR  41  12.063   3.332  -5.505
  297    HG1  THR  41           HG1      THR  41  11.784   5.791  -4.467
  298   1HG2  THR  41          HG21      THR  41   9.949   4.152  -6.667
  299   2HG2  THR  41          HG22      THR  41  11.415   5.115  -6.850
  300   3HG2  THR  41          HG23      THR  41  10.158   5.627  -5.725
  301    H    PHE  42           HN       PHE  42  11.301   0.798  -4.476
  302    HA   PHE  42           HA       PHE  42  11.547  -0.309  -2.073
  303   1HB   PHE  42          HB2       PHE  42  12.260  -1.459  -4.053
  304   2HB   PHE  42          HB1       PHE  42  13.564  -0.309  -4.318
  305    HD1  PHE  42           HD1      PHE  42  15.587  -1.320  -4.065
  306    HD2  PHE  42           HD2      PHE  42  12.454  -2.288  -1.358
  307    HE1  PHE  42           HE1      PHE  42  17.123  -2.764  -2.810
  308    HE2  PHE  42           HE2      PHE  42  13.984  -3.732  -0.099
  309    HZ   PHE  42           HZ       PHE  42  16.328  -3.978  -0.816
  310    H    ASP  43           HN       ASP  43  13.802   2.100  -3.375
  311    HA   ASP  43           HA       ASP  43  15.783   2.065  -1.481
  312   1HB   ASP  43          HB2       ASP  43  15.838   3.507  -3.468
  313   2HB   ASP  43          HB1       ASP  43  14.572   4.517  -2.777
  314    H    GLU  44           HN       GLU  44  12.716   3.844  -1.318
  315    HA   GLU  44           HA       GLU  44  13.256   4.630   1.428
  316   1HB   GLU  44          HB2       GLU  44  11.280   5.978   1.276
  317   2HB   GLU  44          HB1       GLU  44  12.190   6.195  -0.214
  318   1HG   GLU  44          HG2       GLU  44  10.699   4.777  -1.417
  319   2HG   GLU  44          HG1       GLU  44   9.874   4.301   0.066
  320    H    LEU  45           HN       LEU  45  11.370   2.297  -0.347
  321    HA   LEU  45           HA       LEU  45   9.340   1.597   1.282
  322   1HB   LEU  45          HB2       LEU  45   9.895   0.460  -0.846
  323   2HB   LEU  45          HB1       LEU  45  11.178  -0.409  -0.022
  324    HG   LEU  45           HG       LEU  45   9.498  -1.452   1.461
  325   1HD1  LEU  45          HD11      LEU  45   7.846   0.585   0.602
  326   2HD1  LEU  45          HD12      LEU  45   7.363  -0.828   1.541
  327   3HD1  LEU  45          HD13      LEU  45   7.211  -0.842  -0.216
  328   1HD2  LEU  45          HD21      LEU  45   9.768  -3.036  -0.076
  329   2HD2  LEU  45          HD22      LEU  45   9.783  -1.866  -1.396
  330   3HD2  LEU  45          HD23      LEU  45   8.249  -2.474  -0.772
  331    H    LYS  46           HN       LYS  46  12.634   0.300   1.584
  332    HA   LYS  46           HA       LYS  46  12.332  -1.266   3.810
  333   1HB   LYS  46          HB2       LYS  46  14.755  -0.813   4.248
  334   2HB   LYS  46          HB1       LYS  46  14.388  -1.299   2.600
  335   1HG   LYS  46          HG2       LYS  46  14.492   1.058   1.904
  336   2HG   LYS  46          HG1       LYS  46  14.926   1.506   3.554
  337   1HD   LYS  46          HD2       LYS  46  16.503  -0.344   1.765
  338   2HD   LYS  46          HD1       LYS  46  16.896   1.344   2.094
  339   1HE   LYS  46          HE2       LYS  46  16.767  -0.874   4.136
  340   2HE   LYS  46          HE1       LYS  46  18.239  -0.175   3.464
  341   1HZ   LYS  46          HZ1       LYS  46  17.543   1.978   4.404
  342   2HZ   LYS  46          HZ2       LYS  46  17.795   0.800   5.591
  343   3HZ   LYS  46          HZ3       LYS  46  16.221   1.219   5.137
  344    H    ASP  47           HN       ASP  47  13.418   2.138   3.873
  345    HA   ASP  47           HA       ASP  47  13.497   2.465   6.617
  346   1HB   ASP  47          HB2       ASP  47  14.463   4.076   5.062
  347   2HB   ASP  47          HB1       ASP  47  12.856   4.523   4.497
  348    H    GLY  48           HN       GLY  48  10.758   2.073   4.623
  349   1HA   GLY  48          HA2       GLY  48   8.884   3.582   6.147
  350   2HA   GLY  48          HA1       GLY  48   8.497   2.290   5.014
  351    H    LEU  49           HN       LEU  49   9.656   0.129   6.001
  352    HA   LEU  49           HA       LEU  49   8.173  -0.332   8.462
  353   1HB   LEU  49          HB2       LEU  49   8.079  -1.871   6.436
  354   2HB   LEU  49          HB1       LEU  49   9.715  -2.354   6.845
  355    HG   LEU  49           HG       LEU  49   8.932  -3.174   9.024
  356   1HD1  LEU  49          HD11      LEU  49   6.682  -1.585   8.401
  357   2HD1  LEU  49          HD12      LEU  49   6.995  -2.511   9.871
  358   3HD1  LEU  49          HD13      LEU  49   6.131  -3.256   8.525
  359   1HD2  LEU  49          HD21      LEU  49   7.295  -4.950   8.003
  360   2HD2  LEU  49          HD22      LEU  49   8.993  -4.920   7.529
  361   3HD2  LEU  49          HD23      LEU  49   7.771  -4.205   6.478
  362    H    LYS  50           HN       LYS  50  11.284   0.443   7.454
  363    HA   LYS  50           HA       LYS  50  12.743  -0.946   9.496
  364   1HB   LYS  50          HB2       LYS  50  13.742  -0.324   7.304
  365   2HB   LYS  50          HB1       LYS  50  13.614   1.367   7.757
  366   1HG   LYS  50          HG2       LYS  50  15.134  -0.540   9.483
  367   2HG   LYS  50          HG1       LYS  50  15.870   0.131   8.029
  368   1HD   LYS  50          HD2       LYS  50  15.538   2.381   8.856
  369   2HD   LYS  50          HD1       LYS  50  14.676   1.766  10.267
  370   1HE   LYS  50          HE2       LYS  50  16.984   2.360  10.814
  371   2HE   LYS  50          HE1       LYS  50  16.692   0.634  11.025
  372   1HZ   LYS  50          HZ1       LYS  50  17.854   0.143   9.056
  373   2HZ   LYS  50          HZ2       LYS  50  18.819   1.264   9.877
  374   3HZ   LYS  50          HZ3       LYS  50  17.884   1.760   8.558
  375    H    ARG  51           HN       ARG  51  11.142   2.089   9.127
  376    HA   ARG  51           HA       ARG  51  12.289   3.756  10.950
  377   1HB   ARG  51          HB2       ARG  51  10.371   4.439   9.663
  378   2HB   ARG  51          HB1       ARG  51   9.348   3.262  10.473
  379   1HG   ARG  51          HG2       ARG  51   8.912   5.491  11.306
  380   2HG   ARG  51          HG1       ARG  51   9.608   4.484  12.576
  381   1HD   ARG  51          HD2       ARG  51  11.790   5.496  12.204
  382   2HD   ARG  51          HD1       ARG  51  11.132   6.467  10.888
  383    HE   ARG  51           HE       ARG  51  10.483   7.964  12.466
  384   1HH1  ARG  51          HH11      ARG  51  10.578   4.817  13.971
  385   2HH1  ARG  51          HH12      ARG  51  10.106   5.410  15.528
  386   1HH2  ARG  51          HH21      ARG  51   9.864   8.745  14.512
  387   2HH2  ARG  51          HH22      ARG  51   9.699   7.640  15.835
  388    H    VAL  52           HN       VAL  52  10.457   0.848  11.669
  389    HA   VAL  52           HA       VAL  52  10.145   1.434  14.461
  390    HB   VAL  52           HB       VAL  52   9.364  -0.865  14.694
  391   1HG1  VAL  52          HG11      VAL  52   7.720  -0.650  12.533
  392   2HG1  VAL  52          HG12      VAL  52   8.302   1.005  12.709
  393   3HG1  VAL  52          HG13      VAL  52   7.501   0.204  14.060
  394   1HG2  VAL  52          HG21      VAL  52  10.425  -2.367  13.402
  395   2HG2  VAL  52          HG22      VAL  52  10.762  -1.188  12.133
  396   3HG2  VAL  52          HG23      VAL  52   9.182  -1.967  12.217
  397    H    GLY  53           HN       GLY  53  12.520  -0.239  12.506
  398   1HA   GLY  53          HA2       GLY  53  14.602  -1.056  13.014
  399   2HA   GLY  53          HA1       GLY  53  14.534  -0.051  14.453
  400    H    SER  54           HN       SER  54  12.629  -2.895  13.433
  401    HA   SER  54           HA       SER  54  12.990  -4.019  16.091
  402   1HB   SER  54          HB2       SER  54  10.752  -4.076  15.113
  403   2HB   SER  54          HB1       SER  54  11.357  -4.995  13.734
  404    HG   SER  54           HG       SER  54  12.068  -6.240  15.985
  405    H    GLU  55           HN       GLU  55  12.677  -6.177  13.399
  406    HA   GLU  55           HA       GLU  55  15.504  -6.919  13.525
  407   1HB   GLU  55          HB2       GLU  55  13.221  -8.857  13.945
  408   2HB   GLU  55          HB1       GLU  55  14.905  -9.314  13.738
  409   1HG   GLU  55          HG2       GLU  55  15.487  -8.127  15.785
  410   2HG   GLU  55          HG1       GLU  55  13.802  -7.650  15.991
  411    H    LEU  56           HN       LEU  56  14.205  -5.541  11.497
  412    HA   LEU  56           HA       LEU  56  13.242  -7.245   9.444
  413   1HB   LEU  56          HB2       LEU  56  14.323  -4.438   9.367
  414   2HB   LEU  56          HB1       LEU  56  13.691  -5.266   7.955
  415    HG   LEU  56           HG       LEU  56  11.507  -5.506   9.224
  416   1HD1  LEU  56          HD11      LEU  56  12.952  -4.722  11.388
  417   2HD1  LEU  56          HD12      LEU  56  11.194  -4.641  11.266
  418   3HD1  LEU  56          HD13      LEU  56  12.169  -3.212  10.921
  419   1HD2  LEU  56          HD21      LEU  56  10.892  -3.793   7.960
  420   2HD2  LEU  56          HD22      LEU  56  12.589  -3.360   7.759
  421   3HD2  LEU  56          HD23      LEU  56  11.650  -2.657   9.075
  422    H    MET  57           HN       MET  57  14.207  -7.628   7.400
  423    HA   MET  57           HA       MET  57  17.140  -7.733   7.454
  424   1HB   MET  57          HB2       MET  57  16.981  -9.891   6.200
  425   2HB   MET  57          HB1       MET  57  16.401  -9.980   7.857
  426   1HG   MET  57          HG2       MET  57  14.104  -9.857   7.078
  427   2HG   MET  57          HG1       MET  57  14.664  -9.715   5.414
  428   1HE   MET  57          HE1       MET  57  14.737 -11.735   8.605
  429   2HE   MET  57          HE2       MET  57  16.312 -12.356   8.113
  430   3HE   MET  57          HE3       MET  57  14.903 -13.417   8.102
  431    H    GLU  58           HN       GLU  58  18.034  -6.729   5.807
  432    HA   GLU  58           HA       GLU  58  16.664  -5.311   3.866
  433   1HB   GLU  58          HB2       GLU  58  19.504  -6.343   3.820
  434   2HB   GLU  58          HB1       GLU  58  18.863  -5.176   2.673
  435   1HG   GLU  58          HG2       GLU  58  20.117  -4.041   4.379
  436   2HG   GLU  58          HG1       GLU  58  18.410  -3.628   4.525
  437    H    SER  59           HN       SER  59  17.045  -8.614   4.044
  438    HA   SER  59           HA       SER  59  17.126  -9.145   1.203
  439   1HB   SER  59          HB2       SER  59  16.727 -11.005   3.557
  440   2HB   SER  59          HB1       SER  59  16.940 -11.520   1.883
  441    HG   SER  59           HG       SER  59  19.000 -10.521   1.927
  442    H    GLU  60           HN       GLU  60  14.711  -9.258   3.792
  443    HA   GLU  60           HA       GLU  60  12.662 -10.298   2.076
  444   1HB   GLU  60          HB2       GLU  60  12.704 -10.749   4.511
  445   2HB   GLU  60          HB1       GLU  60  12.443  -9.038   4.819
  446   1HG   GLU  60          HG2       GLU  60  10.373 -10.208   5.076
  447   2HG   GLU  60          HG1       GLU  60  10.280  -9.192   3.639
  448    H    ILE  61           HN       ILE  61  13.963  -7.217   2.797
  449    HA   ILE  61           HA       ILE  61  11.663  -5.628   2.294
  450    HB   ILE  61           HB       ILE  61  14.531  -4.785   1.891
  451   1HG1  ILE  61          HG12      ILE  61  12.872  -4.710   4.425
  452   2HG1  ILE  61          HG11      ILE  61  14.204  -5.820   4.123
  453   1HG2  ILE  61          HG21      ILE  61  13.476  -2.928   1.212
  454   2HG2  ILE  61          HG22      ILE  61  13.120  -2.677   2.920
  455   3HG2  ILE  61          HG23      ILE  61  11.930  -3.454   1.876
  456   1HD1  ILE  61          HD11      ILE  61  15.304  -4.247   5.323
  457   2HD1  ILE  61          HD12      ILE  61  14.244  -2.940   4.795
  458   3HD1  ILE  61          HD13      ILE  61  15.503  -3.546   3.718
  459    H    LYS  62           HN       LYS  62  14.291  -6.837   0.255
  460    HA   LYS  62           HA       LYS  62  13.278  -5.481  -2.084
  461   1HB   LYS  62          HB2       LYS  62  15.099  -6.556  -3.277
  462   2HB   LYS  62          HB1       LYS  62  15.698  -5.858  -1.781
  463   1HG   LYS  62          HG2       LYS  62  16.759  -7.888  -1.799
  464   2HG   LYS  62          HG1       LYS  62  15.331  -8.256  -0.834
  465   1HD   LYS  62          HD2       LYS  62  15.677 -10.023  -2.436
  466   2HD   LYS  62          HD1       LYS  62  14.229  -9.122  -2.881
  467   1HE   LYS  62          HE2       LYS  62  15.523  -7.871  -4.543
  468   2HE   LYS  62          HE1       LYS  62  16.968  -8.779  -4.100
  469   1HZ   LYS  62          HZ1       LYS  62  14.577 -10.262  -4.928
  470   2HZ   LYS  62          HZ2       LYS  62  16.209 -10.661  -5.117
  471   3HZ   LYS  62          HZ3       LYS  62  15.504  -9.497  -6.120
  472    H    ASP  63           HN       ASP  63  13.086  -8.642  -0.624
  473    HA   ASP  63           HA       ASP  63  11.953  -9.950  -2.901
  474   1HB   ASP  63          HB2       ASP  63  13.146 -11.187  -1.117
  475   2HB   ASP  63          HB1       ASP  63  11.873 -10.753   0.020
  476    H    LEU  64           HN       LEU  64  10.743  -8.113  -0.202
  477    HA   LEU  64           HA       LEU  64   7.999  -8.890  -0.632
  478   1HB   LEU  64          HB2       LEU  64   7.467  -7.596   1.233
  479   2HB   LEU  64          HB1       LEU  64   9.076  -8.198   1.596
  480    HG   LEU  64           HG       LEU  64   9.889  -5.916   0.659
  481   1HD1  LEU  64          HD11      LEU  64   7.028  -5.589   0.538
  482   2HD1  LEU  64          HD12      LEU  64   8.307  -4.535  -0.063
  483   3HD1  LEU  64          HD13      LEU  64   7.758  -4.390   1.606
  484   1HD2  LEU  64          HD21      LEU  64   8.458  -5.536   3.221
  485   2HD2  LEU  64          HD22      LEU  64  10.146  -5.239   2.807
  486   3HD2  LEU  64          HD23      LEU  64   9.592  -6.883   3.124
  487    H    MET  65           HN       MET  65  10.125  -6.224  -1.449
  488    HA   MET  65           HA       MET  65   8.220  -4.421  -2.437
  489   1HB   MET  65          HB2       MET  65  10.624  -3.918  -1.948
  490   2HB   MET  65          HB1       MET  65  11.062  -4.805  -3.399
  491   1HG   MET  65          HG2       MET  65   9.239  -2.419  -3.424
  492   2HG   MET  65          HG1       MET  65  10.987  -2.301  -3.600
  493   1HE   MET  65          HE1       MET  65   9.351  -1.625  -7.146
  494   2HE   MET  65          HE2       MET  65  10.746  -1.111  -6.197
  495   3HE   MET  65          HE3       MET  65   9.128  -1.030  -5.501
  496    H    ASP  66           HN       ASP  66  10.149  -6.904  -4.120
  497    HA   ASP  66           HA       ASP  66   8.941  -6.423  -6.657
  498   1HB   ASP  66          HB2       ASP  66  11.180  -7.425  -6.427
  499   2HB   ASP  66          HB1       ASP  66  10.465  -8.847  -5.676
  500    H    ALA  67           HN       ALA  67   8.223  -8.529  -3.961
  501    HA   ALA  67           HA       ALA  67   6.521 -10.356  -5.210
  502   1HB   ALA  67          HB1       ALA  67   6.387  -9.306  -2.387
  503   2HB   ALA  67          HB2       ALA  67   7.352 -10.672  -2.948
  504   3HB   ALA  67          HB3       ALA  67   5.591 -10.762  -2.983
  505    H    ALA  68           HN       ALA  68   6.032  -7.023  -4.487
  506    HA   ALA  68           HA       ALA  68   3.149  -7.308  -5.028
  507   1HB   ALA  68          HB1       ALA  68   4.473  -4.931  -3.746
  508   2HB   ALA  68          HB2       ALA  68   3.845  -6.300  -2.829
  509   3HB   ALA  68          HB3       ALA  68   2.753  -5.319  -3.807
  510    H    ASP  69           HN       ASP  69   5.750  -4.908  -5.496
  511    HA   ASP  69           HA       ASP  69   4.542  -3.450  -7.517
  512   1HB   ASP  69          HB2       ASP  69   6.453  -2.511  -6.528
  513   2HB   ASP  69          HB1       ASP  69   7.434  -3.941  -6.850
  514    H    ILE  70           HN       ILE  70   3.578  -4.514  -9.128
  515    HA   ILE  70           HA       ILE  70   4.912  -6.629 -10.580
  516    HB   ILE  70           HB       ILE  70   2.499  -6.789 -10.139
  517   1HG1  ILE  70          HG12      ILE  70   3.140  -6.495 -13.084
  518   2HG1  ILE  70          HG11      ILE  70   3.484  -7.918 -12.106
  519   1HG2  ILE  70          HG21      ILE  70   2.162  -4.272 -10.378
  520   2HG2  ILE  70          HG22      ILE  70   0.902  -5.319 -11.029
  521   3HG2  ILE  70          HG23      ILE  70   2.071  -4.568 -12.114
  522   1HD1  ILE  70          HD11      ILE  70   0.689  -6.899 -12.303
  523   2HD1  ILE  70          HD12      ILE  70   1.271  -8.533 -11.988
  524   3HD1  ILE  70          HD13      ILE  70   1.379  -7.856 -13.613
  525    H    ASP  71           HN       ASP  71   4.365  -3.226 -10.869
  526    HA   ASP  71           HA       ASP  71   4.738  -3.012 -13.675
  527   1HB   ASP  71          HB2       ASP  71   3.661  -1.271 -12.234
  528   2HB   ASP  71          HB1       ASP  71   5.246  -0.906 -11.561
  529    H    LYS  72           HN       LYS  72   6.801  -3.902 -11.246
  530    HA   LYS  72           HA       LYS  72   9.068  -3.804 -10.886
  531   1HB   LYS  72          HB2       LYS  72  10.278  -4.867 -12.848
  532   2HB   LYS  72          HB1       LYS  72   8.931  -5.764 -12.169
  533   1HG   LYS  72          HG2       LYS  72   8.726  -5.981 -14.490
  534   2HG   LYS  72          HG1       LYS  72   7.519  -4.780 -14.030
  535   1HD   LYS  72          HD2       LYS  72   9.054  -2.991 -14.714
  536   2HD   LYS  72          HD1       LYS  72  10.248  -4.202 -15.187
  537   1HE   LYS  72          HE2       LYS  72   9.005  -3.375 -17.122
  538   2HE   LYS  72          HE1       LYS  72   8.705  -5.091 -16.850
  539   1HZ   LYS  72          HZ1       LYS  72   6.624  -4.144 -17.286
  540   2HZ   LYS  72          HZ2       LYS  72   6.905  -2.812 -16.283
  541   3HZ   LYS  72          HZ3       LYS  72   6.654  -4.341 -15.605
  542    H    SER  73           HN       SER  73   8.098  -1.225 -11.638
  543    HA   SER  73           HA       SER  73  10.130  -0.155 -13.441
  544   1HB   SER  73          HB2       SER  73   8.939   1.983 -13.178
  545   2HB   SER  73          HB1       SER  73   7.834   0.690 -13.642
  546    HG   SER  73           HG       SER  73   6.933   1.876 -11.959
  547    H    GLY  74           HN       GLY  74   9.903  -0.875 -10.210
  548   1HA   GLY  74          HA2       GLY  74  11.849  -0.508  -8.813
  549   2HA   GLY  74          HA1       GLY  74  12.041   1.063  -9.583
  550    H    THR  75           HN       THR  75   9.024   1.330  -9.408
  551    HA   THR  75           HA       THR  75   8.903   2.128  -6.575
  552    HB   THR  75           HB       THR  75   8.913   4.077  -8.022
  553    HG1  THR  75           HG1      THR  75   7.523   4.210  -6.258
  554   1HG2  THR  75          HG21      THR  75   8.196   3.543 -10.123
  555   2HG2  THR  75          HG22      THR  75   6.770   4.357  -9.480
  556   3HG2  THR  75          HG23      THR  75   6.829   2.595  -9.538
  557    H    ILE  76           HN       ILE  76   6.440   2.403  -5.937
  558    HA   ILE  76           HA       ILE  76   4.696   0.466  -7.179
  559    HB   ILE  76           HB       ILE  76   6.025  -1.004  -5.765
  560   1HG1  ILE  76          HG12      ILE  76   3.261  -0.518  -4.626
  561   2HG1  ILE  76          HG11      ILE  76   3.625  -1.483  -6.052
  562   1HG2  ILE  76          HG21      ILE  76   5.866  -0.722  -3.266
  563   2HG2  ILE  76          HG22      ILE  76   5.243   0.900  -3.571
  564   3HG2  ILE  76          HG23      ILE  76   6.866   0.464  -4.106
  565   1HD1  ILE  76          HD11      ILE  76   4.355  -3.245  -4.838
  566   2HD1  ILE  76          HD12      ILE  76   3.259  -2.544  -3.647
  567   3HD1  ILE  76          HD13      ILE  76   4.992  -2.233  -3.542
  568    H    ASP  77           HN       ASP  77   2.564   0.753  -6.683
  569    HA   ASP  77           HA       ASP  77   1.927   2.887  -4.749
  570   1HB   ASP  77          HB2       ASP  77   0.676   2.422  -7.466
  571   2HB   ASP  77          HB1       ASP  77   0.079   3.572  -6.274
  572    H    TYR  78           HN       TYR  78  -0.484   2.847  -4.197
  573    HA   TYR  78           HA       TYR  78  -1.137   0.513  -2.874
  574   1HB   TYR  78          HB2       TYR  78  -2.706   2.890  -3.759
  575   2HB   TYR  78          HB1       TYR  78  -3.586   1.494  -3.152
  576    HD1  TYR  78           HD1      TYR  78  -4.477   2.660  -1.259
  577    HD2  TYR  78           HD2      TYR  78  -0.270   2.414  -1.838
  578    HE1  TYR  78           HE1      TYR  78  -4.125   3.414   1.050
  579    HE2  TYR  78           HE2      TYR  78   0.097   3.167   0.474
  580    HH   TYR  78           HH       TYR  78  -1.047   4.364   2.223
  581    H    GLY  79           HN       GLY  79  -1.908   1.461  -6.170
  582   1HA   GLY  79          HA2       GLY  79  -3.849  -0.470  -6.750
  583   2HA   GLY  79          HA1       GLY  79  -2.786   0.280  -7.930
  584    H    GLU  80           HN       GLU  80  -0.349  -0.709  -6.672
  585    HA   GLU  80           HA       GLU  80  -0.386  -3.375  -7.826
  586   1HB   GLU  80          HB2       GLU  80   1.915  -1.759  -6.715
  587   2HB   GLU  80          HB1       GLU  80   2.054  -3.269  -7.607
  588   1HG   GLU  80          HG2       GLU  80   1.091  -2.200  -9.577
  589   2HG   GLU  80          HG1       GLU  80   0.940  -0.688  -8.684
  590    H    PHE  81           HN       PHE  81   0.866  -1.939  -4.818
  591    HA   PHE  81           HA       PHE  81   1.515  -4.141  -3.379
  592   1HB   PHE  81          HB2       PHE  81   1.829  -1.887  -2.526
  593   2HB   PHE  81          HB1       PHE  81   0.090  -1.672  -2.370
  594    HD1  PHE  81           HD1      PHE  81   2.451  -4.379  -1.338
  595    HD2  PHE  81           HD2      PHE  81  -0.517  -1.561  -0.174
  596    HE1  PHE  81           HE1      PHE  81   2.543  -5.240   0.966
  597    HE2  PHE  81           HE2      PHE  81  -0.430  -2.416   2.133
  598    HZ   PHE  81           HZ       PHE  81   1.102  -4.257   2.705
  599    H    ILE  82           HN       ILE  82  -1.765  -2.823  -3.734
  600    HA   ILE  82           HA       ILE  82  -2.935  -4.847  -2.057
  601    HB   ILE  82           HB       ILE  82  -4.263  -2.875  -3.920
  602   1HG1  ILE  82          HG12      ILE  82  -2.992  -1.771  -2.140
  603   2HG1  ILE  82          HG11      ILE  82  -4.722  -1.585  -1.878
  604   1HG2  ILE  82          HG21      ILE  82  -5.524  -4.378  -1.639
  605   2HG2  ILE  82          HG22      ILE  82  -5.591  -4.927  -3.314
  606   3HG2  ILE  82          HG23      ILE  82  -6.321  -3.387  -2.862
  607   1HD1  ILE  82          HD11      ILE  82  -3.305  -3.832  -0.542
  608   2HD1  ILE  82          HD12      ILE  82  -4.722  -2.919  -0.023
  609   3HD1  ILE  82          HD13      ILE  82  -3.117  -2.196   0.091
  610    H    ALA  83           HN       ALA  83  -2.407  -4.388  -5.484
  611    HA   ALA  83           HA       ALA  83  -4.228  -6.183  -6.559
  612   1HB   ALA  83          HB1       ALA  83  -2.266  -6.505  -8.300
  613   2HB   ALA  83          HB2       ALA  83  -1.588  -5.133  -7.424
  614   3HB   ALA  83          HB3       ALA  83  -3.169  -4.994  -8.192
  615    H    ALA  84           HN       ALA  84  -0.877  -6.834  -5.522
  616    HA   ALA  84           HA       ALA  84  -1.008  -9.617  -6.057
  617   1HB   ALA  84          HB1       ALA  84   1.174  -9.115  -5.956
  618   2HB   ALA  84          HB2       ALA  84   0.989  -9.408  -4.226
  619   3HB   ALA  84          HB3       ALA  84   0.915  -7.762  -4.855
  620    H    THR  85           HN       THR  85  -0.330  -8.332  -2.825
  621    HA   THR  85           HA       THR  85  -1.770 -10.540  -1.642
  622    HB   THR  85           HB       THR  85  -0.956  -9.604   0.505
  623    HG1  THR  85           HG1      THR  85  -0.121  -7.680   0.607
  624   1HG2  THR  85          HG21      THR  85   0.495 -11.057  -1.048
  625   2HG2  THR  85          HG22      THR  85   1.263 -10.198   0.287
  626   3HG2  THR  85          HG23      THR  85   1.379  -9.562  -1.354
  627    H    VAL  86           HN       VAL  86  -3.660 -10.469  -0.535
  628    HA   VAL  86           HA       VAL  86  -5.756  -9.770   0.010
  629    HB   VAL  86           HB       VAL  86  -4.416  -7.127   0.595
  630   1HG1  VAL  86          HG11      VAL  86  -7.113  -8.154   0.961
  631   2HG1  VAL  86          HG12      VAL  86  -6.508  -6.499   1.051
  632   3HG1  VAL  86          HG13      VAL  86  -6.398  -7.556   2.458
  633   1HG2  VAL  86          HG21      VAL  86  -3.307  -8.116   2.243
  634   2HG2  VAL  86          HG22      VAL  86  -3.987  -9.676   1.782
  635   3HG2  VAL  86          HG23      VAL  86  -4.833  -8.654   2.945
  636    H    HIS  87           HN       HIS  87  -6.465  -9.931  -2.185
  637    HA   HIS  87           HA       HIS  87  -6.652  -7.403  -3.654
  638   1HB   HIS  87          HB2       HIS  87  -7.350  -8.806  -5.570
  639   2HB   HIS  87          HB1       HIS  87  -5.776  -9.269  -4.935
  640    HD1  HIS  87           HD1      HIS  87  -6.808 -11.427  -6.493
  641    HD2  HIS  87           HD2      HIS  87  -8.147 -10.895  -2.595
  642    HE1  HIS  87           HE1      HIS  87  -7.736 -13.655  -5.790
  643    HE2  HIS  87           HE2      HIS  87  -8.432 -13.339  -3.390
  Start of MODEL    4
    1   1H    HIS   1           HT1      HIS   1 -31.397  10.909   7.256
    2   2H    HIS   1           HT2      HIS   1 -29.863  10.241   7.010
    3   3H    HIS   1           HT3      HIS   1 -30.703   9.922   8.443
    4    HA   HIS   1           HA       HIS   1 -30.677   8.103   6.703
    5   1HB   HIS   1          HB2       HIS   1 -32.165   8.187   8.677
    6   2HB   HIS   1          HB1       HIS   1 -33.313   9.158   7.761
    7    HD1  HIS   1           HD1      HIS   1 -33.941   7.771   5.325
    8    HD2  HIS   1           HD2      HIS   1 -32.966   5.622   8.745
    9    HE1  HIS   1           HE1      HIS   1 -34.896   5.473   4.969
   10    HE2  HIS   1           HE2      HIS   1 -34.226   4.167   7.017
   11    H    SER   2           HN       SER   2 -31.158   7.535   4.654
   12    HA   SER   2           HA       SER   2 -33.122   8.977   3.105
   13   1HB   SER   2          HB2       SER   2 -31.546   9.634   1.320
   14   2HB   SER   2          HB1       SER   2 -31.180  10.445   2.843
   15    HG   SER   2           HG       SER   2 -29.602   8.722   3.171
   16    H    SER   3           HN       SER   3 -33.370   8.048   0.912
   17    HA   SER   3           HA       SER   3 -32.627   5.197   0.906
   18   1HB   SER   3          HB2       SER   3 -35.050   5.576   1.151
   19   2HB   SER   3          HB1       SER   3 -35.052   6.520  -0.338
   20    HG   SER   3           HG       SER   3 -35.145   3.837  -0.007
   21    H    GLY   4           HN       GLY   4 -31.339   7.727  -0.261
   22   1HA   GLY   4          HA2       GLY   4 -31.134   6.723  -3.035
   23   2HA   GLY   4          HA1       GLY   4 -31.053   8.431  -2.629
   24    H    HIS   5           HN       HIS   5 -29.519   6.477  -0.337
   25    HA   HIS   5           HA       HIS   5 -26.971   6.264  -1.633
   26   1HB   HIS   5          HB2       HIS   5 -26.942   8.657  -1.151
   27   2HB   HIS   5          HB1       HIS   5 -27.337   8.344   0.536
   28    HD1  HIS   5           HD1      HIS   5 -24.600   7.104  -1.817
   29    HD2  HIS   5           HD2      HIS   5 -25.110   8.590   2.030
   30    HE1  HIS   5           HE1      HIS   5 -22.299   7.144  -0.801
   31    HE2  HIS   5           HE2      HIS   5 -22.622   8.125   1.498
   32    H    ILE   6           HN       ILE   6 -28.013   6.833   1.728
   33    HA   ILE   6           HA       ILE   6 -26.478   4.597   2.668
   34    HB   ILE   6           HB       ILE   6 -28.499   6.292   4.144
   35   1HG1  ILE   6          HG12      ILE   6 -25.479   6.492   4.042
   36   2HG1  ILE   6          HG11      ILE   6 -26.596   7.586   3.233
   37   1HG2  ILE   6          HG21      ILE   6 -27.179   3.892   4.884
   38   2HG2  ILE   6          HG22      ILE   6 -28.228   4.917   5.864
   39   3HG2  ILE   6          HG23      ILE   6 -26.489   5.209   5.833
   40   1HD1  ILE   6          HD11      ILE   6 -26.763   8.822   5.056
   41   2HD1  ILE   6          HD12      ILE   6 -25.537   7.804   5.812
   42   3HD1  ILE   6          HD13      ILE   6 -27.247   7.422   6.014
   43    H    ASP   7           HN       ASP   7 -27.423   2.866   1.481
   44    HA   ASP   7           HA       ASP   7 -29.502   1.523   2.887
   45   1HB   ASP   7          HB2       ASP   7 -30.899   3.063   1.570
   46   2HB   ASP   7          HB1       ASP   7 -30.148   2.480   0.088
   47    H    ASP   8           HN       ASP   8 -28.589   1.488  -0.556
   48    HA   ASP   8           HA       ASP   8 -26.790  -0.688  -0.308
   49   1HB   ASP   8          HB2       ASP   8 -28.129  -2.422  -1.433
   50   2HB   ASP   8          HB1       ASP   8 -28.832  -1.965   0.115
   51    H    ASP   9           HN       ASP   9 -27.004   1.903  -1.595
   52    HA   ASP   9           HA       ASP   9 -26.971   1.191  -4.440
   53   1HB   ASP   9          HB2       ASP   9 -26.987   3.907  -3.104
   54   2HB   ASP   9          HB1       ASP   9 -26.999   3.633  -4.844
   55    H    ASP  10           HN       ASP  10 -25.155   3.689  -2.696
   56    HA   ASP  10           HA       ASP  10 -22.764   2.954  -4.166
   57   1HB   ASP  10          HB2       ASP  10 -23.258   5.195  -2.193
   58   2HB   ASP  10          HB1       ASP  10 -21.791   4.984  -3.145
   59    H    LYS  11           HN       LYS  11 -24.160   2.364  -1.116
   60    HA   LYS  11           HA       LYS  11 -21.652   1.837   0.236
   61   1HB   LYS  11          HB2       LYS  11 -24.507   1.350   1.107
   62   2HB   LYS  11          HB1       LYS  11 -23.089   1.143   2.124
   63   1HG   LYS  11          HG2       LYS  11 -23.976   3.740   0.883
   64   2HG   LYS  11          HG1       LYS  11 -24.251   3.255   2.557
   65   1HD   LYS  11          HD2       LYS  11 -21.546   3.596   1.259
   66   2HD   LYS  11          HD1       LYS  11 -22.322   4.772   2.321
   67   1HE   LYS  11          HE2       LYS  11 -21.520   1.960   3.063
   68   2HE   LYS  11          HE1       LYS  11 -20.682   3.437   3.538
   69   1HZ   LYS  11          HZ1       LYS  11 -23.481   2.764   4.269
   70   2HZ   LYS  11          HZ2       LYS  11 -22.611   4.121   4.781
   71   3HZ   LYS  11          HZ3       LYS  11 -22.142   2.578   5.287
   72    H    HIS  12           HN       HIS  12 -24.076   0.106  -1.535
   73    HA   HIS  12           HA       HIS  12 -23.300  -2.500  -0.594
   74   1HB   HIS  12          HB2       HIS  12 -25.597  -1.983  -1.414
   75   2HB   HIS  12          HB1       HIS  12 -24.937  -1.758  -3.029
   76    HD1  HIS  12           HD1      HIS  12 -23.437  -4.076  -3.761
   77    HD2  HIS  12           HD2      HIS  12 -26.646  -4.444  -1.147
   78    HE1  HIS  12           HE1      HIS  12 -24.110  -6.496  -3.860
   79    HE2  HIS  12           HE2      HIS  12 -26.064  -6.695  -2.282
   80    H    MET  13           HN       MET  13 -22.553  -0.421  -3.314
   81    HA   MET  13           HA       MET  13 -21.197  -2.330  -4.897
   82   1HB   MET  13          HB2       MET  13 -21.994  -0.189  -5.793
   83   2HB   MET  13          HB1       MET  13 -20.852   0.674  -4.772
   84   1HG   MET  13          HG2       MET  13 -18.997  -0.410  -5.965
   85   2HG   MET  13          HG1       MET  13 -20.164  -1.215  -7.014
   86   1HE   MET  13          HE1       MET  13 -22.020   2.042  -8.305
   87   2HE   MET  13          HE2       MET  13 -22.284   0.518  -7.458
   88   3HE   MET  13          HE3       MET  13 -21.650   0.514  -9.103
   89    H    ALA  14           HN       ALA  14 -20.263  -0.401  -2.156
   90    HA   ALA  14           HA       ALA  14 -17.462  -0.564  -2.441
   91   1HB   ALA  14          HB1       ALA  14 -17.866   0.977  -0.855
   92   2HB   ALA  14          HB2       ALA  14 -17.790  -0.400   0.244
   93   3HB   ALA  14          HB3       ALA  14 -19.352   0.190  -0.323
   94    H    GLU  15           HN       GLU  15 -19.786  -2.609  -0.701
   95    HA   GLU  15           HA       GLU  15 -17.829  -4.389   0.332
   96   1HB   GLU  15          HB2       GLU  15 -20.797  -4.780  -0.084
   97   2HB   GLU  15          HB1       GLU  15 -19.759  -5.858   0.841
   98   1HG   GLU  15          HG2       GLU  15 -19.258  -4.033   2.393
   99   2HG   GLU  15          HG1       GLU  15 -20.319  -2.968   1.472
  100    H    ARG  16           HN       ARG  16 -19.408  -4.087  -2.702
  101    HA   ARG  16           HA       ARG  16 -18.978  -6.796  -3.560
  102   1HB   ARG  16          HB2       ARG  16 -19.690  -4.290  -5.092
  103   2HB   ARG  16          HB1       ARG  16 -19.594  -5.890  -5.812
  104   1HG   ARG  16          HG2       ARG  16 -21.462  -5.101  -3.585
  105   2HG   ARG  16          HG1       ARG  16 -21.896  -5.221  -5.291
  106   1HD   ARG  16          HD2       ARG  16 -20.896  -7.470  -3.545
  107   2HD   ARG  16          HD1       ARG  16 -22.561  -7.227  -4.072
  108    HE   ARG  16           HE       ARG  16 -20.934  -7.343  -6.341
  109   1HH1  ARG  16          HH11      ARG  16 -22.021  -9.422  -3.761
  110   2HH1  ARG  16          HH12      ARG  16 -21.925 -10.865  -4.714
  111   1HH2  ARG  16          HH21      ARG  16 -20.804  -9.237  -7.598
  112   2HH2  ARG  16          HH22      ARG  16 -21.232 -10.761  -6.893
  113    H    LEU  17           HN       LEU  17 -17.199  -3.817  -3.610
  114    HA   LEU  17           HA       LEU  17 -15.291  -4.698  -5.582
  115   1HB   LEU  17          HB2       LEU  17 -15.816  -2.330  -5.353
  116   2HB   LEU  17          HB1       LEU  17 -15.269  -2.348  -3.688
  117    HG   LEU  17           HG       LEU  17 -12.974  -2.857  -4.475
  118   1HD1  LEU  17          HD11      LEU  17 -13.924  -3.828  -6.689
  119   2HD1  LEU  17          HD12      LEU  17 -12.377  -2.980  -6.700
  120   3HD1  LEU  17          HD13      LEU  17 -13.837  -2.156  -7.247
  121   1HD2  LEU  17          HD21      LEU  17 -13.026  -0.635  -4.095
  122   2HD2  LEU  17          HD22      LEU  17 -14.464  -0.390  -5.086
  123   3HD2  LEU  17          HD23      LEU  17 -12.883  -0.546  -5.851
  124    H    SER  18           HN       SER  18 -14.135  -6.441  -4.980
  125    HA   SER  18           HA       SER  18 -13.135  -6.740  -2.288
  126   1HB   SER  18          HB2       SER  18 -12.673  -8.412  -4.770
  127   2HB   SER  18          HB1       SER  18 -12.165  -8.852  -3.139
  128    HG   SER  18           HG       SER  18 -14.857  -8.223  -3.644
  129    H    GLU  19           HN       GLU  19 -11.628  -5.202  -1.852
  130    HA   GLU  19           HA       GLU  19  -9.495  -4.617  -3.720
  131   1HB   GLU  19          HB2       GLU  19 -10.568  -2.860  -2.317
  132   2HB   GLU  19          HB1       GLU  19  -9.901  -3.638  -0.889
  133   1HG   GLU  19          HG2       GLU  19  -8.532  -1.770  -1.455
  134   2HG   GLU  19          HG1       GLU  19  -7.631  -3.247  -1.793
  135    H    GLU  20           HN       GLU  20 -10.048  -6.769  -1.138
  136    HA   GLU  20           HA       GLU  20  -7.343  -7.039  -0.245
  137   1HB   GLU  20          HB2       GLU  20  -9.254  -7.586   1.198
  138   2HB   GLU  20          HB1       GLU  20  -9.712  -8.886   0.108
  139   1HG   GLU  20          HG2       GLU  20  -8.565  -9.742   2.067
  140   2HG   GLU  20          HG1       GLU  20  -7.637 -10.054   0.601
  141    H    GLU  21           HN       GLU  21  -9.012  -8.140  -2.990
  142    HA   GLU  21           HA       GLU  21  -8.005 -10.664  -3.476
  143   1HB   GLU  21          HB2       GLU  21  -8.460  -8.439  -5.471
  144   2HB   GLU  21          HB1       GLU  21  -8.242 -10.133  -5.887
  145   1HG   GLU  21          HG2       GLU  21 -10.476  -9.038  -4.194
  146   2HG   GLU  21          HG1       GLU  21 -10.593  -9.436  -5.907
  147    H    ILE  22           HN       ILE  22  -6.489  -7.545  -4.231
  148    HA   ILE  22           HA       ILE  22  -4.201  -8.549  -5.503
  149    HB   ILE  22           HB       ILE  22  -4.948  -6.169  -5.546
  150   1HG1  ILE  22          HG12      ILE  22  -2.091  -6.600  -4.649
  151   2HG1  ILE  22          HG11      ILE  22  -2.689  -6.848  -6.285
  152   1HG2  ILE  22          HG21      ILE  22  -3.514  -5.723  -2.969
  153   2HG2  ILE  22          HG22      ILE  22  -5.206  -6.221  -2.947
  154   3HG2  ILE  22          HG23      ILE  22  -4.736  -4.730  -3.764
  155   1HD1  ILE  22          HD11      ILE  22  -1.695  -4.480  -5.105
  156   2HD1  ILE  22          HD12      ILE  22  -3.400  -4.225  -5.477
  157   3HD1  ILE  22          HD13      ILE  22  -2.286  -4.727  -6.749
  158    H    GLY  23           HN       GLY  23  -5.146  -8.760  -2.290
  159   1HA   GLY  23          HA2       GLY  23  -2.890  -8.514  -0.743
  160   2HA   GLY  23          HA1       GLY  23  -4.172  -9.666  -0.428
  161    H    GLY  24           HN       GLY  24  -3.079 -10.588  -3.359
  162   1HA   GLY  24          HA2       GLY  24  -1.863 -12.943  -2.504
  163   2HA   GLY  24          HA1       GLY  24  -1.700 -12.260  -4.114
  164    H    LEU  25           HN       LEU  25  -0.613  -9.900  -2.197
  165    HA   LEU  25           HA       LEU  25   1.948  -9.744  -2.935
  166   1HB   LEU  25          HB2       LEU  25   2.397  -8.536  -0.802
  167   2HB   LEU  25          HB1       LEU  25   0.972  -8.000  -1.665
  168    HG   LEU  25           HG       LEU  25  -0.374  -9.466  -0.069
  169   1HD1  LEU  25          HD11      LEU  25   2.325  -9.911   0.954
  170   2HD1  LEU  25          HD12      LEU  25   0.850 -10.848   1.189
  171   3HD1  LEU  25          HD13      LEU  25   1.161  -9.429   2.188
  172   1HD2  LEU  25          HD21      LEU  25   0.808  -6.862   0.290
  173   2HD2  LEU  25          HD22      LEU  25   0.479  -7.634   1.841
  174   3HD2  LEU  25          HD23      LEU  25  -0.821  -7.422   0.668
  175    H    LYS  26           HN       LYS  26   0.759 -12.066  -0.644
  176    HA   LYS  26           HA       LYS  26   2.964 -12.721   0.840
  177   1HB   LYS  26          HB2       LYS  26   0.911 -14.587  -0.347
  178   2HB   LYS  26          HB1       LYS  26   2.046 -15.035   0.918
  179   1HG   LYS  26          HG2       LYS  26   1.070 -13.340   2.390
  180   2HG   LYS  26          HG1       LYS  26  -0.075 -12.906   1.119
  181   1HD   LYS  26          HD2       LYS  26  -1.109 -14.399   2.748
  182   2HD   LYS  26          HD1       LYS  26  -0.991 -15.178   1.169
  183   1HE   LYS  26          HE2       LYS  26   1.024 -16.364   1.918
  184   2HE   LYS  26          HE1       LYS  26   0.881 -15.597   3.499
  185   1HZ   LYS  26          HZ1       LYS  26  -0.535 -17.160   4.125
  186   2HZ   LYS  26          HZ2       LYS  26  -0.303 -17.956   2.651
  187   3HZ   LYS  26          HZ3       LYS  26  -1.559 -16.837   2.818
  188    H    GLU  27           HN       GLU  27   2.693 -13.032  -2.562
  189    HA   GLU  27           HA       GLU  27   4.600 -15.187  -2.783
  190   1HB   GLU  27          HB2       GLU  27   3.479 -13.366  -4.915
  191   2HB   GLU  27          HB1       GLU  27   4.409 -14.830  -5.199
  192   1HG   GLU  27          HG2       GLU  27   1.726 -14.710  -3.839
  193   2HG   GLU  27          HG1       GLU  27   2.002 -15.158  -5.521
  194    H    LEU  28           HN       LEU  28   4.694 -11.900  -4.194
  195    HA   LEU  28           HA       LEU  28   7.597 -12.018  -4.184
  196   1HB   LEU  28          HB2       LEU  28   5.664 -10.020  -5.338
  197   2HB   LEU  28          HB1       LEU  28   7.404  -9.836  -5.416
  198    HG   LEU  28           HG       LEU  28   6.615 -10.684  -7.518
  199   1HD1  LEU  28          HD11      LEU  28   8.373 -12.019  -7.736
  200   2HD1  LEU  28          HD12      LEU  28   7.672 -13.237  -6.670
  201   3HD1  LEU  28          HD13      LEU  28   8.586 -11.890  -5.990
  202   1HD2  LEU  28          HD21      LEU  28   4.597 -11.845  -6.213
  203   2HD2  LEU  28          HD22      LEU  28   5.645 -13.249  -6.414
  204   3HD2  LEU  28          HD23      LEU  28   5.106 -12.341  -7.827
  205    H    PHE  29           HN       PHE  29   5.098  -9.825  -2.931
  206    HA   PHE  29           HA       PHE  29   6.547  -7.840  -1.836
  207   1HB   PHE  29          HB2       PHE  29   4.033  -8.194  -1.792
  208   2HB   PHE  29          HB1       PHE  29   4.287  -9.118  -0.316
  209    HD1  PHE  29           HD1      PHE  29   3.390  -7.846   1.391
  210    HD2  PHE  29           HD2      PHE  29   5.897  -5.984  -1.496
  211    HE1  PHE  29           HE1      PHE  29   3.327  -5.757   2.688
  212    HE2  PHE  29           HE2      PHE  29   5.843  -3.897  -0.206
  213    HZ   PHE  29           HZ       PHE  29   4.557  -3.777   1.891
  214    H    LYS  30           HN       LYS  30   5.816 -10.874  -0.072
  215    HA   LYS  30           HA       LYS  30   7.367 -10.146   2.184
  216   1HB   LYS  30          HB2       LYS  30   6.494 -12.891   1.275
  217   2HB   LYS  30          HB1       LYS  30   7.142 -12.503   2.863
  218   1HG   LYS  30          HG2       LYS  30   5.210 -10.909   3.134
  219   2HG   LYS  30          HG1       LYS  30   4.531 -11.619   1.668
  220   1HD   LYS  30          HD2       LYS  30   5.204 -13.088   4.218
  221   2HD   LYS  30          HD1       LYS  30   3.587 -12.670   3.653
  222   1HE   LYS  30          HE2       LYS  30   3.883 -14.094   1.702
  223   2HE   LYS  30          HE1       LYS  30   5.525 -14.478   2.214
  224   1HZ   LYS  30          HZ1       LYS  30   2.978 -15.281   3.482
  225   2HZ   LYS  30          HZ2       LYS  30   4.447 -15.353   4.317
  226   3HZ   LYS  30          HZ3       LYS  30   4.227 -16.270   2.913
  227    H    MET  31           HN       MET  31   8.230 -11.451  -0.883
  228    HA   MET  31           HA       MET  31  10.696 -12.632  -0.011
  229   1HB   MET  31          HB2       MET  31   9.628 -13.631  -1.881
  230   2HB   MET  31          HB1       MET  31   9.449 -12.084  -2.695
  231   1HG   MET  31          HG2       MET  31  11.895 -11.966  -2.930
  232   2HG   MET  31          HG1       MET  31  12.012 -13.569  -2.204
  233   1HE   MET  31          HE1       MET  31  12.620 -13.137  -6.180
  234   2HE   MET  31          HE2       MET  31  13.356 -14.227  -5.005
  235   3HE   MET  31          HE3       MET  31  13.186 -12.511  -4.632
  236    H    ILE  32           HN       ILE  32   9.618  -9.534  -1.154
  237    HA   ILE  32           HA       ILE  32  12.350  -8.623  -1.632
  238    HB   ILE  32           HB       ILE  32  10.590  -7.944  -3.228
  239   1HG1  ILE  32          HG12      ILE  32  11.137  -5.531  -3.264
  240   2HG1  ILE  32          HG11      ILE  32  11.779  -5.664  -1.630
  241   1HG2  ILE  32          HG21      ILE  32   9.280  -7.070  -0.758
  242   2HG2  ILE  32          HG22      ILE  32   8.585  -7.548  -2.306
  243   3HG2  ILE  32          HG23      ILE  32   9.201  -5.910  -2.084
  244   1HD1  ILE  32          HD11      ILE  32  13.112  -7.627  -3.071
  245   2HD1  ILE  32          HD12      ILE  32  13.751  -6.068  -2.549
  246   3HD1  ILE  32          HD13      ILE  32  13.038  -6.236  -4.154
  247    H    ASP  33           HN       ASP  33   9.778  -8.419   0.666
  248    HA   ASP  33           HA       ASP  33  10.526  -6.152   2.114
  249   1HB   ASP  33          HB2       ASP  33   8.383  -7.362   2.403
  250   2HB   ASP  33          HB1       ASP  33   9.252  -8.696   3.153
  251    H    THR  34           HN       THR  34  12.343  -5.742   3.188
  252    HA   THR  34           HA       THR  34  14.390  -7.609   3.609
  253    HB   THR  34           HB       THR  34  13.903  -4.989   5.047
  254    HG1  THR  34           HG1      THR  34  15.728  -5.267   2.961
  255   1HG2  THR  34          HG21      THR  34  16.328  -6.730   4.851
  256   2HG2  THR  34          HG22      THR  34  15.600  -5.991   6.278
  257   3HG2  THR  34          HG23      THR  34  16.455  -4.989   5.105
  258    H    ASP  35           HN       ASP  35  11.482  -7.166   5.226
  259    HA   ASP  35           HA       ASP  35  12.455  -8.433   7.681
  260   1HB   ASP  35          HB2       ASP  35  11.162  -6.290   7.859
  261   2HB   ASP  35          HB1       ASP  35   9.770  -7.145   7.204
  262    H    ASN  36           HN       ASN  36  10.542  -8.960   4.851
  263    HA   ASN  36           HA       ASN  36   9.325 -10.741   4.120
  264   1HB   ASN  36          HB2       ASN  36  11.466 -11.911   4.509
  265   2HB   ASN  36          HB1       ASN  36  10.982 -12.238   6.169
  266   1HD2  ASN  36          HD21      ASN  36  10.289 -14.211   6.477
  267   2HD2  ASN  36          HD22      ASN  36   9.453 -15.196   5.330
  268    H    SER  37           HN       SER  37   8.695  -9.237   6.779
  269    HA   SER  37           HA       SER  37   7.075 -11.117   8.237
  270   1HB   SER  37          HB2       SER  37   6.367  -9.142   9.540
  271   2HB   SER  37          HB1       SER  37   8.122  -9.214   9.391
  272    HG   SER  37           HG       SER  37   8.098  -7.424   8.281
  273    H    GLY  38           HN       GLY  38   6.739  -9.128   5.500
  274   1HA   GLY  38          HA2       GLY  38   4.845  -9.596   4.029
  275   2HA   GLY  38          HA1       GLY  38   3.833  -9.696   5.462
  276    H    THR  39           HN       THR  39   5.959  -7.208   5.896
  277    HA   THR  39           HA       THR  39   4.378  -5.200   4.489
  278    HB   THR  39           HB       THR  39   4.118  -3.855   6.556
  279    HG1  THR  39           HG1      THR  39   4.707  -6.138   8.070
  280   1HG2  THR  39          HG21      THR  39   2.902  -6.520   7.139
  281   2HG2  THR  39          HG22      THR  39   2.354  -5.545   5.775
  282   3HG2  THR  39          HG23      THR  39   2.245  -4.908   7.416
  283    H    ILE  40           HN       ILE  40   5.628  -3.552   3.759
  284    HA   ILE  40           HA       ILE  40   8.435  -3.560   4.659
  285    HB   ILE  40           HB       ILE  40   7.181  -2.586   2.094
  286   1HG1  ILE  40          HG12      ILE  40   9.374  -4.600   2.617
  287   2HG1  ILE  40          HG11      ILE  40   7.685  -5.018   2.335
  288   1HG2  ILE  40          HG21      ILE  40   9.699  -2.143   1.538
  289   2HG2  ILE  40          HG22      ILE  40   9.844  -1.962   3.286
  290   3HG2  ILE  40          HG23      ILE  40   8.745  -0.922   2.381
  291   1HD1  ILE  40          HD11      ILE  40   8.296  -3.440   0.175
  292   2HD1  ILE  40          HD12      ILE  40   8.268  -5.204   0.197
  293   3HD1  ILE  40          HD13      ILE  40   9.787  -4.342   0.447
  294    H    THR  41           HN       THR  41   9.245  -1.886   5.752
  295    HA   THR  41           HA       THR  41   7.588   0.527   5.991
  296    HB   THR  41           HB       THR  41   7.930  -0.365   8.134
  297    HG1  THR  41           HG1      THR  41  10.052   1.464   8.040
  298   1HG2  THR  41          HG21      THR  41  10.286  -0.732   9.018
  299   2HG2  THR  41          HG22      THR  41  10.777  -0.792   7.325
  300   3HG2  THR  41          HG23      THR  41   9.615  -1.963   7.949
  301    H    PHE  42           HN       PHE  42   8.805   2.549   6.331
  302    HA   PHE  42           HA       PHE  42  10.108   3.464   4.195
  303   1HB   PHE  42          HB2       PHE  42   9.392   4.957   5.918
  304   2HB   PHE  42          HB1       PHE  42  10.514   4.253   7.078
  305    HD1  PHE  42           HD1      PHE  42  11.015   5.385   3.570
  306    HD2  PHE  42           HD2      PHE  42  11.992   5.898   7.676
  307    HE1  PHE  42           HE1      PHE  42  12.706   7.049   2.954
  308    HE2  PHE  42           HE2      PHE  42  13.685   7.567   7.070
  309    HZ   PHE  42           HZ       PHE  42  14.050   8.151   4.703
  310    H    ASP  43           HN       ASP  43  11.893   2.400   7.111
  311    HA   ASP  43           HA       ASP  43  14.454   2.665   6.101
  312   1HB   ASP  43          HB2       ASP  43  13.938   2.167   8.467
  313   2HB   ASP  43          HB1       ASP  43  13.475   0.530   8.013
  314    H    GLU  44           HN       GLU  44  12.171   0.032   5.723
  315    HA   GLU  44           HA       GLU  44  14.063  -1.571   4.207
  316   1HB   GLU  44          HB2       GLU  44  11.153  -2.062   4.867
  317   2HB   GLU  44          HB1       GLU  44  12.253  -3.226   4.139
  318   1HG   GLU  44          HG2       GLU  44  13.581  -3.311   6.128
  319   2HG   GLU  44          HG1       GLU  44  12.662  -1.994   6.852
  320    H    LEU  45           HN       LEU  45  11.799   0.862   3.626
  321    HA   LEU  45           HA       LEU  45  10.827   0.068   1.092
  322   1HB   LEU  45          HB2       LEU  45   9.679   1.747   2.438
  323   2HB   LEU  45          HB1       LEU  45  11.057   2.823   2.298
  324    HG   LEU  45           HG       LEU  45  10.688   2.928  -0.155
  325   1HD1  LEU  45          HD11      LEU  45   9.254   0.663   0.126
  326   2HD1  LEU  45          HD12      LEU  45   9.116   1.755  -1.252
  327   3HD1  LEU  45          HD13      LEU  45   7.959   1.858   0.075
  328   1HD2  LEU  45          HD21      LEU  45   8.256   4.009   0.201
  329   2HD2  LEU  45          HD22      LEU  45   9.755   4.793   0.701
  330   3HD2  LEU  45          HD23      LEU  45   8.790   3.902   1.878
  331    H    LYS  46           HN       LYS  46  13.320   2.408   2.061
  332    HA   LYS  46           HA       LYS  46  14.196   3.124  -0.480
  333   1HB   LYS  46          HB2       LYS  46  16.286   3.836   0.639
  334   2HB   LYS  46          HB1       LYS  46  14.842   4.388   1.475
  335   1HG   LYS  46          HG2       LYS  46  15.090   2.596   3.108
  336   2HG   LYS  46          HG1       LYS  46  16.528   2.022   2.263
  337   1HD   LYS  46          HD2       LYS  46  17.246   3.321   4.138
  338   2HD   LYS  46          HD1       LYS  46  17.574   4.251   2.677
  339   1HE   LYS  46          HE2       LYS  46  15.132   4.625   4.405
  340   2HE   LYS  46          HE1       LYS  46  16.607   5.574   4.568
  341   1HZ   LYS  46          HZ1       LYS  46  15.442   6.915   3.181
  342   2HZ   LYS  46          HZ2       LYS  46  14.568   5.649   2.477
  343   3HZ   LYS  46          HZ3       LYS  46  16.167   5.935   2.007
  344    H    ASP  47           HN       ASP  47  14.688   0.193   1.242
  345    HA   ASP  47           HA       ASP  47  17.115  -0.660   0.080
  346   1HB   ASP  47          HB2       ASP  47  16.058  -1.669   2.101
  347   2HB   ASP  47          HB1       ASP  47  14.817  -2.365   1.068
  348    H    GLY  48           HN       GLY  48  13.998  -0.285  -1.163
  349   1HA   GLY  48          HA2       GLY  48  14.349  -2.217  -3.324
  350   2HA   GLY  48          HA1       GLY  48  12.908  -1.254  -3.011
  351    H    LEU  49           HN       LEU  49  14.044   1.250  -2.790
  352    HA   LEU  49           HA       LEU  49  14.390   1.927  -5.551
  353   1HB   LEU  49          HB2       LEU  49  14.671   3.626  -3.066
  354   2HB   LEU  49          HB1       LEU  49  14.629   4.238  -4.708
  355    HG   LEU  49           HG       LEU  49  12.362   2.815  -3.307
  356   1HD1  LEU  49          HD11      LEU  49  12.939   5.150  -2.538
  357   2HD1  LEU  49          HD12      LEU  49  11.297   4.915  -3.137
  358   3HD1  LEU  49          HD13      LEU  49  12.505   5.694  -4.159
  359   1HD2  LEU  49          HD21      LEU  49  12.759   3.777  -6.104
  360   2HD2  LEU  49          HD22      LEU  49  11.152   3.850  -5.382
  361   3HD2  LEU  49          HD23      LEU  49  11.987   2.303  -5.520
  362    H    LYS  50           HN       LYS  50  16.414   1.098  -2.932
  363    HA   LYS  50           HA       LYS  50  18.769   2.343  -4.048
  364   1HB   LYS  50          HB2       LYS  50  18.505   2.219  -1.603
  365   2HB   LYS  50          HB1       LYS  50  18.509   0.464  -1.701
  366   1HG   LYS  50          HG2       LYS  50  20.793   0.508  -2.557
  367   2HG   LYS  50          HG1       LYS  50  20.790   2.270  -2.482
  368   1HD   LYS  50          HD2       LYS  50  21.927   1.501  -0.544
  369   2HD   LYS  50          HD1       LYS  50  20.340   2.058  -0.014
  370   1HE   LYS  50          HE2       LYS  50  21.035  -0.821  -0.585
  371   2HE   LYS  50          HE1       LYS  50  21.068  -0.091   1.019
  372   1HZ   LYS  50          HZ1       LYS  50  18.614   0.557   0.241
  373   2HZ   LYS  50          HZ2       LYS  50  18.973  -0.870   1.074
  374   3HZ   LYS  50          HZ3       LYS  50  18.800  -0.894  -0.608
  375    H    ARG  51           HN       ARG  51  17.395  -0.867  -3.636
  376    HA   ARG  51           HA       ARG  51  19.542  -2.368  -4.630
  377   1HB   ARG  51          HB2       ARG  51  17.574  -3.292  -3.420
  378   2HB   ARG  51          HB1       ARG  51  16.593  -3.006  -4.849
  379   1HG   ARG  51          HG2       ARG  51  19.040  -4.729  -4.969
  380   2HG   ARG  51          HG1       ARG  51  17.490  -5.369  -4.425
  381   1HD   ARG  51          HD2       ARG  51  16.465  -4.772  -6.535
  382   2HD   ARG  51          HD1       ARG  51  17.957  -4.006  -7.076
  383    HE   ARG  51           HE       ARG  51  17.315  -6.736  -7.287
  384   1HH1  ARG  51          HH11      ARG  51  19.991  -4.650  -6.479
  385   2HH1  ARG  51          HH12      ARG  51  21.196  -5.797  -6.960
  386   1HH2  ARG  51          HH21      ARG  51  18.898  -8.246  -7.925
  387   2HH2  ARG  51          HH22      ARG  51  20.575  -7.837  -7.785
  388    H    VAL  52           HN       VAL  52  16.887  -0.741  -6.300
  389    HA   VAL  52           HA       VAL  52  17.358  -1.867  -8.845
  390    HB   VAL  52           HB       VAL  52  16.026  -0.035  -9.753
  391   1HG1  VAL  52          HG11      VAL  52  15.183  -1.680  -7.480
  392   2HG1  VAL  52          HG12      VAL  52  14.458  -1.489  -9.076
  393   3HG1  VAL  52          HG13      VAL  52  14.135  -0.301  -7.812
  394   1HG2  VAL  52          HG21      VAL  52  15.579   1.920  -8.697
  395   2HG2  VAL  52          HG22      VAL  52  17.099   1.548  -7.884
  396   3HG2  VAL  52          HG23      VAL  52  15.565   1.181  -7.096
  397    H    GLY  53           HN       GLY  53  18.940   0.687  -7.103
  398   1HA   GLY  53          HA2       GLY  53  21.095   1.469  -7.675
  399   2HA   GLY  53          HA1       GLY  53  20.820   0.947  -9.328
  400    H    SER  54           HN       SER  54  18.986   3.126  -7.163
  401    HA   SER  54           HA       SER  54  19.265   5.202  -9.213
  402   1HB   SER  54          HB2       SER  54  17.078   6.052  -8.547
  403   2HB   SER  54          HB1       SER  54  16.936   4.352  -8.992
  404    HG   SER  54           HG       SER  54  15.841   4.647  -7.082
  405    H    GLU  55           HN       GLU  55  20.486   6.797  -8.565
  406    HA   GLU  55           HA       GLU  55  21.147   7.133  -5.774
  407   1HB   GLU  55          HB2       GLU  55  22.105   8.322  -8.348
  408   2HB   GLU  55          HB1       GLU  55  22.606   9.006  -6.805
  409   1HG   GLU  55          HG2       GLU  55  23.053   6.170  -7.720
  410   2HG   GLU  55          HG1       GLU  55  24.260   7.454  -7.716
  411    H    LEU  56           HN       LEU  56  18.468   7.628  -6.579
  412    HA   LEU  56           HA       LEU  56  17.817  10.319  -6.922
  413   1HB   LEU  56          HB2       LEU  56  16.217   8.294  -5.367
  414   2HB   LEU  56          HB1       LEU  56  15.622   9.705  -6.218
  415    HG   LEU  56           HG       LEU  56  16.840   7.298  -7.559
  416   1HD1  LEU  56          HD11      LEU  56  13.955   8.145  -7.346
  417   2HD1  LEU  56          HD12      LEU  56  14.692   6.779  -6.509
  418   3HD1  LEU  56          HD13      LEU  56  14.572   6.775  -8.269
  419   1HD2  LEU  56          HD21      LEU  56  15.178   9.064  -9.152
  420   2HD2  LEU  56          HD22      LEU  56  16.790   8.429  -9.480
  421   3HD2  LEU  56          HD23      LEU  56  16.597   9.884  -8.503
  422    H    MET  57           HN       MET  57  16.342  11.365  -5.128
  423    HA   MET  57           HA       MET  57  18.108  11.892  -2.908
  424   1HB   MET  57          HB2       MET  57  16.499  13.651  -2.307
  425   2HB   MET  57          HB1       MET  57  17.005  13.782  -3.984
  426   1HG   MET  57          HG2       MET  57  14.437  12.487  -3.112
  427   2HG   MET  57          HG1       MET  57  14.577  14.186  -3.550
  428   1HE   MET  57          HE1       MET  57  16.336  14.536  -5.524
  429   2HE   MET  57          HE2       MET  57  15.061  14.753  -6.724
  430   3HE   MET  57          HE3       MET  57  16.351  13.584  -7.009
  431    H    GLU  58           HN       GLU  58  17.945  11.038  -0.951
  432    HA   GLU  58           HA       GLU  58  16.254   8.910  -0.334
  433   1HB   GLU  58          HB2       GLU  58  16.995   9.291   2.019
  434   2HB   GLU  58          HB1       GLU  58  18.311   9.201   0.860
  435   1HG   GLU  58          HG2       GLU  58  18.925  10.969   2.209
  436   2HG   GLU  58          HG1       GLU  58  18.172  11.770   0.832
  437    H    SER  59           HN       SER  59  15.555  12.132  -0.561
  438    HA   SER  59           HA       SER  59  13.589  12.390   1.507
  439   1HB   SER  59          HB2       SER  59  14.022  14.050  -0.990
  440   2HB   SER  59          HB1       SER  59  12.980  14.492   0.362
  441    HG   SER  59           HG       SER  59  15.788  14.329   0.257
  442    H    GLU  60           HN       GLU  60  13.533  11.674  -1.941
  443    HA   GLU  60           HA       GLU  60  10.749  11.644  -2.289
  444   1HB   GLU  60          HB2       GLU  60  12.373  11.711  -4.154
  445   2HB   GLU  60          HB1       GLU  60  12.867  10.068  -3.772
  446   1HG   GLU  60          HG2       GLU  60  11.382  10.029  -5.647
  447   2HG   GLU  60          HG1       GLU  60  10.577   9.299  -4.261
  448    H    ILE  61           HN       ILE  61  12.842   9.579  -0.615
  449    HA   ILE  61           HA       ILE  61  11.162   7.219  -0.838
  450    HB   ILE  61           HB       ILE  61  13.542   7.595   0.970
  451   1HG1  ILE  61          HG12      ILE  61  13.492   6.610  -1.892
  452   2HG1  ILE  61          HG11      ILE  61  14.180   8.132  -1.346
  453   1HG2  ILE  61          HG21      ILE  61  11.836   5.330   0.135
  454   2HG2  ILE  61          HG22      ILE  61  12.673   5.621   1.660
  455   3HG2  ILE  61          HG23      ILE  61  13.566   5.014   0.266
  456   1HD1  ILE  61          HD11      ILE  61  15.298   5.924   0.120
  457   2HD1  ILE  61          HD12      ILE  61  16.102   7.157  -0.851
  458   3HD1  ILE  61          HD13      ILE  61  15.484   5.695  -1.618
  459    H    LYS  62           HN       LYS  62  11.876   9.766   1.487
  460    HA   LYS  62           HA       LYS  62  10.377   8.450   3.583
  461   1HB   LYS  62          HB2       LYS  62  10.930  10.452   4.928
  462   2HB   LYS  62          HB1       LYS  62  12.343   9.668   4.241
  463   1HG   LYS  62          HG2       LYS  62  12.799  11.897   3.904
  464   2HG   LYS  62          HG1       LYS  62  12.101  11.425   2.355
  465   1HD   LYS  62          HD2       LYS  62   9.935  12.324   3.062
  466   2HD   LYS  62          HD1       LYS  62  10.634  12.793   4.612
  467   1HE   LYS  62          HE2       LYS  62  11.458  13.822   1.899
  468   2HE   LYS  62          HE1       LYS  62  10.507  14.698   3.098
  469   1HZ   LYS  62          HZ1       LYS  62  13.365  14.174   3.019
  470   2HZ   LYS  62          HZ2       LYS  62  12.640  14.072   4.543
  471   3HZ   LYS  62          HZ3       LYS  62  12.523  15.501   3.646
  472    H    ASP  63           HN       ASP  63   9.869  11.058   1.290
  473    HA   ASP  63           HA       ASP  63   7.393  11.870   2.540
  474   1HB   ASP  63          HB2       ASP  63   7.186  13.426   0.648
  475   2HB   ASP  63          HB1       ASP  63   8.769  13.548   1.406
  476    H    LEU  64           HN       LEU  64   8.411   9.530   0.307
  477    HA   LEU  64           HA       LEU  64   5.847   9.273  -1.026
  478   1HB   LEU  64          HB2       LEU  64   8.086   8.881  -2.143
  479   2HB   LEU  64          HB1       LEU  64   8.231   7.431  -1.165
  480    HG   LEU  64           HG       LEU  64   6.149   6.555  -2.213
  481   1HD1  LEU  64          HD11      LEU  64   5.616   9.081  -2.934
  482   2HD1  LEU  64          HD12      LEU  64   4.947   7.675  -3.762
  483   3HD1  LEU  64          HD13      LEU  64   6.360   8.499  -4.423
  484   1HD2  LEU  64          HD21      LEU  64   8.252   5.792  -3.055
  485   2HD2  LEU  64          HD22      LEU  64   8.462   7.261  -4.010
  486   3HD2  LEU  64          HD23      LEU  64   7.197   6.107  -4.433
  487    H    MET  65           HN       MET  65   7.699   7.749   1.517
  488    HA   MET  65           HA       MET  65   6.048   5.436   1.769
  489   1HB   MET  65          HB2       MET  65   8.390   5.472   2.512
  490   2HB   MET  65          HB1       MET  65   7.988   6.673   3.730
  491   1HG   MET  65          HG2       MET  65   8.212   4.384   4.619
  492   2HG   MET  65          HG1       MET  65   6.632   5.109   4.923
  493   1HE   MET  65          HE1       MET  65   6.410   2.806   5.708
  494   2HE   MET  65          HE2       MET  65   6.859   1.391   4.756
  495   3HE   MET  65          HE3       MET  65   5.178   1.922   4.806
  496    H    ASP  66           HN       ASP  66   6.081   8.630   3.224
  497    HA   ASP  66           HA       ASP  66   4.171   8.013   5.263
  498   1HB   ASP  66          HB2       ASP  66   5.756   9.855   5.541
  499   2HB   ASP  66          HB1       ASP  66   5.064  10.682   4.149
  500    H    ALA  67           HN       ALA  67   4.012   9.216   1.978
  501    HA   ALA  67           HA       ALA  67   1.205   9.891   2.175
  502   1HB   ALA  67          HB1       ALA  67   3.342  10.509   0.401
  503   2HB   ALA  67          HB2       ALA  67   1.728  11.216   0.477
  504   3HB   ALA  67          HB3       ALA  67   2.024   9.799  -0.531
  505    H    ALA  68           HN       ALA  68   3.022   7.092   1.567
  506    HA   ALA  68           HA       ALA  68   0.875   5.835   0.021
  507   1HB   ALA  68          HB1       ALA  68   3.220   4.205   0.657
  508   2HB   ALA  68          HB2       ALA  68   3.581   5.674  -0.249
  509   3HB   ALA  68          HB3       ALA  68   2.427   4.504  -0.890
  510    H    ASP  69           HN       ASP  69   2.153   5.985   3.202
  511    HA   ASP  69           HA       ASP  69   0.497   3.676   3.983
  512   1HB   ASP  69          HB2       ASP  69   2.817   3.179   4.391
  513   2HB   ASP  69          HB1       ASP  69   3.047   4.707   5.241
  514    H    ILE  70           HN       ILE  70  -1.352   4.871   4.291
  515    HA   ILE  70           HA       ILE  70  -1.365   7.166   6.047
  516    HB   ILE  70           HB       ILE  70  -3.636   5.693   4.699
  517   1HG1  ILE  70          HG12      ILE  70  -3.742   7.833   3.346
  518   2HG1  ILE  70          HG11      ILE  70  -2.196   8.273   4.063
  519   1HG2  ILE  70          HG21      ILE  70  -4.852   7.901   5.278
  520   2HG2  ILE  70          HG22      ILE  70  -3.610   8.065   6.519
  521   3HG2  ILE  70          HG23      ILE  70  -4.680   6.663   6.522
  522   1HD1  ILE  70          HD11      ILE  70  -2.243   7.175   1.737
  523   2HD1  ILE  70          HD12      ILE  70  -2.514   5.675   2.625
  524   3HD1  ILE  70          HD13      ILE  70  -1.055   6.622   2.917
  525    H    ASP  71           HN       ASP  71  -1.787   3.761   6.287
  526    HA   ASP  71           HA       ASP  71  -3.508   3.561   8.479
  527   1HB   ASP  71          HB2       ASP  71  -2.686   1.676   7.042
  528   2HB   ASP  71          HB1       ASP  71  -1.150   1.766   7.895
  529    H    LYS  72           HN       LYS  72  -0.325   4.783   8.288
  530    HA   LYS  72           HA       LYS  72   1.107   5.655   9.827
  531   1HB   LYS  72          HB2       LYS  72  -1.252   5.395  11.699
  532   2HB   LYS  72          HB1       LYS  72   0.194   6.351  11.996
  533   1HG   LYS  72          HG2       LYS  72  -1.721   6.808   9.723
  534   2HG   LYS  72          HG1       LYS  72  -1.738   7.682  11.251
  535   1HD   LYS  72          HD2       LYS  72   0.534   8.489  10.815
  536   2HD   LYS  72          HD1       LYS  72   0.549   7.609   9.285
  537   1HE   LYS  72          HE2       LYS  72  -1.311   8.964   8.478
  538   2HE   LYS  72          HE1       LYS  72  -1.363   9.826  10.016
  539   1HZ   LYS  72          HZ1       LYS  72   0.056  11.250   9.112
  540   2HZ   LYS  72          HZ2       LYS  72   0.318  10.267   7.762
  541   3HZ   LYS  72          HZ3       LYS  72   1.236  10.039   9.164
  542    H    SER  73           HN       SER  73   0.353   2.634   9.670
  543    HA   SER  73           HA       SER  73   1.124   1.586  12.224
  544   1HB   SER  73          HB2       SER  73   0.993   0.228   9.522
  545   2HB   SER  73          HB1       SER  73   1.187  -0.595  11.069
  546    HG   SER  73           HG       SER  73  -0.932   1.107  11.068
  547    H    GLY  74           HN       GLY  74   2.880   3.147   9.913
  548   1HA   GLY  74          HA2       GLY  74   5.185   3.527   9.933
  549   2HA   GLY  74          HA1       GLY  74   5.379   2.150  11.009
  550    H    THR  75           HN       THR  75   3.717   0.483   9.177
  551    HA   THR  75           HA       THR  75   5.733   0.045   7.073
  552    HB   THR  75           HB       THR  75   5.173  -2.351   7.187
  553    HG1  THR  75           HG1      THR  75   3.828  -2.072   9.588
  554   1HG2  THR  75          HG21      THR  75   7.026  -1.827   8.534
  555   2HG2  THR  75          HG22      THR  75   5.975  -2.841   9.523
  556   3HG2  THR  75          HG23      THR  75   6.012  -1.096   9.779
  557    H    ILE  76           HN       ILE  76   5.004  -0.332   4.998
  558    HA   ILE  76           HA       ILE  76   2.189   0.303   4.553
  559    HB   ILE  76           HB       ILE  76   3.860   1.661   3.362
  560   1HG1  ILE  76          HG12      ILE  76   2.154  -0.099   1.582
  561   2HG1  ILE  76          HG11      ILE  76   1.633   1.374   2.397
  562   1HG2  ILE  76          HG21      ILE  76   5.686   0.313   2.928
  563   2HG2  ILE  76          HG22      ILE  76   4.934   0.437   1.338
  564   3HG2  ILE  76          HG23      ILE  76   4.695  -1.011   2.315
  565   1HD1  ILE  76          HD11      ILE  76   3.459   2.550   1.065
  566   2HD1  ILE  76          HD12      ILE  76   2.022   2.015   0.192
  567   3HD1  ILE  76          HD13      ILE  76   3.516   1.083   0.088
  568    H    ASP  77           HN       ASP  77   0.790  -0.971   3.456
  569    HA   ASP  77           HA       ASP  77   1.757  -3.569   2.481
  570   1HB   ASP  77          HB2       ASP  77  -0.174  -4.699   3.515
  571   2HB   ASP  77          HB1       ASP  77   0.872  -3.962   4.725
  572    H    TYR  78           HN       TYR  78   0.373  -4.582   0.931
  573    HA   TYR  78           HA       TYR  78  -0.481  -3.079  -1.151
  574   1HB   TYR  78          HB2       TYR  78  -1.328  -5.779  -0.187
  575   2HB   TYR  78          HB1       TYR  78  -2.144  -5.065  -1.572
  576    HD1  TYR  78           HD1      TYR  78  -1.439  -6.593  -3.220
  577    HD2  TYR  78           HD2      TYR  78   1.462  -4.648  -0.793
  578    HE1  TYR  78           HE1      TYR  78   0.334  -7.401  -4.710
  579    HE2  TYR  78           HE2      TYR  78   3.250  -5.450  -2.280
  580    HH   TYR  78           HH       TYR  78   3.602  -6.274  -4.461
  581    H    GLY  79           HN       GLY  79  -2.467  -3.991   1.634
  582   1HA   GLY  79          HA2       GLY  79  -4.969  -3.210   0.783
  583   2HA   GLY  79          HA1       GLY  79  -4.416  -3.077   2.444
  584    H    GLU  80           HN       GLU  80  -2.494  -1.133   2.259
  585    HA   GLU  80           HA       GLU  80  -4.145   1.219   1.835
  586   1HB   GLU  80          HB2       GLU  80  -2.213   2.392   2.939
  587   2HB   GLU  80          HB1       GLU  80  -2.989   1.153   3.916
  588   1HG   GLU  80          HG2       GLU  80  -1.193  -0.422   3.210
  589   2HG   GLU  80          HG1       GLU  80  -0.385   0.938   2.433
  590    H    PHE  81           HN       PHE  81  -0.876   0.159   0.897
  591    HA   PHE  81           HA       PHE  81  -0.044   2.142  -0.733
  592   1HB   PHE  81          HB2       PHE  81   1.292   0.161  -0.296
  593   2HB   PHE  81          HB1       PHE  81   0.191  -0.827  -1.249
  594    HD1  PHE  81           HD1      PHE  81   1.843   2.463  -1.875
  595    HD2  PHE  81           HD2      PHE  81   1.241  -1.553  -3.144
  596    HE1  PHE  81           HE1      PHE  81   3.188   2.903  -3.888
  597    HE2  PHE  81           HE2      PHE  81   2.585  -1.122  -5.160
  598    HZ   PHE  81           HZ       PHE  81   3.561   1.108  -5.533
  599    H    ILE  82           HN       ILE  82  -2.449  -0.305  -1.569
  600    HA   ILE  82           HA       ILE  82  -2.642   0.037  -4.292
  601    HB   ILE  82           HB       ILE  82  -3.907  -1.605  -2.816
  602   1HG1  ILE  82          HG12      ILE  82  -4.247  -1.366  -5.279
  603   2HG1  ILE  82          HG11      ILE  82  -5.670  -1.935  -4.418
  604   1HG2  ILE  82          HG21      ILE  82  -6.259   0.150  -2.779
  605   2HG2  ILE  82          HG22      ILE  82  -4.974   0.583  -1.652
  606   3HG2  ILE  82          HG23      ILE  82  -5.693  -1.026  -1.594
  607   1HD1  ILE  82          HD11      ILE  82  -6.867  -0.295  -5.281
  608   2HD1  ILE  82          HD12      ILE  82  -5.454   0.230  -6.195
  609   3HD1  ILE  82          HD13      ILE  82  -5.772   0.907  -4.599
  610    H    ALA  83           HN       ALA  83  -4.133   2.005  -1.747
  611    HA   ALA  83           HA       ALA  83  -5.765   3.640  -3.251
  612   1HB   ALA  83          HB1       ALA  83  -6.088   4.622  -1.286
  613   2HB   ALA  83          HB2       ALA  83  -4.423   5.201  -1.244
  614   3HB   ALA  83          HB3       ALA  83  -4.816   3.598  -0.621
  615    H    ALA  84           HN       ALA  84  -2.281   3.838  -2.775
  616    HA   ALA  84           HA       ALA  84  -1.995   6.347  -4.129
  617   1HB   ALA  84          HB1       ALA  84  -0.422   5.080  -2.403
  618   2HB   ALA  84          HB2       ALA  84   0.210   6.231  -3.580
  619   3HB   ALA  84          HB3       ALA  84   0.313   4.499  -3.897
  620    H    THR  85           HN       THR  85  -2.383   6.544  -6.234
  621    HA   THR  85           HA       THR  85  -2.138   4.304  -8.035
  622    HB   THR  85           HB       THR  85  -2.838   7.197  -8.577
  623    HG1  THR  85           HG1      THR  85  -4.785   5.289  -8.788
  624   1HG2  THR  85          HG21      THR  85  -3.197   6.749 -10.729
  625   2HG2  THR  85          HG22      THR  85  -3.862   5.152 -10.387
  626   3HG2  THR  85          HG23      THR  85  -2.115   5.380 -10.467
  627    H    VAL  86           HN       VAL  86  -0.187   3.714  -8.720
  628    HA   VAL  86           HA       VAL  86   2.013   5.553  -8.892
  629    HB   VAL  86           HB       VAL  86   1.804   2.684  -9.829
  630   1HG1  VAL  86          HG11      VAL  86   4.417   3.904  -9.177
  631   2HG1  VAL  86          HG12      VAL  86   3.660   4.417 -10.685
  632   3HG1  VAL  86          HG13      VAL  86   3.996   2.709 -10.403
  633   1HG2  VAL  86          HG21      VAL  86   1.840   2.200  -7.655
  634   2HG2  VAL  86          HG22      VAL  86   2.128   3.883  -7.215
  635   3HG2  VAL  86          HG23      VAL  86   3.485   2.835  -7.624
  636    H    HIS  87           HN       HIS  87   2.878   6.505 -10.667
  637    HA   HIS  87           HA       HIS  87   1.248   6.631 -13.037
  638   1HB   HIS  87          HB2       HIS  87   3.927   7.917 -12.466
  639   2HB   HIS  87          HB1       HIS  87   2.840   8.330 -13.788
  640    HD1  HIS  87           HD1      HIS  87   0.245   8.900 -12.647
  641    HD2  HIS  87           HD2      HIS  87   3.710   9.765 -10.523
  642    HE1  HIS  87           HE1      HIS  87  -0.419  10.638 -10.954
  643    HE2  HIS  87           HE2      HIS  87   1.691  11.137  -9.670
  Start of MODEL    5
    1   1H    HIS   1           HT1      HIS   1  35.081   9.500   0.829
    2   2H    HIS   1           HT2      HIS   1  33.894   8.295   0.860
    3   3H    HIS   1           HT3      HIS   1  35.179   8.186  -0.233
    4    HA   HIS   1           HA       HIS   1  36.509   8.354   2.077
    5   1HB   HIS   1          HB2       HIS   1  34.332   8.294   3.280
    6   2HB   HIS   1          HB1       HIS   1  34.012   6.713   2.577
    7    HD1  HIS   1           HD1      HIS   1  33.880   6.428   5.393
    8    HD2  HIS   1           HD2      HIS   1  37.603   6.583   3.553
    9    HE1  HIS   1           HE1      HIS   1  35.484   5.400   7.033
   10    HE2  HIS   1           HE2      HIS   1  37.735   5.525   5.909
   11    H    SER   2           HN       SER   2  34.446   5.721   0.826
   12    HA   SER   2           HA       SER   2  36.869   4.131   0.369
   13   1HB   SER   2          HB2       SER   2  35.136   3.081   1.756
   14   2HB   SER   2          HB1       SER   2  33.965   3.275   0.452
   15    HG   SER   2           HG       SER   2  35.220   1.870  -0.808
   16    H    SER   3           HN       SER   3  36.785   2.670  -1.584
   17    HA   SER   3           HA       SER   3  36.447   4.279  -3.914
   18   1HB   SER   3          HB2       SER   3  37.098   1.334  -3.649
   19   2HB   SER   3          HB1       SER   3  37.222   2.272  -5.137
   20    HG   SER   3           HG       SER   3  39.224   2.054  -3.974
   21    H    GLY   4           HN       GLY   4  34.671   1.619  -2.452
   22   1HA   GLY   4          HA2       GLY   4  32.544   2.053  -4.458
   23   2HA   GLY   4          HA1       GLY   4  32.971   0.447  -3.888
   24    H    HIS   5           HN       HIS   5  30.461   2.132  -3.758
   25    HA   HIS   5           HA       HIS   5  29.992   1.751  -0.879
   26   1HB   HIS   5          HB2       HIS   5  28.985   4.040  -2.582
   27   2HB   HIS   5          HB1       HIS   5  28.474   3.720  -0.928
   28    HD1  HIS   5           HD1      HIS   5  30.806   3.498   0.726
   29    HD2  HIS   5           HD2      HIS   5  30.868   5.960  -2.620
   30    HE1  HIS   5           HE1      HIS   5  32.675   5.131   1.128
   31    HE2  HIS   5           HE2      HIS   5  32.646   6.657  -0.876
   32    H    ILE   6           HN       ILE   6  28.551   1.975  -4.108
   33    HA   ILE   6           HA       ILE   6  26.176   0.578  -3.166
   34    HB   ILE   6           HB       ILE   6  25.600   2.434  -4.488
   35   1HG1  ILE   6          HG12      ILE   6  25.586   0.040  -6.316
   36   2HG1  ILE   6          HG11      ILE   6  24.384   0.372  -5.075
   37   1HG2  ILE   6          HG21      ILE   6  28.100   2.117  -5.633
   38   2HG2  ILE   6          HG22      ILE   6  26.904   3.346  -6.045
   39   3HG2  ILE   6          HG23      ILE   6  26.979   1.844  -6.967
   40   1HD1  ILE   6          HD11      ILE   6  24.692   2.601  -6.889
   41   2HD1  ILE   6          HD12      ILE   6  23.243   1.707  -6.431
   42   3HD1  ILE   6          HD13      ILE   6  24.270   1.114  -7.737
   43    H    ASP   7           HN       ASP   7  26.643  -1.549  -2.986
   44    HA   ASP   7           HA       ASP   7  27.196  -2.996  -5.443
   45   1HB   ASP   7          HB2       ASP   7  28.942  -3.295  -2.989
   46   2HB   ASP   7          HB1       ASP   7  28.992  -4.349  -4.398
   47    H    ASP   8           HN       ASP   8  27.799  -4.601  -2.450
   48    HA   ASP   8           HA       ASP   8  25.034  -5.504  -2.200
   49   1HB   ASP   8          HB2       ASP   8  27.360  -7.403  -2.593
   50   2HB   ASP   8          HB1       ASP   8  25.720  -7.880  -2.169
   51    H    ASP   9           HN       ASP   9  26.036  -3.848  -0.417
   52    HA   ASP   9           HA       ASP   9  26.644  -5.572   1.885
   53   1HB   ASP   9          HB2       ASP   9  28.712  -4.442   1.237
   54   2HB   ASP   9          HB1       ASP   9  27.898  -2.882   1.301
   55    H    ASP  10           HN       ASP  10  26.379  -2.062   1.880
   56    HA   ASP  10           HA       ASP  10  24.091  -2.295   3.686
   57   1HB   ASP  10          HB2       ASP  10  26.084  -0.963   4.381
   58   2HB   ASP  10          HB1       ASP  10  25.768   0.140   3.047
   59    H    LYS  11           HN       LYS  11  24.955  -1.209   0.524
   60    HA   LYS  11           HA       LYS  11  22.510   0.311   0.165
   61   1HB   LYS  11          HB2       LYS  11  24.698  -0.394  -1.799
   62   2HB   LYS  11          HB1       LYS  11  23.346   0.677  -2.134
   63   1HG   LYS  11          HG2       LYS  11  25.477   1.136  -0.056
   64   2HG   LYS  11          HG1       LYS  11  25.386   1.917  -1.634
   65   1HD   LYS  11          HD2       LYS  11  23.229   2.116   0.464
   66   2HD   LYS  11          HD1       LYS  11  24.532   3.291   0.286
   67   1HE   LYS  11          HE2       LYS  11  22.602   4.138  -0.847
   68   2HE   LYS  11          HE1       LYS  11  23.788   3.664  -2.061
   69   1HZ   LYS  11          HZ1       LYS  11  22.539   1.856  -2.701
   70   2HZ   LYS  11          HZ2       LYS  11  21.334   2.992  -2.362
   71   3HZ   LYS  11          HZ3       LYS  11  21.684   1.773  -1.243
   72    H    HIS  12           HN       HIS  12  23.423  -2.896   0.029
   73    HA   HIS  12           HA       HIS  12  21.819  -3.754  -2.182
   74   1HB   HIS  12          HB2       HIS  12  23.769  -5.041  -1.228
   75   2HB   HIS  12          HB1       HIS  12  22.759  -5.408   0.167
   76    HD1  HIS  12           HD1      HIS  12  22.334  -5.742  -3.611
   77    HD2  HIS  12           HD2      HIS  12  21.670  -7.853  -0.094
   78    HE1  HIS  12           HE1      HIS  12  21.358  -7.947  -4.324
   79    HE2  HIS  12           HE2      HIS  12  20.921  -9.189  -2.177
   80    H    MET  13           HN       MET  13  21.207  -2.767   0.992
   81    HA   MET  13           HA       MET  13  18.835  -4.307   1.463
   82   1HB   MET  13          HB2       MET  13  20.236  -3.371   3.288
   83   2HB   MET  13          HB1       MET  13  19.774  -1.752   2.786
   84   1HG   MET  13          HG2       MET  13  17.443  -2.256   3.304
   85   2HG   MET  13          HG1       MET  13  17.907  -3.881   3.806
   86   1HE   MET  13          HE1       MET  13  16.853  -1.768   6.987
   87   2HE   MET  13          HE2       MET  13  16.894  -3.479   6.562
   88   3HE   MET  13          HE3       MET  13  16.186  -2.310   5.447
   89    H    ALA  14           HN       ALA  14  19.515  -1.921  -0.683
   90    HA   ALA  14           HA       ALA  14  16.977  -0.511  -0.487
   91   1HB   ALA  14          HB1       ALA  14  18.282   1.128  -1.238
   92   2HB   ALA  14          HB2       ALA  14  18.231   0.330  -2.809
   93   3HB   ALA  14          HB3       ALA  14  19.558   0.001  -1.696
   94    H    GLU  15           HN       GLU  15  18.467  -3.052  -2.348
   95    HA   GLU  15           HA       GLU  15  16.460  -2.962  -4.425
   96   1HB   GLU  15          HB2       GLU  15  17.613  -4.887  -5.376
   97   2HB   GLU  15          HB1       GLU  15  18.752  -3.613  -4.976
   98   1HG   GLU  15          HG2       GLU  15  19.793  -5.596  -4.324
   99   2HG   GLU  15          HG1       GLU  15  19.203  -4.871  -2.831
  100    H    ARG  16           HN       ARG  16  16.989  -4.593  -1.436
  101    HA   ARG  16           HA       ARG  16  15.235  -6.787  -1.848
  102   1HB   ARG  16          HB2       ARG  16  15.298  -7.061   0.583
  103   2HB   ARG  16          HB1       ARG  16  16.911  -6.777  -0.057
  104   1HG   ARG  16          HG2       ARG  16  16.856  -4.488   0.685
  105   2HG   ARG  16          HG1       ARG  16  15.181  -4.666   1.211
  106   1HD   ARG  16          HD2       ARG  16  16.703  -4.801   3.105
  107   2HD   ARG  16          HD1       ARG  16  15.874  -6.336   2.856
  108    HE   ARG  16           HE       ARG  16  18.325  -6.396   1.492
  109   1HH1  ARG  16          HH11      ARG  16  17.068  -6.357   4.743
  110   2HH1  ARG  16          HH12      ARG  16  18.422  -7.204   5.414
  111   1HH2  ARG  16          HH21      ARG  16  20.111  -7.508   2.367
  112   2HH2  ARG  16          HH22      ARG  16  20.153  -7.858   4.063
  113    H    LEU  17           HN       LEU  17  13.620  -6.478   0.573
  114    HA   LEU  17           HA       LEU  17  11.296  -5.390  -0.563
  115   1HB   LEU  17          HB2       LEU  17  11.932  -5.904   2.345
  116   2HB   LEU  17          HB1       LEU  17  10.337  -5.523   1.729
  117    HG   LEU  17           HG       LEU  17  10.427  -7.872   2.101
  118   1HD1  LEU  17          HD11      LEU  17   9.396  -6.993  -0.046
  119   2HD1  LEU  17          HD12      LEU  17   9.780  -8.714   0.012
  120   3HD1  LEU  17          HD13      LEU  17  10.838  -7.603  -0.859
  121   1HD2  LEU  17          HD21      LEU  17  13.131  -7.599   1.431
  122   2HD2  LEU  17          HD22      LEU  17  12.437  -8.698   0.239
  123   3HD2  LEU  17          HD23      LEU  17  12.290  -9.056   1.960
  124    H    SER  18           HN       SER  18  10.849  -3.336  -0.958
  125    HA   SER  18           HA       SER  18  12.001  -1.293   0.818
  126   1HB   SER  18          HB2       SER  18  11.714   0.278  -1.077
  127   2HB   SER  18          HB1       SER  18  12.763  -1.078  -1.491
  128    HG   SER  18           HG       SER  18  10.926  -0.386  -2.977
  129    H    GLU  19           HN       GLU  19  10.322  -1.504   2.341
  130    HA   GLU  19           HA       GLU  19   7.584  -1.011   1.554
  131   1HB   GLU  19          HB2       GLU  19   8.854  -1.190   4.290
  132   2HB   GLU  19          HB1       GLU  19   7.124  -1.122   3.979
  133   1HG   GLU  19          HG2       GLU  19   7.264  -3.242   2.767
  134   2HG   GLU  19          HG1       GLU  19   8.995  -3.309   3.097
  135    H    GLU  20           HN       GLU  20  10.262   0.898   2.135
  136    HA   GLU  20           HA       GLU  20   8.965   3.121   3.391
  137   1HB   GLU  20          HB2       GLU  20  11.093   4.298   2.923
  138   2HB   GLU  20          HB1       GLU  20  11.325   2.775   3.769
  139   1HG   GLU  20          HG2       GLU  20  11.950   1.704   1.667
  140   2HG   GLU  20          HG1       GLU  20  11.709   3.230   0.817
  141    H    GLU  21           HN       GLU  21   9.113   1.954   0.225
  142    HA   GLU  21           HA       GLU  21   9.242   4.160  -1.404
  143   1HB   GLU  21          HB2       GLU  21   7.402   1.780  -1.697
  144   2HB   GLU  21          HB1       GLU  21   7.793   2.918  -2.979
  145   1HG   GLU  21          HG2       GLU  21   9.781   1.164  -1.554
  146   2HG   GLU  21          HG1       GLU  21   9.069   0.826  -3.130
  147    H    ILE  22           HN       ILE  22   6.905   3.523   0.971
  148    HA   ILE  22           HA       ILE  22   4.592   4.717  -0.026
  149    HB   ILE  22           HB       ILE  22   3.951   5.104   2.297
  150   1HG1  ILE  22          HG12      ILE  22   6.797   4.316   2.970
  151   2HG1  ILE  22          HG11      ILE  22   6.143   5.947   3.082
  152   1HG2  ILE  22          HG21      ILE  22   3.561   2.897   1.668
  153   2HG2  ILE  22          HG22      ILE  22   4.475   2.735   3.168
  154   3HG2  ILE  22          HG23      ILE  22   5.280   2.506   1.616
  155   1HD1  ILE  22          HD11      ILE  22   4.377   4.593   4.611
  156   2HD1  ILE  22          HD12      ILE  22   5.823   5.394   5.225
  157   3HD1  ILE  22          HD13      ILE  22   5.848   3.663   4.892
  158    H    GLY  23           HN       GLY  23   7.606   6.109   0.605
  159   1HA   GLY  23          HA2       GLY  23   6.959   8.660   1.553
  160   2HA   GLY  23          HA1       GLY  23   8.380   8.270   0.600
  161    H    GLY  24           HN       GLY  24   6.459   7.312  -1.592
  162   1HA   GLY  24          HA2       GLY  24   6.187   9.956  -2.813
  163   2HA   GLY  24          HA1       GLY  24   6.125   8.416  -3.654
  164    H    LEU  25           HN       LEU  25   4.234   7.914  -1.083
  165    HA   LEU  25           HA       LEU  25   1.840   7.861  -2.514
  166   1HB   LEU  25          HB2       LEU  25   2.264   7.958   0.470
  167   2HB   LEU  25          HB1       LEU  25   0.757   7.532  -0.318
  168    HG   LEU  25           HG       LEU  25   3.343   5.988  -0.361
  169   1HD1  LEU  25          HD11      LEU  25   1.926   4.223   0.623
  170   2HD1  LEU  25          HD12      LEU  25   0.584   5.366   0.679
  171   3HD1  LEU  25          HD13      LEU  25   2.035   5.661   1.637
  172   1HD2  LEU  25          HD21      LEU  25   1.119   4.663  -1.622
  173   2HD2  LEU  25          HD22      LEU  25   2.749   4.947  -2.231
  174   3HD2  LEU  25          HD23      LEU  25   1.500   6.173  -2.448
  175    H    LYS  26           HN       LYS  26   3.379  10.474  -0.895
  176    HA   LYS  26           HA       LYS  26   1.205  12.073  -0.207
  177   1HB   LYS  26          HB2       LYS  26   3.913  12.959  -1.222
  178   2HB   LYS  26          HB1       LYS  26   2.767  13.963  -0.343
  179   1HG   LYS  26          HG2       LYS  26   4.106  11.490   0.736
  180   2HG   LYS  26          HG1       LYS  26   4.577  13.153   1.089
  181   1HD   LYS  26          HD2       LYS  26   1.870  11.969   1.703
  182   2HD   LYS  26          HD1       LYS  26   3.187  12.114   2.868
  183   1HE   LYS  26          HE2       LYS  26   1.852  14.395   1.412
  184   2HE   LYS  26          HE1       LYS  26   1.576  13.943   3.094
  185   1HZ   LYS  26          HZ1       LYS  26   3.693  15.490   1.954
  186   2HZ   LYS  26          HZ2       LYS  26   4.282  14.227   2.912
  187   3HZ   LYS  26          HZ3       LYS  26   3.207  15.356   3.569
  188    H    GLU  27           HN       GLU  27   2.369  11.196  -3.311
  189    HA   GLU  27           HA       GLU  27   1.166  13.484  -4.632
  190   1HB   GLU  27          HB2       GLU  27   3.305  12.565  -5.436
  191   2HB   GLU  27          HB1       GLU  27   2.501  11.048  -5.816
  192   1HG   GLU  27          HG2       GLU  27   1.080  12.218  -7.433
  193   2HG   GLU  27          HG1       GLU  27   1.917  13.725  -7.065
  194    H    LEU  28           HN       LEU  28   0.848   9.971  -5.245
  195    HA   LEU  28           HA       LEU  28  -1.816  10.424  -6.308
  196   1HB   LEU  28          HB2       LEU  28  -0.196   7.887  -6.140
  197   2HB   LEU  28          HB1       LEU  28  -1.726   8.060  -6.975
  198    HG   LEU  28           HG       LEU  28  -0.559   9.831  -8.409
  199   1HD1  LEU  28          HD11      LEU  28   1.399  10.333  -7.247
  200   2HD1  LEU  28          HD12      LEU  28   1.944   9.318  -8.582
  201   3HD1  LEU  28          HD13      LEU  28   1.779   8.635  -6.964
  202   1HD2  LEU  28          HD21      LEU  28   0.062   8.228  -9.976
  203   2HD2  LEU  28          HD22      LEU  28  -1.114   7.383  -8.969
  204   3HD2  LEU  28          HD23      LEU  28   0.610   7.093  -8.742
  205    H    PHE  29           HN       PHE  29  -0.544   7.901  -4.155
  206    HA   PHE  29           HA       PHE  29  -2.702   6.737  -3.166
  207   1HB   PHE  29          HB2       PHE  29  -0.225   6.551  -2.456
  208   2HB   PHE  29          HB1       PHE  29  -0.662   7.689  -1.188
  209    HD1  PHE  29           HD1      PHE  29  -2.333   7.042   0.521
  210    HD2  PHE  29           HD2      PHE  29  -0.839   4.276  -2.344
  211    HE1  PHE  29           HE1      PHE  29  -3.113   5.177   1.919
  212    HE2  PHE  29           HE2      PHE  29  -1.616   2.403  -0.950
  213    HZ   PHE  29           HZ       PHE  29  -2.760   2.853   1.183
  214    H    LYS  30           HN       LYS  30  -1.630   9.928  -1.980
  215    HA   LYS  30           HA       LYS  30  -3.566  10.134   0.058
  216   1HB   LYS  30          HB2       LYS  30  -2.725  12.221   0.444
  217   2HB   LYS  30          HB1       LYS  30  -1.420  11.575  -0.535
  218   1HG   LYS  30          HG2       LYS  30  -2.190  12.728  -2.471
  219   2HG   LYS  30          HG1       LYS  30  -3.668  13.228  -1.646
  220   1HD   LYS  30          HD2       LYS  30  -2.306  14.531  -0.056
  221   2HD   LYS  30          HD1       LYS  30  -0.855  14.068  -0.946
  222   1HE   LYS  30          HE2       LYS  30  -3.180  15.647  -2.044
  223   2HE   LYS  30          HE1       LYS  30  -1.613  16.305  -1.575
  224   1HZ   LYS  30          HZ1       LYS  30  -1.029  15.958  -3.678
  225   2HZ   LYS  30          HZ2       LYS  30  -2.382  14.996  -4.000
  226   3HZ   LYS  30          HZ3       LYS  30  -0.996  14.305  -3.320
  227    H    MET  31           HN       MET  31  -3.569  11.178  -3.301
  228    HA   MET  31           HA       MET  31  -6.018  12.562  -3.253
  229   1HB   MET  31          HB2       MET  31  -4.410  12.865  -5.054
  230   2HB   MET  31          HB1       MET  31  -4.614  11.191  -5.551
  231   1HG   MET  31          HG2       MET  31  -6.924  11.634  -6.158
  232   2HG   MET  31          HG1       MET  31  -6.758  13.302  -5.616
  233   1HE   MET  31          HE1       MET  31  -4.362  14.310  -6.238
  234   2HE   MET  31          HE2       MET  31  -5.151  15.253  -7.502
  235   3HE   MET  31          HE3       MET  31  -3.712  14.303  -7.877
  236    H    ILE  32           HN       ILE  32  -5.278   9.166  -3.463
  237    HA   ILE  32           HA       ILE  32  -8.007   8.534  -4.275
  238    HB   ILE  32           HB       ILE  32  -6.039   7.284  -5.230
  239   1HG1  ILE  32          HG12      ILE  32  -7.160   5.083  -5.099
  240   2HG1  ILE  32          HG11      ILE  32  -8.140   5.677  -3.760
  241   1HG2  ILE  32          HG21      ILE  32  -5.204   5.390  -3.785
  242   2HG2  ILE  32          HG22      ILE  32  -5.906   6.245  -2.412
  243   3HG2  ILE  32          HG23      ILE  32  -4.624   7.000  -3.359
  244   1HD1  ILE  32          HD11      ILE  32  -8.463   6.050  -6.619
  245   2HD1  ILE  32          HD12      ILE  32  -8.550   7.561  -5.712
  246   3HD1  ILE  32          HD13      ILE  32  -9.632   6.226  -5.310
  247    H    ASP  33           HN       ASP  33  -6.075   8.780  -1.464
  248    HA   ASP  33           HA       ASP  33  -7.784   7.094   0.160
  249   1HB   ASP  33          HB2       ASP  33  -5.385   7.159   0.641
  250   2HB   ASP  33          HB1       ASP  33  -5.471   8.896   0.917
  251    H    THR  34           HN       THR  34  -9.551   7.767   1.169
  252    HA   THR  34           HA       THR  34 -10.608  10.339   0.866
  253    HB   THR  34           HB       THR  34 -11.307   8.253   2.944
  254    HG1  THR  34           HG1      THR  34 -12.394   7.289   1.425
  255   1HG2  THR  34          HG21      THR  34 -13.636   9.469   2.313
  256   2HG2  THR  34          HG22      THR  34 -12.519  10.833   2.272
  257   3HG2  THR  34          HG23      THR  34 -12.658   9.850   3.730
  258    H    ASP  35           HN       ASP  35  -8.192   9.236   2.968
  259    HA   ASP  35           HA       ASP  35  -8.658  11.425   4.855
  260   1HB   ASP  35          HB2       ASP  35  -8.347   9.071   5.710
  261   2HB   ASP  35          HB1       ASP  35  -6.677   9.182   5.161
  262    H    ASN  36           HN       ASN  36  -6.727  10.532   2.226
  263    HA   ASN  36           HA       ASN  36  -4.861  11.412   1.261
  264   1HB   ASN  36          HB2       ASN  36  -5.842  13.917   2.648
  265   2HB   ASN  36          HB1       ASN  36  -4.711  13.863   1.299
  266   1HD2  ASN  36          HD21      ASN  36  -5.588  14.322  -0.569
  267   2HD2  ASN  36          HD22      ASN  36  -7.217  13.997  -1.045
  268    H    SER  37           HN       SER  37  -4.723  10.466   4.179
  269    HA   SER  37           HA       SER  37  -2.542  12.059   5.243
  270   1HB   SER  37          HB2       SER  37  -2.547  10.426   7.092
  271   2HB   SER  37          HB1       SER  37  -4.167  11.053   6.792
  272    HG   SER  37           HG       SER  37  -4.403   8.879   6.946
  273    H    GLY  38           HN       GLY  38  -3.020   9.435   3.175
  274   1HA   GLY  38          HA2       GLY  38  -1.164   8.704   1.789
  275   2HA   GLY  38          HA1       GLY  38  -0.109   8.894   3.183
  276    H    THR  39           HN       THR  39  -2.962   7.580   4.200
  277    HA   THR  39           HA       THR  39  -2.117   4.810   3.732
  278    HB   THR  39           HB       THR  39  -2.603   4.259   6.086
  279    HG1  THR  39           HG1      THR  39  -2.602   6.973   6.754
  280   1HG2  THR  39          HG21      THR  39  -0.767   6.353   6.751
  281   2HG2  THR  39          HG22      THR  39  -0.337   5.628   5.202
  282   3HG2  THR  39          HG23      THR  39  -0.495   4.614   6.636
  283    H    ILE  40           HN       ILE  40  -3.782   3.493   3.194
  284    HA   ILE  40           HA       ILE  40  -6.469   4.684   3.364
  285    HB   ILE  40           HB       ILE  40  -5.289   2.635   1.499
  286   1HG1  ILE  40          HG12      ILE  40  -6.902   5.137   0.972
  287   2HG1  ILE  40          HG11      ILE  40  -5.140   5.085   0.988
  288   1HG2  ILE  40          HG21      ILE  40  -7.514   1.851   2.389
  289   2HG2  ILE  40          HG22      ILE  40  -7.422   2.058   0.640
  290   3HG2  ILE  40          HG23      ILE  40  -8.227   3.275   1.630
  291   1HD1  ILE  40          HD11      ILE  40  -6.773   4.718  -1.196
  292   2HD1  ILE  40          HD12      ILE  40  -6.285   3.079  -0.763
  293   3HD1  ILE  40          HD13      ILE  40  -5.061   4.306  -1.090
  294    H    THR  41           HN       THR  41  -8.130   3.651   4.392
  295    HA   THR  41           HA       THR  41  -7.473   1.099   5.722
  296    HB   THR  41           HB       THR  41  -8.861   1.804   7.601
  297    HG1  THR  41           HG1      THR  41 -10.325   3.128   6.510
  298   1HG2  THR  41          HG21      THR  41  -6.417   3.020   6.950
  299   2HG2  THR  41          HG22      THR  41  -7.148   2.822   8.543
  300   3HG2  THR  41          HG23      THR  41  -7.458   4.283   7.605
  301    H    PHE  42           HN       PHE  42  -9.197  -0.397   5.979
  302    HA   PHE  42           HA       PHE  42 -10.808  -0.918   3.873
  303   1HB   PHE  42          HB2       PHE  42 -10.442  -2.547   5.614
  304   2HB   PHE  42          HB1       PHE  42 -11.272  -1.540   6.795
  305    HD1  PHE  42           HD1      PHE  42 -12.180  -2.571   3.336
  306    HD2  PHE  42           HD2      PHE  42 -13.163  -2.637   7.472
  307    HE1  PHE  42           HE1      PHE  42 -14.295  -3.692   2.810
  308    HE2  PHE  42           HE2      PHE  42 -15.281  -3.761   6.954
  309    HZ   PHE  42           HZ       PHE  42 -15.858  -4.294   4.618
  310    H    ASP  43           HN       ASP  43 -11.639   0.993   6.736
  311    HA   ASP  43           HA       ASP  43 -14.327   1.455   6.228
  312   1HB   ASP  43          HB2       ASP  43 -13.159   2.120   8.313
  313   2HB   ASP  43          HB1       ASP  43 -12.332   3.395   7.426
  314    H    GLU  44           HN       GLU  44 -11.466   3.131   5.043
  315    HA   GLU  44           HA       GLU  44 -13.049   4.940   3.408
  316   1HB   GLU  44          HB2       GLU  44 -10.045   4.654   3.554
  317   2HB   GLU  44          HB1       GLU  44 -10.945   5.996   2.863
  318   1HG   GLU  44          HG2       GLU  44 -11.799   6.569   5.071
  319   2HG   GLU  44          HG1       GLU  44 -10.912   5.215   5.768
  320    H    LEU  45           HN       LEU  45 -11.557   1.892   3.117
  321    HA   LEU  45           HA       LEU  45 -10.703   1.884   0.474
  322   1HB   LEU  45          HB2       LEU  45 -10.321   0.064   2.150
  323   2HB   LEU  45          HB1       LEU  45 -11.983  -0.442   1.899
  324    HG   LEU  45           HG       LEU  45 -11.388  -0.714  -0.559
  325   1HD1  LEU  45          HD11      LEU  45  -8.834   0.184   0.513
  326   2HD1  LEU  45          HD12      LEU  45  -9.416   0.143  -1.151
  327   3HD1  LEU  45          HD13      LEU  45  -8.714  -1.303  -0.426
  328   1HD2  LEU  45          HD21      LEU  45  -9.794  -2.548   1.188
  329   2HD2  LEU  45          HD22      LEU  45 -10.747  -2.924  -0.247
  330   3HD2  LEU  45          HD23      LEU  45 -11.555  -2.518   1.267
  331    H    LYS  46           HN       LYS  46 -13.750   0.530   1.693
  332    HA   LYS  46           HA       LYS  46 -15.036   0.057  -0.667
  333   1HB   LYS  46          HB2       LYS  46 -17.138   0.236   0.604
  334   2HB   LYS  46          HB1       LYS  46 -15.913  -0.678   1.472
  335   1HG   LYS  46          HG2       LYS  46 -15.408   1.320   2.817
  336   2HG   LYS  46          HG1       LYS  46 -16.695   2.186   1.976
  337   1HD   LYS  46          HD2       LYS  46 -18.318   0.527   2.795
  338   2HD   LYS  46          HD1       LYS  46 -17.021  -0.291   3.668
  339   1HE   LYS  46          HE2       LYS  46 -16.629   1.740   4.978
  340   2HE   LYS  46          HE1       LYS  46 -17.934   2.549   4.111
  341   1HZ   LYS  46          HZ1       LYS  46 -18.147   1.050   6.413
  342   2HZ   LYS  46          HZ2       LYS  46 -18.827   0.088   5.199
  343   3HZ   LYS  46          HZ3       LYS  46 -19.416   1.650   5.469
  344    H    ASP  47           HN       ASP  47 -14.658   3.140   0.984
  345    HA   ASP  47           HA       ASP  47 -16.601   4.690  -0.163
  346   1HB   ASP  47          HB2       ASP  47 -13.745   5.398   0.493
  347   2HB   ASP  47          HB1       ASP  47 -14.938   6.593  -0.007
  348    H    GLY  48           HN       GLY  48 -14.069   3.122  -1.809
  349   1HA   GLY  48          HA2       GLY  48 -13.712   4.884  -3.995
  350   2HA   GLY  48          HA1       GLY  48 -13.375   3.157  -4.002
  351    H    LEU  49           HN       LEU  49 -15.538   1.834  -3.867
  352    HA   LEU  49           HA       LEU  49 -17.105   2.681  -6.170
  353   1HB   LEU  49          HB2       LEU  49 -17.000   0.085  -4.634
  354   2HB   LEU  49          HB1       LEU  49 -18.098   0.376  -5.967
  355    HG   LEU  49           HG       LEU  49 -16.108   0.750  -7.442
  356   1HD1  LEU  49          HD11      LEU  49 -14.687   0.042  -4.909
  357   2HD1  LEU  49          HD12      LEU  49 -14.334   1.319  -6.073
  358   3HD1  LEU  49          HD13      LEU  49 -13.981  -0.362  -6.474
  359   1HD2  LEU  49          HD21      LEU  49 -15.582  -1.608  -7.678
  360   2HD2  LEU  49          HD22      LEU  49 -17.305  -1.389  -7.367
  361   3HD2  LEU  49          HD23      LEU  49 -16.237  -1.933  -6.073
  362    H    LYS  50           HN       LYS  50 -17.268   2.761  -2.794
  363    HA   LYS  50           HA       LYS  50 -20.094   2.496  -2.494
  364   1HB   LYS  50          HB2       LYS  50 -18.293   2.155  -0.705
  365   2HB   LYS  50          HB1       LYS  50 -18.250   3.905  -0.575
  366   1HG   LYS  50          HG2       LYS  50 -20.792   2.348  -0.237
  367   2HG   LYS  50          HG1       LYS  50 -19.677   2.626   1.098
  368   1HD   LYS  50          HD2       LYS  50 -20.905   4.824  -0.562
  369   2HD   LYS  50          HD1       LYS  50 -21.577   4.248   0.961
  370   1HE   LYS  50          HE2       LYS  50 -20.297   6.196   1.441
  371   2HE   LYS  50          HE1       LYS  50 -19.389   4.810   2.039
  372   1HZ   LYS  50          HZ1       LYS  50 -17.850   4.985   0.332
  373   2HZ   LYS  50          HZ2       LYS  50 -18.145   6.600   0.736
  374   3HZ   LYS  50          HZ3       LYS  50 -18.861   5.929  -0.642
  375    H    ARG  51           HN       ARG  51 -17.881   5.126  -3.092
  376    HA   ARG  51           HA       ARG  51 -19.315   7.356  -2.423
  377   1HB   ARG  51          HB2       ARG  51 -17.034   7.401  -3.341
  378   2HB   ARG  51          HB1       ARG  51 -17.663   6.977  -4.927
  379   1HG   ARG  51          HG2       ARG  51 -18.919   9.075  -4.990
  380   2HG   ARG  51          HG1       ARG  51 -18.277   9.500  -3.401
  381   1HD   ARG  51          HD2       ARG  51 -17.027  10.615  -5.169
  382   2HD   ARG  51          HD1       ARG  51 -16.007   9.465  -4.307
  383    HE   ARG  51           HE       ARG  51 -15.668   8.431  -6.300
  384   1HH1  ARG  51          HH11      ARG  51 -18.755  10.046  -6.446
  385   2HH1  ARG  51          HH12      ARG  51 -19.068   9.573  -8.082
  386   1HH2  ARG  51          HH21      ARG  51 -16.077   7.803  -8.452
  387   2HH2  ARG  51          HH22      ARG  51 -17.548   8.298  -9.220
  388    H    VAL  52           HN       VAL  52 -19.782   5.286  -5.241
  389    HA   VAL  52           HA       VAL  52 -21.859   7.037  -6.284
  390    HB   VAL  52           HB       VAL  52 -22.029   5.436  -8.138
  391   1HG1  VAL  52          HG11      VAL  52 -19.691   6.955  -7.416
  392   2HG1  VAL  52          HG12      VAL  52 -20.455   6.750  -8.993
  393   3HG1  VAL  52          HG13      VAL  52 -19.257   5.582  -8.435
  394   1HG2  VAL  52          HG21      VAL  52 -20.780   3.677  -6.291
  395   2HG2  VAL  52          HG22      VAL  52 -19.720   3.845  -7.689
  396   3HG2  VAL  52          HG23      VAL  52 -21.391   3.322  -7.906
  397    H    GLY  53           HN       GLY  53 -21.558   4.065  -4.482
  398   1HA   GLY  53          HA2       GLY  53 -23.125   2.749  -3.444
  399   2HA   GLY  53          HA1       GLY  53 -24.204   4.130  -3.558
  400    H    SER  54           HN       SER  54 -22.741   2.028  -6.042
  401    HA   SER  54           HA       SER  54 -25.321   1.831  -7.357
  402   1HB   SER  54          HB2       SER  54 -23.344   2.206  -8.740
  403   2HB   SER  54          HB1       SER  54 -22.610   0.723  -8.131
  404    HG   SER  54           HG       SER  54 -23.551   0.231 -10.072
  405    H    GLU  55           HN       GLU  55 -23.132  -0.872  -7.452
  406    HA   GLU  55           HA       GLU  55 -24.760  -2.442  -5.622
  407   1HB   GLU  55          HB2       GLU  55 -25.885  -2.653  -7.819
  408   2HB   GLU  55          HB1       GLU  55 -24.384  -3.250  -8.514
  409   1HG   GLU  55          HG2       GLU  55 -24.459  -5.178  -7.014
  410   2HG   GLU  55          HG1       GLU  55 -25.969  -4.581  -6.327
  411    H    LEU  56           HN       LEU  56 -22.560  -2.066  -4.636
  412    HA   LEU  56           HA       LEU  56 -20.447  -3.740  -5.737
  413   1HB   LEU  56          HB2       LEU  56 -20.043  -2.510  -3.089
  414   2HB   LEU  56          HB1       LEU  56 -18.967  -2.590  -4.468
  415    HG   LEU  56           HG       LEU  56 -19.394  -0.304  -4.125
  416   1HD1  LEU  56          HD11      LEU  56 -19.975   0.330  -6.211
  417   2HD1  LEU  56          HD12      LEU  56 -21.427  -0.671  -6.233
  418   3HD1  LEU  56          HD13      LEU  56 -19.847  -1.406  -6.500
  419   1HD2  LEU  56          HD21      LEU  56 -21.155   0.259  -2.898
  420   2HD2  LEU  56          HD22      LEU  56 -22.018  -1.219  -3.321
  421   3HD2  LEU  56          HD23      LEU  56 -22.098   0.184  -4.386
  422    H    MET  57           HN       MET  57 -19.151  -4.848  -3.836
  423    HA   MET  57           HA       MET  57 -21.088  -6.505  -2.365
  424   1HB   MET  57          HB2       MET  57 -18.339  -7.247  -3.387
  425   2HB   MET  57          HB1       MET  57 -19.373  -8.290  -2.425
  426   1HG   MET  57          HG2       MET  57 -19.514  -8.952  -4.704
  427   2HG   MET  57          HG1       MET  57 -21.051  -8.227  -4.236
  428   1HE   MET  57          HE1       MET  57 -17.872  -6.215  -6.900
  429   2HE   MET  57          HE2       MET  57 -17.671  -7.736  -6.030
  430   3HE   MET  57          HE3       MET  57 -17.703  -6.211  -5.145
  431    H    GLU  58           HN       GLU  58 -21.125  -5.486  -0.399
  432    HA   GLU  58           HA       GLU  58 -18.906  -4.302   0.859
  433   1HB   GLU  58          HB2       GLU  58 -21.237  -3.840   1.523
  434   2HB   GLU  58          HB1       GLU  58 -21.392  -5.486   2.121
  435   1HG   GLU  58          HG2       GLU  58 -19.668  -5.039   3.795
  436   2HG   GLU  58          HG1       GLU  58 -19.522  -3.386   3.198
  437    H    SER  59           HN       SER  59 -19.795  -7.512   0.341
  438    HA   SER  59           HA       SER  59 -18.270  -8.618   2.550
  439   1HB   SER  59          HB2       SER  59 -18.967 -10.805   1.623
  440   2HB   SER  59          HB1       SER  59 -20.342  -9.736   1.901
  441    HG   SER  59           HG       SER  59 -20.115 -10.929  -0.220
  442    H    GLU  60           HN       GLU  60 -17.729  -7.657  -0.695
  443    HA   GLU  60           HA       GLU  60 -15.456  -9.444  -1.057
  444   1HB   GLU  60          HB2       GLU  60 -17.025  -8.863  -2.937
  445   2HB   GLU  60          HB1       GLU  60 -16.415  -7.216  -2.862
  446   1HG   GLU  60          HG2       GLU  60 -15.305  -8.342  -4.637
  447   2HG   GLU  60          HG1       GLU  60 -14.143  -8.100  -3.333
  448    H    ILE  61           HN       ILE  61 -16.192  -6.048  -0.560
  449    HA   ILE  61           HA       ILE  61 -13.633  -4.966  -0.848
  450    HB   ILE  61           HB       ILE  61 -15.748  -3.982   1.064
  451   1HG1  ILE  61          HG12      ILE  61 -15.428  -3.444  -1.899
  452   2HG1  ILE  61          HG11      ILE  61 -16.706  -4.403  -1.165
  453   1HG2  ILE  61          HG21      ILE  61 -13.219  -3.069   0.725
  454   2HG2  ILE  61          HG22      ILE  61 -14.580  -2.061   1.218
  455   3HG2  ILE  61          HG23      ILE  61 -14.084  -2.107  -0.474
  456   1HD1  ILE  61          HD11      ILE  61 -17.539  -2.222  -1.722
  457   2HD1  ILE  61          HD12      ILE  61 -16.247  -1.454  -0.801
  458   3HD1  ILE  61          HD13      ILE  61 -17.483  -2.398   0.031
  459    H    LYS  62           HN       LYS  62 -15.028  -6.792   1.775
  460    HA   LYS  62           HA       LYS  62 -13.147  -5.948   3.755
  461   1HB   LYS  62          HB2       LYS  62 -14.072  -7.684   5.152
  462   2HB   LYS  62          HB1       LYS  62 -15.381  -6.859   4.324
  463   1HG   LYS  62          HG2       LYS  62 -16.034  -9.035   4.105
  464   2HG   LYS  62          HG1       LYS  62 -15.129  -8.820   2.608
  465   1HD   LYS  62          HD2       LYS  62 -14.475 -10.910   3.587
  466   2HD   LYS  62          HD1       LYS  62 -13.134  -9.780   3.757
  467   1HE   LYS  62          HE2       LYS  62 -13.463 -11.051   5.808
  468   2HE   LYS  62          HE1       LYS  62 -13.791  -9.338   6.068
  469   1HZ   LYS  62          HZ1       LYS  62 -15.809 -11.486   5.696
  470   2HZ   LYS  62          HZ2       LYS  62 -16.172  -9.839   5.825
  471   3HZ   LYS  62          HZ3       LYS  62 -15.473 -10.654   7.131
  472    H    ASP  63           HN       ASP  63 -13.396  -8.754   1.601
  473    HA   ASP  63           HA       ASP  63 -10.932  -9.893   2.581
  474   1HB   ASP  63          HB2       ASP  63 -11.253 -11.574   0.818
  475   2HB   ASP  63          HB1       ASP  63 -12.727 -11.357   1.755
  476    H    LEU  64           HN       LEU  64 -11.943  -7.673   0.179
  477    HA   LEU  64           HA       LEU  64  -9.659  -7.861  -1.522
  478   1HB   LEU  64          HB2       LEU  64 -11.899  -5.886  -1.189
  479   2HB   LEU  64          HB1       LEU  64 -10.526  -5.504  -2.219
  480    HG   LEU  64           HG       LEU  64 -12.423  -7.832  -2.563
  481   1HD1  LEU  64          HD11      LEU  64 -13.476  -5.762  -3.165
  482   2HD1  LEU  64          HD12      LEU  64 -13.042  -6.625  -4.640
  483   3HD1  LEU  64          HD13      LEU  64 -12.063  -5.263  -4.095
  484   1HD2  LEU  64          HD21      LEU  64  -9.768  -7.619  -3.401
  485   2HD2  LEU  64          HD22      LEU  64 -10.738  -7.233  -4.822
  486   3HD2  LEU  64          HD23      LEU  64 -10.982  -8.762  -3.977
  487    H    MET  65           HN       MET  65 -10.445  -6.251   1.428
  488    HA   MET  65           HA       MET  65  -8.236  -4.388   1.295
  489   1HB   MET  65          HB2       MET  65 -10.376  -3.823   2.429
  490   2HB   MET  65          HB1       MET  65 -10.051  -5.079   3.614
  491   1HG   MET  65          HG2       MET  65  -9.515  -2.818   4.413
  492   2HG   MET  65          HG1       MET  65  -8.123  -3.902   4.418
  493   1HE   MET  65          HE1       MET  65  -7.384  -0.141   3.916
  494   2HE   MET  65          HE2       MET  65  -6.061  -1.301   4.028
  495   3HE   MET  65          HE3       MET  65  -7.493  -1.497   5.038
  496    H    ASP  66           HN       ASP  66  -9.054  -7.405   2.937
  497    HA   ASP  66           HA       ASP  66  -6.655  -7.485   4.497
  498   1HB   ASP  66          HB2       ASP  66  -8.665  -8.639   5.257
  499   2HB   ASP  66          HB1       ASP  66  -8.650  -9.657   3.820
  500    H    ALA  67           HN       ALA  67  -7.507  -8.389   1.285
  501    HA   ALA  67           HA       ALA  67  -5.600 -10.406   0.816
  502   1HB   ALA  67          HB1       ALA  67  -5.999 -10.036  -1.520
  503   2HB   ALA  67          HB2       ALA  67  -6.678  -8.440  -1.198
  504   3HB   ALA  67          HB3       ALA  67  -7.531  -9.887  -0.660
  505    H    ALA  68           HN       ALA  68  -5.472  -6.941  -0.035
  506    HA   ALA  68           HA       ALA  68  -2.720  -7.053  -0.773
  507   1HB   ALA  68          HB1       ALA  68  -3.688  -5.325  -1.876
  508   2HB   ALA  68          HB2       ALA  68  -3.110  -4.429  -0.471
  509   3HB   ALA  68          HB3       ALA  68  -4.792  -4.953  -0.553
  510    H    ASP  69           HN       ASP  69  -4.428  -5.649   2.021
  511    HA   ASP  69           HA       ASP  69  -1.943  -5.078   3.375
  512   1HB   ASP  69          HB2       ASP  69  -3.812  -3.552   3.649
  513   2HB   ASP  69          HB1       ASP  69  -4.819  -4.850   4.286
  514    H    ILE  70           HN       ILE  70  -0.864  -6.867   3.954
  515    HA   ILE  70           HA       ILE  70  -2.204  -9.159   5.105
  516    HB   ILE  70           HB       ILE  70  -0.291  -9.490   3.589
  517   1HG1  ILE  70          HG12      ILE  70   0.284 -10.379   6.427
  518   2HG1  ILE  70          HG11      ILE  70  -0.823 -11.179   5.318
  519   1HG2  ILE  70          HG21      ILE  70   0.862  -7.427   5.091
  520   2HG2  ILE  70          HG22      ILE  70   1.591  -8.322   3.757
  521   3HG2  ILE  70          HG23      ILE  70   1.833  -8.862   5.419
  522   1HD1  ILE  70          HD11      ILE  70   2.155 -11.082   5.275
  523   2HD1  ILE  70          HD12      ILE  70   1.257 -11.365   3.783
  524   3HD1  ILE  70          HD13      ILE  70   1.073 -12.468   5.147
  525    H    ASP  71           HN       ASP  71  -0.594  -6.310   6.149
  526    HA   ASP  71           HA       ASP  71   0.386  -7.045   8.644
  527   1HB   ASP  71          HB2       ASP  71   0.744  -4.843   7.522
  528   2HB   ASP  71          HB1       ASP  71  -0.916  -4.411   7.916
  529    H    LYS  72           HN       LYS  72  -2.871  -6.648   7.546
  530    HA   LYS  72           HA       LYS  72  -4.895  -6.997   8.541
  531   1HB   LYS  72          HB2       LYS  72  -3.242  -8.146  10.798
  532   2HB   LYS  72          HB1       LYS  72  -4.973  -8.363  10.576
  533   1HG   LYS  72          HG2       LYS  72  -4.703  -9.804   8.801
  534   2HG   LYS  72          HG1       LYS  72  -3.087  -9.201   8.424
  535   1HD   LYS  72          HD2       LYS  72  -2.229 -10.211  10.468
  536   2HD   LYS  72          HD1       LYS  72  -3.841 -10.819  10.853
  537   1HE   LYS  72          HE2       LYS  72  -2.204 -11.553   8.427
  538   2HE   LYS  72          HE1       LYS  72  -2.447 -12.563   9.852
  539   1HZ   LYS  72          HZ1       LYS  72  -4.932 -11.698   8.783
  540   2HZ   LYS  72          HZ2       LYS  72  -4.374 -13.272   9.050
  541   3HZ   LYS  72          HZ3       LYS  72  -4.019 -12.485   7.595
  542    H    SER  73           HN       SER  73  -2.735  -4.835   9.426
  543    HA   SER  73           HA       SER  73  -3.696  -3.883  11.935
  544   1HB   SER  73          HB2       SER  73  -2.377  -1.858  11.429
  545   2HB   SER  73          HB1       SER  73  -1.450  -3.330  11.139
  546    HG   SER  73           HG       SER  73  -1.604  -1.478   9.470
  547    H    GLY  74           HN       GLY  74  -5.275  -4.033   9.093
  548   1HA   GLY  74          HA2       GLY  74  -7.333  -3.129   8.524
  549   2HA   GLY  74          HA1       GLY  74  -7.208  -2.056   9.910
  550    H    THR  75           HN       THR  75  -4.374  -1.539   8.589
  551    HA   THR  75           HA       THR  75  -5.362   0.506   6.711
  552    HB   THR  75           HB       THR  75  -3.500   1.932   7.419
  553    HG1  THR  75           HG1      THR  75  -1.941   1.192   8.607
  554   1HG2  THR  75          HG21      THR  75  -5.188   2.606   8.758
  555   2HG2  THR  75          HG22      THR  75  -4.114   1.965  10.000
  556   3HG2  THR  75          HG23      THR  75  -5.464   0.993   9.415
  557    H    ILE  76           HN       ILE  76  -4.581   0.392   4.707
  558    HA   ILE  76           HA       ILE  76  -2.423  -1.493   4.162
  559    HB   ILE  76           HB       ILE  76  -4.462  -1.778   2.854
  560   1HG1  ILE  76          HG12      ILE  76  -2.130  -0.748   1.216
  561   2HG1  ILE  76          HG11      ILE  76  -2.317  -2.385   1.837
  562   1HG2  ILE  76          HG21      ILE  76  -4.288   0.441   1.075
  563   2HG2  ILE  76          HG22      ILE  76  -4.404   1.044   2.729
  564   3HG2  ILE  76          HG23      ILE  76  -5.634  -0.054   2.101
  565   1HD1  ILE  76          HD11      ILE  76  -3.209  -2.872  -0.135
  566   2HD1  ILE  76          HD12      ILE  76  -3.400  -1.170  -0.558
  567   3HD1  ILE  76          HD13      ILE  76  -4.633  -1.983   0.406
  568    H    ASP  77           HN       ASP  77  -0.491  -0.934   3.389
  569    HA   ASP  77           HA       ASP  77  -0.010   1.923   2.838
  570   1HB   ASP  77          HB2       ASP  77   1.921  -0.090   4.014
  571   2HB   ASP  77          HB1       ASP  77   2.266   1.607   3.696
  572    H    TYR  78           HN       TYR  78   1.846   2.335   1.384
  573    HA   TYR  78           HA       TYR  78   1.559   0.987  -1.065
  574   1HB   TYR  78          HB2       TYR  78   2.405   3.351  -0.667
  575   2HB   TYR  78          HB1       TYR  78   3.949   2.632  -0.238
  576    HD1  TYR  78           HD1      TYR  78   5.545   2.590  -1.886
  577    HD2  TYR  78           HD2      TYR  78   1.448   2.408  -3.015
  578    HE1  TYR  78           HE1      TYR  78   6.205   2.620  -4.252
  579    HE2  TYR  78           HE2      TYR  78   2.093   2.434  -5.387
  580    HH   TYR  78           HH       TYR  78   4.648   1.637  -6.609
  581    H    GLY  79           HN       GLY  79   3.756   0.551   1.611
  582   1HA   GLY  79          HA2       GLY  79   5.743  -0.970   0.334
  583   2HA   GLY  79          HA1       GLY  79   5.385  -1.002   2.050
  584    H    GLU  80           HN       GLU  80   2.797  -2.054   2.019
  585    HA   GLU  80           HA       GLU  80   3.428  -4.818   1.409
  586   1HB   GLU  80          HB2       GLU  80   1.314  -5.310   2.619
  587   2HB   GLU  80          HB1       GLU  80   2.469  -4.384   3.568
  588   1HG   GLU  80          HG2       GLU  80   1.220  -2.335   3.064
  589   2HG   GLU  80          HG1       GLU  80   0.049  -3.288   2.153
  590    H    PHE  81           HN       PHE  81   0.992  -2.422   0.487
  591    HA   PHE  81           HA       PHE  81  -0.737  -3.867  -1.034
  592   1HB   PHE  81          HB2       PHE  81  -1.022  -1.486  -0.700
  593   2HB   PHE  81          HB1       PHE  81   0.422  -1.142  -1.646
  594    HD1  PHE  81           HD1      PHE  81  -0.096  -0.133  -3.623
  595    HD2  PHE  81           HD2      PHE  81  -2.605  -3.260  -2.202
  596    HE1  PHE  81           HE1      PHE  81  -1.466   0.048  -5.659
  597    HE2  PHE  81           HE2      PHE  81  -3.981  -3.088  -4.235
  598    HZ   PHE  81           HZ       PHE  81  -3.411  -1.433  -5.968
  599    H    ILE  82           HN       ILE  82   2.424  -2.635  -2.097
  600    HA   ILE  82           HA       ILE  82   2.168  -3.770  -4.722
  601    HB   ILE  82           HB       ILE  82   3.520  -1.743  -4.299
  602   1HG1  ILE  82          HG12      ILE  82   5.486  -2.432  -5.662
  603   2HG1  ILE  82          HG11      ILE  82   5.041  -4.116  -5.403
  604   1HG2  ILE  82          HG21      ILE  82   4.432  -2.469  -2.115
  605   2HG2  ILE  82          HG22      ILE  82   5.670  -1.873  -3.222
  606   3HG2  ILE  82          HG23      ILE  82   5.477  -3.607  -2.966
  607   1HD1  ILE  82          HD11      ILE  82   3.904  -2.117  -7.221
  608   2HD1  ILE  82          HD12      ILE  82   2.728  -3.136  -6.391
  609   3HD1  ILE  82          HD13      ILE  82   3.999  -3.871  -7.369
  610    H    ALA  83           HN       ALA  83   3.536  -4.772  -1.670
  611    HA   ALA  83           HA       ALA  83   5.248  -6.805  -2.552
  612   1HB   ALA  83          HB1       ALA  83   5.268  -5.954  -0.268
  613   2HB   ALA  83          HB2       ALA  83   5.066  -7.706  -0.288
  614   3HB   ALA  83          HB3       ALA  83   3.678  -6.661   0.019
  615    H    ALA  84           HN       ALA  84   1.821  -6.641  -2.485
  616    HA   ALA  84           HA       ALA  84   1.199  -9.387  -2.279
  617   1HB   ALA  84          HB1       ALA  84  -0.785  -8.256  -3.860
  618   2HB   ALA  84          HB2       ALA  84  -0.204  -6.926  -2.858
  619   3HB   ALA  84          HB3       ALA  84  -0.791  -8.407  -2.102
  620    H    THR  85           HN       THR  85   1.605 -10.986  -3.652
  621    HA   THR  85           HA       THR  85   2.738 -10.527  -6.219
  622    HB   THR  85           HB       THR  85   2.620 -12.988  -6.465
  623    HG1  THR  85           HG1      THR  85   1.585 -14.214  -5.011
  624   1HG2  THR  85          HG21      THR  85   3.534 -12.245  -3.699
  625   2HG2  THR  85          HG22      THR  85   4.472 -11.982  -5.170
  626   3HG2  THR  85          HG23      THR  85   4.060 -13.622  -4.668
  627    H    VAL  86           HN       VAL  86   1.888 -11.260  -8.264
  628    HA   VAL  86           HA       VAL  86  -0.929 -10.607  -8.531
  629    HB   VAL  86           HB       VAL  86  -0.520 -10.652 -10.952
  630   1HG1  VAL  86          HG11      VAL  86   1.385  -8.872 -10.910
  631   2HG1  VAL  86          HG12      VAL  86   1.235  -9.032  -9.160
  632   3HG1  VAL  86          HG13      VAL  86  -0.156  -8.532 -10.122
  633   1HG2  VAL  86          HG21      VAL  86   2.247 -10.758 -11.185
  634   2HG2  VAL  86          HG22      VAL  86   1.094 -11.978 -11.724
  635   3HG2  VAL  86          HG23      VAL  86   1.838 -12.111 -10.131
  636    H    HIS  87           HN       HIS  87   0.813 -13.370  -7.989
  637    HA   HIS  87           HA       HIS  87   0.380 -15.596  -8.132
  638   1HB   HIS  87          HB2       HIS  87  -1.718 -14.914  -7.029
  639   2HB   HIS  87          HB1       HIS  87  -2.459 -14.653  -8.603
  640    HD1  HIS  87           HD1      HIS  87  -2.204 -17.049 -10.156
  641    HD2  HIS  87           HD2      HIS  87  -2.465 -17.288  -6.016
  642    HE1  HIS  87           HE1      HIS  87  -2.967 -19.395  -9.664
  643    HE2  HIS  87           HE2      HIS  87  -3.050 -19.537  -7.150
  Start of MODEL    6
    1   1H    HIS   1           HT1      HIS   1 -29.741  -9.926  -7.732
    2   2H    HIS   1           HT2      HIS   1 -30.294 -11.056  -8.863
    3   3H    HIS   1           HT3      HIS   1 -28.760 -10.364  -9.040
    4    HA   HIS   1           HA       HIS   1 -29.562 -12.076  -6.759
    5   1HB   HIS   1          HB2       HIS   1 -29.562 -13.235  -8.983
    6   2HB   HIS   1          HB1       HIS   1 -27.872 -12.784  -9.170
    7    HD1  HIS   1           HD1      HIS   1 -27.948 -15.589  -9.344
    8    HD2  HIS   1           HD2      HIS   1 -28.238 -13.820  -5.595
    9    HE1  HIS   1           HE1      HIS   1 -27.338 -17.392  -7.700
   10    HE2  HIS   1           HE2      HIS   1 -27.541 -16.305  -5.436
   11    H    SER   2           HN       SER   2 -27.040 -10.395  -8.579
   12    HA   SER   2           HA       SER   2 -25.005 -10.930  -6.616
   13   1HB   SER   2          HB2       SER   2 -23.616  -9.407  -8.000
   14   2HB   SER   2          HB1       SER   2 -24.374 -10.679  -8.958
   15    HG   SER   2           HG       SER   2 -24.561  -8.056  -9.282
   16    H    SER   3           HN       SER   3 -26.528 -10.046  -4.895
   17    HA   SER   3           HA       SER   3 -25.854  -7.224  -4.454
   18   1HB   SER   3          HB2       SER   3 -28.571  -8.470  -3.967
   19   2HB   SER   3          HB1       SER   3 -28.102  -6.839  -3.487
   20    HG   SER   3           HG       SER   3 -29.139  -7.529  -5.757
   21    H    GLY   4           HN       GLY   4 -24.821  -9.853  -3.482
   22   1HA   GLY   4          HA2       GLY   4 -25.475  -9.645  -0.620
   23   2HA   GLY   4          HA1       GLY   4 -24.731 -11.036  -1.396
   24    H    HIS   5           HN       HIS   5 -22.925  -9.138  -2.906
   25    HA   HIS   5           HA       HIS   5 -21.190  -8.269  -0.705
   26   1HB   HIS   5          HB2       HIS   5 -20.320  -9.949  -3.065
   27   2HB   HIS   5          HB1       HIS   5 -19.224  -9.199  -1.909
   28    HD1  HIS   5           HD1      HIS   5 -20.008  -9.957   0.736
   29    HD2  HIS   5           HD2      HIS   5 -20.716 -12.537  -2.444
   30    HE1  HIS   5           HE1      HIS   5 -20.274 -12.236   1.765
   31    HE2  HIS   5           HE2      HIS   5 -20.764 -13.771  -0.172
   32    H    ILE   6           HN       ILE   6 -22.499  -7.778  -3.823
   33    HA   ILE   6           HA       ILE   6 -20.651  -5.559  -4.364
   34    HB   ILE   6           HB       ILE   6 -22.717  -6.763  -6.212
   35   1HG1  ILE   6          HG12      ILE   6 -20.961  -8.389  -5.683
   36   2HG1  ILE   6          HG11      ILE   6 -20.816  -7.835  -7.347
   37   1HG2  ILE   6          HG21      ILE   6 -20.440  -5.278  -7.314
   38   2HG2  ILE   6          HG22      ILE   6 -21.575  -4.305  -6.379
   39   3HG2  ILE   6          HG23      ILE   6 -22.146  -5.241  -7.760
   40   1HD1  ILE   6          HD11      ILE   6 -18.738  -7.166  -6.994
   41   2HD1  ILE   6          HD12      ILE   6 -18.830  -7.897  -5.391
   42   3HD1  ILE   6          HD13      ILE   6 -19.229  -6.192  -5.608
   43    H    ASP   7           HN       ASP   7 -21.722  -4.363  -2.598
   44    HA   ASP   7           HA       ASP   7 -24.031  -2.888  -3.641
   45   1HB   ASP   7          HB2       ASP   7 -23.792  -3.936  -0.812
   46   2HB   ASP   7          HB1       ASP   7 -25.048  -2.844  -1.384
   47    H    ASP   8           HN       ASP   8 -22.615  -2.615  -0.435
   48    HA   ASP   8           HA       ASP   8 -20.750  -0.583  -1.001
   49   1HB   ASP   8          HB2       ASP   8 -21.980   1.350  -0.022
   50   2HB   ASP   8          HB1       ASP   8 -22.658   0.798  -1.550
   51    H    ASP   9           HN       ASP   9 -19.668  -2.050   0.431
   52    HA   ASP   9           HA       ASP   9 -19.969  -1.267   3.206
   53   1HB   ASP   9          HB2       ASP   9 -21.471  -3.217   2.989
   54   2HB   ASP   9          HB1       ASP   9 -20.122  -4.178   2.394
   55    H    ASP  10           HN       ASP  10 -18.371  -4.121   1.844
   56    HA   ASP  10           HA       ASP  10 -15.849  -3.200   2.938
   57   1HB   ASP  10          HB2       ASP  10 -16.579  -5.788   1.557
   58   2HB   ASP  10          HB1       ASP  10 -15.020  -5.445   2.300
   59    H    LYS  11           HN       LYS  11 -17.337  -3.729  -0.169
   60    HA   LYS  11           HA       LYS  11 -14.866  -3.170  -1.594
   61   1HB   LYS  11          HB2       LYS  11 -17.655  -3.718  -2.625
   62   2HB   LYS  11          HB1       LYS  11 -16.224  -3.532  -3.630
   63   1HG   LYS  11          HG2       LYS  11 -15.226  -5.496  -2.539
   64   2HG   LYS  11          HG1       LYS  11 -16.699  -5.694  -1.588
   65   1HD   LYS  11          HD2       LYS  11 -17.986  -5.984  -3.656
   66   2HD   LYS  11          HD1       LYS  11 -16.506  -5.798  -4.599
   67   1HE   LYS  11          HE2       LYS  11 -17.058  -8.146  -4.367
   68   2HE   LYS  11          HE1       LYS  11 -15.572  -7.783  -3.491
   69   1HZ   LYS  11          HZ1       LYS  11 -18.257  -7.979  -2.240
   70   2HZ   LYS  11          HZ2       LYS  11 -16.784  -7.763  -1.436
   71   3HZ   LYS  11          HZ3       LYS  11 -17.103  -9.217  -2.239
   72    H    HIS  12           HN       HIS  12 -17.351  -1.415  -0.212
   73    HA   HIS  12           HA       HIS  12 -17.548   0.691  -2.145
   74   1HB   HIS  12          HB2       HIS  12 -19.385   0.243  -0.594
   75   2HB   HIS  12          HB1       HIS  12 -18.343   0.613   0.775
   76    HD1  HIS  12           HD1      HIS  12 -19.363   2.467  -2.401
   77    HD2  HIS  12           HD2      HIS  12 -18.839   3.102   1.671
   78    HE1  HIS  12           HE1      HIS  12 -19.956   4.880  -2.016
   79    HE2  HIS  12           HE2      HIS  12 -19.546   5.264   0.440
   80    H    MET  13           HN       MET  13 -15.504  -0.040   0.564
   81    HA   MET  13           HA       MET  13 -14.487   2.556   1.032
   82   1HB   MET  13          HB2       MET  13 -13.199  -0.136   1.521
   83   2HB   MET  13          HB1       MET  13 -12.627   1.393   2.174
   84   1HG   MET  13          HG2       MET  13 -15.288   0.112   2.755
   85   2HG   MET  13          HG1       MET  13 -13.886   0.125   3.824
   86   1HE   MET  13          HE1       MET  13 -15.351   1.366   5.924
   87   2HE   MET  13          HE2       MET  13 -16.598   0.866   4.781
   88   3HE   MET  13          HE3       MET  13 -16.612   2.501   5.442
   89    H    ALA  14           HN       ALA  14 -13.939   0.249  -1.443
   90    HA   ALA  14           HA       ALA  14 -11.442   1.516  -2.286
   91   1HB   ALA  14          HB1       ALA  14 -10.922  -0.556  -2.892
   92   2HB   ALA  14          HB2       ALA  14 -12.173  -0.470  -4.132
   93   3HB   ALA  14          HB3       ALA  14 -12.557  -1.112  -2.535
   94    H    GLU  15           HN       GLU  15 -14.793   1.588  -2.930
   95    HA   GLU  15           HA       GLU  15 -14.491   2.598  -5.639
   96   1HB   GLU  15          HB2       GLU  15 -16.962   2.255  -3.933
   97   2HB   GLU  15          HB1       GLU  15 -16.956   2.737  -5.623
   98   1HG   GLU  15          HG2       GLU  15 -15.964   0.107  -4.546
   99   2HG   GLU  15          HG1       GLU  15 -17.515   0.378  -5.337
  100    H    ARG  16           HN       ARG  16 -14.771   3.791  -2.437
  101    HA   ARG  16           HA       ARG  16 -15.729   6.408  -3.183
  102   1HB   ARG  16          HB2       ARG  16 -15.362   6.974  -0.820
  103   2HB   ARG  16          HB1       ARG  16 -16.292   5.492  -0.992
  104   1HG   ARG  16          HG2       ARG  16 -14.313   4.169  -0.515
  105   2HG   ARG  16          HG1       ARG  16 -13.343   5.640  -0.400
  106   1HD   ARG  16          HD2       ARG  16 -15.668   4.905   1.375
  107   2HD   ARG  16          HD1       ARG  16 -13.963   4.803   1.810
  108    HE   ARG  16           HE       ARG  16 -14.509   7.423   0.999
  109   1HH1  ARG  16          HH11      ARG  16 -15.304   5.230   3.588
  110   2HH1  ARG  16          HH12      ARG  16 -15.529   6.488   4.757
  111   1HH2  ARG  16          HH21      ARG  16 -14.805   9.085   2.531
  112   2HH2  ARG  16          HH22      ARG  16 -15.246   8.679   4.156
  113    H    LEU  17           HN       LEU  17 -14.277   8.229  -1.927
  114    HA   LEU  17           HA       LEU  17 -11.899   8.392  -3.537
  115   1HB   LEU  17          HB2       LEU  17 -12.972  10.270  -1.427
  116   2HB   LEU  17          HB1       LEU  17 -11.614  10.613  -2.479
  117    HG   LEU  17           HG       LEU  17 -13.486  11.775  -3.358
  118   1HD1  LEU  17          HD11      LEU  17 -13.397   9.336  -5.092
  119   2HD1  LEU  17          HD12      LEU  17 -12.000  10.400  -4.930
  120   3HD1  LEU  17          HD13      LEU  17 -13.522  11.032  -5.559
  121   1HD2  LEU  17          HD21      LEU  17 -15.099  10.115  -2.133
  122   2HD2  LEU  17          HD22      LEU  17 -15.120   9.307  -3.701
  123   3HD2  LEU  17          HD23      LEU  17 -15.630  10.990  -3.570
  124    H    SER  18           HN       SER  18  -9.864   9.313  -2.367
  125    HA   SER  18           HA       SER  18  -9.352   7.630  -0.002
  126   1HB   SER  18          HB2       SER  18  -7.413   8.390  -2.200
  127   2HB   SER  18          HB1       SER  18  -7.023   7.426  -0.776
  128    HG   SER  18           HG       SER  18  -8.793   6.004  -1.577
  129    H    GLU  19           HN       GLU  19  -9.894   9.337   1.418
  130    HA   GLU  19           HA       GLU  19  -8.419  11.825   1.272
  131   1HB   GLU  19          HB2       GLU  19 -10.333  10.820   3.386
  132   2HB   GLU  19          HB1       GLU  19  -9.701  12.456   3.265
  133   1HG   GLU  19          HG2       GLU  19 -11.461  11.092   1.241
  134   2HG   GLU  19          HG1       GLU  19 -11.972  12.309   2.410
  135    H    GLU  20           HN       GLU  20  -7.795   8.778   2.452
  136    HA   GLU  20           HA       GLU  20  -6.455   9.415   4.880
  137   1HB   GLU  20          HB2       GLU  20  -6.295   7.005   3.071
  138   2HB   GLU  20          HB1       GLU  20  -5.461   7.122   4.614
  139   1HG   GLU  20          HG2       GLU  20  -7.501   5.862   4.860
  140   2HG   GLU  20          HG1       GLU  20  -7.613   7.377   5.752
  141    H    GLU  21           HN       GLU  21  -5.144   8.366   1.732
  142    HA   GLU  21           HA       GLU  21  -2.471   8.944   2.338
  143   1HB   GLU  21          HB2       GLU  21  -3.839   8.826  -0.354
  144   2HB   GLU  21          HB1       GLU  21  -2.099   8.846  -0.115
  145   1HG   GLU  21          HG2       GLU  21  -2.742   6.603  -0.512
  146   2HG   GLU  21          HG1       GLU  21  -2.329   6.738   1.195
  147    H    ILE  22           HN       ILE  22  -4.424  10.718  -0.046
  148    HA   ILE  22           HA       ILE  22  -2.759  12.946  -0.184
  149    HB   ILE  22           HB       ILE  22  -4.550  14.090  -1.327
  150   1HG1  ILE  22          HG12      ILE  22  -6.331  11.833  -0.382
  151   2HG1  ILE  22          HG11      ILE  22  -6.380  13.488   0.214
  152   1HG2  ILE  22          HG21      ILE  22  -3.418  11.708  -2.099
  153   2HG2  ILE  22          HG22      ILE  22  -4.313  12.815  -3.142
  154   3HG2  ILE  22          HG23      ILE  22  -5.138  11.447  -2.394
  155   1HD1  ILE  22          HD11      ILE  22  -7.139  12.471  -2.503
  156   2HD1  ILE  22          HD12      ILE  22  -6.889  14.183  -2.161
  157   3HD1  ILE  22          HD13      ILE  22  -8.151  13.290  -1.313
  158    H    GLY  23           HN       GLY  23  -4.849  12.080   2.364
  159   1HA   GLY  23          HA2       GLY  23  -5.508  14.777   3.136
  160   2HA   GLY  23          HA1       GLY  23  -5.836  13.322   4.057
  161    H    GLY  24           HN       GLY  24  -3.737  12.283   4.996
  162   1HA   GLY  24          HA2       GLY  24  -2.371  14.462   6.394
  163   2HA   GLY  24          HA1       GLY  24  -2.461  12.796   6.924
  164    H    LEU  25           HN       LEU  25  -1.317  11.245   5.334
  165    HA   LEU  25           HA       LEU  25   1.418  11.911   5.403
  166   1HB   LEU  25          HB2       LEU  25   0.274   9.618   5.561
  167   2HB   LEU  25          HB1       LEU  25   0.300   9.635   3.808
  168    HG   LEU  25           HG       LEU  25   2.758   9.843   3.856
  169   1HD1  LEU  25          HD11      LEU  25   3.910   9.400   6.021
  170   2HD1  LEU  25          HD12      LEU  25   2.363   9.637   6.835
  171   3HD1  LEU  25          HD13      LEU  25   3.101  10.965   5.939
  172   1HD2  LEU  25          HD21      LEU  25   3.194   7.551   4.833
  173   2HD2  LEU  25          HD22      LEU  25   1.934   7.644   3.603
  174   3HD2  LEU  25          HD23      LEU  25   1.496   7.531   5.307
  175    H    LYS  26           HN       LYS  26  -0.855  12.789   3.113
  176    HA   LYS  26           HA       LYS  26   0.140  12.470   0.628
  177   1HB   LYS  26          HB2       LYS  26  -1.861  13.792   1.142
  178   2HB   LYS  26          HB1       LYS  26  -0.848  15.093   1.751
  179   1HG   LYS  26          HG2       LYS  26   0.134  15.353  -0.486
  180   2HG   LYS  26          HG1       LYS  26  -0.932  14.081  -1.084
  181   1HD   LYS  26          HD2       LYS  26  -2.881  15.433  -0.465
  182   2HD   LYS  26          HD1       LYS  26  -1.809  16.706   0.121
  183   1HE   LYS  26          HE2       LYS  26  -1.948  15.683  -2.714
  184   2HE   LYS  26          HE1       LYS  26  -2.659  17.187  -2.128
  185   1HZ   LYS  26          HZ1       LYS  26   0.154  16.520  -2.599
  186   2HZ   LYS  26          HZ2       LYS  26  -0.209  17.614  -1.360
  187   3HZ   LYS  26          HZ3       LYS  26  -0.690  17.945  -2.947
  188    H    GLU  27           HN       GLU  27   1.729  14.229   3.151
  189    HA   GLU  27           HA       GLU  27   3.483  15.676   1.367
  190   1HB   GLU  27          HB2       GLU  27   2.824  16.677   3.490
  191   2HB   GLU  27          HB1       GLU  27   3.528  15.322   4.365
  192   1HG   GLU  27          HG2       GLU  27   4.974  17.272   4.440
  193   2HG   GLU  27          HG1       GLU  27   5.742  15.941   3.577
  194    H    LEU  28           HN       LEU  28   3.783  12.989   3.660
  195    HA   LEU  28           HA       LEU  28   6.520  12.493   2.844
  196   1HB   LEU  28          HB2       LEU  28   5.981  12.320   5.183
  197   2HB   LEU  28          HB1       LEU  28   4.716  11.156   4.850
  198    HG   LEU  28           HG       LEU  28   6.421   9.535   4.104
  199   1HD1  LEU  28          HD11      LEU  28   8.474  10.191   3.591
  200   2HD1  LEU  28          HD12      LEU  28   8.738  10.682   5.264
  201   3HD1  LEU  28          HD13      LEU  28   8.088  11.835   4.098
  202   1HD2  LEU  28          HD21      LEU  28   7.528  10.120   6.702
  203   2HD2  LEU  28          HD22      LEU  28   6.478   8.795   6.197
  204   3HD2  LEU  28          HD23      LEU  28   5.778  10.339   6.685
  205    H    PHE  29           HN       PHE  29   3.473  10.630   2.881
  206    HA   PHE  29           HA       PHE  29   4.209   8.281   1.786
  207   1HB   PHE  29          HB2       PHE  29   1.869   9.087   2.408
  208   2HB   PHE  29          HB1       PHE  29   1.767   9.721   0.769
  209    HD1  PHE  29           HD1      PHE  29   0.230   8.384  -0.324
  210    HD2  PHE  29           HD2      PHE  29   3.274   6.569   2.025
  211    HE1  PHE  29           HE1      PHE  29  -0.470   6.173  -1.126
  212    HE2  PHE  29           HE2      PHE  29   2.580   4.356   1.228
  213    HZ   PHE  29           HZ       PHE  29   0.702   4.148  -0.352
  214    H    LYS  30           HN       LYS  30   3.638  11.251  -0.060
  215    HA   LYS  30           HA       LYS  30   4.066  10.052  -2.604
  216   1HB   LYS  30          HB2       LYS  30   3.712  12.152  -3.484
  217   2HB   LYS  30          HB1       LYS  30   2.941  12.324  -1.917
  218   1HG   LYS  30          HG2       LYS  30   4.873  13.462  -1.033
  219   2HG   LYS  30          HG1       LYS  30   5.736  13.223  -2.554
  220   1HD   LYS  30          HD2       LYS  30   3.999  14.559  -3.704
  221   2HD   LYS  30          HD1       LYS  30   3.231  14.855  -2.143
  222   1HE   LYS  30          HE2       LYS  30   4.624  16.742  -2.794
  223   2HE   LYS  30          HE1       LYS  30   5.266  15.958  -1.352
  224   1HZ   LYS  30          HZ1       LYS  30   6.874  16.592  -3.224
  225   2HZ   LYS  30          HZ2       LYS  30   6.269  15.233  -4.030
  226   3HZ   LYS  30          HZ3       LYS  30   7.027  15.057  -2.528
  227    H    MET  31           HN       MET  31   6.092  11.799  -0.341
  228    HA   MET  31           HA       MET  31   8.390  11.879  -2.036
  229   1HB   MET  31          HB2       MET  31   8.007  13.532  -0.257
  230   2HB   MET  31          HB1       MET  31   8.180  12.269   0.954
  231   1HG   MET  31          HG2       MET  31  10.492  11.918   0.274
  232   2HG   MET  31          HG1       MET  31  10.322  13.163  -0.962
  233   1HE   MET  31          HE1       MET  31   9.414  14.093   3.359
  234   2HE   MET  31          HE2       MET  31  10.727  12.919   3.270
  235   3HE   MET  31          HE3       MET  31   9.176  12.566   2.509
  236    H    ILE  32           HN       ILE  32   7.044   9.454  -0.021
  237    HA   ILE  32           HA       ILE  32   9.598   8.073   0.285
  238    HB   ILE  32           HB       ILE  32   8.000   8.090   2.193
  239   1HG1  ILE  32          HG12      ILE  32   8.175   5.665   2.686
  240   2HG1  ILE  32          HG11      ILE  32   8.604   5.374   1.003
  241   1HG2  ILE  32          HG21      ILE  32   6.214   6.065   1.535
  242   2HG2  ILE  32          HG22      ILE  32   6.192   7.154   0.148
  243   3HG2  ILE  32          HG23      ILE  32   5.843   7.775   1.762
  244   1HD1  ILE  32          HD11      ILE  32  10.337   7.370   2.042
  245   2HD1  ILE  32          HD12      ILE  32  10.727   5.747   1.469
  246   3HD1  ILE  32          HD13      ILE  32  10.301   6.007   3.161
  247    H    ASP  33           HN       ASP  33   6.753   8.065  -1.649
  248    HA   ASP  33           HA       ASP  33   7.201   5.430  -2.748
  249   1HB   ASP  33          HB2       ASP  33   4.913   6.261  -2.530
  250   2HB   ASP  33          HB1       ASP  33   5.295   7.640  -3.555
  251    H    THR  34           HN       THR  34   8.512   4.991  -4.392
  252    HA   THR  34           HA       THR  34  10.238   6.840  -5.551
  253    HB   THR  34           HB       THR  34  10.398   4.294  -5.486
  254    HG1  THR  34           HG1      THR  34  11.228   4.534  -7.916
  255   1HG2  THR  34          HG21      THR  34   8.181   3.990  -6.704
  256   2HG2  THR  34          HG22      THR  34   9.541   2.978  -7.192
  257   3HG2  THR  34          HG23      THR  34   9.087   4.376  -8.167
  258    H    ASP  35           HN       ASP  35   7.070   5.792  -6.465
  259    HA   ASP  35           HA       ASP  35   7.129   7.039  -9.057
  260   1HB   ASP  35          HB2       ASP  35   5.769   4.970  -8.397
  261   2HB   ASP  35          HB1       ASP  35   4.655   6.102  -7.638
  262    H    ASN  36           HN       ASN  36   6.435   7.994  -5.866
  263    HA   ASN  36           HA       ASN  36   5.576   9.899  -4.947
  264   1HB   ASN  36          HB2       ASN  36   6.622  11.074  -7.534
  265   2HB   ASN  36          HB1       ASN  36   6.194  12.000  -6.099
  266   1HD2  ASN  36          HD21      ASN  36   7.848  12.569  -4.910
  267   2HD2  ASN  36          HD22      ASN  36   9.335  11.706  -4.741
  268    H    SER  37           HN       SER  37   3.885   8.294  -6.932
  269    HA   SER  37           HA       SER  37   2.106  10.305  -8.028
  270   1HB   SER  37          HB2       SER  37   0.772   8.386  -8.805
  271   2HB   SER  37          HB1       SER  37   2.468   8.197  -9.249
  272    HG   SER  37           HG       SER  37   1.027   6.893  -7.197
  273    H    GLY  38           HN       GLY  38   2.566   8.635  -5.141
  274   1HA   GLY  38          HA2       GLY  38   1.385   9.355  -3.159
  275   2HA   GLY  38          HA1       GLY  38  -0.041   9.619  -4.153
  276    H    THR  39           HN       THR  39   1.717   6.783  -4.809
  277    HA   THR  39           HA       THR  39   0.222   5.100  -2.975
  278    HB   THR  39           HB       THR  39  -0.655   3.671  -4.803
  279    HG1  THR  39           HG1      THR  39   0.476   4.057  -6.575
  280   1HG2  THR  39          HG21      THR  39  -1.695   6.385  -5.441
  281   2HG2  THR  39          HG22      THR  39  -1.954   5.704  -3.835
  282   3HG2  THR  39          HG23      THR  39  -2.558   4.858  -5.259
  283    H    ILE  40           HN       ILE  40   1.433   3.354  -2.392
  284    HA   ILE  40           HA       ILE  40   3.928   2.965  -3.905
  285    HB   ILE  40           HB       ILE  40   3.211   2.358  -1.040
  286   1HG1  ILE  40          HG12      ILE  40   5.486   3.934  -2.247
  287   2HG1  ILE  40          HG11      ILE  40   3.972   4.648  -1.692
  288   1HG2  ILE  40          HG21      ILE  40   5.830   1.664  -1.207
  289   2HG2  ILE  40          HG22      ILE  40   5.217   1.059  -2.746
  290   3HG2  ILE  40          HG23      ILE  40   4.489   0.519  -1.233
  291   1HD1  ILE  40          HD11      ILE  40   4.700   4.712   0.400
  292   2HD1  ILE  40          HD12      ILE  40   6.285   4.238  -0.212
  293   3HD1  ILE  40          HD13      ILE  40   5.156   3.009   0.359
  294    H    THR  41           HN       THR  41   4.578   0.954  -4.602
  295    HA   THR  41           HA       THR  41   2.717  -1.283  -4.209
  296    HB   THR  41           HB       THR  41   2.935  -1.895  -6.582
  297    HG1  THR  41           HG1      THR  41   3.829  -0.253  -7.986
  298   1HG2  THR  41          HG21      THR  41   1.640  -0.104  -7.612
  299   2HG2  THR  41          HG22      THR  41   1.992   0.940  -6.235
  300   3HG2  THR  41          HG23      THR  41   1.025  -0.518  -6.012
  301    H    PHE  42           HN       PHE  42   3.662  -3.336  -4.358
  302    HA   PHE  42           HA       PHE  42   5.912  -3.944  -3.125
  303   1HB   PHE  42          HB2       PHE  42   4.460  -5.689  -3.755
  304   2HB   PHE  42          HB1       PHE  42   4.612  -5.313  -5.466
  305    HD1  PHE  42           HD1      PHE  42   5.627  -6.986  -6.612
  306    HD2  PHE  42           HD2      PHE  42   7.040  -6.018  -2.722
  307    HE1  PHE  42           HE1      PHE  42   7.385  -8.679  -6.837
  308    HE2  PHE  42           HE2      PHE  42   8.803  -7.708  -2.938
  309    HZ   PHE  42           HZ       PHE  42   8.985  -9.049  -4.998
  310    H    ASP  43           HN       ASP  43   5.878  -3.846  -6.705
  311    HA   ASP  43           HA       ASP  43   8.586  -4.156  -7.124
  312   1HB   ASP  43          HB2       ASP  43   6.867  -4.173  -8.911
  313   2HB   ASP  43          HB1       ASP  43   6.715  -2.426  -8.758
  314    H    GLU  44           HN       GLU  44   6.794  -1.234  -6.364
  315    HA   GLU  44           HA       GLU  44   9.151   0.442  -6.575
  316   1HB   GLU  44          HB2       GLU  44   6.415   1.188  -5.539
  317   2HB   GLU  44          HB1       GLU  44   7.671   2.276  -6.115
  318   1HG   GLU  44          HG2       GLU  44   7.436   1.358  -8.363
  319   2HG   GLU  44          HG1       GLU  44   6.174   0.273  -7.787
  320    H    LEU  45           HN       LEU  45   7.579  -1.426  -4.194
  321    HA   LEU  45           HA       LEU  45   8.199   0.075  -1.898
  322   1HB   LEU  45          HB2       LEU  45   6.544  -1.742  -1.900
  323   2HB   LEU  45          HB1       LEU  45   7.834  -2.908  -2.142
  324    HG   LEU  45           HG       LEU  45   8.827  -2.094   0.039
  325   1HD1  LEU  45          HD11      LEU  45   7.360  -0.945   1.589
  326   2HD1  LEU  45          HD12      LEU  45   6.106  -0.839   0.353
  327   3HD1  LEU  45          HD13      LEU  45   7.624   0.035   0.146
  328   1HD2  LEU  45          HD21      LEU  45   7.281  -4.140  -0.405
  329   2HD2  LEU  45          HD22      LEU  45   6.108  -3.213   0.530
  330   3HD2  LEU  45          HD23      LEU  45   7.658  -3.655   1.247
  331    H    LYS  46           HN       LYS  46   9.694  -2.906  -3.112
  332    HA   LYS  46           HA       LYS  46  11.895  -2.968  -1.439
  333   1HB   LYS  46          HB2       LYS  46  12.919  -4.440  -3.128
  334   2HB   LYS  46          HB1       LYS  46  11.240  -4.862  -2.818
  335   1HG   LYS  46          HG2       LYS  46  10.574  -3.676  -4.855
  336   2HG   LYS  46          HG1       LYS  46  12.266  -3.287  -5.168
  337   1HD   LYS  46          HD2       LYS  46  12.792  -5.664  -5.326
  338   2HD   LYS  46          HD1       LYS  46  11.111  -6.068  -4.976
  339   1HE   LYS  46          HE2       LYS  46  11.564  -6.210  -7.367
  340   2HE   LYS  46          HE1       LYS  46  10.407  -4.926  -7.018
  341   1HZ   LYS  46          HZ1       LYS  46  13.139  -4.745  -8.018
  342   2HZ   LYS  46          HZ2       LYS  46  12.644  -3.535  -6.945
  343   3HZ   LYS  46          HZ3       LYS  46  11.787  -3.793  -8.380
  344    H    ASP  47           HN       ASP  47  11.372  -1.191  -4.404
  345    HA   ASP  47           HA       ASP  47  13.871  -0.494  -5.225
  346   1HB   ASP  47          HB2       ASP  47  11.847   0.210  -6.375
  347   2HB   ASP  47          HB1       ASP  47  11.448   1.307  -5.059
  348    H    GLY  48           HN       GLY  48  12.530   0.257  -2.175
  349   1HA   GLY  48          HA2       GLY  48  13.925   2.688  -1.670
  350   2HA   GLY  48          HA1       GLY  48  13.243   1.617  -0.454
  351    H    LEU  49           HN       LEU  49  14.530  -0.549  -0.312
  352    HA   LEU  49           HA       LEU  49  17.299   0.209   0.184
  353   1HB   LEU  49          HB2       LEU  49  15.652  -2.177   1.001
  354   2HB   LEU  49          HB1       LEU  49  17.375  -2.076   1.295
  355    HG   LEU  49           HG       LEU  49  16.152  -1.492   3.299
  356   1HD1  LEU  49          HD11      LEU  49  17.135   0.692   3.761
  357   2HD1  LEU  49          HD12      LEU  49  17.422   0.931   2.038
  358   3HD1  LEU  49          HD13      LEU  49  18.264  -0.355   2.902
  359   1HD2  LEU  49          HD21      LEU  49  14.160  -0.606   1.888
  360   2HD2  LEU  49          HD22      LEU  49  15.012   0.935   1.983
  361   3HD2  LEU  49          HD23      LEU  49  14.505   0.115   3.460
  362    H    LYS  50           HN       LYS  50  15.481  -1.366  -2.180
  363    HA   LYS  50           HA       LYS  50  17.579  -3.155  -3.011
  364   1HB   LYS  50          HB2       LYS  50  14.782  -2.668  -3.908
  365   2HB   LYS  50          HB1       LYS  50  15.896  -3.487  -4.994
  366   1HG   LYS  50          HG2       LYS  50  14.549  -5.049  -3.662
  367   2HG   LYS  50          HG1       LYS  50  16.278  -5.225  -3.366
  368   1HD   LYS  50          HD2       LYS  50  15.973  -3.749  -1.350
  369   2HD   LYS  50          HD1       LYS  50  14.232  -3.881  -1.609
  370   1HE   LYS  50          HE2       LYS  50  14.335  -6.279  -1.336
  371   2HE   LYS  50          HE1       LYS  50  16.092  -6.220  -1.208
  372   1HZ   LYS  50          HZ1       LYS  50  14.612  -6.321   0.915
  373   2HZ   LYS  50          HZ2       LYS  50  14.484  -4.651   0.679
  374   3HZ   LYS  50          HZ3       LYS  50  16.004  -5.360   0.893
  375    H    ARG  51           HN       ARG  51  16.775   0.080  -3.638
  376    HA   ARG  51           HA       ARG  51  17.674   0.217  -6.339
  377   1HB   ARG  51          HB2       ARG  51  16.205   1.930  -5.303
  378   2HB   ARG  51          HB1       ARG  51  17.543   2.427  -4.278
  379   1HG   ARG  51          HG2       ARG  51  17.285   3.941  -6.152
  380   2HG   ARG  51          HG1       ARG  51  18.821   3.079  -6.259
  381   1HD   ARG  51          HD2       ARG  51  17.831   1.525  -7.873
  382   2HD   ARG  51          HD1       ARG  51  16.298   2.388  -7.764
  383    HE   ARG  51           HE       ARG  51  18.274   4.226  -8.475
  384   1HH1  ARG  51          HH11      ARG  51  16.689   1.418  -9.799
  385   2HH1  ARG  51          HH12      ARG  51  16.880   1.928 -11.444
  386   1HH2  ARG  51          HH21      ARG  51  18.526   4.904 -10.637
  387   2HH2  ARG  51          HH22      ARG  51  17.921   3.909 -11.919
  388    H    VAL  52           HN       VAL  52  19.254  -0.259  -3.423
  389    HA   VAL  52           HA       VAL  52  21.724   1.052  -4.166
  390    HB   VAL  52           HB       VAL  52  20.947   0.884  -1.790
  391   1HG1  VAL  52          HG11      VAL  52  22.045  -1.768  -1.368
  392   2HG1  VAL  52          HG12      VAL  52  20.594  -1.788  -2.370
  393   3HG1  VAL  52          HG13      VAL  52  20.550  -1.053  -0.768
  394   1HG2  VAL  52          HG21      VAL  52  23.064   1.098  -1.105
  395   2HG2  VAL  52          HG22      VAL  52  23.454   0.902  -2.813
  396   3HG2  VAL  52          HG23      VAL  52  23.533  -0.484  -1.726
  397    H    GLY  53           HN       GLY  53  20.298  -2.121  -4.324
  398   1HA   GLY  53          HA2       GLY  53  20.997  -4.056  -5.335
  399   2HA   GLY  53          HA1       GLY  53  22.157  -3.067  -6.206
  400    H    SER  54           HN       SER  54  21.833  -3.885  -2.738
  401    HA   SER  54           HA       SER  54  24.679  -4.355  -2.592
  402   1HB   SER  54          HB2       SER  54  22.502  -4.628  -0.504
  403   2HB   SER  54          HB1       SER  54  24.228  -4.805  -0.185
  404    HG   SER  54           HG       SER  54  24.230  -2.574  -1.293
  405    H    GLU  55           HN       GLU  55  22.907  -6.467  -0.592
  406    HA   GLU  55           HA       GLU  55  23.157  -8.726  -2.422
  407   1HB   GLU  55          HB2       GLU  55  25.302  -8.512  -1.115
  408   2HB   GLU  55          HB1       GLU  55  24.368  -8.781   0.349
  409   1HG   GLU  55          HG2       GLU  55  23.713 -10.983  -0.458
  410   2HG   GLU  55          HG1       GLU  55  24.619 -10.714  -1.946
  411    H    LEU  56           HN       LEU  56  20.974  -7.212  -1.283
  412    HA   LEU  56           HA       LEU  56  19.786  -8.842   0.773
  413   1HB   LEU  56          HB2       LEU  56  17.740  -7.335   0.147
  414   2HB   LEU  56          HB1       LEU  56  19.091  -6.686   1.067
  415    HG   LEU  56           HG       LEU  56  20.008  -5.761  -1.079
  416   1HD1  LEU  56          HD11      LEU  56  18.770  -7.328  -2.565
  417   2HD1  LEU  56          HD12      LEU  56  18.621  -5.631  -3.021
  418   3HD1  LEU  56          HD13      LEU  56  17.293  -6.441  -2.189
  419   1HD2  LEU  56          HD21      LEU  56  17.399  -4.916   0.097
  420   2HD2  LEU  56          HD22      LEU  56  18.078  -4.037  -1.273
  421   3HD2  LEU  56          HD23      LEU  56  18.989  -4.165   0.232
  422    H    MET  57           HN       MET  57  17.505  -9.576   0.497
  423    HA   MET  57           HA       MET  57  17.134 -10.802  -2.149
  424   1HB   MET  57          HB2       MET  57  16.079 -12.729  -0.912
  425   2HB   MET  57          HB1       MET  57  17.817 -12.565  -0.703
  426   1HG   MET  57          HG2       MET  57  17.455 -11.500   1.465
  427   2HG   MET  57          HG1       MET  57  15.713 -11.669   1.254
  428   1HE   MET  57          HE1       MET  57  16.479 -14.290   4.055
  429   2HE   MET  57          HE2       MET  57  15.615 -12.815   3.621
  430   3HE   MET  57          HE3       MET  57  17.365 -12.782   3.833
  431    H    GLU  58           HN       GLU  58  15.359 -10.145  -3.100
  432    HA   GLU  58           HA       GLU  58  13.420  -8.505  -1.942
  433   1HB   GLU  58          HB2       GLU  58  13.410 -10.164  -4.457
  434   2HB   GLU  58          HB1       GLU  58  12.045  -9.156  -4.003
  435   1HG   GLU  58          HG2       GLU  58  13.440  -8.009  -5.598
  436   2HG   GLU  58          HG1       GLU  58  13.493  -7.183  -4.044
  437    H    SER  59           HN       SER  59  13.912 -11.765  -1.508
  438    HA   SER  59           HA       SER  59  11.293 -12.796  -1.382
  439   1HB   SER  59          HB2       SER  59  12.269 -14.607  -0.036
  440   2HB   SER  59          HB1       SER  59  13.293 -14.237  -1.423
  441    HG   SER  59           HG       SER  59  14.565 -12.940   0.025
  442    H    GLU  60           HN       GLU  60  13.009 -10.648   0.607
  443    HA   GLU  60           HA       GLU  60  11.424 -11.127   2.983
  444   1HB   GLU  60          HB2       GLU  60  13.483  -9.009   2.329
  445   2HB   GLU  60          HB1       GLU  60  12.716  -9.213   3.893
  446   1HG   GLU  60          HG2       GLU  60  14.429 -11.275   2.534
  447   2HG   GLU  60          HG1       GLU  60  14.974 -10.174   3.797
  448    H    ILE  61           HN       ILE  61  11.810  -8.714   0.442
  449    HA   ILE  61           HA       ILE  61  10.058  -6.754   1.312
  450    HB   ILE  61           HB       ILE  61  10.505  -7.659  -1.536
  451   1HG1  ILE  61          HG12      ILE  61  12.578  -7.094  -0.302
  452   2HG1  ILE  61          HG11      ILE  61  12.246  -5.964  -1.609
  453   1HG2  ILE  61          HG21      ILE  61   8.520  -6.206  -1.221
  454   2HG2  ILE  61          HG22      ILE  61   9.782  -5.458  -2.201
  455   3HG2  ILE  61          HG23      ILE  61   9.572  -4.978  -0.517
  456   1HD1  ILE  61          HD11      ILE  61  11.558  -4.281  -0.100
  457   2HD1  ILE  61          HD12      ILE  61  13.047  -4.961   0.556
  458   3HD1  ILE  61          HD13      ILE  61  11.490  -5.418   1.247
  459    H    LYS  62           HN       LYS  62   9.343  -9.948   0.301
  460    HA   LYS  62           HA       LYS  62   6.650  -9.511  -0.570
  461   1HB   LYS  62          HB2       LYS  62   7.716 -12.095   0.546
  462   2HB   LYS  62          HB1       LYS  62   6.480 -11.861  -0.686
  463   1HG   LYS  62          HG2       LYS  62   9.378 -11.169  -1.011
  464   2HG   LYS  62          HG1       LYS  62   8.629 -12.664  -1.586
  465   1HD   LYS  62          HD2       LYS  62   7.821  -9.879  -2.424
  466   2HD   LYS  62          HD1       LYS  62   8.855 -10.952  -3.363
  467   1HE   LYS  62          HE2       LYS  62   6.002 -11.513  -2.558
  468   2HE   LYS  62          HE1       LYS  62   6.534 -10.991  -4.156
  469   1HZ   LYS  62          HZ1       LYS  62   7.911 -13.324  -3.186
  470   2HZ   LYS  62          HZ2       LYS  62   7.176 -13.047  -4.684
  471   3HZ   LYS  62          HZ3       LYS  62   6.245 -13.559  -3.369
  472    H    ASP  63           HN       ASP  63   7.919 -11.205   2.294
  473    HA   ASP  63           HA       ASP  63   5.522 -11.139   3.749
  474   1HB   ASP  63          HB2       ASP  63   8.370 -11.208   4.787
  475   2HB   ASP  63          HB1       ASP  63   6.934 -11.590   5.731
  476    H    LEU  64           HN       LEU  64   7.763  -8.753   2.905
  477    HA   LEU  64           HA       LEU  64   7.143  -6.961   5.107
  478   1HB   LEU  64          HB2       LEU  64   8.859  -6.719   2.646
  479   2HB   LEU  64          HB1       LEU  64   8.545  -5.348   3.696
  480    HG   LEU  64           HG       LEU  64   9.902  -7.920   4.517
  481   1HD1  LEU  64          HD11      LEU  64  11.898  -6.939   4.172
  482   2HD1  LEU  64          HD12      LEU  64  11.314  -5.342   4.639
  483   3HD1  LEU  64          HD13      LEU  64  10.991  -5.960   3.020
  484   1HD2  LEU  64          HD21      LEU  64   8.825  -7.132   6.442
  485   2HD2  LEU  64          HD22      LEU  64   9.134  -5.445   6.033
  486   3HD2  LEU  64          HD23      LEU  64  10.460  -6.482   6.558
  487    H    MET  65           HN       MET  65   6.319  -7.321   1.693
  488    HA   MET  65           HA       MET  65   4.727  -4.892   1.712
  489   1HB   MET  65          HB2       MET  65   6.024  -5.444  -0.290
  490   2HB   MET  65          HB1       MET  65   5.147  -6.958  -0.455
  491   1HG   MET  65          HG2       MET  65   4.325  -5.278  -2.005
  492   2HG   MET  65          HG1       MET  65   3.082  -5.742  -0.845
  493   1HE   MET  65          HE1       MET  65   2.872  -3.180  -2.672
  494   2HE   MET  65          HE2       MET  65   2.331  -1.944  -1.535
  495   3HE   MET  65          HE3       MET  65   1.636  -3.564  -1.474
  496    H    ASP  66           HN       ASP  66   4.106  -8.322   0.955
  497    HA   ASP  66           HA       ASP  66   1.388  -8.286   0.725
  498   1HB   ASP  66          HB2       ASP  66   2.731 -10.286   0.332
  499   2HB   ASP  66          HB1       ASP  66   3.054 -10.428   2.057
  500    H    ALA  67           HN       ALA  67   3.217  -8.500   3.763
  501    HA   ALA  67           HA       ALA  67   0.836  -8.649   5.368
  502   1HB   ALA  67          HB1       ALA  67   2.207  -9.071   7.122
  503   2HB   ALA  67          HB2       ALA  67   3.403  -7.877   6.618
  504   3HB   ALA  67          HB3       ALA  67   3.340  -9.450   5.824
  505    H    ALA  68           HN       ALA  68   2.744  -6.124   4.028
  506    HA   ALA  68           HA       ALA  68   2.125  -4.095   5.926
  507   1HB   ALA  68          HB1       ALA  68   2.855  -3.628   3.049
  508   2HB   ALA  68          HB2       ALA  68   4.038  -4.091   4.271
  509   3HB   ALA  68          HB3       ALA  68   3.146  -2.580   4.437
  510    H    ASP  69           HN       ASP  69   0.570  -5.251   2.990
  511    HA   ASP  69           HA       ASP  69  -1.566  -3.269   3.422
  512   1HB   ASP  69          HB2       ASP  69  -0.466  -2.943   1.281
  513   2HB   ASP  69          HB1       ASP  69  -0.724  -4.635   0.859
  514    H    ILE  70           HN       ILE  70  -3.508  -3.969   3.949
  515    HA   ILE  70           HA       ILE  70  -3.978  -6.800   4.252
  516    HB   ILE  70           HB       ILE  70  -4.618  -5.216   6.013
  517   1HG1  ILE  70          HG12      ILE  70  -5.910  -7.414   5.506
  518   2HG1  ILE  70          HG11      ILE  70  -6.606  -6.264   6.638
  519   1HG2  ILE  70          HG21      ILE  70  -6.760  -3.870   5.563
  520   2HG2  ILE  70          HG22      ILE  70  -6.354  -4.078   3.859
  521   3HG2  ILE  70          HG23      ILE  70  -5.229  -3.256   4.940
  522   1HD1  ILE  70          HD11      ILE  70  -8.441  -6.084   5.412
  523   2HD1  ILE  70          HD12      ILE  70  -7.826  -7.400   4.411
  524   3HD1  ILE  70          HD13      ILE  70  -7.509  -5.725   3.958
  525    H    ASP  71           HN       ASP  71  -4.949  -4.272   2.048
  526    HA   ASP  71           HA       ASP  71  -7.249  -5.596   1.015
  527   1HB   ASP  71          HB2       ASP  71  -5.530  -3.421  -0.187
  528   2HB   ASP  71          HB1       ASP  71  -7.073  -3.958  -0.845
  529    H    LYS  72           HN       LYS  72  -4.138  -6.551   0.866
  530    HA   LYS  72           HA       LYS  72  -2.797  -7.637  -0.657
  531   1HB   LYS  72          HB2       LYS  72  -3.779  -9.797  -1.304
  532   2HB   LYS  72          HB1       LYS  72  -4.074  -9.412   0.383
  533   1HG   LYS  72          HG2       LYS  72  -6.140  -8.767  -1.673
  534   2HG   LYS  72          HG1       LYS  72  -5.963 -10.412  -1.073
  535   1HD   LYS  72          HD2       LYS  72  -6.323  -9.655   1.203
  536   2HD   LYS  72          HD1       LYS  72  -6.419  -7.983   0.652
  537   1HE   LYS  72          HE2       LYS  72  -8.393  -8.567  -0.698
  538   2HE   LYS  72          HE1       LYS  72  -8.307 -10.217  -0.083
  539   1HZ   LYS  72          HZ1       LYS  72  -8.331  -8.821   2.189
  540   2HZ   LYS  72          HZ2       LYS  72  -9.726  -9.418   1.443
  541   3HZ   LYS  72          HZ3       LYS  72  -9.267  -7.807   1.209
  542    H    SER  73           HN       SER  73  -3.944  -5.388  -1.874
  543    HA   SER  73           HA       SER  73  -4.804  -6.240  -4.522
  544   1HB   SER  73          HB2       SER  73  -5.066  -3.780  -4.919
  545   2HB   SER  73          HB1       SER  73  -6.015  -4.380  -3.560
  546    HG   SER  73           HG       SER  73  -4.680  -3.392  -2.166
  547    H    GLY  74           HN       GLY  74  -1.945  -5.883  -2.969
  548   1HA   GLY  74          HA2       GLY  74   0.189  -6.071  -3.905
  549   2HA   GLY  74          HA1       GLY  74  -0.492  -5.679  -5.478
  550    H    THR  75           HN       THR  75  -1.825  -3.399  -3.750
  551    HA   THR  75           HA       THR  75   0.485  -1.570  -3.872
  552    HB   THR  75           HB       THR  75  -2.387  -0.995  -4.639
  553    HG1  THR  75           HG1      THR  75  -0.630  -0.442  -6.546
  554   1HG2  THR  75          HG21      THR  75  -0.457   0.987  -5.442
  555   2HG2  THR  75          HG22      THR  75  -0.533   0.829  -3.688
  556   3HG2  THR  75          HG23      THR  75  -1.997   1.181  -4.605
  557    H    ILE  76           HN       ILE  76   0.891  -0.526  -2.017
  558    HA   ILE  76           HA       ILE  76  -1.074  -0.760   0.132
  559    HB   ILE  76           HB       ILE  76   1.140  -1.550   0.696
  560   1HG1  ILE  76          HG12      ILE  76   0.536   1.098   2.036
  561   2HG1  ILE  76          HG11      ILE  76  -0.191  -0.448   2.455
  562   1HG2  ILE  76          HG21      ILE  76   1.953   0.870  -0.683
  563   2HG2  ILE  76          HG22      ILE  76   2.870  -0.597  -0.338
  564   3HG2  ILE  76          HG23      ILE  76   2.762   0.681   0.873
  565   1HD1  ILE  76          HD11      ILE  76   2.543   0.575   2.995
  566   2HD1  ILE  76          HD12      ILE  76   2.302  -1.163   2.817
  567   3HD1  ILE  76          HD13      ILE  76   1.419  -0.273   4.058
  568    H    ASP  77           HN       ASP  77  -1.991   0.909   1.139
  569    HA   ASP  77           HA       ASP  77  -1.335   3.617   0.184
  570   1HB   ASP  77          HB2       ASP  77  -4.049   2.530   0.973
  571   2HB   ASP  77          HB1       ASP  77  -3.714   4.194   0.504
  572    H    TYR  78           HN       TYR  78  -2.415   5.254   1.833
  573    HA   TYR  78           HA       TYR  78  -0.955   5.132   4.197
  574   1HB   TYR  78          HB2       TYR  78  -1.918   7.199   3.184
  575   2HB   TYR  78          HB1       TYR  78  -3.507   6.690   3.743
  576    HD1  TYR  78           HD1      TYR  78  -4.217   7.966   5.525
  577    HD2  TYR  78           HD2      TYR  78  -0.118   6.852   5.316
  578    HE1  TYR  78           HE1      TYR  78  -3.807   9.097   7.669
  579    HE2  TYR  78           HE2      TYR  78   0.307   7.979   7.457
  580    HH   TYR  78           HH       TYR  78  -1.705   8.643   9.618
  581    H    GLY  79           HN       GLY  79  -4.187   3.998   3.464
  582   1HA   GLY  79          HA2       GLY  79  -5.134   3.638   6.083
  583   2HA   GLY  79          HA1       GLY  79  -5.699   2.767   4.668
  584    H    GLU  80           HN       GLU  80  -3.298   1.419   3.994
  585    HA   GLU  80           HA       GLU  80  -3.384  -0.656   6.013
  586   1HB   GLU  80          HB2       GLU  80  -1.948  -0.524   3.356
  587   2HB   GLU  80          HB1       GLU  80  -1.950  -1.926   4.416
  588   1HG   GLU  80          HG2       GLU  80  -3.562  -2.359   2.770
  589   2HG   GLU  80          HG1       GLU  80  -4.463  -1.921   4.220
  590    H    PHE  81           HN       PHE  81  -1.108   1.691   4.763
  591    HA   PHE  81           HA       PHE  81   1.273   0.803   5.829
  592   1HB   PHE  81          HB2       PHE  81   1.062   2.753   4.339
  593   2HB   PHE  81          HB1       PHE  81   0.311   3.666   5.643
  594    HD1  PHE  81           HD1      PHE  81   1.677   5.227   6.582
  595    HD2  PHE  81           HD2      PHE  81   3.373   1.559   5.254
  596    HE1  PHE  81           HE1      PHE  81   3.895   5.989   7.328
  597    HE2  PHE  81           HE2      PHE  81   5.595   2.311   6.000
  598    HZ   PHE  81           HZ       PHE  81   5.858   4.529   7.039
  599    H    ILE  82           HN       ILE  82  -1.234   2.757   7.413
  600    HA   ILE  82           HA       ILE  82   0.217   2.887   9.897
  601    HB   ILE  82           HB       ILE  82  -1.250   4.727   9.250
  602   1HG1  ILE  82          HG12      ILE  82  -2.529   4.941  11.367
  603   2HG1  ILE  82          HG11      ILE  82  -2.224   3.240  11.700
  604   1HG2  ILE  82          HG21      ILE  82  -3.823   3.973   9.740
  605   2HG2  ILE  82          HG22      ILE  82  -3.178   2.552   8.917
  606   3HG2  ILE  82          HG23      ILE  82  -3.101   4.133   8.138
  607   1HD1  ILE  82          HD11      ILE  82  -0.157   3.638  12.443
  608   2HD1  ILE  82          HD12      ILE  82  -0.712   5.306  12.597
  609   3HD1  ILE  82          HD13      ILE  82   0.186   4.804  11.165
  610    H    ALA  83           HN       ALA  83  -2.428   0.982   8.573
  611    HA   ALA  83           HA       ALA  83  -3.286  -0.216  10.973
  612   1HB   ALA  83          HB1       ALA  83  -3.430  -1.572   8.301
  613   2HB   ALA  83          HB2       ALA  83  -4.442  -0.181   8.691
  614   3HB   ALA  83          HB3       ALA  83  -4.564  -1.657   9.649
  615    H    ALA  84           HN       ALA  84  -0.456  -0.674   9.126
  616    HA   ALA  84           HA       ALA  84   0.115  -3.373   9.536
  617   1HB   ALA  84          HB1       ALA  84   2.064  -2.886   8.552
  618   2HB   ALA  84          HB2       ALA  84   2.450  -1.631   9.731
  619   3HB   ALA  84          HB3       ALA  84   1.405  -1.261   8.359
  620    H    THR  85           HN       THR  85   1.037  -4.530  11.172
  621    HA   THR  85           HA       THR  85   0.980  -3.298  13.805
  622    HB   THR  85           HB       THR  85   1.268  -5.606  14.638
  623    HG1  THR  85           HG1      THR  85   2.327  -6.084  12.360
  624   1HG2  THR  85          HG21      THR  85  -0.781  -6.242  12.714
  625   2HG2  THR  85          HG22      THR  85  -0.982  -4.617  13.368
  626   3HG2  THR  85          HG23      THR  85  -0.901  -6.002  14.457
  627    H    VAL  86           HN       VAL  86   2.714  -3.413  15.298
  628    HA   VAL  86           HA       VAL  86   5.344  -4.158  14.312
  629    HB   VAL  86           HB       VAL  86   5.086  -1.820  13.568
  630   1HG1  VAL  86          HG11      VAL  86   4.624  -1.312  16.496
  631   2HG1  VAL  86          HG12      VAL  86   3.570  -0.910  15.140
  632   3HG1  VAL  86          HG13      VAL  86   5.092  -0.046  15.360
  633   1HG2  VAL  86          HG21      VAL  86   7.054  -1.123  15.443
  634   2HG2  VAL  86          HG22      VAL  86   7.292  -1.800  13.832
  635   3HG2  VAL  86          HG23      VAL  86   7.178  -2.869  15.229
  636    H    HIS  87           HN       HIS  87   3.116  -3.522  16.816
  637    HA   HIS  87           HA       HIS  87   4.770  -3.284  19.052
  638   1HB   HIS  87          HB2       HIS  87   2.837  -4.110  20.347
  639   2HB   HIS  87          HB1       HIS  87   2.368  -2.887  19.170
  640    HD1  HIS  87           HD1      HIS  87   2.579  -6.698  19.181
  641    HD2  HIS  87           HD2      HIS  87   0.110  -3.613  17.892
  642    HE1  HIS  87           HE1      HIS  87   0.602  -7.822  18.107
  643    HE2  HIS  87           HE2      HIS  87  -0.901  -5.937  17.374
  Start of MODEL    7
    1   1H    HIS   1           HT1      HIS   1 -18.844  -1.939 -11.056
    2   2H    HIS   1           HT2      HIS   1 -19.906  -0.700 -11.499
    3   3H    HIS   1           HT3      HIS   1 -19.716  -2.050 -12.502
    4    HA   HIS   1           HA       HIS   1 -21.766  -1.851 -10.934
    5   1HB   HIS   1          HB2       HIS   1 -21.177  -3.717 -12.468
    6   2HB   HIS   1          HB1       HIS   1 -20.141  -4.393 -11.216
    7    HD1  HIS   1           HD1      HIS   1 -23.792  -3.292 -11.376
    8    HD2  HIS   1           HD2      HIS   1 -21.422  -6.381  -9.926
    9    HE1  HIS   1           HE1      HIS   1 -25.385  -4.911 -10.297
   10    HE2  HIS   1           HE2      HIS   1 -23.938  -6.820  -9.517
   11    H    SER   2           HN       SER   2 -18.671  -1.938  -9.609
   12    HA   SER   2           HA       SER   2 -19.775  -2.506  -6.937
   13   1HB   SER   2          HB2       SER   2 -17.545  -3.388  -6.303
   14   2HB   SER   2          HB1       SER   2 -18.292  -4.327  -7.595
   15    HG   SER   2           HG       SER   2 -16.111  -3.883  -8.060
   16    H    SER   3           HN       SER   3 -20.164  -0.329  -6.508
   17    HA   SER   3           HA       SER   3 -17.798   1.416  -6.408
   18   1HB   SER   3          HB2       SER   3 -19.642   2.296  -7.764
   19   2HB   SER   3          HB1       SER   3 -20.736   2.149  -6.389
   20    HG   SER   3           HG       SER   3 -18.492   3.859  -6.648
   21    H    GLY   4           HN       GLY   4 -19.302  -0.639  -4.464
   22   1HA   GLY   4          HA2       GLY   4 -18.824  -0.822  -2.152
   23   2HA   GLY   4          HA1       GLY   4 -18.625   0.923  -2.081
   24    H    HIS   5           HN       HIS   5 -20.703  -1.677  -1.510
   25    HA   HIS   5           HA       HIS   5 -22.655  -0.036  -0.271
   26   1HB   HIS   5          HB2       HIS   5 -24.579  -0.749  -1.732
   27   2HB   HIS   5          HB1       HIS   5 -23.484   0.423  -2.464
   28    HD1  HIS   5           HD1      HIS   5 -21.439  -0.996  -3.884
   29    HD2  HIS   5           HD2      HIS   5 -25.229  -2.659  -3.512
   30    HE1  HIS   5           HE1      HIS   5 -21.616  -2.687  -5.737
   31    HE2  HIS   5           HE2      HIS   5 -23.942  -3.634  -5.534
   32    H    ILE   6           HN       ILE   6 -24.219  -1.216   0.873
   33    HA   ILE   6           HA       ILE   6 -23.504  -4.022   1.274
   34    HB   ILE   6           HB       ILE   6 -23.884  -1.910   3.051
   35   1HG1  ILE   6          HG12      ILE   6 -22.450  -3.840   3.402
   36   2HG1  ILE   6          HG11      ILE   6 -23.508  -3.599   4.786
   37   1HG2  ILE   6          HG21      ILE   6 -26.363  -2.328   2.716
   38   2HG2  ILE   6          HG22      ILE   6 -25.767  -2.298   4.375
   39   3HG2  ILE   6          HG23      ILE   6 -26.112  -3.839   3.590
   40   1HD1  ILE   6          HD11      ILE   6 -24.331  -5.504   2.655
   41   2HD1  ILE   6          HD12      ILE   6 -24.691  -5.514   4.381
   42   3HD1  ILE   6          HD13      ILE   6 -23.089  -5.982   3.812
   43    H    ASP   7           HN       ASP   7 -25.689  -5.119   2.295
   44    HA   ASP   7           HA       ASP   7 -27.271  -6.025   0.352
   45   1HB   ASP   7          HB2       ASP   7 -27.466  -6.815   2.635
   46   2HB   ASP   7          HB1       ASP   7 -28.159  -5.275   3.138
   47    H    ASP   8           HN       ASP   8 -27.870  -3.010   2.119
   48    HA   ASP   8           HA       ASP   8 -30.079  -2.353   0.337
   49   1HB   ASP   8          HB2       ASP   8 -30.352  -1.932   2.748
   50   2HB   ASP   8          HB1       ASP   8 -28.964  -0.848   2.718
   51    H    ASP   9           HN       ASP   9 -28.267   0.317   1.519
   52    HA   ASP   9           HA       ASP   9 -26.381   0.623  -0.540
   53   1HB   ASP   9          HB2       ASP   9 -28.335   0.832  -2.000
   54   2HB   ASP   9          HB1       ASP   9 -28.976   2.117  -0.980
   55    H    ASP  10           HN       ASP  10 -28.466   2.041   1.857
   56    HA   ASP  10           HA       ASP  10 -26.700   4.350   2.158
   57   1HB   ASP  10          HB2       ASP  10 -29.371   3.734   3.429
   58   2HB   ASP  10          HB1       ASP  10 -28.453   5.217   3.673
   59    H    LYS  11           HN       LYS  11 -27.138   1.277   3.537
   60    HA   LYS  11           HA       LYS  11 -26.428   1.972   6.224
   61   1HB   LYS  11          HB2       LYS  11 -26.270  -0.728   4.881
   62   2HB   LYS  11          HB1       LYS  11 -26.283  -0.419   6.613
   63   1HG   LYS  11          HG2       LYS  11 -28.582   0.718   6.073
   64   2HG   LYS  11          HG1       LYS  11 -28.505  -0.304   4.638
   65   1HD   LYS  11          HD2       LYS  11 -28.329  -1.262   7.495
   66   2HD   LYS  11          HD1       LYS  11 -29.747  -1.381   6.455
   67   1HE   LYS  11          HE2       LYS  11 -28.769  -3.500   6.342
   68   2HE   LYS  11          HE1       LYS  11 -28.243  -2.700   4.862
   69   1HZ   LYS  11          HZ1       LYS  11 -26.106  -2.372   5.726
   70   2HZ   LYS  11          HZ2       LYS  11 -26.498  -3.957   6.164
   71   3HZ   LYS  11          HZ3       LYS  11 -26.582  -2.717   7.312
   72    H    HIS  12           HN       HIS  12 -24.754   1.282   3.298
   73    HA   HIS  12           HA       HIS  12 -22.212   0.832   4.655
   74   1HB   HIS  12          HB2       HIS  12 -22.740  -0.511   2.666
   75   2HB   HIS  12          HB1       HIS  12 -22.852   0.957   1.701
   76    HD1  HIS  12           HD1      HIS  12 -20.201  -0.578   3.977
   77    HD2  HIS  12           HD2      HIS  12 -20.576   1.355   0.318
   78    HE1  HIS  12           HE1      HIS  12 -17.871  -0.455   3.041
   79    HE2  HIS  12           HE2      HIS  12 -18.109   0.816   0.879
   80    H    MET  13           HN       MET  13 -23.976   3.395   3.173
   81    HA   MET  13           HA       MET  13 -21.914   5.093   2.364
   82   1HB   MET  13          HB2       MET  13 -24.634   5.797   3.478
   83   2HB   MET  13          HB1       MET  13 -23.565   6.924   2.653
   84   1HG   MET  13          HG2       MET  13 -24.770   4.438   1.459
   85   2HG   MET  13          HG1       MET  13 -25.307   6.093   1.173
   86   1HE   MET  13          HE1       MET  13 -24.964   5.722  -1.632
   87   2HE   MET  13          HE2       MET  13 -24.748   4.081  -1.024
   88   3HE   MET  13          HE3       MET  13 -23.585   4.759  -2.162
   89    H    ALA  14           HN       ALA  14 -23.059   4.289   5.530
   90    HA   ALA  14           HA       ALA  14 -22.120   6.532   6.951
   91   1HB   ALA  14          HB1       ALA  14 -22.563   5.335   8.880
   92   2HB   ALA  14          HB2       ALA  14 -22.112   3.793   8.152
   93   3HB   ALA  14          HB3       ALA  14 -23.637   4.563   7.713
   94    H    GLU  15           HN       GLU  15 -20.528   3.748   5.634
   95    HA   GLU  15           HA       GLU  15 -17.955   4.803   6.576
   96   1HB   GLU  15          HB2       GLU  15 -18.766   1.889   6.575
   97   2HB   GLU  15          HB1       GLU  15 -17.151   2.489   6.925
   98   1HG   GLU  15          HG2       GLU  15 -19.623   3.128   8.518
   99   2HG   GLU  15          HG1       GLU  15 -18.412   1.921   8.950
  100    H    ARG  16           HN       ARG  16 -19.264   5.168   4.060
  101    HA   ARG  16           HA       ARG  16 -18.252   3.374   2.105
  102   1HB   ARG  16          HB2       ARG  16 -18.946   5.093   0.481
  103   2HB   ARG  16          HB1       ARG  16 -20.208   4.739   1.651
  104   1HG   ARG  16          HG2       ARG  16 -19.594   6.762   2.902
  105   2HG   ARG  16          HG1       ARG  16 -18.370   7.124   1.683
  106   1HD   ARG  16          HD2       ARG  16 -21.333   6.874   1.171
  107   2HD   ARG  16          HD1       ARG  16 -20.449   8.391   1.327
  108    HE   ARG  16           HE       ARG  16 -20.650   6.793  -0.993
  109   1HH1  ARG  16          HH11      ARG  16 -18.379   8.761   0.778
  110   2HH1  ARG  16          HH12      ARG  16 -17.419   9.130  -0.615
  111   1HH2  ARG  16          HH21      ARG  16 -19.392   7.277  -2.829
  112   2HH2  ARG  16          HH22      ARG  16 -17.994   8.287  -2.664
  113    H    LEU  17           HN       LEU  17 -16.778   5.841   3.911
  114    HA   LEU  17           HA       LEU  17 -14.922   6.895   2.099
  115   1HB   LEU  17          HB2       LEU  17 -15.481   7.458   4.622
  116   2HB   LEU  17          HB1       LEU  17 -14.143   6.372   4.938
  117    HG   LEU  17           HG       LEU  17 -13.381   8.673   4.954
  118   1HD1  LEU  17          HD11      LEU  17 -12.223   7.878   2.380
  119   2HD1  LEU  17          HD12      LEU  17 -12.161   6.645   3.640
  120   3HD1  LEU  17          HD13      LEU  17 -11.443   8.231   3.922
  121   1HD2  LEU  17          HD21      LEU  17 -15.216   9.416   3.347
  122   2HD2  LEU  17          HD22      LEU  17 -14.123   8.914   2.058
  123   3HD2  LEU  17          HD23      LEU  17 -13.636  10.180   3.184
  124    H    SER  18           HN       SER  18 -13.101   6.099   1.192
  125    HA   SER  18           HA       SER  18 -12.159   3.468   2.129
  126   1HB   SER  18          HB2       SER  18 -12.192   4.537  -0.702
  127   2HB   SER  18          HB1       SER  18 -11.519   2.984  -0.208
  128    HG   SER  18           HG       SER  18 -13.459   2.184  -0.173
  129    H    GLU  19           HN       GLU  19 -10.549   4.282   3.464
  130    HA   GLU  19           HA       GLU  19  -8.539   6.079   2.394
  131   1HB   GLU  19          HB2       GLU  19  -8.742   4.673   5.064
  132   2HB   GLU  19          HB1       GLU  19  -7.505   5.848   4.641
  133   1HG   GLU  19          HG2       GLU  19  -9.217   7.559   4.362
  134   2HG   GLU  19          HG1       GLU  19 -10.464   6.382   4.766
  135    H    GLU  20           HN       GLU  20  -9.122   2.802   2.308
  136    HA   GLU  20           HA       GLU  20  -6.512   1.749   2.643
  137   1HB   GLU  20          HB2       GLU  20  -8.872   0.626   1.127
  138   2HB   GLU  20          HB1       GLU  20  -7.434  -0.275   1.587
  139   1HG   GLU  20          HG2       GLU  20  -7.957   0.045   3.934
  140   2HG   GLU  20          HG1       GLU  20  -9.369   1.008   3.503
  141    H    GLU  21           HN       GLU  21  -7.968   3.491   0.083
  142    HA   GLU  21           HA       GLU  21  -5.795   2.649  -1.722
  143   1HB   GLU  21          HB2       GLU  21  -7.984   1.945  -2.551
  144   2HB   GLU  21          HB1       GLU  21  -8.568   3.600  -2.454
  145   1HG   GLU  21          HG2       GLU  21  -6.935   4.273  -4.146
  146   2HG   GLU  21          HG1       GLU  21  -6.362   2.608  -4.246
  147    H    ILE  22           HN       ILE  22  -8.093   5.366  -1.630
  148    HA   ILE  22           HA       ILE  22  -6.121   7.198  -2.594
  149    HB   ILE  22           HB       ILE  22  -8.495   7.429  -3.178
  150   1HG1  ILE  22          HG12      ILE  22  -7.448   9.786  -1.591
  151   2HG1  ILE  22          HG11      ILE  22  -7.003   9.401  -3.250
  152   1HG2  ILE  22          HG21      ILE  22  -8.940   8.287  -0.326
  153   2HG2  ILE  22          HG22      ILE  22  -9.360   6.695  -0.960
  154   3HG2  ILE  22          HG23      ILE  22 -10.147   8.137  -1.603
  155   1HD1  ILE  22          HD11      ILE  22  -9.029  10.069  -4.089
  156   2HD1  ILE  22          HD12      ILE  22  -8.818  11.195  -2.749
  157   3HD1  ILE  22          HD13      ILE  22  -9.874   9.794  -2.566
  158    H    GLY  23           HN       GLY  23  -6.876   6.040   0.503
  159   1HA   GLY  23          HA2       GLY  23  -5.998   8.486   1.846
  160   2HA   GLY  23          HA1       GLY  23  -6.653   7.056   2.625
  161    H    GLY  24           HN       GLY  24  -4.507   5.806   0.541
  162   1HA   GLY  24          HA2       GLY  24  -2.470   5.629   2.634
  163   2HA   GLY  24          HA1       GLY  24  -2.625   4.563   1.249
  164    H    LEU  25           HN       LEU  25  -2.510   6.090  -0.901
  165    HA   LEU  25           HA       LEU  25   0.194   6.721  -1.166
  166   1HB   LEU  25          HB2       LEU  25  -0.295   7.457  -3.353
  167   2HB   LEU  25          HB1       LEU  25  -1.400   6.141  -3.013
  168    HG   LEU  25           HG       LEU  25  -2.109   9.076  -2.913
  169   1HD1  LEU  25          HD11      LEU  25  -1.692   8.370  -5.184
  170   2HD1  LEU  25          HD12      LEU  25  -3.426   8.572  -4.933
  171   3HD1  LEU  25          HD13      LEU  25  -2.723   6.955  -4.965
  172   1HD2  LEU  25          HD21      LEU  25  -3.932   8.465  -1.811
  173   2HD2  LEU  25          HD22      LEU  25  -3.388   6.788  -1.804
  174   3HD2  LEU  25          HD23      LEU  25  -4.368   7.391  -3.140
  175    H    LYS  26           HN       LYS  26  -2.184   8.521   0.359
  176    HA   LYS  26           HA       LYS  26  -1.312  11.135  -0.367
  177   1HB   LYS  26          HB2       LYS  26  -3.574  10.738   0.435
  178   2HB   LYS  26          HB1       LYS  26  -2.950  10.189   1.985
  179   1HG   LYS  26          HG2       LYS  26  -2.122  12.391   2.488
  180   2HG   LYS  26          HG1       LYS  26  -2.580  12.967   0.884
  181   1HD   LYS  26          HD2       LYS  26  -4.510  11.910   2.950
  182   2HD   LYS  26          HD1       LYS  26  -4.185  13.620   2.662
  183   1HE   LYS  26          HE2       LYS  26  -4.959  13.368   0.349
  184   2HE   LYS  26          HE1       LYS  26  -5.295  11.663   0.650
  185   1HZ   LYS  26          HZ1       LYS  26  -7.227  12.166   1.594
  186   2HZ   LYS  26          HZ2       LYS  26  -7.035  13.737   0.997
  187   3HZ   LYS  26          HZ3       LYS  26  -6.545  13.367   2.573
  188    H    GLU  27           HN       GLU  27  -1.139   9.570   2.848
  189    HA   GLU  27           HA       GLU  27   1.070  11.323   3.538
  190   1HB   GLU  27          HB2       GLU  27  -0.756  10.949   5.134
  191   2HB   GLU  27          HB1       GLU  27  -0.355   9.236   5.184
  192   1HG   GLU  27          HG2       GLU  27   1.827   9.763   6.126
  193   2HG   GLU  27          HG1       GLU  27   1.448  11.483   6.057
  194    H    LEU  28           HN       LEU  28   0.570   7.850   4.073
  195    HA   LEU  28           HA       LEU  28   3.107   7.105   4.660
  196   1HB   LEU  28          HB2       LEU  28   0.994   5.584   3.161
  197   2HB   LEU  28          HB1       LEU  28   2.506   4.851   3.657
  198    HG   LEU  28           HG       LEU  28   0.826   4.261   5.254
  199   1HD1  LEU  28          HD11      LEU  28   2.545   6.430   6.444
  200   2HD1  LEU  28          HD12      LEU  28   3.068   4.777   6.123
  201   3HD1  LEU  28          HD13      LEU  28   1.795   5.085   7.304
  202   1HD2  LEU  28          HD21      LEU  28   0.307   7.041   6.130
  203   2HD2  LEU  28          HD22      LEU  28  -0.750   5.629   6.137
  204   3HD2  LEU  28          HD23      LEU  28  -0.464   6.509   4.636
  205    H    PHE  29           HN       PHE  29   1.793   6.787   1.344
  206    HA   PHE  29           HA       PHE  29   4.240   6.050   0.201
  207   1HB   PHE  29          HB2       PHE  29   1.806   7.309  -1.049
  208   2HB   PHE  29          HB1       PHE  29   3.189   6.737  -1.978
  209    HD1  PHE  29           HD1      PHE  29   2.950   4.676  -2.924
  210    HD2  PHE  29           HD2      PHE  29   1.031   5.473   0.783
  211    HE1  PHE  29           HE1      PHE  29   2.017   2.407  -2.923
  212    HE2  PHE  29           HE2      PHE  29   0.094   3.214   0.793
  213    HZ   PHE  29           HZ       PHE  29   0.581   1.663  -1.062
  214    H    LYS  30           HN       LYS  30   2.642   9.223  -0.165
  215    HA   LYS  30           HA       LYS  30   4.643  10.550  -1.471
  216   1HB   LYS  30          HB2       LYS  30   2.804  11.611   0.671
  217   2HB   LYS  30          HB1       LYS  30   3.858  12.641  -0.287
  218   1HG   LYS  30          HG2       LYS  30   2.735  11.795  -2.334
  219   2HG   LYS  30          HG1       LYS  30   1.613  10.910  -1.299
  220   1HD   LYS  30          HD2       LYS  30   0.606  12.998  -1.990
  221   2HD   LYS  30          HD1       LYS  30   0.938  13.045  -0.257
  222   1HE   LYS  30          HE2       LYS  30   1.552  15.152  -1.297
  223   2HE   LYS  30          HE1       LYS  30   2.985  14.322  -0.693
  224   1HZ   LYS  30          HZ1       LYS  30   2.075  14.549  -3.504
  225   2HZ   LYS  30          HZ2       LYS  30   3.280  13.467  -3.017
  226   3HZ   LYS  30          HZ3       LYS  30   3.513  15.132  -2.829
  227    H    MET  31           HN       MET  31   4.664   9.508   1.831
  228    HA   MET  31           HA       MET  31   6.993  11.120   2.493
  229   1HB   MET  31          HB2       MET  31   5.264  10.809   4.194
  230   2HB   MET  31          HB1       MET  31   5.477   9.066   4.112
  231   1HG   MET  31          HG2       MET  31   7.754   9.295   4.947
  232   2HG   MET  31          HG1       MET  31   7.558  11.045   5.013
  233   1HE   MET  31          HE1       MET  31   5.412  11.899   7.750
  234   2HE   MET  31          HE2       MET  31   4.259  11.056   6.716
  235   3HE   MET  31          HE3       MET  31   5.529  12.046   5.997
  236    H    ILE  32           HN       ILE  32   6.167   7.774   1.773
  237    HA   ILE  32           HA       ILE  32   8.920   6.907   2.227
  238    HB   ILE  32           HB       ILE  32   6.468   5.318   1.455
  239   1HG1  ILE  32          HG12      ILE  32   7.983   5.480   4.072
  240   2HG1  ILE  32          HG11      ILE  32   6.418   6.221   3.753
  241   1HG2  ILE  32          HG21      ILE  32   7.808   3.636   0.917
  242   2HG2  ILE  32          HG22      ILE  32   8.549   3.699   2.517
  243   3HG2  ILE  32          HG23      ILE  32   9.213   4.664   1.198
  244   1HD1  ILE  32          HD11      ILE  32   5.783   3.727   3.140
  245   2HD1  ILE  32          HD12      ILE  32   5.732   4.330   4.796
  246   3HD1  ILE  32          HD13      ILE  32   7.116   3.387   4.242
  247    H    ASP  33           HN       ASP  33   6.512   6.339  -0.323
  248    HA   ASP  33           HA       ASP  33   8.107   5.500  -2.356
  249   1HB   ASP  33          HB2       ASP  33   5.648   5.655  -2.482
  250   2HB   ASP  33          HB1       ASP  33   5.769   7.407  -2.608
  251    H    THR  34           HN       THR  34   9.982   6.343  -3.014
  252    HA   THR  34           HA       THR  34  10.729   9.044  -2.750
  253    HB   THR  34           HB       THR  34  11.844   6.968  -4.654
  254    HG1  THR  34           HG1      THR  34  11.791   6.862  -2.081
  255   1HG2  THR  34          HG21      THR  34  12.941   9.569  -3.655
  256   2HG2  THR  34          HG22      THR  34  12.817   8.982  -5.313
  257   3HG2  THR  34          HG23      THR  34  13.988   8.262  -4.208
  258    H    ASP  35           HN       ASP  35   8.577   7.573  -4.822
  259    HA   ASP  35           HA       ASP  35   8.926   9.518  -6.968
  260   1HB   ASP  35          HB2       ASP  35   8.660   7.079  -7.505
  261   2HB   ASP  35          HB1       ASP  35   7.021   7.186  -6.875
  262    H    ASN  36           HN       ASN  36   6.873   8.797  -4.264
  263    HA   ASN  36           HA       ASN  36   4.956   9.784  -3.503
  264   1HB   ASN  36          HB2       ASN  36   6.015  12.128  -5.109
  265   2HB   ASN  36          HB1       ASN  36   4.779  12.220  -3.859
  266   1HD2  ASN  36          HD21      ASN  36   5.550  13.079  -2.092
  267   2HD2  ASN  36          HD22      ASN  36   7.116  12.804  -1.416
  268    H    SER  37           HN       SER  37   5.102   8.494  -6.279
  269    HA   SER  37           HA       SER  37   3.059   9.889  -7.780
  270   1HB   SER  37          HB2       SER  37   3.241   7.984  -9.346
  271   2HB   SER  37          HB1       SER  37   4.825   8.664  -8.973
  272    HG   SER  37           HG       SER  37   5.382   6.843  -8.080
  273    H    GLY  38           HN       GLY  38   3.227   7.729  -5.240
  274   1HA   GLY  38          HA2       GLY  38   1.222   7.217  -3.992
  275   2HA   GLY  38          HA1       GLY  38   0.341   7.151  -5.512
  276    H    THR  39           HN       THR  39   3.340   5.699  -5.768
  277    HA   THR  39           HA       THR  39   2.384   3.054  -4.970
  278    HB   THR  39           HB       THR  39   3.338   3.822  -7.730
  279    HG1  THR  39           HG1      THR  39   0.967   3.702  -6.786
  280   1HG2  THR  39          HG21      THR  39   3.030   1.094  -6.534
  281   2HG2  THR  39          HG22      THR  39   4.439   1.789  -7.336
  282   3HG2  THR  39          HG23      THR  39   2.995   1.399  -8.270
  283    H    ILE  40           HN       ILE  40   3.958   1.883  -4.008
  284    HA   ILE  40           HA       ILE  40   6.682   2.982  -4.151
  285    HB   ILE  40           HB       ILE  40   5.374   1.233  -2.062
  286   1HG1  ILE  40          HG12      ILE  40   6.555   4.006  -1.849
  287   2HG1  ILE  40          HG11      ILE  40   4.837   3.682  -2.069
  288   1HG2  ILE  40          HG21      ILE  40   8.205   1.713  -2.663
  289   2HG2  ILE  40          HG22      ILE  40   7.442   0.418  -1.741
  290   3HG2  ILE  40          HG23      ILE  40   7.753   1.977  -0.979
  291   1HD1  ILE  40          HD11      ILE  40   5.191   4.106   0.231
  292   2HD1  ILE  40          HD12      ILE  40   6.555   2.990   0.296
  293   3HD1  ILE  40          HD13      ILE  40   4.919   2.371   0.067
  294    H    THR  41           HN       THR  41   8.151   1.901  -5.292
  295    HA   THR  41           HA       THR  41   7.701  -0.969  -5.792
  296    HB   THR  41           HB       THR  41   9.037  -0.685  -7.831
  297    HG1  THR  41           HG1      THR  41   9.377   1.883  -6.781
  298   1HG2  THR  41          HG21      THR  41   7.582   1.098  -8.997
  299   2HG2  THR  41          HG22      THR  41   6.684   1.115  -7.479
  300   3HG2  THR  41          HG23      THR  41   6.825  -0.380  -8.404
  301    H    PHE  42           HN       PHE  42   9.272  -2.392  -5.257
  302    HA   PHE  42           HA       PHE  42  11.010  -2.187  -3.282
  303   1HB   PHE  42          HB2       PHE  42  10.546  -4.271  -4.474
  304   2HB   PHE  42          HB1       PHE  42  11.500  -3.715  -5.844
  305    HD1  PHE  42           HD1      PHE  42  12.086  -3.763  -2.165
  306    HD2  PHE  42           HD2      PHE  42  13.418  -4.936  -6.029
  307    HE1  PHE  42           HE1      PHE  42  14.091  -4.759  -1.166
  308    HE2  PHE  42           HE2      PHE  42  15.427  -5.937  -5.038
  309    HZ   PHE  42           HZ       PHE  42  15.772  -5.853  -2.599
  310    H    ASP  43           HN       ASP  43  11.922  -1.503  -6.666
  311    HA   ASP  43           HA       ASP  43  14.580  -0.889  -6.350
  312   1HB   ASP  43          HB2       ASP  43  13.465  -0.921  -8.536
  313   2HB   ASP  43          HB1       ASP  43  12.581   0.544  -8.118
  314    H    GLU  44           HN       GLU  44  11.794   1.205  -5.829
  315    HA   GLU  44           HA       GLU  44  13.402   3.431  -4.936
  316   1HB   GLU  44          HB2       GLU  44  10.412   3.082  -4.693
  317   2HB   GLU  44          HB1       GLU  44  11.317   4.588  -4.647
  318   1HG   GLU  44          HG2       GLU  44  11.963   4.219  -7.001
  319   2HG   GLU  44          HG1       GLU  44  10.946   2.784  -7.024
  320    H    LEU  45           HN       LEU  45  11.450   0.873  -3.531
  321    HA   LEU  45           HA       LEU  45  11.075   1.712  -0.973
  322   1HB   LEU  45          HB2       LEU  45  10.249  -0.419  -1.906
  323   2HB   LEU  45          HB1       LEU  45  11.869  -1.079  -1.765
  324    HG   LEU  45           HG       LEU  45  11.767  -0.725   0.692
  325   1HD1  LEU  45          HD11      LEU  45   8.888  -0.501   0.840
  326   2HD1  LEU  45          HD12      LEU  45   9.618   0.913   0.079
  327   3HD1  LEU  45          HD13      LEU  45  10.138   0.410   1.688
  328   1HD2  LEU  45          HD21      LEU  45  10.330  -2.595   1.164
  329   2HD2  LEU  45          HD22      LEU  45  11.183  -2.887  -0.351
  330   3HD2  LEU  45          HD23      LEU  45   9.492  -2.386  -0.373
  331    H    LYS  46           HN       LYS  46  13.880  -0.128  -2.145
  332    HA   LYS  46           HA       LYS  46  15.384  -0.238   0.148
  333   1HB   LYS  46          HB2       LYS  46  16.392   0.145  -2.677
  334   2HB   LYS  46          HB1       LYS  46  17.364  -0.404  -1.318
  335   1HG   LYS  46          HG2       LYS  46  15.890  -2.369  -1.106
  336   2HG   LYS  46          HG1       LYS  46  15.014  -1.833  -2.538
  337   1HD   LYS  46          HD2       LYS  46  16.572  -3.483  -3.251
  338   2HD   LYS  46          HD1       LYS  46  17.192  -1.922  -3.787
  339   1HE   LYS  46          HE2       LYS  46  18.079  -3.339  -1.277
  340   2HE   LYS  46          HE1       LYS  46  18.922  -3.435  -2.821
  341   1HZ   LYS  46          HZ1       LYS  46  20.055  -1.757  -1.794
  342   2HZ   LYS  46          HZ2       LYS  46  18.703  -1.177  -0.961
  343   3HZ   LYS  46          HZ3       LYS  46  18.882  -0.852  -2.611
  344    H    ASP  47           HN       ASP  47  15.380   2.342  -2.296
  345    HA   ASP  47           HA       ASP  47  17.363   3.972  -1.319
  346   1HB   ASP  47          HB2       ASP  47  16.170   4.357  -3.432
  347   2HB   ASP  47          HB1       ASP  47  14.732   4.835  -2.538
  348    H    GLY  48           HN       GLY  48  14.414   3.206   0.188
  349   1HA   GLY  48          HA2       GLY  48  14.042   5.570   1.734
  350   2HA   GLY  48          HA1       GLY  48  13.339   3.992   2.068
  351    H    LEU  49           HN       LEU  49  15.333   2.364   2.577
  352    HA   LEU  49           HA       LEU  49  16.492   3.458   5.016
  353   1HB   LEU  49          HB2       LEU  49  16.538   0.642   3.919
  354   2HB   LEU  49          HB1       LEU  49  17.116   1.130   5.500
  355    HG   LEU  49           HG       LEU  49  14.248   1.254   4.560
  356   1HD1  LEU  49          HD11      LEU  49  15.830  -0.728   6.102
  357   2HD1  LEU  49          HD12      LEU  49  14.504  -0.973   4.965
  358   3HD1  LEU  49          HD13      LEU  49  14.168  -0.421   6.606
  359   1HD2  LEU  49          HD21      LEU  49  15.261   1.703   7.352
  360   2HD2  LEU  49          HD22      LEU  49  13.659   2.038   6.695
  361   3HD2  LEU  49          HD23      LEU  49  15.037   3.026   6.208
  362    H    LYS  50           HN       LYS  50  17.312   2.957   1.798
  363    HA   LYS  50           HA       LYS  50  20.137   2.541   2.240
  364   1HB   LYS  50          HB2       LYS  50  19.007   1.475   0.329
  365   2HB   LYS  50          HB1       LYS  50  18.630   3.063  -0.323
  366   1HG   LYS  50          HG2       LYS  50  20.998   3.534  -0.600
  367   2HG   LYS  50          HG1       LYS  50  21.402   1.965   0.101
  368   1HD   LYS  50          HD2       LYS  50  20.214   0.852  -1.734
  369   2HD   LYS  50          HD1       LYS  50  19.837   2.425  -2.438
  370   1HE   LYS  50          HE2       LYS  50  22.226   2.878  -2.703
  371   2HE   LYS  50          HE1       LYS  50  22.605   1.312  -1.987
  372   1HZ   LYS  50          HZ1       LYS  50  22.731   1.051  -4.313
  373   2HZ   LYS  50          HZ2       LYS  50  21.258   1.840  -4.573
  374   3HZ   LYS  50          HZ3       LYS  50  21.281   0.313  -3.847
  375    H    ARG  51           HN       ARG  51  17.957   5.146   1.822
  376    HA   ARG  51           HA       ARG  51  19.357   7.155   0.631
  377   1HB   ARG  51          HB2       ARG  51  17.063   7.366   1.541
  378   2HB   ARG  51          HB1       ARG  51  17.729   7.430   3.166
  379   1HG   ARG  51          HG2       ARG  51  17.180   9.650   2.424
  380   2HG   ARG  51          HG1       ARG  51  18.932   9.493   2.564
  381   1HD   ARG  51          HD2       ARG  51  19.100   9.153   0.152
  382   2HD   ARG  51          HD1       ARG  51  17.348   9.279   0.005
  383    HE   ARG  51           HE       ARG  51  18.294  11.599   1.247
  384   1HH1  ARG  51          HH11      ARG  51  18.463   9.996  -1.843
  385   2HH1  ARG  51          HH12      ARG  51  18.644  11.466  -2.740
  386   1HH2  ARG  51          HH21      ARG  51  18.529  13.540   0.072
  387   2HH2  ARG  51          HH22      ARG  51  18.682  13.480  -1.652
  388    H    VAL  52           HN       VAL  52  19.895   5.801   3.815
  389    HA   VAL  52           HA       VAL  52  22.077   7.717   4.273
  390    HB   VAL  52           HB       VAL  52  22.043   6.949   6.619
  391   1HG1  VAL  52          HG11      VAL  52  19.328   7.830   5.649
  392   2HG1  VAL  52          HG12      VAL  52  20.714   8.895   5.885
  393   3HG1  VAL  52          HG13      VAL  52  19.998   8.060   7.264
  394   1HG2  VAL  52          HG21      VAL  52  20.814   4.718   5.715
  395   2HG2  VAL  52          HG22      VAL  52  19.432   5.619   6.337
  396   3HG2  VAL  52          HG23      VAL  52  20.790   5.244   7.398
  397    H    GLY  53           HN       GLY  53  21.334   4.342   3.812
  398   1HA   GLY  53          HA2       GLY  53  22.668   2.495   3.537
  399   2HA   GLY  53          HA1       GLY  53  23.900   3.627   3.002
  400    H    SER  54           HN       SER  54  22.372   3.108   6.179
  401    HA   SER  54           HA       SER  54  24.875   3.368   7.528
  402   1HB   SER  54          HB2       SER  54  22.783   4.070   8.594
  403   2HB   SER  54          HB1       SER  54  22.194   2.408   8.557
  404    HG   SER  54           HG       SER  54  23.512   1.883  10.157
  405    H    GLU  55           HN       GLU  55  22.666   0.688   8.145
  406    HA   GLU  55           HA       GLU  55  24.687  -1.254   7.342
  407   1HB   GLU  55          HB2       GLU  55  24.601  -2.422   9.498
  408   2HB   GLU  55          HB1       GLU  55  25.226  -0.788   9.683
  409   1HG   GLU  55          HG2       GLU  55  23.054  -0.039  10.496
  410   2HG   GLU  55          HG1       GLU  55  22.411  -1.668  10.290
  411    H    LEU  56           HN       LEU  56  21.910  -0.373   6.606
  412    HA   LEU  56           HA       LEU  56  19.978  -2.217   7.358
  413   1HB   LEU  56          HB2       LEU  56  18.808  -1.682   5.295
  414   2HB   LEU  56          HB1       LEU  56  19.412  -0.230   6.079
  415    HG   LEU  56           HG       LEU  56  20.824  -1.566   3.767
  416   1HD1  LEU  56          HD11      LEU  56  19.551   0.905   3.078
  417   2HD1  LEU  56          HD12      LEU  56  18.353  -0.233   3.696
  418   3HD1  LEU  56          HD13      LEU  56  19.379  -0.685   2.334
  419   1HD2  LEU  56          HD21      LEU  56  22.420  -0.169   4.540
  420   2HD2  LEU  56          HD22      LEU  56  21.267   0.844   5.409
  421   3HD2  LEU  56          HD23      LEU  56  21.479   1.042   3.670
  422    H    MET  57           HN       MET  57  18.978  -3.869   6.007
  423    HA   MET  57           HA       MET  57  20.952  -5.432   4.499
  424   1HB   MET  57          HB2       MET  57  19.904  -7.490   5.416
  425   2HB   MET  57          HB1       MET  57  20.698  -6.514   6.643
  426   1HG   MET  57          HG2       MET  57  18.529  -5.612   7.322
  427   2HG   MET  57          HG1       MET  57  17.740  -6.607   6.100
  428   1HE   MET  57          HE1       MET  57  20.798  -7.987   8.509
  429   2HE   MET  57          HE2       MET  57  19.777  -8.034   9.946
  430   3HE   MET  57          HE3       MET  57  20.034  -6.510   9.097
  431    H    GLU  58           HN       GLU  58  20.332  -5.798   2.509
  432    HA   GLU  58           HA       GLU  58  17.986  -4.908   1.353
  433   1HB   GLU  58          HB2       GLU  58  19.757  -7.165   0.400
  434   2HB   GLU  58          HB1       GLU  58  18.591  -6.295  -0.587
  435   1HG   GLU  58          HG2       GLU  58  19.852  -4.235  -0.284
  436   2HG   GLU  58          HG1       GLU  58  21.015  -5.090   0.730
  437    H    SER  59           HN       SER  59  18.317  -7.507   3.424
  438    HA   SER  59           HA       SER  59  16.371  -9.267   2.265
  439   1HB   SER  59          HB2       SER  59  18.113 -10.156   3.726
  440   2HB   SER  59          HB1       SER  59  17.519  -9.172   5.064
  441    HG   SER  59           HG       SER  59  16.382 -10.903   5.465
  442    H    GLU  60           HN       GLU  60  16.340  -6.828   4.821
  443    HA   GLU  60           HA       GLU  60  13.637  -7.303   5.572
  444   1HB   GLU  60          HB2       GLU  60  15.505  -4.992   6.107
  445   2HB   GLU  60          HB1       GLU  60  13.895  -5.129   6.795
  446   1HG   GLU  60          HG2       GLU  60  16.165  -7.055   7.222
  447   2HG   GLU  60          HG1       GLU  60  15.599  -5.844   8.371
  448    H    ILE  61           HN       ILE  61  15.119  -5.667   2.984
  449    HA   ILE  61           HA       ILE  61  12.942  -3.792   2.575
  450    HB   ILE  61           HB       ILE  61  15.160  -4.397   0.630
  451   1HG1  ILE  61          HG12      ILE  61  15.163  -2.407   2.915
  452   2HG1  ILE  61          HG11      ILE  61  16.140  -3.868   2.830
  453   1HG2  ILE  61          HG21      ILE  61  14.592  -1.759   0.431
  454   2HG2  ILE  61          HG22      ILE  61  13.015  -2.400   0.888
  455   3HG2  ILE  61          HG23      ILE  61  13.832  -3.011  -0.550
  456   1HD1  ILE  61          HD11      ILE  61  16.349  -1.771   0.711
  457   2HD1  ILE  61          HD12      ILE  61  17.523  -2.997   1.190
  458   3HD1  ILE  61          HD13      ILE  61  17.216  -1.613   2.239
  459    H    LYS  62           HN       LYS  62  14.264  -6.672   0.941
  460    HA   LYS  62           HA       LYS  62  12.196  -6.712  -1.029
  461   1HB   LYS  62          HB2       LYS  62  13.118  -8.928  -1.638
  462   2HB   LYS  62          HB1       LYS  62  14.340  -7.669  -1.573
  463   1HG   LYS  62          HG2       LYS  62  15.378  -9.467  -0.561
  464   2HG   LYS  62          HG1       LYS  62  14.791  -8.530   0.812
  465   1HD   LYS  62          HD2       LYS  62  14.359 -10.904   1.137
  466   2HD   LYS  62          HD1       LYS  62  12.845 -10.013   0.983
  467   1HE   LYS  62          HE2       LYS  62  12.702 -10.691  -1.373
  468   2HE   LYS  62          HE1       LYS  62  14.201 -11.602  -1.194
  469   1HZ   LYS  62          HZ1       LYS  62  12.875 -12.723   0.735
  470   2HZ   LYS  62          HZ2       LYS  62  12.656 -13.231  -0.863
  471   3HZ   LYS  62          HZ3       LYS  62  11.529 -12.196  -0.144
  472    H    ASP  63           HN       ASP  63  12.625  -8.112   2.132
  473    HA   ASP  63           HA       ASP  63  10.407  -9.939   1.883
  474   1HB   ASP  63          HB2       ASP  63  12.359 -10.354   3.400
  475   2HB   ASP  63          HB1       ASP  63  11.826  -9.001   4.390
  476    H    LEU  64           HN       LEU  64  10.885  -6.651   2.594
  477    HA   LEU  64           HA       LEU  64   8.417  -6.305   4.077
  478   1HB   LEU  64          HB2       LEU  64  10.491  -4.967   4.525
  479   2HB   LEU  64          HB1       LEU  64  10.295  -4.229   2.946
  480    HG   LEU  64           HG       LEU  64   8.115  -3.297   3.665
  481   1HD1  LEU  64          HD11      LEU  64   8.845  -4.701   6.205
  482   2HD1  LEU  64          HD12      LEU  64   7.311  -4.689   5.336
  483   3HD1  LEU  64          HD13      LEU  64   7.829  -3.259   6.228
  484   1HD2  LEU  64          HD21      LEU  64   9.067  -1.620   5.230
  485   2HD2  LEU  64          HD22      LEU  64  10.060  -1.898   3.800
  486   3HD2  LEU  64          HD23      LEU  64  10.521  -2.611   5.346
  487    H    MET  65           HN       MET  65   9.640  -5.972   0.838
  488    HA   MET  65           HA       MET  65   7.277  -4.574  -0.109
  489   1HB   MET  65          HB2       MET  65   9.653  -4.141  -0.918
  490   2HB   MET  65          HB1       MET  65   9.544  -5.674  -1.765
  491   1HG   MET  65          HG2       MET  65   7.655  -3.376  -2.191
  492   2HG   MET  65          HG1       MET  65   9.094  -3.672  -3.164
  493   1HE   MET  65          HE1       MET  65   8.209  -7.318  -4.468
  494   2HE   MET  65          HE2       MET  65   9.341  -6.570  -3.340
  495   3HE   MET  65          HE3       MET  65   9.196  -5.951  -4.985
  496    H    ASP  66           HN       ASP  66   8.983  -7.505  -1.190
  497    HA   ASP  66           HA       ASP  66   6.961  -8.565  -2.747
  498   1HB   ASP  66          HB2       ASP  66   9.303  -9.351  -2.742
  499   2HB   ASP  66          HB1       ASP  66   9.033 -10.108  -1.176
  500    H    ALA  67           HN       ALA  67   7.798  -9.713   0.531
  501    HA   ALA  67           HA       ALA  67   5.594 -11.394   0.825
  502   1HB   ALA  67          HB1       ALA  67   6.276 -10.481   3.393
  503   2HB   ALA  67          HB2       ALA  67   7.763 -10.486   2.444
  504   3HB   ALA  67          HB3       ALA  67   6.804 -11.959   2.588
  505    H    ALA  68           HN       ALA  68   5.535  -8.047   0.652
  506    HA   ALA  68           HA       ALA  68   3.126  -7.867   2.327
  507   1HB   ALA  68          HB1       ALA  68   3.498  -5.571   2.561
  508   2HB   ALA  68          HB2       ALA  68   4.601  -5.520   1.185
  509   3HB   ALA  68          HB3       ALA  68   5.100  -6.298   2.687
  510    H    ASP  69           HN       ASP  69   4.203  -7.801  -0.947
  511    HA   ASP  69           HA       ASP  69   1.576  -6.784  -1.791
  512   1HB   ASP  69          HB2       ASP  69   2.516  -5.949  -3.753
  513   2HB   ASP  69          HB1       ASP  69   3.765  -5.627  -2.557
  514    H    ILE  70           HN       ILE  70   0.233  -8.087  -2.846
  515    HA   ILE  70           HA       ILE  70   0.958 -10.864  -3.137
  516    HB   ILE  70           HB       ILE  70  -1.197 -10.258  -2.159
  517   1HG1  ILE  70          HG12      ILE  70  -2.615 -11.777  -3.519
  518   2HG1  ILE  70          HG11      ILE  70  -1.419 -11.710  -4.808
  519   1HG2  ILE  70          HG21      ILE  70  -2.224  -8.481  -3.040
  520   2HG2  ILE  70          HG22      ILE  70  -2.858  -9.606  -4.240
  521   3HG2  ILE  70          HG23      ILE  70  -1.409  -8.667  -4.592
  522   1HD1  ILE  70          HD11      ILE  70   0.205 -12.810  -3.431
  523   2HD1  ILE  70          HD12      ILE  70  -1.288 -13.750  -3.422
  524   3HD1  ILE  70          HD13      ILE  70  -0.872 -12.741  -2.036
  525    H    ASP  71           HN       ASP  71   0.412  -8.112  -5.219
  526    HA   ASP  71           HA       ASP  71  -0.113  -9.403  -7.627
  527   1HB   ASP  71          HB2       ASP  71   1.456  -6.862  -7.145
  528   2HB   ASP  71          HB1       ASP  71   0.860  -7.388  -8.716
  529    H    LYS  72           HN       LYS  72   2.825  -9.188  -5.807
  530    HA   LYS  72           HA       LYS  72   4.925 -10.023  -6.135
  531   1HB   LYS  72          HB2       LYS  72   3.511 -11.758  -8.172
  532   2HB   LYS  72          HB1       LYS  72   5.119 -12.049  -7.524
  533   1HG   LYS  72          HG2       LYS  72   2.607 -11.982  -5.873
  534   2HG   LYS  72          HG1       LYS  72   3.351 -13.444  -6.510
  535   1HD   LYS  72          HD2       LYS  72   4.792 -11.498  -4.719
  536   2HD   LYS  72          HD1       LYS  72   3.903 -12.895  -4.112
  537   1HE   LYS  72          HE2       LYS  72   6.227 -13.471  -4.270
  538   2HE   LYS  72          HE1       LYS  72   5.341 -14.355  -5.510
  539   1HZ   LYS  72          HZ1       LYS  72   7.571 -13.047  -6.014
  540   2HZ   LYS  72          HZ2       LYS  72   6.479 -11.784  -6.282
  541   3HZ   LYS  72          HZ3       LYS  72   6.345 -13.219  -7.168
  542    H    SER  73           HN       SER  73   3.585  -7.960  -7.962
  543    HA   SER  73           HA       SER  73   5.024  -8.137 -10.445
  544   1HB   SER  73          HB2       SER  73   4.068  -5.896 -10.883
  545   2HB   SER  73          HB1       SER  73   2.840  -7.053 -10.369
  546    HG   SER  73           HG       SER  73   3.194  -6.153  -8.200
  547    H    GLY  74           HN       GLY  74   5.977  -7.309  -7.374
  548   1HA   GLY  74          HA2       GLY  74   8.229  -6.694  -6.897
  549   2HA   GLY  74          HA1       GLY  74   8.301  -5.869  -8.448
  550    H    THR  75           HN       THR  75   5.483  -4.840  -7.598
  551    HA   THR  75           HA       THR  75   6.486  -2.630  -5.926
  552    HB   THR  75           HB       THR  75   5.990  -1.897  -8.212
  553    HG1  THR  75           HG1      THR  75   4.766  -0.186  -7.629
  554   1HG2  THR  75          HG21      THR  75   4.392  -3.228  -9.162
  555   2HG2  THR  75          HG22      THR  75   3.443  -1.802  -8.741
  556   3HG2  THR  75          HG23      THR  75   3.381  -3.236  -7.716
  557    H    ILE  76           HN       ILE  76   4.402  -1.425  -4.945
  558    HA   ILE  76           HA       ILE  76   2.291  -3.251  -4.218
  559    HB   ILE  76           HB       ILE  76   4.023  -3.964  -2.660
  560   1HG1  ILE  76          HG12      ILE  76   1.832  -2.350  -1.325
  561   2HG1  ILE  76          HG11      ILE  76   1.676  -3.995  -1.935
  562   1HG2  ILE  76          HG21      ILE  76   5.391  -2.585  -1.557
  563   2HG2  ILE  76          HG22      ILE  76   4.070  -1.529  -1.058
  564   3HG2  ILE  76          HG23      ILE  76   4.802  -1.333  -2.651
  565   1HD1  ILE  76          HD11      ILE  76   2.270  -3.308   0.632
  566   2HD1  ILE  76          HD12      ILE  76   3.863  -3.660  -0.037
  567   3HD1  ILE  76          HD13      ILE  76   2.589  -4.878  -0.106
  568    H    ASP  77           HN       ASP  77   0.508  -2.295  -3.353
  569    HA   ASP  77           HA       ASP  77   0.621   0.635  -3.030
  570   1HB   ASP  77          HB2       ASP  77  -1.771   0.650  -3.829
  571   2HB   ASP  77          HB1       ASP  77  -0.579   0.233  -5.055
  572    H    TYR  78           HN       TYR  78  -1.328   1.452  -1.725
  573    HA   TYR  78           HA       TYR  78  -1.209   0.294   0.843
  574   1HB   TYR  78          HB2       TYR  78  -1.817   2.733   0.087
  575   2HB   TYR  78          HB1       TYR  78  -3.457   2.101   0.041
  576    HD1  TYR  78           HD1      TYR  78  -0.526   1.940   2.357
  577    HD2  TYR  78           HD2      TYR  78  -4.720   2.510   1.927
  578    HE1  TYR  78           HE1      TYR  78  -0.717   2.302   4.779
  579    HE2  TYR  78           HE2      TYR  78  -4.923   2.873   4.351
  580    HH   TYR  78           HH       TYR  78  -3.811   2.528   6.365
  581    H    GLY  79           HN       GLY  79  -3.656   0.160  -1.694
  582   1HA   GLY  79          HA2       GLY  79  -5.568  -1.274  -0.123
  583   2HA   GLY  79          HA1       GLY  79  -5.630  -1.019  -1.859
  584    H    GLU  80           HN       GLU  80  -2.737  -2.230  -1.720
  585    HA   GLU  80           HA       GLU  80  -3.601  -4.887  -2.406
  586   1HB   GLU  80          HB2       GLU  80  -1.832  -3.717  -3.657
  587   2HB   GLU  80          HB1       GLU  80  -0.825  -3.709  -2.217
  588   1HG   GLU  80          HG2       GLU  80  -0.717  -6.129  -2.251
  589   2HG   GLU  80          HG1       GLU  80  -1.784  -6.170  -3.656
  590    H    PHE  81           HN       PHE  81  -1.325  -3.544  -0.034
  591    HA   PHE  81           HA       PHE  81  -0.677  -5.842   1.334
  592   1HB   PHE  81          HB2       PHE  81   0.435  -3.733   1.763
  593   2HB   PHE  81          HB1       PHE  81  -1.050  -3.038   2.402
  594    HD1  PHE  81           HD1      PHE  81   0.796  -6.223   3.019
  595    HD2  PHE  81           HD2      PHE  81  -0.898  -2.676   4.638
  596    HE1  PHE  81           HE1      PHE  81   1.420  -6.969   5.283
  597    HE2  PHE  81           HE2      PHE  81  -0.277  -3.410   6.909
  598    HZ   PHE  81           HZ       PHE  81   0.884  -5.559   7.231
  599    H    ILE  82           HN       ILE  82  -3.564  -3.848   1.645
  600    HA   ILE  82           HA       ILE  82  -4.545  -5.404   3.893
  601    HB   ILE  82           HB       ILE  82  -4.961  -2.995   3.866
  602   1HG1  ILE  82          HG12      ILE  82  -7.402  -3.044   4.289
  603   2HG1  ILE  82          HG11      ILE  82  -7.484  -4.638   3.546
  604   1HG2  ILE  82          HG21      ILE  82  -5.280  -3.166   1.227
  605   2HG2  ILE  82          HG22      ILE  82  -5.942  -1.840   2.183
  606   3HG2  ILE  82          HG23      ILE  82  -6.976  -3.189   1.709
  607   1HD1  ILE  82          HD11      ILE  82  -5.533  -4.419   5.712
  608   2HD1  ILE  82          HD12      ILE  82  -6.743  -5.660   5.387
  609   3HD1  ILE  82          HD13      ILE  82  -7.208  -4.166   6.200
  610    H    ALA  83           HN       ALA  83  -4.853  -5.345   0.455
  611    HA   ALA  83           HA       ALA  83  -7.358  -6.436   0.025
  612   1HB   ALA  83          HB1       ALA  83  -5.045  -5.973  -1.506
  613   2HB   ALA  83          HB2       ALA  83  -6.665  -6.369  -2.080
  614   3HB   ALA  83          HB3       ALA  83  -5.499  -7.656  -1.773
  615    H    ALA  84           HN       ALA  84  -4.502  -7.951   1.302
  616    HA   ALA  84           HA       ALA  84  -5.357 -10.647   0.866
  617   1HB   ALA  84          HB1       ALA  84  -3.515 -11.223   2.426
  618   2HB   ALA  84          HB2       ALA  84  -3.249  -9.500   2.690
  619   3HB   ALA  84          HB3       ALA  84  -3.008 -10.193   1.087
  620    H    THR  85           HN       THR  85  -7.445 -10.809   1.702
  621    HA   THR  85           HA       THR  85  -7.581 -11.408   4.503
  622    HB   THR  85           HB       THR  85  -7.884  -9.004   4.650
  623    HG1  THR  85           HG1      THR  85  -9.229 -10.382   5.951
  624   1HG2  THR  85          HG21      THR  85  -9.999  -8.022   3.644
  625   2HG2  THR  85          HG22      THR  85  -9.989  -9.412   2.559
  626   3HG2  THR  85          HG23      THR  85  -8.633  -8.283   2.560
  627    H    VAL  86           HN       VAL  86  -9.576 -12.435   5.104
  628    HA   VAL  86           HA       VAL  86 -11.691 -12.873   3.273
  629    HB   VAL  86           HB       VAL  86 -10.000 -14.242   2.123
  630   1HG1  VAL  86          HG11      VAL  86  -8.485 -15.032   3.653
  631   2HG1  VAL  86          HG12      VAL  86  -9.479 -16.469   3.412
  632   3HG1  VAL  86          HG13      VAL  86  -9.728 -15.453   4.832
  633   1HG2  VAL  86          HG21      VAL  86 -11.744 -15.464   1.497
  634   2HG2  VAL  86          HG22      VAL  86 -12.573 -15.090   3.009
  635   3HG2  VAL  86          HG23      VAL  86 -11.515 -16.497   2.908
  636    H    HIS  87           HN       HIS  87 -13.399 -14.060   4.183
  637    HA   HIS  87           HA       HIS  87 -13.349 -14.183   7.057
  638   1HB   HIS  87          HB2       HIS  87 -15.520 -14.927   5.085
  639   2HB   HIS  87          HB1       HIS  87 -15.726 -14.852   6.831
  640    HD1  HIS  87           HD1      HIS  87 -17.630 -13.100   5.655
  641    HD2  HIS  87           HD2      HIS  87 -13.684 -11.852   6.041
  642    HE1  HIS  87           HE1      HIS  87 -17.704 -10.589   5.539
  643    HE2  HIS  87           HE2      HIS  87 -15.296  -9.860   5.693
  Start of MODEL    8
    1   1H    HIS   1           HT1      HIS   1  35.972   0.078  -0.969
    2   2H    HIS   1           HT2      HIS   1  37.590   0.424  -1.321
    3   3H    HIS   1           HT3      HIS   1  36.779  -0.788  -2.177
    4    HA   HIS   1           HA       HIS   1  37.096   1.744  -3.023
    5   1HB   HIS   1          HB2       HIS   1  36.491  -0.233  -4.358
    6   2HB   HIS   1          HB1       HIS   1  34.866  -0.199  -3.680
    7    HD1  HIS   1           HD1      HIS   1  37.072   2.332  -5.494
    8    HD2  HIS   1           HD2      HIS   1  33.160   0.934  -5.426
    9    HE1  HIS   1           HE1      HIS   1  35.864   3.628  -7.279
   10    HE2  HIS   1           HE2      HIS   1  33.518   2.709  -7.273
   11    H    SER   2           HN       SER   2  34.125   0.486  -1.517
   12    HA   SER   2           HA       SER   2  32.642   2.873  -1.751
   13   1HB   SER   2          HB2       SER   2  31.133   1.857  -0.075
   14   2HB   SER   2          HB1       SER   2  31.560   0.716  -1.351
   15    HG   SER   2           HG       SER   2  33.345   0.175   0.285
   16    H    SER   3           HN       SER   3  31.925   4.264   0.020
   17    HA   SER   3           HA       SER   3  34.181   4.987   1.720
   18   1HB   SER   3          HB2       SER   3  33.152   6.764   0.387
   19   2HB   SER   3          HB1       SER   3  31.593   6.450   1.147
   20    HG   SER   3           HG       SER   3  33.164   8.196   1.983
   21    H    GLY   4           HN       GLY   4  31.639   2.972   2.007
   22   1HA   GLY   4          HA2       GLY   4  31.079   1.833   3.996
   23   2HA   GLY   4          HA1       GLY   4  31.662   3.209   4.921
   24    H    HIS   5           HN       HIS   5  29.903   4.633   2.639
   25    HA   HIS   5           HA       HIS   5  27.313   4.241   3.959
   26   1HB   HIS   5          HB2       HIS   5  28.488   6.233   4.935
   27   2HB   HIS   5          HB1       HIS   5  28.477   6.965   3.335
   28    HD1  HIS   5           HD1      HIS   5  25.797   5.388   5.550
   29    HD2  HIS   5           HD2      HIS   5  26.455   8.732   3.174
   30    HE1  HIS   5           HE1      HIS   5  23.683   6.742   5.695
   31    HE2  HIS   5           HE2      HIS   5  24.154   8.819   4.350
   32    H    ILE   6           HN       ILE   6  28.197   3.201   1.499
   33    HA   ILE   6           HA       ILE   6  27.008   4.869  -0.574
   34    HB   ILE   6           HB       ILE   6  28.285   2.139  -0.803
   35   1HG1  ILE   6          HG12      ILE   6  29.900   3.830  -0.073
   36   2HG1  ILE   6          HG11      ILE   6  30.220   3.344  -1.734
   37   1HG2  ILE   6          HG21      ILE   6  28.087   2.282  -3.095
   38   2HG2  ILE   6          HG22      ILE   6  27.909   4.036  -3.077
   39   3HG2  ILE   6          HG23      ILE   6  26.571   3.009  -2.561
   40   1HD1  ILE   6          HD11      ILE   6  28.730   5.443  -2.277
   41   2HD1  ILE   6          HD12      ILE   6  30.449   5.601  -1.915
   42   3HD1  ILE   6          HD13      ILE   6  29.250   5.937  -0.666
   43    H    ASP   7           HN       ASP   7  24.864   4.814  -0.718
   44    HA   ASP   7           HA       ASP   7  23.335   2.532   0.141
   45   1HB   ASP   7          HB2       ASP   7  21.379   3.915  -0.536
   46   2HB   ASP   7          HB1       ASP   7  22.459   4.737   0.587
   47    H    ASP   8           HN       ASP   8  25.081   1.926  -2.012
   48    HA   ASP   8           HA       ASP   8  23.096   1.148  -4.031
   49   1HB   ASP   8          HB2       ASP   8  25.896   2.143  -4.605
   50   2HB   ASP   8          HB1       ASP   8  24.790   1.479  -5.804
   51    H    ASP   9           HN       ASP   9  24.433  -0.201  -1.695
   52    HA   ASP   9           HA       ASP   9  24.995  -2.672  -3.051
   53   1HB   ASP   9          HB2       ASP   9  27.186  -1.520  -3.180
   54   2HB   ASP   9          HB1       ASP   9  27.204  -1.395  -1.425
   55    H    ASP  10           HN       ASP  10  26.386  -1.823   0.064
   56    HA   ASP  10           HA       ASP  10  24.785  -3.865   1.336
   57   1HB   ASP  10          HB2       ASP  10  27.021  -2.102   2.329
   58   2HB   ASP  10          HB1       ASP  10  26.203  -3.292   3.340
   59    H    LYS  11           HN       LYS  11  24.845  -0.426   1.107
   60    HA   LYS  11           HA       LYS  11  23.130  -0.056   3.423
   61   1HB   LYS  11          HB2       LYS  11  24.151   1.929   1.384
   62   2HB   LYS  11          HB1       LYS  11  23.241   2.341   2.830
   63   1HG   LYS  11          HG2       LYS  11  25.948   1.022   2.784
   64   2HG   LYS  11          HG1       LYS  11  25.638   2.728   3.105
   65   1HD   LYS  11          HD2       LYS  11  24.506   0.474   4.758
   66   2HD   LYS  11          HD1       LYS  11  26.004   1.318   5.146
   67   1HE   LYS  11          HE2       LYS  11  24.247   2.288   6.447
   68   2HE   LYS  11          HE1       LYS  11  24.709   3.447   5.204
   69   1HZ   LYS  11          HZ1       LYS  11  22.192   2.748   5.724
   70   2HZ   LYS  11          HZ2       LYS  11  22.551   1.649   4.489
   71   3HZ   LYS  11          HZ3       LYS  11  22.714   3.310   4.216
   72    H    HIS  12           HN       HIS  12  22.755  -0.859   0.198
   73    HA   HIS  12           HA       HIS  12  20.262   0.523  -0.258
   74   1HB   HIS  12          HB2       HIS  12  21.894  -0.073  -2.082
   75   2HB   HIS  12          HB1       HIS  12  21.448  -1.759  -1.850
   76    HD1  HIS  12           HD1      HIS  12  20.848  -1.220  -4.526
   77    HD2  HIS  12           HD2      HIS  12  18.271   0.222  -1.603
   78    HE1  HIS  12           HE1      HIS  12  18.688  -0.734  -5.715
   79    HE2  HIS  12           HE2      HIS  12  17.182   0.243  -3.948
   80    H    MET  13           HN       MET  13  21.306  -2.742   0.590
   81    HA   MET  13           HA       MET  13  18.818  -4.023   0.401
   82   1HB   MET  13          HB2       MET  13  21.159  -4.641   2.209
   83   2HB   MET  13          HB1       MET  13  19.797  -5.717   1.928
   84   1HG   MET  13          HG2       MET  13  20.383  -5.814  -0.451
   85   2HG   MET  13          HG1       MET  13  21.769  -4.770  -0.139
   86   1HE   MET  13          HE1       MET  13  23.136  -8.426  -0.890
   87   2HE   MET  13          HE2       MET  13  23.577  -6.741  -1.169
   88   3HE   MET  13          HE3       MET  13  21.987  -7.327  -1.654
   89    H    ALA  14           HN       ALA  14  19.798  -1.614   2.526
   90    HA   ALA  14           HA       ALA  14  18.511  -2.382   4.912
   91   1HB   ALA  14          HB1       ALA  14  19.714   0.046   3.821
   92   2HB   ALA  14          HB2       ALA  14  19.774  -0.618   5.454
   93   3HB   ALA  14          HB3       ALA  14  18.389   0.348   4.944
   94    H    GLU  15           HN       GLU  15  17.366  -0.582   2.081
   95    HA   GLU  15           HA       GLU  15  14.667  -0.614   3.242
   96   1HB   GLU  15          HB2       GLU  15  14.137   1.250   1.759
   97   2HB   GLU  15          HB1       GLU  15  15.525   1.621   2.771
   98   1HG   GLU  15          HG2       GLU  15  15.829   0.606  -0.032
   99   2HG   GLU  15          HG1       GLU  15  15.631   2.317   0.333
  100    H    ARG  16           HN       ARG  16  16.419  -2.447   1.238
  101    HA   ARG  16           HA       ARG  16  14.874  -2.650  -1.104
  102   1HB   ARG  16          HB2       ARG  16  16.704  -4.579   0.302
  103   2HB   ARG  16          HB1       ARG  16  15.840  -5.037  -1.159
  104   1HG   ARG  16          HG2       ARG  16  17.763  -2.733  -0.916
  105   2HG   ARG  16          HG1       ARG  16  18.122  -4.305  -1.632
  106   1HD   ARG  16          HD2       ARG  16  16.110  -2.282  -2.610
  107   2HD   ARG  16          HD1       ARG  16  17.635  -2.715  -3.381
  108    HE   ARG  16           HE       ARG  16  16.100  -5.035  -3.112
  109   1HH1  ARG  16          HH11      ARG  16  16.059  -2.021  -4.861
  110   2HH1  ARG  16          HH12      ARG  16  15.173  -2.666  -6.203
  111   1HH2  ARG  16          HH21      ARG  16  14.931  -5.888  -4.871
  112   2HH2  ARG  16          HH22      ARG  16  14.531  -4.862  -6.208
  113    H    LEU  17           HN       LEU  17  14.534  -4.149   2.063
  114    HA   LEU  17           HA       LEU  17  12.586  -6.058   1.373
  115   1HB   LEU  17          HB2       LEU  17  13.149  -4.660   3.985
  116   2HB   LEU  17          HB1       LEU  17  11.966  -5.942   3.819
  117    HG   LEU  17           HG       LEU  17  13.820  -7.445   3.031
  118   1HD1  LEU  17          HD11      LEU  17  16.061  -6.847   3.202
  119   2HD1  LEU  17          HD12      LEU  17  15.707  -5.423   4.180
  120   3HD1  LEU  17          HD13      LEU  17  15.311  -5.433   2.462
  121   1HD2  LEU  17          HD21      LEU  17  13.841  -8.165   5.127
  122   2HD2  LEU  17          HD22      LEU  17  13.086  -6.648   5.616
  123   3HD2  LEU  17          HD23      LEU  17  14.843  -6.804   5.630
  124    H    SER  18           HN       SER  18  10.405  -5.989   1.215
  125    HA   SER  18           HA       SER  18   9.058  -3.434   1.747
  126   1HB   SER  18          HB2       SER  18   7.772  -3.691  -0.359
  127   2HB   SER  18          HB1       SER  18   9.500  -3.487  -0.649
  128    HG   SER  18           HG       SER  18   8.579  -5.187  -1.897
  129    H    GLU  19           HN       GLU  19   7.709  -3.919   3.346
  130    HA   GLU  19           HA       GLU  19   6.634  -6.453   3.891
  131   1HB   GLU  19          HB2       GLU  19   5.205  -5.334   5.501
  132   2HB   GLU  19          HB1       GLU  19   6.824  -4.653   5.569
  133   1HG   GLU  19          HG2       GLU  19   4.494  -3.416   4.118
  134   2HG   GLU  19          HG1       GLU  19   5.042  -2.961   5.731
  135    H    GLU  20           HN       GLU  20   5.900  -4.375   1.407
  136    HA   GLU  20           HA       GLU  20   3.241  -4.196   1.040
  137   1HB   GLU  20          HB2       GLU  20   4.899  -3.430  -0.595
  138   2HB   GLU  20          HB1       GLU  20   5.221  -5.095  -1.057
  139   1HG   GLU  20          HG2       GLU  20   2.923  -5.320  -1.855
  140   2HG   GLU  20          HG1       GLU  20   2.602  -3.649  -1.393
  141    H    GLU  21           HN       GLU  21   5.143  -7.144   0.453
  142    HA   GLU  21           HA       GLU  21   2.620  -8.651   0.549
  143   1HB   GLU  21          HB2       GLU  21   4.919  -9.253  -1.319
  144   2HB   GLU  21          HB1       GLU  21   3.416 -10.154  -1.195
  145   1HG   GLU  21          HG2       GLU  21   2.673  -8.891  -2.857
  146   2HG   GLU  21          HG1       GLU  21   2.576  -7.577  -1.685
  147    H    ILE  22           HN       ILE  22   4.617  -8.119   2.615
  148    HA   ILE  22           HA       ILE  22   5.914 -10.712   2.943
  149    HB   ILE  22           HB       ILE  22   6.181  -8.175   4.551
  150   1HG1  ILE  22          HG12      ILE  22   7.204  -8.051   2.334
  151   2HG1  ILE  22          HG11      ILE  22   8.446  -8.114   3.579
  152   1HG2  ILE  22          HG21      ILE  22   6.502 -10.544   5.672
  153   2HG2  ILE  22          HG22      ILE  22   7.601  -9.208   6.013
  154   3HG2  ILE  22          HG23      ILE  22   8.063 -10.456   4.857
  155   1HD1  ILE  22          HD11      ILE  22   8.755  -9.520   1.460
  156   2HD1  ILE  22          HD12      ILE  22   7.553 -10.597   2.170
  157   3HD1  ILE  22          HD13      ILE  22   9.066 -10.281   3.020
  158    H    GLY  23           HN       GLY  23   3.976  -8.535   5.043
  159   1HA   GLY  23          HA2       GLY  23   3.288 -10.867   6.668
  160   2HA   GLY  23          HA1       GLY  23   3.030  -9.190   7.106
  161    H    GLY  24           HN       GLY  24   1.382  -8.061   5.570
  162   1HA   GLY  24          HA2       GLY  24  -1.098  -9.267   6.016
  163   2HA   GLY  24          HA1       GLY  24  -0.820  -7.885   4.973
  164    H    LEU  25           HN       LEU  25   0.960  -9.394   3.181
  165    HA   LEU  25           HA       LEU  25  -0.671 -10.035   1.137
  166   1HB   LEU  25          HB2       LEU  25   1.757  -9.974   0.948
  167   2HB   LEU  25          HB1       LEU  25   1.879 -11.481   1.837
  168    HG   LEU  25           HG       LEU  25   0.513 -12.538  -0.034
  169   1HD1  LEU  25          HD11      LEU  25   0.213  -9.927  -0.854
  170   2HD1  LEU  25          HD12      LEU  25  -0.153 -11.368  -1.802
  171   3HD1  LEU  25          HD13      LEU  25   1.413 -10.576  -1.972
  172   1HD2  LEU  25          HD21      LEU  25   3.185 -12.293   0.314
  173   2HD2  LEU  25          HD22      LEU  25   2.997 -11.623  -1.307
  174   3HD2  LEU  25          HD23      LEU  25   2.430 -13.256  -0.955
  175    H    LYS  26           HN       LYS  26  -0.229 -12.026   3.957
  176    HA   LYS  26           HA       LYS  26  -1.363 -14.345   2.632
  177   1HB   LYS  26          HB2       LYS  26   0.491 -14.613   4.214
  178   2HB   LYS  26          HB1       LYS  26  -0.517 -13.971   5.502
  179   1HG   LYS  26          HG2       LYS  26  -2.003 -15.855   5.348
  180   2HG   LYS  26          HG1       LYS  26  -1.133 -16.471   3.943
  181   1HD   LYS  26          HD2       LYS  26   0.136 -16.082   6.650
  182   2HD   LYS  26          HD1       LYS  26  -0.596 -17.599   6.129
  183   1HE   LYS  26          HE2       LYS  26   1.771 -17.725   5.757
  184   2HE   LYS  26          HE1       LYS  26   0.963 -17.626   4.195
  185   1HZ   LYS  26          HZ1       LYS  26   3.035 -16.165   4.698
  186   2HZ   LYS  26          HZ2       LYS  26   1.917 -15.157   5.469
  187   3HZ   LYS  26          HZ3       LYS  26   1.738 -15.518   3.826
  188    H    GLU  27           HN       GLU  27  -2.195 -12.796   5.751
  189    HA   GLU  27           HA       GLU  27  -4.902 -13.795   5.479
  190   1HB   GLU  27          HB2       GLU  27  -3.599 -12.252   7.716
  191   2HB   GLU  27          HB1       GLU  27  -5.187 -13.005   7.782
  192   1HG   GLU  27          HG2       GLU  27  -4.173 -15.200   7.492
  193   2HG   GLU  27          HG1       GLU  27  -2.578 -14.456   7.393
  194    H    LEU  28           HN       LEU  28  -3.720 -10.614   6.555
  195    HA   LEU  28           HA       LEU  28  -6.139  -9.295   6.183
  196   1HB   LEU  28          HB2       LEU  28  -3.322  -8.256   6.314
  197   2HB   LEU  28          HB1       LEU  28  -4.713  -7.196   6.210
  198    HG   LEU  28           HG       LEU  28  -4.021  -7.339   8.503
  199   1HD1  LEU  28          HD11      LEU  28  -6.552  -7.663   7.691
  200   2HD1  LEU  28          HD12      LEU  28  -6.084  -7.556   9.388
  201   3HD1  LEU  28          HD13      LEU  28  -6.359  -9.133   8.647
  202   1HD2  LEU  28          HD21      LEU  28  -4.549 -10.279   8.587
  203   2HD2  LEU  28          HD22      LEU  28  -3.613  -9.276   9.694
  204   3HD2  LEU  28          HD23      LEU  28  -2.966  -9.673   8.102
  205    H    PHE  29           HN       PHE  29  -3.249  -8.735   4.186
  206    HA   PHE  29           HA       PHE  29  -4.281  -7.154   2.262
  207   1HB   PHE  29          HB2       PHE  29  -1.907  -8.042   2.536
  208   2HB   PHE  29          HB1       PHE  29  -2.421  -9.408   1.553
  209    HD1  PHE  29           HD1      PHE  29  -3.439  -5.878   1.149
  210    HD2  PHE  29           HD2      PHE  29  -1.114  -9.105  -0.351
  211    HE1  PHE  29           HE1      PHE  29  -2.951  -4.577  -0.873
  212    HE2  PHE  29           HE2      PHE  29  -0.623  -7.813  -2.379
  213    HZ   PHE  29           HZ       PHE  29  -1.540  -5.542  -2.647
  214    H    LYS  30           HN       LYS  30  -4.451 -10.706   2.203
  215    HA   LYS  30           HA       LYS  30  -5.791 -10.842  -0.298
  216   1HB   LYS  30          HB2       LYS  30  -5.582 -12.854   1.943
  217   2HB   LYS  30          HB1       LYS  30  -6.267 -13.201   0.363
  218   1HG   LYS  30          HG2       LYS  30  -3.438 -12.299   0.851
  219   2HG   LYS  30          HG1       LYS  30  -3.943 -13.971   0.607
  220   1HD   LYS  30          HD2       LYS  30  -4.325 -11.728  -1.375
  221   2HD   LYS  30          HD1       LYS  30  -3.049 -12.944  -1.448
  222   1HE   LYS  30          HE2       LYS  30  -6.016 -13.474  -1.578
  223   2HE   LYS  30          HE1       LYS  30  -4.900 -13.505  -2.942
  224   1HZ   LYS  30          HZ1       LYS  30  -4.033 -15.191  -0.805
  225   2HZ   LYS  30          HZ2       LYS  30  -4.275 -15.563  -2.437
  226   3HZ   LYS  30          HZ3       LYS  30  -5.574 -15.624  -1.356
  227    H    MET  31           HN       MET  31  -6.913 -10.495   2.993
  228    HA   MET  31           HA       MET  31  -9.660 -11.084   2.257
  229   1HB   MET  31          HB2       MET  31  -8.756 -11.873   4.406
  230   2HB   MET  31          HB1       MET  31  -8.503 -10.206   4.905
  231   1HG   MET  31          HG2       MET  31 -10.895  -9.798   4.826
  232   2HG   MET  31          HG1       MET  31 -11.170 -11.446   4.263
  233   1HE   MET  31          HE1       MET  31 -10.115  -9.675   8.157
  234   2HE   MET  31          HE2       MET  31  -9.192  -9.488   6.665
  235   3HE   MET  31          HE3       MET  31  -8.725 -10.715   7.843
  236    H    ILE  32           HN       ILE  32  -7.664  -8.346   2.343
  237    HA   ILE  32           HA       ILE  32  -9.865  -6.505   2.847
  238    HB   ILE  32           HB       ILE  32  -7.713  -6.023   3.891
  239   1HG1  ILE  32          HG12      ILE  32  -8.401  -4.013   1.736
  240   2HG1  ILE  32          HG11      ILE  32  -9.226  -4.164   3.285
  241   1HG2  ILE  32          HG21      ILE  32  -6.727  -6.543   1.220
  242   2HG2  ILE  32          HG22      ILE  32  -5.869  -6.529   2.760
  243   3HG2  ILE  32          HG23      ILE  32  -6.110  -5.025   1.871
  244   1HD1  ILE  32          HD11      ILE  32  -6.358  -3.874   3.580
  245   2HD1  ILE  32          HD12      ILE  32  -7.675  -2.972   4.331
  246   3HD1  ILE  32          HD13      ILE  32  -7.100  -2.519   2.726
  247    H    ASP  33           HN       ASP  33  -7.975  -7.740   0.205
  248    HA   ASP  33           HA       ASP  33  -8.989  -5.730  -1.633
  249   1HB   ASP  33          HB2       ASP  33  -6.661  -6.515  -1.859
  250   2HB   ASP  33          HB1       ASP  33  -7.248  -8.148  -2.162
  251    H    THR  34           HN       THR  34 -10.792  -5.958  -2.765
  252    HA   THR  34           HA       THR  34 -12.489  -8.195  -2.468
  253    HB   THR  34           HB       THR  34 -12.581  -5.981  -4.532
  254    HG1  THR  34           HG1      THR  34 -13.348  -6.150  -1.864
  255   1HG2  THR  34          HG21      THR  34 -14.074  -8.158  -4.737
  256   2HG2  THR  34          HG22      THR  34 -14.694  -6.548  -5.103
  257   3HG2  THR  34          HG23      THR  34 -15.040  -7.292  -3.542
  258    H    ASP  35           HN       ASP  35  -9.823  -7.617  -4.455
  259    HA   ASP  35           HA       ASP  35 -10.656  -9.595  -6.430
  260   1HB   ASP  35          HB2       ASP  35  -8.501  -7.519  -6.412
  261   2HB   ASP  35          HB1       ASP  35  -8.481  -8.846  -7.566
  262    H    ASN  36           HN       ASN  36  -8.619  -9.272  -3.674
  263    HA   ASN  36           HA       ASN  36  -7.040 -10.663  -2.769
  264   1HB   ASN  36          HB2       ASN  36  -8.382 -12.923  -4.237
  265   2HB   ASN  36          HB1       ASN  36  -7.676 -12.923  -2.625
  266   1HD2  ASN  36          HD21      ASN  36 -10.486 -13.074  -4.222
  267   2HD2  ASN  36          HD22      ASN  36 -11.555 -12.414  -3.037
  268    H    SER  37           HN       SER  37  -6.670  -9.602  -5.600
  269    HA   SER  37           HA       SER  37  -5.106 -11.686  -6.882
  270   1HB   SER  37          HB2       SER  37  -4.706  -9.985  -8.628
  271   2HB   SER  37          HB1       SER  37  -6.426 -10.138  -8.267
  272    HG   SER  37           HG       SER  37  -4.770  -8.190  -7.053
  273    H    GLY  38           HN       GLY  38  -4.723  -9.265  -4.595
  274   1HA   GLY  38          HA2       GLY  38  -2.704  -9.185  -3.275
  275   2HA   GLY  38          HA1       GLY  38  -1.787  -9.594  -4.719
  276    H    THR  39           HN       THR  39  -4.338  -7.287  -4.884
  277    HA   THR  39           HA       THR  39  -2.709  -4.974  -4.438
  278    HB   THR  39           HB       THR  39  -3.494  -5.734  -7.254
  279    HG1  THR  39           HG1      THR  39  -0.965  -5.011  -6.214
  280   1HG2  THR  39          HG21      THR  39  -2.461  -3.119  -6.208
  281   2HG2  THR  39          HG22      THR  39  -3.981  -3.422  -7.054
  282   3HG2  THR  39          HG23      THR  39  -2.447  -3.588  -7.910
  283    H    ILE  40           HN       ILE  40  -3.985  -3.281  -3.883
  284    HA   ILE  40           HA       ILE  40  -6.872  -3.642  -4.305
  285    HB   ILE  40           HB       ILE  40  -5.312  -2.170  -2.193
  286   1HG1  ILE  40          HG12      ILE  40  -7.602  -4.125  -1.989
  287   2HG1  ILE  40          HG11      ILE  40  -5.903  -4.596  -1.939
  288   1HG2  ILE  40          HG21      ILE  40  -7.324  -1.157  -1.353
  289   2HG2  ILE  40          HG22      ILE  40  -8.284  -1.912  -2.625
  290   3HG2  ILE  40          HG23      ILE  40  -7.102  -0.669  -3.033
  291   1HD1  ILE  40          HD11      ILE  40  -6.207  -2.566  -0.031
  292   2HD1  ILE  40          HD12      ILE  40  -5.950  -4.288   0.251
  293   3HD1  ILE  40          HD13      ILE  40  -7.590  -3.643   0.164
  294    H    THR  41           HN       THR  41  -8.162  -1.887  -4.953
  295    HA   THR  41           HA       THR  41  -6.771   0.444  -6.075
  296    HB   THR  41           HB       THR  41  -8.978  -1.052  -7.504
  297    HG1  THR  41           HG1      THR  41  -7.401  -1.899  -8.808
  298   1HG2  THR  41          HG21      THR  41  -9.035   1.091  -8.367
  299   2HG2  THR  41          HG22      THR  41  -7.962   0.239  -9.476
  300   3HG2  THR  41          HG23      THR  41  -7.288   1.297  -8.238
  301    H    PHE  42           HN       PHE  42  -8.392   2.214  -6.562
  302    HA   PHE  42           HA       PHE  42  -9.892   2.849  -4.317
  303   1HB   PHE  42          HB2       PHE  42  -9.054   4.603  -5.708
  304   2HB   PHE  42          HB1       PHE  42  -9.896   3.972  -7.118
  305    HD1  PHE  42           HD1      PHE  42 -11.417   5.544  -7.787
  306    HD2  PHE  42           HD2      PHE  42 -11.066   4.645  -3.646
  307    HE1  PHE  42           HE1      PHE  42 -13.333   7.000  -7.314
  308    HE2  PHE  42           HE2      PHE  42 -12.983   6.100  -3.163
  309    HZ   PHE  42           HZ       PHE  42 -14.126   7.285  -4.997
  310    H    ASP  43           HN       ASP  43 -11.038   1.921  -7.579
  311    HA   ASP  43           HA       ASP  43 -13.764   1.891  -7.004
  312   1HB   ASP  43          HB2       ASP  43 -12.893   1.704  -9.291
  313   2HB   ASP  43          HB1       ASP  43 -12.235   0.112  -8.923
  314    H    GLU  44           HN       GLU  44 -11.244  -0.365  -6.294
  315    HA   GLU  44           HA       GLU  44 -13.063  -2.442  -5.368
  316   1HB   GLU  44          HB2       GLU  44 -10.053  -2.346  -5.116
  317   2HB   GLU  44          HB1       GLU  44 -11.090  -3.764  -5.041
  318   1HG   GLU  44          HG2       GLU  44 -11.530  -3.684  -7.358
  319   2HG   GLU  44          HG1       GLU  44 -10.839  -2.070  -7.507
  320    H    LEU  45           HN       LEU  45 -11.244   0.217  -4.221
  321    HA   LEU  45           HA       LEU  45 -10.886  -0.513  -1.539
  322   1HB   LEU  45          HB2       LEU  45  -9.623   1.285  -2.600
  323   2HB   LEU  45          HB1       LEU  45 -11.090   2.233  -2.756
  324    HG   LEU  45           HG       LEU  45 -11.271   2.299  -0.281
  325   1HD1  LEU  45          HD11      LEU  45  -9.147   1.724   0.968
  326   2HD1  LEU  45          HD12      LEU  45  -8.664   0.817  -0.465
  327   3HD1  LEU  45          HD13      LEU  45 -10.123   0.363   0.416
  328   1HD2  LEU  45          HD21      LEU  45  -9.915   3.927  -1.852
  329   2HD2  LEU  45          HD22      LEU  45  -8.554   3.320  -0.909
  330   3HD2  LEU  45          HD23      LEU  45  -9.905   4.114  -0.099
  331    H    LYS  46           HN       LYS  46 -13.123   1.894  -2.885
  332    HA   LYS  46           HA       LYS  46 -14.693   2.256  -0.629
  333   1HB   LYS  46          HB2       LYS  46 -16.419   3.111  -2.221
  334   2HB   LYS  46          HB1       LYS  46 -14.820   3.804  -2.455
  335   1HG   LYS  46          HG2       LYS  46 -14.440   2.250  -4.322
  336   2HG   LYS  46          HG1       LYS  46 -16.072   1.618  -4.105
  337   1HD   LYS  46          HD2       LYS  46 -15.388   4.486  -4.748
  338   2HD   LYS  46          HD1       LYS  46 -15.929   3.284  -5.920
  339   1HE   LYS  46          HE2       LYS  46 -17.490   4.245  -3.524
  340   2HE   LYS  46          HE1       LYS  46 -17.765   4.734  -5.195
  341   1HZ   LYS  46          HZ1       LYS  46 -18.229   2.092  -3.954
  342   2HZ   LYS  46          HZ2       LYS  46 -18.087   2.262  -5.631
  343   3HZ   LYS  46          HZ3       LYS  46 -19.322   3.068  -4.802
  344    H    ASP  47           HN       ASP  47 -14.999  -0.134  -3.205
  345    HA   ASP  47           HA       ASP  47 -17.523  -1.145  -2.443
  346   1HB   ASP  47          HB2       ASP  47 -16.442  -1.516  -4.660
  347   2HB   ASP  47          HB1       ASP  47 -15.291  -2.595  -3.884
  348    H    GLY  48           HN       GLY  48 -14.443  -1.406  -1.061
  349   1HA   GLY  48          HA2       GLY  48 -14.974  -3.929   0.300
  350   2HA   GLY  48          HA1       GLY  48 -13.506  -2.964   0.425
  351    H    LEU  49           HN       LEU  49 -14.647  -0.499   1.011
  352    HA   LEU  49           HA       LEU  49 -15.191  -0.830   3.819
  353   1HB   LEU  49          HB2       LEU  49 -13.806   1.025   2.796
  354   2HB   LEU  49          HB1       LEU  49 -15.293   1.699   2.164
  355    HG   LEU  49           HG       LEU  49 -14.936   1.251   5.117
  356   1HD1  LEU  49          HD11      LEU  49 -14.134   3.532   5.320
  357   2HD1  LEU  49          HD12      LEU  49 -14.157   3.718   3.566
  358   3HD1  LEU  49          HD13      LEU  49 -13.032   2.586   4.319
  359   1HD2  LEU  49          HD21      LEU  49 -16.413   3.562   4.081
  360   2HD2  LEU  49          HD22      LEU  49 -16.847   2.409   5.344
  361   3HD2  LEU  49          HD23      LEU  49 -17.106   1.999   3.648
  362    H    LYS  50           HN       LYS  50 -16.931  -0.568   0.910
  363    HA   LYS  50           HA       LYS  50 -19.393   0.335   2.117
  364   1HB   LYS  50          HB2       LYS  50 -18.867   1.011  -0.180
  365   2HB   LYS  50          HB1       LYS  50 -18.828  -0.675  -0.675
  366   1HG   LYS  50          HG2       LYS  50 -20.907   0.337  -1.351
  367   2HG   LYS  50          HG1       LYS  50 -21.212  -0.877  -0.107
  368   1HD   LYS  50          HD2       LYS  50 -21.355   0.889   1.581
  369   2HD   LYS  50          HD1       LYS  50 -21.041   2.104   0.340
  370   1HE   LYS  50          HE2       LYS  50 -23.403   0.229   0.416
  371   2HE   LYS  50          HE1       LYS  50 -23.429   1.933   0.868
  372   1HZ   LYS  50          HZ1       LYS  50 -24.229   1.441  -1.423
  373   2HZ   LYS  50          HZ2       LYS  50 -22.656   0.969  -1.829
  374   3HZ   LYS  50          HZ3       LYS  50 -22.964   2.564  -1.356
  375    H    ARG  51           HN       ARG  51 -17.929  -2.637   0.970
  376    HA   ARG  51           HA       ARG  51 -20.089  -4.351   0.942
  377   1HB   ARG  51          HB2       ARG  51 -17.851  -5.025   0.233
  378   2HB   ARG  51          HB1       ARG  51 -17.280  -4.942   1.894
  379   1HG   ARG  51          HG2       ARG  51 -18.726  -6.774   2.522
  380   2HG   ARG  51          HG1       ARG  51 -19.416  -6.819   0.900
  381   1HD   ARG  51          HD2       ARG  51 -17.750  -8.576   1.197
  382   2HD   ARG  51          HD1       ARG  51 -17.234  -7.410  -0.020
  383    HE   ARG  51           HE       ARG  51 -16.170  -6.620   2.436
  384   1HH1  ARG  51          HH11      ARG  51 -15.882  -9.254   0.172
  385   2HH1  ARG  51          HH12      ARG  51 -14.230  -9.586   0.572
  386   1HH2  ARG  51          HH21      ARG  51 -13.994  -7.050   2.967
  387   2HH2  ARG  51          HH22      ARG  51 -13.157  -8.335   2.161
  388    H    VAL  52           HN       VAL  52 -18.419  -2.994   3.696
  389    HA   VAL  52           HA       VAL  52 -19.820  -4.730   5.563
  390    HB   VAL  52           HB       VAL  52 -18.607  -3.530   7.323
  391   1HG1  VAL  52          HG11      VAL  52 -17.357  -5.332   6.664
  392   2HG1  VAL  52          HG12      VAL  52 -16.223  -4.024   6.331
  393   3HG1  VAL  52          HG13      VAL  52 -17.161  -4.734   5.017
  394   1HG2  VAL  52          HG21      VAL  52 -17.024  -1.795   6.846
  395   2HG2  VAL  52          HG22      VAL  52 -18.579  -1.325   6.160
  396   3HG2  VAL  52          HG23      VAL  52 -17.305  -1.948   5.112
  397    H    GLY  53           HN       GLY  53 -19.983  -1.468   4.313
  398   1HA   GLY  53          HA2       GLY  53 -21.650   0.108   4.463
  399   2HA   GLY  53          HA1       GLY  53 -22.664  -1.138   5.171
  400    H    SER  54           HN       SER  54 -19.649   0.415   6.291
  401    HA   SER  54           HA       SER  54 -20.437   0.488   8.979
  402   1HB   SER  54          HB2       SER  54 -18.408   2.209   7.534
  403   2HB   SER  54          HB1       SER  54 -18.549   2.066   9.286
  404    HG   SER  54           HG       SER  54 -18.405  -0.369   8.124
  405    H    GLU  55           HN       GLU  55 -19.518   3.622   7.857
  406    HA   GLU  55           HA       GLU  55 -22.051   4.790   7.513
  407   1HB   GLU  55          HB2       GLU  55 -22.236   6.015   9.657
  408   2HB   GLU  55          HB1       GLU  55 -22.422   4.278   9.850
  409   1HG   GLU  55          HG2       GLU  55 -20.112   4.117  10.627
  410   2HG   GLU  55          HG1       GLU  55 -19.929   5.860  10.436
  411    H    LEU  56           HN       LEU  56 -19.593   4.988   6.226
  412    HA   LEU  56           HA       LEU  56 -18.696   7.707   6.921
  413   1HB   LEU  56          HB2       LEU  56 -17.195   5.819   5.135
  414   2HB   LEU  56          HB1       LEU  56 -16.599   7.241   5.969
  415    HG   LEU  56           HG       LEU  56 -17.375   4.639   7.292
  416   1HD1  LEU  56          HD11      LEU  56 -15.345   4.076   6.480
  417   2HD1  LEU  56          HD12      LEU  56 -14.784   4.995   7.877
  418   3HD1  LEU  56          HD13      LEU  56 -14.835   5.753   6.285
  419   1HD2  LEU  56          HD21      LEU  56 -17.762   6.061   9.014
  420   2HD2  LEU  56          HD22      LEU  56 -16.750   7.336   8.335
  421   3HD2  LEU  56          HD23      LEU  56 -16.007   5.969   9.165
  422    H    MET  57           HN       MET  57 -17.642   8.735   4.867
  423    HA   MET  57           HA       MET  57 -19.704   8.683   2.775
  424   1HB   MET  57          HB2       MET  57 -19.343  10.831   4.046
  425   2HB   MET  57          HB1       MET  57 -17.720  10.888   3.374
  426   1HG   MET  57          HG2       MET  57 -19.179  12.326   2.117
  427   2HG   MET  57          HG1       MET  57 -18.676  10.970   1.115
  428   1HE   MET  57          HE1       MET  57 -22.835  11.288   3.085
  429   2HE   MET  57          HE2       MET  57 -21.654  12.597   3.130
  430   3HE   MET  57          HE3       MET  57 -21.329  11.086   3.980
  431    H    GLU  58           HN       GLU  58 -19.143   7.910   0.863
  432    HA   GLU  58           HA       GLU  58 -16.775   6.652   0.257
  433   1HB   GLU  58          HB2       GLU  58 -17.464   6.713  -2.085
  434   2HB   GLU  58          HB1       GLU  58 -18.819   6.328  -1.037
  435   1HG   GLU  58          HG2       GLU  58 -18.321   9.129  -1.964
  436   2HG   GLU  58          HG1       GLU  58 -19.181   7.970  -2.973
  437    H    SER  59           HN       SER  59 -17.254   9.921   0.533
  438    HA   SER  59           HA       SER  59 -15.518  10.957  -1.443
  439   1HB   SER  59          HB2       SER  59 -16.364  12.155   1.204
  440   2HB   SER  59          HB1       SER  59 -15.569  13.032  -0.103
  441    HG   SER  59           HG       SER  59 -18.132  11.824  -0.131
  442    H    GLU  60           HN       GLU  60 -15.016  10.128   1.978
  443    HA   GLU  60           HA       GLU  60 -12.313  10.968   2.052
  444   1HB   GLU  60          HB2       GLU  60 -13.686  10.695   4.081
  445   2HB   GLU  60          HB1       GLU  60 -13.760   8.962   3.796
  446   1HG   GLU  60          HG2       GLU  60 -11.344   8.804   4.087
  447   2HG   GLU  60          HG1       GLU  60 -11.262  10.544   4.361
  448    H    ILE  61           HN       ILE  61 -13.904   8.222   0.796
  449    HA   ILE  61           HA       ILE  61 -11.797   6.331   0.977
  450    HB   ILE  61           HB       ILE  61 -14.071   6.434  -1.008
  451   1HG1  ILE  61          HG12      ILE  61 -13.846   5.090   1.696
  452   2HG1  ILE  61          HG11      ILE  61 -14.889   6.447   1.293
  453   1HG2  ILE  61          HG21      ILE  61 -13.180   3.802  -0.299
  454   2HG2  ILE  61          HG22      ILE  61 -11.822   4.757  -0.895
  455   3HG2  ILE  61          HG23      ILE  61 -13.265   4.561  -1.889
  456   1HD1  ILE  61          HD11      ILE  61 -16.058   4.271   1.422
  457   2HD1  ILE  61          HD12      ILE  61 -15.104   3.721   0.044
  458   3HD1  ILE  61          HD13      ILE  61 -16.221   5.074  -0.141
  459    H    LYS  62           HN       LYS  62 -12.705   8.730  -1.463
  460    HA   LYS  62           HA       LYS  62 -10.802   7.805  -3.382
  461   1HB   LYS  62          HB2       LYS  62 -11.433   9.666  -4.713
  462   2HB   LYS  62          HB1       LYS  62 -12.894   9.108  -3.917
  463   1HG   LYS  62          HG2       LYS  62 -13.124  11.348  -3.625
  464   2HG   LYS  62          HG1       LYS  62 -12.231  10.951  -2.157
  465   1HD   LYS  62          HD2       LYS  62 -11.268  12.915  -3.212
  466   2HD   LYS  62          HD1       LYS  62 -10.131  11.569  -3.283
  467   1HE   LYS  62          HE2       LYS  62 -10.806  11.127  -5.596
  468   2HE   LYS  62          HE1       LYS  62 -11.939  12.477  -5.522
  469   1HZ   LYS  62          HZ1       LYS  62  -9.016  12.510  -5.690
  470   2HZ   LYS  62          HZ2       LYS  62  -9.773  13.762  -4.843
  471   3HZ   LYS  62          HZ3       LYS  62 -10.154  13.492  -6.469
  472    H    ASP  63           HN       ASP  63 -10.795  10.228  -0.832
  473    HA   ASP  63           HA       ASP  63  -8.217  11.287  -1.577
  474   1HB   ASP  63          HB2       ASP  63  -9.743  11.620   1.020
  475   2HB   ASP  63          HB1       ASP  63  -8.354  12.570   0.504
  476    H    LEU  64           HN       LEU  64  -9.465   8.724   0.341
  477    HA   LEU  64           HA       LEU  64  -7.170   8.344   2.004
  478   1HB   LEU  64          HB2       LEU  64  -9.492   7.591   2.571
  479   2HB   LEU  64          HB1       LEU  64  -9.352   6.378   1.312
  480    HG   LEU  64           HG       LEU  64  -7.471   5.338   2.520
  481   1HD1  LEU  64          HD11      LEU  64  -7.808   7.726   4.206
  482   2HD1  LEU  64          HD12      LEU  64  -6.370   6.763   3.869
  483   3HD1  LEU  64          HD13      LEU  64  -7.540   6.211   5.068
  484   1HD2  LEU  64          HD21      LEU  64  -9.810   5.648   4.380
  485   2HD2  LEU  64          HD22      LEU  64  -8.781   4.237   4.133
  486   3HD2  LEU  64          HD23      LEU  64  -9.912   4.734   2.874
  487    H    MET  65           HN       MET  65  -8.184   7.243  -1.144
  488    HA   MET  65           HA       MET  65  -6.188   5.163  -1.302
  489   1HB   MET  65          HB2       MET  65  -8.403   5.005  -2.434
  490   2HB   MET  65          HB1       MET  65  -7.925   6.326  -3.487
  491   1HG   MET  65          HG2       MET  65  -6.410   3.737  -3.306
  492   2HG   MET  65          HG1       MET  65  -7.724   4.013  -4.446
  493   1HE   MET  65          HE1       MET  65  -7.715   6.592  -5.282
  494   2HE   MET  65          HE2       MET  65  -7.128   5.995  -6.834
  495   3HE   MET  65          HE3       MET  65  -6.303   7.333  -6.036
  496    H    ASP  66           HN       ASP  66  -6.689   8.375  -2.736
  497    HA   ASP  66           HA       ASP  66  -4.377   8.385  -4.339
  498   1HB   ASP  66          HB2       ASP  66  -6.260   9.967  -4.615
  499   2HB   ASP  66          HB1       ASP  66  -5.807  10.749  -3.104
  500    H    ALA  67           HN       ALA  67  -4.933   9.836  -1.128
  501    HA   ALA  67           HA       ALA  67  -2.259  10.712  -0.798
  502   1HB   ALA  67          HB1       ALA  67  -4.598  10.401   1.037
  503   2HB   ALA  67          HB2       ALA  67  -3.777  11.868   0.505
  504   3HB   ALA  67          HB3       ALA  67  -3.005  10.803   1.680
  505    H    ALA  68           HN       ALA  68  -3.509   7.614  -0.764
  506    HA   ALA  68           HA       ALA  68  -1.635   6.606   1.238
  507   1HB   ALA  68          HB1       ALA  68  -3.973   5.443  -0.206
  508   2HB   ALA  68          HB2       ALA  68  -3.643   5.519   1.524
  509   3HB   ALA  68          HB3       ALA  68  -2.766   4.374   0.509
  510    H    ASP  69           HN       ASP  69  -2.401   6.116  -2.199
  511    HA   ASP  69           HA       ASP  69   0.114   4.685  -2.560
  512   1HB   ASP  69          HB2       ASP  69  -1.812   3.650  -3.577
  513   2HB   ASP  69          HB1       ASP  69  -2.226   5.142  -4.420
  514    H    ILE  70           HN       ILE  70   1.862   5.726  -3.123
  515    HA   ILE  70           HA       ILE  70   1.745   8.440  -4.105
  516    HB   ILE  70           HB       ILE  70   3.402   7.778  -2.409
  517   1HG1  ILE  70          HG12      ILE  70   4.652   8.614  -5.039
  518   2HG1  ILE  70          HG11      ILE  70   3.846   9.695  -3.906
  519   1HG2  ILE  70          HG21      ILE  70   4.984   6.160  -2.687
  520   2HG2  ILE  70          HG22      ILE  70   5.041   6.359  -4.439
  521   3HG2  ILE  70          HG23      ILE  70   3.702   5.487  -3.693
  522   1HD1  ILE  70          HD11      ILE  70   6.142   9.972  -3.533
  523   2HD1  ILE  70          HD12      ILE  70   6.441   8.234  -3.559
  524   3HD1  ILE  70          HD13      ILE  70   5.573   8.960  -2.205
  525    H    ASP  71           HN       ASP  71   2.032   5.282  -5.379
  526    HA   ASP  71           HA       ASP  71   3.502   5.801  -7.732
  527   1HB   ASP  71          HB2       ASP  71   3.000   3.530  -6.818
  528   2HB   ASP  71          HB1       ASP  71   1.328   3.733  -7.322
  529    H    LYS  72           HN       LYS  72   0.444   6.823  -6.748
  530    HA   LYS  72           HA       LYS  72  -1.369   7.734  -7.786
  531   1HB   LYS  72          HB2       LYS  72   0.795   8.674  -9.675
  532   2HB   LYS  72          HB1       LYS  72  -0.794   9.405  -9.477
  533   1HG   LYS  72          HG2       LYS  72   1.205   9.165  -7.247
  534   2HG   LYS  72          HG1       LYS  72   1.078  10.570  -8.297
  535   1HD   LYS  72          HD2       LYS  72  -1.236  10.901  -7.593
  536   2HD   LYS  72          HD1       LYS  72  -1.131   9.470  -6.565
  537   1HE   LYS  72          HE2       LYS  72   0.520  11.980  -6.278
  538   2HE   LYS  72          HE1       LYS  72  -0.859  11.534  -5.275
  539   1HZ   LYS  72          HZ1       LYS  72   0.364   9.568  -4.553
  540   2HZ   LYS  72          HZ2       LYS  72   1.211  10.984  -4.183
  541   3HZ   LYS  72          HZ3       LYS  72   1.693  10.030  -5.494
  542    H    SER  73           HN       SER  73  -0.605   5.021  -8.627
  543    HA   SER  73           HA       SER  73  -1.385   4.958 -11.443
  544   1HB   SER  73          HB2       SER  73  -0.858   2.549 -11.314
  545   2HB   SER  73          HB1       SER  73   0.493   3.539 -10.762
  546    HG   SER  73           HG       SER  73  -0.652   3.161  -8.589
  547    H    GLY  74           HN       GLY  74  -2.957   5.103  -8.574
  548   1HA   GLY  74          HA2       GLY  74  -5.285   4.966  -8.311
  549   2HA   GLY  74          HA1       GLY  74  -5.366   3.957  -9.747
  550    H    THR  75           HN       THR  75  -3.021   2.414  -8.409
  551    HA   THR  75           HA       THR  75  -4.767   0.734  -6.735
  552    HB   THR  75           HB       THR  75  -3.240  -1.127  -7.315
  553    HG1  THR  75           HG1      THR  75  -1.656  -0.810  -8.851
  554   1HG2  THR  75          HG21      THR  75  -4.972  -1.271  -8.776
  555   2HG2  THR  75          HG22      THR  75  -3.650  -0.991  -9.909
  556   3HG2  THR  75          HG23      THR  75  -4.701   0.343  -9.433
  557    H    ILE  76           HN       ILE  76  -4.283   0.503  -4.657
  558    HA   ILE  76           HA       ILE  76  -1.767   1.628  -3.679
  559    HB   ILE  76           HB       ILE  76  -3.761   2.515  -2.631
  560   1HG1  ILE  76          HG12      ILE  76  -3.249   2.008  -0.259
  561   2HG1  ILE  76          HG11      ILE  76  -2.258   0.649  -0.779
  562   1HG2  ILE  76          HG21      ILE  76  -4.443  -0.358  -2.339
  563   2HG2  ILE  76          HG22      ILE  76  -5.468   1.013  -2.762
  564   3HG2  ILE  76          HG23      ILE  76  -4.986   0.757  -1.085
  565   1HD1  ILE  76          HD11      ILE  76  -0.525   2.014  -0.879
  566   2HD1  ILE  76          HD12      ILE  76  -1.552   3.397  -0.504
  567   3HD1  ILE  76          HD13      ILE  76  -1.325   2.897  -2.179
  568    H    ASP  77           HN       ASP  77  -0.300   0.506  -2.510
  569    HA   ASP  77           HA       ASP  77  -0.806  -2.359  -2.052
  570   1HB   ASP  77          HB2       ASP  77   1.751  -1.124  -3.103
  571   2HB   ASP  77          HB1       ASP  77   1.548  -2.818  -2.667
  572    H    TYR  78           HN       TYR  78   0.349  -3.293  -0.285
  573    HA   TYR  78           HA       TYR  78   0.478  -1.672   2.001
  574   1HB   TYR  78          HB2       TYR  78   1.359  -4.470   1.398
  575   2HB   TYR  78          HB1       TYR  78   1.845  -3.723   2.913
  576    HD1  TYR  78           HD1      TYR  78   0.637  -5.299   4.264
  577    HD2  TYR  78           HD2      TYR  78  -1.403  -2.956   1.355
  578    HE1  TYR  78           HE1      TYR  78  -1.511  -5.908   5.289
  579    HE2  TYR  78           HE2      TYR  78  -3.559  -3.561   2.374
  580    HH   TYR  78           HH       TYR  78  -4.507  -4.411   4.310
  581    H    GLY  79           HN       GLY  79   2.749  -2.020  -0.490
  582   1HA   GLY  79          HA2       GLY  79   5.053  -1.423   1.183
  583   2HA   GLY  79          HA1       GLY  79   5.062  -1.655  -0.558
  584    H    GLU  80           HN       GLU  80   3.085   0.228  -1.250
  585    HA   GLU  80           HA       GLU  80   4.656   2.654  -0.978
  586   1HB   GLU  80          HB2       GLU  80   2.176   2.107  -2.617
  587   2HB   GLU  80          HB1       GLU  80   3.191   3.540  -2.729
  588   1HG   GLU  80          HG2       GLU  80   5.067   2.152  -3.454
  589   2HG   GLU  80          HG1       GLU  80   4.046   0.720  -3.348
  590    H    PHE  81           HN       PHE  81   1.814   1.267   0.333
  591    HA   PHE  81           HA       PHE  81   0.332   3.548   1.001
  592   1HB   PHE  81          HB2       PHE  81  -0.591   1.291   1.167
  593   2HB   PHE  81          HB1       PHE  81   0.550   0.897   2.447
  594    HD1  PHE  81           HD1      PHE  81  -0.640   0.558   4.380
  595    HD2  PHE  81           HD2      PHE  81  -1.635   3.871   1.904
  596    HE1  PHE  81           HE1      PHE  81  -2.267   1.321   6.061
  597    HE2  PHE  81           HE2      PHE  81  -3.263   4.642   3.580
  598    HZ   PHE  81           HZ       PHE  81  -3.580   3.366   5.662
  599    H    ILE  82           HN       ILE  82   2.608   1.685   3.016
  600    HA   ILE  82           HA       ILE  82   2.631   3.662   5.090
  601    HB   ILE  82           HB       ILE  82   2.994   1.287   5.590
  602   1HG1  ILE  82          HG12      ILE  82   4.988   1.542   7.048
  603   2HG1  ILE  82          HG11      ILE  82   5.380   3.043   6.215
  604   1HG2  ILE  82          HG21      ILE  82   5.408   0.465   5.058
  605   2HG2  ILE  82          HG22      ILE  82   5.323   1.659   3.763
  606   3HG2  ILE  82          HG23      ILE  82   4.144   0.348   3.833
  607   1HD1  ILE  82          HD11      ILE  82   3.209   3.965   6.972
  608   2HD1  ILE  82          HD12      ILE  82   4.307   3.553   8.290
  609   3HD1  ILE  82          HD13      ILE  82   2.954   2.489   7.903
  610    H    ALA  83           HN       ALA  83   4.325   3.206   2.149
  611    HA   ALA  83           HA       ALA  83   6.818   4.298   2.623
  612   1HB   ALA  83          HB1       ALA  83   6.183   3.308   0.488
  613   2HB   ALA  83          HB2       ALA  83   6.838   4.930   0.257
  614   3HB   ALA  83          HB3       ALA  83   5.097   4.661   0.172
  615    H    ALA  84           HN       ALA  84   3.719   5.879   2.411
  616    HA   ALA  84           HA       ALA  84   5.044   8.455   2.954
  617   1HB   ALA  84          HB1       ALA  84   3.555   7.870   0.705
  618   2HB   ALA  84          HB2       ALA  84   3.937   9.482   1.311
  619   3HB   ALA  84          HB3       ALA  84   2.411   8.713   1.750
  620    H    THR  85           HN       THR  85   4.735   7.570   5.197
  621    HA   THR  85           HA       THR  85   2.163   8.515   6.232
  622    HB   THR  85           HB       THR  85   3.453   5.890   7.005
  623    HG1  THR  85           HG1      THR  85   1.348   6.589   5.338
  624   1HG2  THR  85          HG21      THR  85   1.789   5.527   8.575
  625   2HG2  THR  85          HG22      THR  85   0.778   6.831   7.951
  626   3HG2  THR  85          HG23      THR  85   2.251   7.207   8.846
  627    H    VAL  86           HN       VAL  86   5.551   7.841   6.689
  628    HA   VAL  86           HA       VAL  86   5.862   8.508   9.375
  629    HB   VAL  86           HB       VAL  86   8.200   9.045   8.831
  630   1HG1  VAL  86          HG11      VAL  86   7.697   6.738   9.136
  631   2HG1  VAL  86          HG12      VAL  86   8.768   6.858   7.740
  632   3HG1  VAL  86          HG13      VAL  86   7.039   6.603   7.505
  633   1HG2  VAL  86          HG21      VAL  86   7.084   9.188   6.084
  634   2HG2  VAL  86          HG22      VAL  86   8.711   8.534   6.275
  635   3HG2  VAL  86          HG23      VAL  86   8.341  10.161   6.848
  636    H    HIS  87           HN       HIS  87   6.264  10.407  10.471
  637    HA   HIS  87           HA       HIS  87   5.527  12.861   9.029
  638   1HB   HIS  87          HB2       HIS  87   4.055  12.251  10.904
  639   2HB   HIS  87          HB1       HIS  87   5.436  12.264  11.995
  640    HD1  HIS  87           HD1      HIS  87   6.749  14.798  11.811
  641    HD2  HIS  87           HD2      HIS  87   2.660  14.544  11.111
  642    HE1  HIS  87           HE1      HIS  87   5.863  17.127  12.151
  643    HE2  HIS  87           HE2      HIS  87   3.394  16.959  11.681
  Start of MODEL    9
    1   1H    HIS   1           HT1      HIS   1 -25.612  13.323   1.942
    2   2H    HIS   1           HT2      HIS   1 -26.964  12.756   1.098
    3   3H    HIS   1           HT3      HIS   1 -27.097  14.122   2.087
    4    HA   HIS   1           HA       HIS   1 -27.013  14.677  -0.289
    5   1HB   HIS   1          HB2       HIS   1 -24.678  15.591   1.409
    6   2HB   HIS   1          HB1       HIS   1 -25.285  16.429  -0.014
    7    HD1  HIS   1           HD1      HIS   1 -28.108  16.864   0.323
    8    HD2  HIS   1           HD2      HIS   1 -25.607  16.768   3.640
    9    HE1  HIS   1           HE1      HIS   1 -29.353  18.079   2.139
   10    HE2  HIS   1           HE2      HIS   1 -27.814  18.023   4.133
   11    H    SER   2           HN       SER   2 -26.151  12.105  -0.604
   12    HA   SER   2           HA       SER   2 -23.920  12.473  -2.446
   13   1HB   SER   2          HB2       SER   2 -22.756  10.465  -1.619
   14   2HB   SER   2          HB1       SER   2 -22.860  11.704  -0.368
   15    HG   SER   2           HG       SER   2 -24.900   9.803  -0.500
   16    H    SER   3           HN       SER   3 -23.955  11.101  -4.204
   17    HA   SER   3           HA       SER   3 -26.391   9.476  -4.465
   18   1HB   SER   3          HB2       SER   3 -26.072   9.723  -6.906
   19   2HB   SER   3          HB1       SER   3 -26.204  11.286  -6.099
   20    HG   SER   3           HG       SER   3 -24.481  11.335  -7.538
   21    H    GLY   4           HN       GLY   4 -22.914   9.394  -4.623
   22   1HA   GLY   4          HA2       GLY   4 -22.853   6.561  -4.377
   23   2HA   GLY   4          HA1       GLY   4 -22.448   7.047  -6.016
   24    H    HIS   5           HN       HIS   5 -21.673   8.545  -2.890
   25    HA   HIS   5           HA       HIS   5 -18.822   8.114  -3.488
   26   1HB   HIS   5          HB2       HIS   5 -20.062  10.610  -2.308
   27   2HB   HIS   5          HB1       HIS   5 -18.338  10.334  -2.534
   28    HD1  HIS   5           HD1      HIS   5 -21.395  10.186  -4.814
   29    HD2  HIS   5           HD2      HIS   5 -17.487  11.597  -4.754
   30    HE1  HIS   5           HE1      HIS   5 -21.047  11.295  -7.044
   31    HE2  HIS   5           HE2      HIS   5 -18.651  12.074  -7.014
   32    H    ILE   6           HN       ILE   6 -17.693   9.112  -1.235
   33    HA   ILE   6           HA       ILE   6 -17.979   7.040   0.617
   34    HB   ILE   6           HB       ILE   6 -16.826   9.793   1.086
   35   1HG1  ILE   6          HG12      ILE   6 -15.750   8.659  -0.794
   36   2HG1  ILE   6          HG11      ILE   6 -14.659   8.731   0.584
   37   1HG2  ILE   6          HG21      ILE   6 -15.417   8.267   2.731
   38   2HG2  ILE   6          HG22      ILE   6 -16.903   7.317   2.718
   39   3HG2  ILE   6          HG23      ILE   6 -16.942   9.007   3.218
   40   1HD1  ILE   6          HD11      ILE   6 -15.128   6.520  -0.892
   41   2HD1  ILE   6          HD12      ILE   6 -16.282   6.295   0.423
   42   3HD1  ILE   6          HD13      ILE   6 -14.567   6.502   0.780
   43    H    ASP   7           HN       ASP   7 -19.819   6.655   1.682
   44    HA   ASP   7           HA       ASP   7 -20.937   8.819   3.310
   45   1HB   ASP   7          HB2       ASP   7 -22.310   8.706   1.275
   46   2HB   ASP   7          HB1       ASP   7 -22.587   6.991   1.551
   47    H    ASP   8           HN       ASP   8 -21.950   5.478   2.603
   48    HA   ASP   8           HA       ASP   8 -21.311   4.764   5.378
   49   1HB   ASP   8          HB2       ASP   8 -23.443   3.517   5.544
   50   2HB   ASP   8          HB1       ASP   8 -23.693   5.248   5.339
   51    H    ASP   9           HN       ASP   9 -22.372   3.461   2.232
   52    HA   ASP   9           HA       ASP   9 -20.207   1.655   2.053
   53   1HB   ASP   9          HB2       ASP   9 -21.583  -0.465   2.235
   54   2HB   ASP   9          HB1       ASP   9 -21.246   0.357   3.755
   55    H    ASP  10           HN       ASP  10 -20.712   3.230   0.141
   56    HA   ASP  10           HA       ASP  10 -22.595   2.022  -1.741
   57   1HB   ASP  10          HB2       ASP  10 -21.043   4.608  -1.916
   58   2HB   ASP  10          HB1       ASP  10 -22.204   4.040  -3.112
   59    H    LYS  11           HN       LYS  11 -19.343   3.391  -1.959
   60    HA   LYS  11           HA       LYS  11 -18.699   1.598  -4.157
   61   1HB   LYS  11          HB2       LYS  11 -16.819   2.979  -4.539
   62   2HB   LYS  11          HB1       LYS  11 -18.117   4.062  -4.070
   63   1HG   LYS  11          HG2       LYS  11 -16.372   4.918  -2.871
   64   2HG   LYS  11          HG1       LYS  11 -17.104   3.832  -1.690
   65   1HD   LYS  11          HD2       LYS  11 -15.450   2.121  -2.214
   66   2HD   LYS  11          HD1       LYS  11 -14.741   3.164  -3.447
   67   1HE   LYS  11          HE2       LYS  11 -14.170   4.805  -1.723
   68   2HE   LYS  11          HE1       LYS  11 -14.878   3.759  -0.494
   69   1HZ   LYS  11          HZ1       LYS  11 -12.872   2.502  -2.156
   70   2HZ   LYS  11          HZ2       LYS  11 -13.091   2.430  -0.481
   71   3HZ   LYS  11          HZ3       LYS  11 -12.291   3.750  -1.171
   72    H    HIS  12           HN       HIS  12 -18.339   1.818  -0.812
   73    HA   HIS  12           HA       HIS  12 -15.939   0.399  -0.409
   74   1HB   HIS  12          HB2       HIS  12 -18.372   0.821   1.332
   75   2HB   HIS  12          HB1       HIS  12 -16.911   0.021   1.884
   76    HD1  HIS  12           HD1      HIS  12 -14.657   1.684   1.337
   77    HD2  HIS  12           HD2      HIS  12 -18.370   3.414   2.036
   78    HE1  HIS  12           HE1      HIS  12 -14.176   4.056   2.019
   79    HE2  HIS  12           HE2      HIS  12 -16.439   5.097   2.395
   80    H    MET  13           HN       MET  13 -19.096  -0.533  -1.327
   81    HA   MET  13           HA       MET  13 -19.187  -3.169  -0.351
   82   1HB   MET  13          HB2       MET  13 -20.424  -2.042  -2.869
   83   2HB   MET  13          HB1       MET  13 -20.848  -3.581  -2.133
   84   1HG   MET  13          HG2       MET  13 -21.528  -2.340  -0.088
   85   2HG   MET  13          HG1       MET  13 -21.251  -0.838  -0.969
   86   1HE   MET  13          HE1       MET  13 -23.860  -1.312  -3.934
   87   2HE   MET  13          HE2       MET  13 -22.138  -1.686  -3.859
   88   3HE   MET  13          HE3       MET  13 -22.738  -0.157  -3.216
   89    H    ALA  14           HN       ALA  14 -17.554  -1.769  -3.093
   90    HA   ALA  14           HA       ALA  14 -16.847  -4.403  -4.139
   91   1HB   ALA  14          HB1       ALA  14 -17.576  -2.569  -5.670
   92   2HB   ALA  14          HB2       ALA  14 -16.007  -3.269  -6.067
   93   3HB   ALA  14          HB3       ALA  14 -16.095  -1.707  -5.253
   94    H    GLU  15           HN       GLU  15 -15.617  -2.043  -2.046
   95    HA   GLU  15           HA       GLU  15 -12.830  -2.772  -2.503
   96   1HB   GLU  15          HB2       GLU  15 -14.044  -0.808  -0.550
   97   2HB   GLU  15          HB1       GLU  15 -12.325  -1.035  -0.837
   98   1HG   GLU  15          HG2       GLU  15 -14.308  -0.117  -2.905
   99   2HG   GLU  15          HG1       GLU  15 -13.257   0.944  -1.970
  100    H    ARG  16           HN       ARG  16 -14.931  -4.598  -1.353
  101    HA   ARG  16           HA       ARG  16 -14.137  -4.988   1.391
  102   1HB   ARG  16          HB2       ARG  16 -15.840  -6.702  -0.426
  103   2HB   ARG  16          HB1       ARG  16 -15.629  -6.954   1.301
  104   1HG   ARG  16          HG2       ARG  16 -16.648  -4.767   1.736
  105   2HG   ARG  16          HG1       ARG  16 -16.888  -4.547   0.001
  106   1HD   ARG  16          HD2       ARG  16 -18.307  -6.544  -0.049
  107   2HD   ARG  16          HD1       ARG  16 -18.072  -6.753   1.685
  108    HE   ARG  16           HE       ARG  16 -19.971  -5.090   0.463
  109   1HH1  ARG  16          HH11      ARG  16 -17.671  -5.036   3.088
  110   2HH1  ARG  16          HH12      ARG  16 -18.572  -3.887   4.018
  111   1HH2  ARG  16          HH21      ARG  16 -21.160  -3.585   1.689
  112   2HH2  ARG  16          HH22      ARG  16 -20.555  -3.067   3.227
  113    H    LEU  17           HN       LEU  17 -11.880  -5.291   1.124
  114    HA   LEU  17           HA       LEU  17 -10.728  -7.297  -0.476
  115   1HB   LEU  17          HB2       LEU  17  -8.791  -7.053   1.192
  116   2HB   LEU  17          HB1       LEU  17  -9.242  -5.661   0.227
  117    HG   LEU  17           HG       LEU  17 -10.514  -4.772   2.172
  118   1HD1  LEU  17          HD11      LEU  17  -9.943  -7.387   3.229
  119   2HD1  LEU  17          HD12      LEU  17 -11.038  -6.144   3.834
  120   3HD1  LEU  17          HD13      LEU  17  -9.338  -6.129   4.306
  121   1HD2  LEU  17          HD21      LEU  17  -8.587  -3.649   2.257
  122   2HD2  LEU  17          HD22      LEU  17  -7.622  -5.098   1.976
  123   3HD2  LEU  17          HD23      LEU  17  -8.183  -4.714   3.603
  124    H    SER  18           HN       SER  18  -9.398  -9.134   0.513
  125    HA   SER  18           HA       SER  18 -10.795 -10.438   2.726
  126   1HB   SER  18          HB2       SER  18 -11.776 -11.261   0.580
  127   2HB   SER  18          HB1       SER  18 -10.173 -11.815   0.099
  128    HG   SER  18           HG       SER  18 -11.546 -13.440   1.086
  129    H    GLU  19           HN       GLU  19  -9.430 -12.851   2.624
  130    HA   GLU  19           HA       GLU  19  -7.102 -12.360   4.005
  131   1HB   GLU  19          HB2       GLU  19  -7.866 -14.746   2.334
  132   2HB   GLU  19          HB1       GLU  19  -6.514 -14.732   3.461
  133   1HG   GLU  19          HG2       GLU  19  -8.065 -14.287   5.302
  134   2HG   GLU  19          HG1       GLU  19  -9.413 -14.322   4.167
  135    H    GLU  20           HN       GLU  20  -7.610 -12.322   0.585
  136    HA   GLU  20           HA       GLU  20  -5.073 -12.873  -0.400
  137   1HB   GLU  20          HB2       GLU  20  -7.086 -12.580  -1.798
  138   2HB   GLU  20          HB1       GLU  20  -7.061 -10.856  -1.460
  139   1HG   GLU  20          HG2       GLU  20  -6.139 -11.238  -3.630
  140   2HG   GLU  20          HG1       GLU  20  -4.850 -10.713  -2.550
  141    H    GLU  21           HN       GLU  21  -6.191 -10.134   1.364
  142    HA   GLU  21           HA       GLU  21  -3.597  -8.807   0.936
  143   1HB   GLU  21          HB2       GLU  21  -5.428  -7.560  -0.138
  144   2HB   GLU  21          HB1       GLU  21  -6.277  -7.485   1.399
  145   1HG   GLU  21          HG2       GLU  21  -4.472  -6.149   2.342
  146   2HG   GLU  21          HG1       GLU  21  -3.601  -6.240   0.812
  147    H    ILE  22           HN       ILE  22  -5.932 -10.015   3.137
  148    HA   ILE  22           HA       ILE  22  -5.076  -8.563   5.449
  149    HB   ILE  22           HB       ILE  22  -6.618 -11.157   5.274
  150   1HG1  ILE  22          HG12      ILE  22  -7.751  -9.311   4.115
  151   2HG1  ILE  22          HG11      ILE  22  -8.614  -9.764   5.580
  152   1HG2  ILE  22          HG21      ILE  22  -6.170  -9.246   7.557
  153   2HG2  ILE  22          HG22      ILE  22  -5.708 -10.945   7.465
  154   3HG2  ILE  22          HG23      ILE  22  -7.411 -10.499   7.554
  155   1HD1  ILE  22          HD11      ILE  22  -6.851  -7.363   5.176
  156   2HD1  ILE  22          HD12      ILE  22  -7.530  -7.847   6.730
  157   3HD1  ILE  22          HD13      ILE  22  -8.600  -7.388   5.405
  158    H    GLY  23           HN       GLY  23  -3.998 -11.404   3.797
  159   1HA   GLY  23          HA2       GLY  23  -2.780 -12.890   5.779
  160   2HA   GLY  23          HA1       GLY  23  -2.178 -12.762   4.135
  161    H    GLY  24           HN       GLY  24  -1.045 -10.511   3.760
  162   1HA   GLY  24          HA2       GLY  24   1.176 -10.477   5.590
  163   2HA   GLY  24          HA1       GLY  24   0.998  -9.495   4.144
  164    H    LEU  25           HN       LEU  25  -1.752  -8.741   5.308
  165    HA   LEU  25           HA       LEU  25  -1.104  -6.221   6.260
  166   1HB   LEU  25          HB2       LEU  25  -3.297  -6.625   5.449
  167   2HB   LEU  25          HB1       LEU  25  -3.566  -7.915   6.605
  168    HG   LEU  25           HG       LEU  25  -3.637  -6.291   8.433
  169   1HD1  LEU  25          HD11      LEU  25  -3.852  -3.834   7.658
  170   2HD1  LEU  25          HD12      LEU  25  -2.941  -4.374   6.248
  171   3HD1  LEU  25          HD13      LEU  25  -2.247  -4.535   7.862
  172   1HD2  LEU  25          HD21      LEU  25  -5.626  -6.859   6.822
  173   2HD2  LEU  25          HD22      LEU  25  -5.472  -5.159   6.380
  174   3HD2  LEU  25          HD23      LEU  25  -5.791  -5.609   8.055
  175    H    LYS  26           HN       LYS  26  -1.088  -9.232   7.928
  176    HA   LYS  26           HA       LYS  26  -1.434  -8.197  10.558
  177   1HB   LYS  26          HB2       LYS  26  -1.903 -10.535   9.981
  178   2HB   LYS  26          HB1       LYS  26  -0.196 -10.796   9.648
  179   1HG   LYS  26          HG2       LYS  26  -0.748 -11.682  11.816
  180   2HG   LYS  26          HG1       LYS  26   0.316 -10.287  12.002
  181   1HD   LYS  26          HD2       LYS  26  -1.615  -8.880  12.523
  182   2HD   LYS  26          HD1       LYS  26  -2.686 -10.268  12.322
  183   1HE   LYS  26          HE2       LYS  26  -1.536 -11.406  14.168
  184   2HE   LYS  26          HE1       LYS  26  -0.491 -10.002  14.374
  185   1HZ   LYS  26          HZ1       LYS  26  -2.140  -8.793  15.323
  186   2HZ   LYS  26          HZ2       LYS  26  -2.673 -10.330  15.787
  187   3HZ   LYS  26          HZ3       LYS  26  -3.377  -9.558  14.458
  188    H    GLU  27           HN       GLU  27   1.487  -9.726   9.176
  189    HA   GLU  27           HA       GLU  27   3.122  -8.312  11.113
  190   1HB   GLU  27          HB2       GLU  27   3.471 -10.713  10.630
  191   2HB   GLU  27          HB1       GLU  27   3.915 -10.293   8.981
  192   1HG   GLU  27          HG2       GLU  27   5.885 -10.709  10.321
  193   2HG   GLU  27          HG1       GLU  27   5.824  -9.021   9.814
  194    H    LEU  28           HN       LEU  28   3.564  -8.910   7.651
  195    HA   LEU  28           HA       LEU  28   5.487  -7.112   7.066
  196   1HB   LEU  28          HB2       LEU  28   3.120  -7.816   5.342
  197   2HB   LEU  28          HB1       LEU  28   4.593  -7.062   4.764
  198    HG   LEU  28           HG       LEU  28   4.406  -9.808   6.007
  199   1HD1  LEU  28          HD11      LEU  28   4.713  -8.898   3.154
  200   2HD1  LEU  28          HD12      LEU  28   3.409  -9.864   3.845
  201   3HD1  LEU  28          HD13      LEU  28   5.029 -10.545   3.701
  202   1HD2  LEU  28          HD21      LEU  28   6.665  -8.053   5.293
  203   2HD2  LEU  28          HD22      LEU  28   6.794  -9.731   4.766
  204   3HD2  LEU  28          HD23      LEU  28   6.567  -9.359   6.475
  205    H    PHE  29           HN       PHE  29   2.054  -6.326   6.470
  206    HA   PHE  29           HA       PHE  29   2.507  -3.640   5.881
  207   1HB   PHE  29          HB2       PHE  29   0.045  -5.055   6.866
  208   2HB   PHE  29          HB1       PHE  29   0.050  -3.343   6.448
  209    HD1  PHE  29           HD1      PHE  29  -0.640  -2.803   4.348
  210    HD2  PHE  29           HD2      PHE  29   1.228  -6.563   4.995
  211    HE1  PHE  29           HE1      PHE  29  -0.962  -3.365   1.983
  212    HE2  PHE  29           HE2      PHE  29   0.910  -7.135   2.638
  213    HZ   PHE  29           HZ       PHE  29  -0.187  -5.536   1.114
  214    H    LYS  30           HN       LYS  30   0.983  -4.806   8.877
  215    HA   LYS  30           HA       LYS  30   0.879  -2.493  10.276
  216   1HB   LYS  30          HB2       LYS  30   1.608  -5.219  11.332
  217   2HB   LYS  30          HB1       LYS  30   1.253  -3.845  12.371
  218   1HG   LYS  30          HG2       LYS  30  -0.974  -3.680  11.241
  219   2HG   LYS  30          HG1       LYS  30  -0.602  -5.201  10.431
  220   1HD   LYS  30          HD2       LYS  30  -1.953  -5.635  12.386
  221   2HD   LYS  30          HD1       LYS  30  -0.326  -6.270  12.643
  222   1HE   LYS  30          HE2       LYS  30  -1.177  -5.115  14.630
  223   2HE   LYS  30          HE1       LYS  30   0.250  -4.316  13.969
  224   1HZ   LYS  30          HZ1       LYS  30  -1.129  -2.546  14.322
  225   2HZ   LYS  30          HZ2       LYS  30  -2.543  -3.414  13.991
  226   3HZ   LYS  30          HZ3       LYS  30  -1.541  -2.914  12.723
  227    H    MET  31           HN       MET  31   3.805  -4.287   9.588
  228    HA   MET  31           HA       MET  31   5.372  -2.602  11.367
  229   1HB   MET  31          HB2       MET  31   5.952  -4.957  11.264
  230   2HB   MET  31          HB1       MET  31   6.203  -4.846   9.526
  231   1HG   MET  31          HG2       MET  31   8.077  -3.341   9.873
  232   2HG   MET  31          HG1       MET  31   7.811  -3.391  11.614
  233   1HE   MET  31          HE1       MET  31   8.074  -7.211  12.173
  234   2HE   MET  31          HE2       MET  31   7.241  -5.711  12.579
  235   3HE   MET  31          HE3       MET  31   8.899  -5.973  13.121
  236    H    ILE  32           HN       ILE  32   4.720  -2.924   7.926
  237    HA   ILE  32           HA       ILE  32   6.789  -0.959   7.289
  238    HB   ILE  32           HB       ILE  32   4.935  -2.505   5.469
  239   1HG1  ILE  32          HG12      ILE  32   6.639  -3.907   6.535
  240   2HG1  ILE  32          HG11      ILE  32   6.973  -3.720   4.817
  241   1HG2  ILE  32          HG21      ILE  32   7.323  -0.947   4.555
  242   2HG2  ILE  32          HG22      ILE  32   5.753  -0.166   4.740
  243   3HG2  ILE  32          HG23      ILE  32   5.938  -1.518   3.623
  244   1HD1  ILE  32          HD11      ILE  32   8.333  -2.221   7.045
  245   2HD1  ILE  32          HD12      ILE  32   8.677  -2.055   5.323
  246   3HD1  ILE  32          HD13      ILE  32   9.005  -3.581   6.146
  247    H    ASP  33           HN       ASP  33   3.402  -1.444   6.361
  248    HA   ASP  33           HA       ASP  33   2.806   1.098   5.523
  249   1HB   ASP  33          HB2       ASP  33   1.300  -0.861   5.320
  250   2HB   ASP  33          HB1       ASP  33   0.984  -0.783   7.049
  251    H    THR  34           HN       THR  34   3.481   2.842   6.640
  252    HA   THR  34           HA       THR  34   3.642   3.066   9.428
  253    HB   THR  34           HB       THR  34   3.315   5.264   7.370
  254    HG1  THR  34           HG1      THR  34   5.188   4.487   6.802
  255   1HG2  THR  34          HG21      THR  34   3.608   5.391  10.229
  256   2HG2  THR  34          HG22      THR  34   3.332   6.685   9.063
  257   3HG2  THR  34          HG23      THR  34   4.975   6.146   9.410
  258    H    ASP  35           HN       ASP  35   1.038   3.071   7.321
  259    HA   ASP  35           HA       ASP  35  -0.729   4.457   9.177
  260   1HB   ASP  35          HB2       ASP  35  -1.180   3.535   6.348
  261   2HB   ASP  35          HB1       ASP  35  -2.364   4.379   7.334
  262    H    ASN  36           HN       ASN  36   0.141   1.270   8.200
  263    HA   ASN  36           HA       ASN  36  -0.810  -0.770   8.618
  264   1HB   ASN  36          HB2       ASN  36  -2.020   0.691  10.983
  265   2HB   ASN  36          HB1       ASN  36  -1.807  -1.051  10.833
  266   1HD2  ASN  36          HD21      ASN  36  -0.207  -1.770  12.010
  267   2HD2  ASN  36          HD22      ASN  36   1.283  -0.955  12.325
  268    H    SER  37           HN       SER  37  -2.341   1.468   7.185
  269    HA   SER  37           HA       SER  37  -5.116   1.034   7.670
  270   1HB   SER  37          HB2       SER  37  -3.818   2.049   5.125
  271   2HB   SER  37          HB1       SER  37  -5.483   2.310   5.641
  272    HG   SER  37           HG       SER  37  -4.789   3.672   7.214
  273    H    GLY  38           HN       GLY  38  -2.664  -0.679   6.173
  274   1HA   GLY  38          HA2       GLY  38  -2.976  -2.965   5.505
  275   2HA   GLY  38          HA1       GLY  38  -4.627  -2.572   5.042
  276    H    THR  39           HN       THR  39  -2.680  -0.113   4.055
  277    HA   THR  39           HA       THR  39  -1.976  -1.334   1.494
  278    HB   THR  39           HB       THR  39  -2.916   0.612   0.282
  279    HG1  THR  39           HG1      THR  39  -3.763   2.230   1.314
  280   1HG2  THR  39          HG21      THR  39  -5.360  -0.114   1.630
  281   2HG2  THR  39          HG22      THR  39  -4.364  -1.525   1.274
  282   3HG2  THR  39          HG23      THR  39  -4.842  -0.433  -0.025
  283    H    ILE  40           HN       ILE  40  -0.086  -0.590   0.671
  284    HA   ILE  40           HA       ILE  40   1.281   1.458   2.269
  285    HB   ILE  40           HB       ILE  40   2.316  -0.792   0.555
  286   1HG1  ILE  40          HG12      ILE  40   2.999   0.001   3.388
  287   2HG1  ILE  40          HG11      ILE  40   1.715  -1.139   2.988
  288   1HG2  ILE  40          HG21      ILE  40   3.858   0.735  -0.137
  289   2HG2  ILE  40          HG22      ILE  40   4.606   0.252   1.385
  290   3HG2  ILE  40          HG23      ILE  40   3.669   1.743   1.297
  291   1HD1  ILE  40          HD11      ILE  40   4.663  -1.447   2.507
  292   2HD1  ILE  40          HD12      ILE  40   3.445  -2.526   1.826
  293   3HD1  ILE  40          HD13      ILE  40   3.630  -2.398   3.575
  294    H    THR  41           HN       THR  41   2.032   3.304   1.374
  295    HA   THR  41           HA       THR  41   1.768   3.638  -1.536
  296    HB   THR  41           HB       THR  41   0.989   5.735   0.490
  297    HG1  THR  41           HG1      THR  41  -0.558   3.792  -0.845
  298   1HG2  THR  41          HG21      THR  41  -0.315   6.605  -1.507
  299   2HG2  THR  41          HG22      THR  41   0.720   5.564  -2.484
  300   3HG2  THR  41          HG23      THR  41   1.431   6.849  -1.507
  301    H    PHE  42           HN       PHE  42   2.949   5.485  -2.360
  302    HA   PHE  42           HA       PHE  42   5.628   5.494  -1.889
  303   1HB   PHE  42          HB2       PHE  42   4.745   6.359  -3.922
  304   2HB   PHE  42          HB1       PHE  42   3.793   7.571  -3.078
  305    HD1  PHE  42           HD1      PHE  42   7.338   6.553  -3.605
  306    HD2  PHE  42           HD2      PHE  42   4.568   9.717  -2.982
  307    HE1  PHE  42           HE1      PHE  42   9.140   8.190  -3.927
  308    HE2  PHE  42           HE2      PHE  42   6.364  11.359  -3.302
  309    HZ   PHE  42           HZ       PHE  42   8.660  10.600  -3.779
  310    H    ASP  43           HN       ASP  43   3.168   7.435  -0.310
  311    HA   ASP  43           HA       ASP  43   4.888   9.343   0.872
  312   1HB   ASP  43          HB2       ASP  43   2.446   9.663   0.662
  313   2HB   ASP  43          HB1       ASP  43   2.185   8.370   1.828
  314    H    GLU  44           HN       GLU  44   3.263   6.530   2.308
  315    HA   GLU  44           HA       GLU  44   4.852   6.613   4.690
  316   1HB   GLU  44          HB2       GLU  44   3.677   4.544   5.260
  317   2HB   GLU  44          HB1       GLU  44   2.543   5.753   4.671
  318   1HG   GLU  44          HG2       GLU  44   2.522   4.696   2.492
  319   2HG   GLU  44          HG1       GLU  44   3.678   3.490   3.052
  320    H    LEU  45           HN       LEU  45   5.217   5.336   1.567
  321    HA   LEU  45           HA       LEU  45   6.665   3.023   1.939
  322   1HB   LEU  45          HB2       LEU  45   5.866   3.862  -0.246
  323   2HB   LEU  45          HB1       LEU  45   7.142   5.067  -0.221
  324    HG   LEU  45           HG       LEU  45   8.816   3.218  -0.141
  325   1HD1  LEU  45          HD11      LEU  45   6.335   1.635  -0.060
  326   2HD1  LEU  45          HD12      LEU  45   7.935   1.280   0.592
  327   3HD1  LEU  45          HD13      LEU  45   7.606   1.029  -1.123
  328   1HD2  LEU  45          HD21      LEU  45   6.917   3.330  -2.473
  329   2HD2  LEU  45          HD22      LEU  45   8.485   2.524  -2.513
  330   3HD2  LEU  45          HD23      LEU  45   8.395   4.264  -2.243
  331    H    LYS  46           HN       LYS  46   8.105   6.162   1.121
  332    HA   LYS  46           HA       LYS  46  10.736   5.518   1.686
  333   1HB   LYS  46          HB2       LYS  46  11.164   7.907   1.751
  334   2HB   LYS  46          HB1       LYS  46  10.031   7.530   0.460
  335   1HG   LYS  46          HG2       LYS  46   8.178   8.262   1.881
  336   2HG   LYS  46          HG1       LYS  46   9.329   8.653   3.162
  337   1HD   LYS  46          HD2       LYS  46  10.424  10.262   1.638
  338   2HD   LYS  46          HD1       LYS  46   9.203   9.901   0.415
  339   1HE   LYS  46          HE2       LYS  46   8.664  11.046   3.153
  340   2HE   LYS  46          HE1       LYS  46   8.697  11.964   1.648
  341   1HZ   LYS  46          HZ1       LYS  46   6.811   9.762   2.293
  342   2HZ   LYS  46          HZ2       LYS  46   6.843  10.632   0.844
  343   3HZ   LYS  46          HZ3       LYS  46   6.440  11.412   2.290
  344    H    ASP  47           HN       ASP  47   8.250   6.752   3.855
  345    HA   ASP  47           HA       ASP  47   9.660   7.516   6.053
  346   1HB   ASP  47          HB2       ASP  47   7.103   5.907   6.035
  347   2HB   ASP  47          HB1       ASP  47   7.720   6.818   7.409
  348    H    GLY  48           HN       GLY  48   9.689   4.378   4.735
  349   1HA   GLY  48          HA2       GLY  48  10.292   3.041   7.240
  350   2HA   GLY  48          HA1       GLY  48  10.229   2.299   5.651
  351    H    LEU  49           HN       LEU  49  12.056   3.338   4.150
  352    HA   LEU  49           HA       LEU  49  14.536   2.656   5.490
  353   1HB   LEU  49          HB2       LEU  49  14.013   3.414   2.613
  354   2HB   LEU  49          HB1       LEU  49  15.522   2.783   3.244
  355    HG   LEU  49           HG       LEU  49  12.900   1.284   3.176
  356   1HD1  LEU  49          HD11      LEU  49  14.431   1.824   1.033
  357   2HD1  LEU  49          HD12      LEU  49  13.513   0.330   1.229
  358   3HD1  LEU  49          HD13      LEU  49  15.232   0.368   1.624
  359   1HD2  LEU  49          HD21      LEU  49  14.016   0.340   4.960
  360   2HD2  LEU  49          HD22      LEU  49  15.608   0.651   4.267
  361   3HD2  LEU  49          HD23      LEU  49  14.600  -0.641   3.616
  362    H    LYS  50           HN       LYS  50  12.835   5.454   4.538
  363    HA   LYS  50           HA       LYS  50  15.151   7.170   4.547
  364   1HB   LYS  50          HB2       LYS  50  12.221   7.700   4.127
  365   2HB   LYS  50          HB1       LYS  50  13.403   8.996   4.241
  366   1HG   LYS  50          HG2       LYS  50  12.880   8.425   1.920
  367   2HG   LYS  50          HG1       LYS  50  14.578   8.142   2.303
  368   1HD   LYS  50          HD2       LYS  50  14.081   5.744   2.608
  369   2HD   LYS  50          HD1       LYS  50  12.404   6.052   2.155
  370   1HE   LYS  50          HE2       LYS  50  13.123   6.812  -0.040
  371   2HE   LYS  50          HE1       LYS  50  14.809   6.566   0.410
  372   1HZ   LYS  50          HZ1       LYS  50  12.733   4.569  -0.171
  373   2HZ   LYS  50          HZ2       LYS  50  14.002   4.160   0.869
  374   3HZ   LYS  50          HZ3       LYS  50  14.332   4.644  -0.718
  375    H    ARG  51           HN       ARG  51  12.972   5.930   6.798
  376    HA   ARG  51           HA       ARG  51  12.473   7.849   8.652
  377   1HB   ARG  51          HB2       ARG  51  11.755   5.544   8.927
  378   2HB   ARG  51          HB1       ARG  51  13.415   5.019   9.153
  379   1HG   ARG  51          HG2       ARG  51  12.195   7.010  11.021
  380   2HG   ARG  51          HG1       ARG  51  11.869   5.286  11.205
  381   1HD   ARG  51          HD2       ARG  51  14.284   4.859  11.344
  382   2HD   ARG  51          HD1       ARG  51  14.592   6.587  11.193
  383    HE   ARG  51           HE       ARG  51  13.942   5.208  13.560
  384   1HH1  ARG  51          HH11      ARG  51  13.242   8.183  11.885
  385   2HH1  ARG  51          HH12      ARG  51  12.888   9.063  13.333
  386   1HH2  ARG  51          HH21      ARG  51  13.477   6.359  15.469
  387   2HH2  ARG  51          HH22      ARG  51  13.022   8.027  15.370
  388    H    VAL  52           HN       VAL  52  15.566   6.309   8.008
  389    HA   VAL  52           HA       VAL  52  16.824   7.915  10.115
  390    HB   VAL  52           HB       VAL  52  18.814   6.510   9.768
  391   1HG1  VAL  52          HG11      VAL  52  16.348   5.747  10.895
  392   2HG1  VAL  52          HG12      VAL  52  17.961   5.175  11.321
  393   3HG1  VAL  52          HG13      VAL  52  17.013   4.316  10.106
  394   1HG2  VAL  52          HG21      VAL  52  17.669   5.946   7.308
  395   2HG2  VAL  52          HG22      VAL  52  17.513   4.439   8.212
  396   3HG2  VAL  52          HG23      VAL  52  19.099   5.180   8.001
  397    H    GLY  53           HN       GLY  53  16.511   7.662   6.689
  398   1HA   GLY  53          HA2       GLY  53  17.349   8.931   4.966
  399   2HA   GLY  53          HA1       GLY  53  17.662  10.163   6.180
  400    H    SER  54           HN       SER  54  19.027   6.918   5.691
  401    HA   SER  54           HA       SER  54  21.668   7.858   6.246
  402   1HB   SER  54          HB2       SER  54  20.970   5.608   6.903
  403   2HB   SER  54          HB1       SER  54  20.724   5.176   5.211
  404    HG   SER  54           HG       SER  54  22.733   4.454   5.719
  405    H    GLU  55           HN       GLU  55  20.942   5.779   3.486
  406    HA   GLU  55           HA       GLU  55  22.485   7.636   1.799
  407   1HB   GLU  55          HB2       GLU  55  23.562   5.444   2.297
  408   2HB   GLU  55          HB1       GLU  55  22.219   4.640   1.502
  409   1HG   GLU  55          HG2       GLU  55  23.886   6.666   0.061
  410   2HG   GLU  55          HG1       GLU  55  24.399   4.986   0.201
  411    H    LEU  56           HN       LEU  56  19.442   6.125   2.210
  412    HA   LEU  56           HA       LEU  56  18.495   5.714  -0.327
  413   1HB   LEU  56          HB2       LEU  56  17.070   6.895   2.042
  414   2HB   LEU  56          HB1       LEU  56  16.262   6.433   0.552
  415    HG   LEU  56           HG       LEU  56  15.988   4.725   2.256
  416   1HD1  LEU  56          HD11      LEU  56  16.354   4.185  -0.227
  417   2HD1  LEU  56          HD12      LEU  56  16.439   2.867   0.942
  418   3HD1  LEU  56          HD13      LEU  56  17.922   3.567   0.293
  419   1HD2  LEU  56          HD21      LEU  56  18.052   5.191   3.519
  420   2HD2  LEU  56          HD22      LEU  56  18.978   4.410   2.238
  421   3HD2  LEU  56          HD23      LEU  56  17.817   3.476   3.182
  422    H    MET  57           HN       MET  57  17.408   6.884  -1.840
  423    HA   MET  57           HA       MET  57  17.688   9.802  -1.681
  424   1HB   MET  57          HB2       MET  57  19.380   8.740  -3.209
  425   2HB   MET  57          HB1       MET  57  18.046   8.147  -4.187
  426   1HG   MET  57          HG2       MET  57  17.344  10.434  -4.639
  427   2HG   MET  57          HG1       MET  57  18.658  11.043  -3.636
  428   1HE   MET  57          HE1       MET  57  21.257  10.738  -4.267
  429   2HE   MET  57          HE2       MET  57  21.800   9.856  -5.694
  430   3HE   MET  57          HE3       MET  57  20.986   9.000  -4.385
  431    H    GLU  58           HN       GLU  58  15.908  10.907  -2.152
  432    HA   GLU  58           HA       GLU  58  13.385   9.809  -2.184
  433   1HB   GLU  58          HB2       GLU  58  13.864  12.170  -1.703
  434   2HB   GLU  58          HB1       GLU  58  14.252  12.440  -3.396
  435   1HG   GLU  58          HG2       GLU  58  11.940  11.877  -3.999
  436   2HG   GLU  58          HG1       GLU  58  11.563  11.662  -2.290
  437    H    SER  59           HN       SER  59  15.621   9.665  -4.662
  438    HA   SER  59           HA       SER  59  13.735   9.697  -6.860
  439   1HB   SER  59          HB2       SER  59  15.694   9.203  -8.265
  440   2HB   SER  59          HB1       SER  59  15.996  10.576  -7.200
  441    HG   SER  59           HG       SER  59  17.367   8.306  -7.395
  442    H    GLU  60           HN       GLU  60  15.645   7.267  -5.113
  443    HA   GLU  60           HA       GLU  60  14.972   5.089  -6.763
  444   1HB   GLU  60          HB2       GLU  60  16.845   5.026  -5.181
  445   2HB   GLU  60          HB1       GLU  60  15.719   5.107  -3.833
  446   1HG   GLU  60          HG2       GLU  60  14.779   2.951  -4.479
  447   2HG   GLU  60          HG1       GLU  60  15.898   2.869  -5.839
  448    H    ILE  61           HN       ILE  61  13.236   6.734  -4.263
  449    HA   ILE  61           HA       ILE  61  11.454   4.698  -3.495
  450    HB   ILE  61           HB       ILE  61  10.577   7.560  -3.611
  451   1HG1  ILE  61          HG12      ILE  61  12.511   6.400  -1.589
  452   2HG1  ILE  61          HG11      ILE  61  12.930   7.575  -2.832
  453   1HG2  ILE  61          HG21      ILE  61   9.655   6.899  -1.363
  454   2HG2  ILE  61          HG22      ILE  61  10.172   5.251  -1.720
  455   3HG2  ILE  61          HG23      ILE  61   8.970   6.039  -2.742
  456   1HD1  ILE  61          HD11      ILE  61  12.546   8.465  -0.500
  457   2HD1  ILE  61          HD12      ILE  61  10.837   8.112  -0.752
  458   3HD1  ILE  61          HD13      ILE  61  11.663   9.264  -1.801
  459    H    LYS  62           HN       LYS  62  11.599   6.675  -6.330
  460    HA   LYS  62           HA       LYS  62   8.872   6.428  -7.133
  461   1HB   LYS  62          HB2       LYS  62  11.199   6.816  -9.004
  462   2HB   LYS  62          HB1       LYS  62   9.554   7.426  -9.161
  463   1HG   LYS  62          HG2       LYS  62  11.470   8.273  -7.021
  464   2HG   LYS  62          HG1       LYS  62  11.240   9.147  -8.542
  465   1HD   LYS  62          HD2       LYS  62   8.878   9.480  -7.989
  466   2HD   LYS  62          HD1       LYS  62   9.100   8.590  -6.482
  467   1HE   LYS  62          HE2       LYS  62   9.125  11.000  -6.096
  468   2HE   LYS  62          HE1       LYS  62  10.684  10.273  -5.709
  469   1HZ   LYS  62          HZ1       LYS  62  11.232  10.938  -8.144
  470   2HZ   LYS  62          HZ2       LYS  62  11.307  12.099  -6.917
  471   3HZ   LYS  62          HZ3       LYS  62   9.963  12.039  -7.942
  472    H    ASP  63           HN       ASP  63  11.812   4.994  -8.522
  473    HA   ASP  63           HA       ASP  63  10.498   3.012 -10.011
  474   1HB   ASP  63          HB2       ASP  63  12.854   3.699 -10.387
  475   2HB   ASP  63          HB1       ASP  63  13.302   2.960  -8.854
  476    H    LEU  64           HN       LEU  64  11.049   3.406  -6.690
  477    HA   LEU  64           HA       LEU  64  10.984   0.602  -5.988
  478   1HB   LEU  64          HB2       LEU  64  12.171   2.315  -4.631
  479   2HB   LEU  64          HB1       LEU  64  10.619   3.029  -4.233
  480    HG   LEU  64           HG       LEU  64   9.954   0.943  -3.095
  481   1HD1  LEU  64          HD11      LEU  64  11.990  -0.212  -4.553
  482   2HD1  LEU  64          HD12      LEU  64  11.097  -0.965  -3.232
  483   3HD1  LEU  64          HD13      LEU  64  12.633  -0.161  -2.912
  484   1HD2  LEU  64          HD21      LEU  64  10.707   2.125  -1.366
  485   2HD2  LEU  64          HD22      LEU  64  12.081   2.740  -2.286
  486   3HD2  LEU  64          HD23      LEU  64  12.187   1.173  -1.482
  487    H    MET  65           HN       MET  65   8.703   3.329  -5.795
  488    HA   MET  65           HA       MET  65   6.591   1.587  -4.836
  489   1HB   MET  65          HB2       MET  65   7.069   4.078  -4.192
  490   2HB   MET  65          HB1       MET  65   6.165   4.435  -5.655
  491   1HG   MET  65          HG2       MET  65   5.149   2.800  -3.344
  492   2HG   MET  65          HG1       MET  65   4.780   4.499  -3.630
  493   1HE   MET  65          HE1       MET  65   2.087   1.835  -3.826
  494   2HE   MET  65          HE2       MET  65   1.458   3.427  -4.248
  495   3HE   MET  65          HE3       MET  65   2.674   3.268  -2.982
  496    H    ASP  66           HN       ASP  66   6.999   3.774  -7.628
  497    HA   ASP  66           HA       ASP  66   4.705   3.166  -9.008
  498   1HB   ASP  66          HB2       ASP  66   6.282   4.947  -9.655
  499   2HB   ASP  66          HB1       ASP  66   7.423   3.727 -10.212
  500    H    ALA  67           HN       ALA  67   7.766   1.389  -9.030
  501    HA   ALA  67           HA       ALA  67   6.789  -0.519 -10.969
  502   1HB   ALA  67          HB1       ALA  67   8.941  -0.958 -11.283
  503   2HB   ALA  67          HB2       ALA  67   9.153  -1.395  -9.587
  504   3HB   ALA  67          HB3       ALA  67   9.314   0.287 -10.090
  505    H    ALA  68           HN       ALA  68   6.664  -0.145  -7.582
  506    HA   ALA  68           HA       ALA  68   6.669  -2.826  -6.734
  507   1HB   ALA  68          HB1       ALA  68   5.499  -1.997  -4.732
  508   2HB   ALA  68          HB2       ALA  68   5.263  -0.444  -5.534
  509   3HB   ALA  68          HB3       ALA  68   6.892  -1.003  -5.157
  510    H    ASP  69           HN       ASP  69   3.882  -0.677  -7.365
  511    HA   ASP  69           HA       ASP  69   2.254  -3.096  -7.745
  512   1HB   ASP  69          HB2       ASP  69   0.323  -1.854  -7.085
  513   2HB   ASP  69          HB1       ASP  69   1.577  -1.527  -5.896
  514    H    ILE  70           HN       ILE  70   1.472  -3.512  -9.677
  515    HA   ILE  70           HA       ILE  70   2.044  -1.732 -11.879
  516    HB   ILE  70           HB       ILE  70   2.418  -4.175 -12.048
  517   1HG1  ILE  70          HG12      ILE  70   0.342  -3.118 -13.981
  518   2HG1  ILE  70          HG11      ILE  70   2.067  -2.778 -14.064
  519   1HG2  ILE  70          HG21      ILE  70  -0.061  -4.384 -10.881
  520   2HG2  ILE  70          HG22      ILE  70   0.855  -5.705 -11.607
  521   3HG2  ILE  70          HG23      ILE  70  -0.366  -4.853 -12.553
  522   1HD1  ILE  70          HD11      ILE  70   2.314  -5.350 -14.180
  523   2HD1  ILE  70          HD12      ILE  70   1.802  -4.460 -15.613
  524   3HD1  ILE  70          HD13      ILE  70   0.611  -5.317 -14.636
  525    H    ASP  71           HN       ASP  71  -0.514  -2.331  -9.779
  526    HA   ASP  71           HA       ASP  71  -2.778  -1.965 -11.377
  527   1HB   ASP  71          HB2       ASP  71  -2.818  -2.709  -9.018
  528   2HB   ASP  71          HB1       ASP  71  -2.330  -1.097  -8.511
  529    H    LYS  72           HN       LYS  72  -0.319   0.227 -10.410
  530    HA   LYS  72           HA       LYS  72   0.028   2.454 -10.747
  531   1HB   LYS  72          HB2       LYS  72  -2.214   2.234 -12.764
  532   2HB   LYS  72          HB1       LYS  72  -0.961   3.467 -12.710
  533   1HG   LYS  72          HG2       LYS  72  -0.489   0.539 -13.218
  534   2HG   LYS  72          HG1       LYS  72  -0.579   1.789 -14.454
  535   1HD   LYS  72          HD2       LYS  72   1.356   2.911 -13.476
  536   2HD   LYS  72          HD1       LYS  72   1.431   1.687 -12.206
  537   1HE   LYS  72          HE2       LYS  72   3.069   1.248 -13.967
  538   2HE   LYS  72          HE1       LYS  72   1.863  -0.035 -13.874
  539   1HZ   LYS  72          HZ1       LYS  72   2.109   2.097 -15.910
  540   2HZ   LYS  72          HZ2       LYS  72   0.682   1.209 -15.715
  541   3HZ   LYS  72          HZ3       LYS  72   2.117   0.420 -16.139
  542    H    SER  73           HN       SER  73  -2.272   1.309  -9.061
  543    HA   SER  73           HA       SER  73  -4.212   3.430  -8.961
  544   1HB   SER  73          HB2       SER  73  -5.104   2.237  -7.003
  545   2HB   SER  73          HB1       SER  73  -4.827   1.135  -8.352
  546    HG   SER  73           HG       SER  73  -3.691   1.177  -5.874
  547    H    GLY  74           HN       GLY  74  -1.081   3.416  -8.059
  548   1HA   GLY  74          HA2       GLY  74   0.096   5.007  -6.849
  549   2HA   GLY  74          HA1       GLY  74  -1.436   5.695  -6.331
  550    H    THR  75           HN       THR  75  -1.759   2.541  -5.679
  551    HA   THR  75           HA       THR  75  -0.330   2.572  -3.127
  552    HB   THR  75           HB       THR  75  -2.378   1.799  -1.944
  553    HG1  THR  75           HG1      THR  75  -4.068   2.782  -3.868
  554   1HG2  THR  75          HG21      THR  75  -2.004   4.487  -2.974
  555   2HG2  THR  75          HG22      THR  75  -2.427   3.938  -1.353
  556   3HG2  THR  75          HG23      THR  75  -3.683   4.124  -2.576
  557    H    ILE  76           HN       ILE  76   0.509   0.622  -2.622
  558    HA   ILE  76           HA       ILE  76  -0.051  -1.575  -4.456
  559    HB   ILE  76           HB       ILE  76   2.304  -0.940  -4.045
  560   1HG1  ILE  76          HG12      ILE  76   1.581  -3.704  -3.038
  561   2HG1  ILE  76          HG11      ILE  76   1.692  -3.238  -4.733
  562   1HG2  ILE  76          HG21      ILE  76   1.613  -0.617  -1.465
  563   2HG2  ILE  76          HG22      ILE  76   3.273  -0.862  -2.007
  564   3HG2  ILE  76          HG23      ILE  76   2.337  -2.224  -1.392
  565   1HD1  ILE  76          HD11      ILE  76   3.729  -4.193  -3.033
  566   2HD1  ILE  76          HD12      ILE  76   4.122  -2.525  -3.453
  567   3HD1  ILE  76          HD13      ILE  76   3.845  -3.714  -4.726
  568    H    ASP  77           HN       ASP  77  -0.814  -3.537  -3.879
  569    HA   ASP  77           HA       ASP  77  -1.826  -3.802  -1.125
  570   1HB   ASP  77          HB2       ASP  77  -2.858  -5.051  -3.683
  571   2HB   ASP  77          HB1       ASP  77  -3.517  -5.344  -2.076
  572    H    TYR  78           HN       TYR  78  -2.054  -6.150  -0.430
  573    HA   TYR  78           HA       TYR  78   0.513  -7.385  -0.601
  574   1HB   TYR  78          HB2       TYR  78  -0.922  -7.436   1.440
  575   2HB   TYR  78          HB1       TYR  78  -2.029  -8.508   0.589
  576    HD1  TYR  78           HD1      TYR  78  -1.860 -10.700   1.279
  577    HD2  TYR  78           HD2      TYR  78   1.678  -8.349   1.069
  578    HE1  TYR  78           HE1      TYR  78  -0.534 -12.639   2.007
  579    HE2  TYR  78           HE2      TYR  78   3.013 -10.279   1.797
  580    HH   TYR  78           HH       TYR  78   2.263 -13.215   1.598
  581    H    GLY  79           HN       GLY  79  -2.602  -7.932  -2.089
  582   1HA   GLY  79          HA2       GLY  79  -1.993 -10.536  -3.095
  583   2HA   GLY  79          HA1       GLY  79  -3.337  -9.520  -3.588
  584    H    GLU  80           HN       GLU  80  -1.427  -7.302  -4.263
  585    HA   GLU  80           HA       GLU  80  -0.866  -8.239  -6.956
  586   1HB   GLU  80          HB2       GLU  80  -2.004  -6.077  -6.593
  587   2HB   GLU  80          HB1       GLU  80  -0.578  -5.480  -5.756
  588   1HG   GLU  80          HG2       GLU  80   0.714  -5.526  -7.738
  589   2HG   GLU  80          HG1       GLU  80  -0.527  -6.431  -8.604
  590    H    PHE  81           HN       PHE  81   0.868  -6.892  -4.192
  591    HA   PHE  81           HA       PHE  81   3.413  -6.714  -5.308
  592   1HB   PHE  81          HB2       PHE  81   2.829  -5.749  -3.133
  593   2HB   PHE  81          HB1       PHE  81   2.642  -7.362  -2.454
  594    HD1  PHE  81           HD1      PHE  81   4.314  -7.788  -0.950
  595    HD2  PHE  81           HD2      PHE  81   5.272  -5.768  -4.571
  596    HE1  PHE  81           HE1      PHE  81   6.694  -7.799  -0.323
  597    HE2  PHE  81           HE2      PHE  81   7.654  -5.777  -3.952
  598    HZ   PHE  81           HZ       PHE  81   8.367  -6.793  -1.825
  599    H    ILE  82           HN       ILE  82   1.813  -9.449  -3.720
  600    HA   ILE  82           HA       ILE  82   4.043 -11.184  -3.755
  601    HB   ILE  82           HB       ILE  82   2.109 -11.573  -2.304
  602   1HG1  ILE  82          HG12      ILE  82   2.555 -13.821  -4.283
  603   2HG1  ILE  82          HG11      ILE  82   3.593 -13.453  -2.910
  604   1HG2  ILE  82          HG21      ILE  82   0.044 -12.561  -3.291
  605   2HG2  ILE  82          HG22      ILE  82   0.664 -12.139  -4.887
  606   3HG2  ILE  82          HG23      ILE  82   0.308 -10.870  -3.715
  607   1HD1  ILE  82          HD11      ILE  82   0.703 -14.263  -2.711
  608   2HD1  ILE  82          HD12      ILE  82   1.825 -14.013  -1.374
  609   3HD1  ILE  82          HD13      ILE  82   2.080 -15.345  -2.501
  610    H    ALA  83           HN       ALA  83   1.599 -10.406  -6.129
  611    HA   ALA  83           HA       ALA  83   1.886 -12.610  -7.834
  612   1HB   ALA  83          HB1       ALA  83   1.106  -9.764  -8.433
  613   2HB   ALA  83          HB2       ALA  83   0.035 -11.129  -8.118
  614   3HB   ALA  83          HB3       ALA  83   0.995 -11.085  -9.597
  615    H    ALA  84           HN       ALA  84   3.839  -9.736  -7.434
  616    HA   ALA  84           HA       ALA  84   5.686 -10.786  -9.475
  617   1HB   ALA  84          HB1       ALA  84   5.361  -8.926 -10.650
  618   2HB   ALA  84          HB2       ALA  84   6.161  -8.047  -9.347
  619   3HB   ALA  84          HB3       ALA  84   4.405  -8.202  -9.357
  620    H    THR  85           HN       THR  85   7.283 -11.651  -8.289
  621    HA   THR  85           HA       THR  85   8.754  -9.879  -6.495
  622    HB   THR  85           HB       THR  85   7.270 -11.093  -5.000
  623    HG1  THR  85           HG1      THR  85   9.855 -11.048  -4.810
  624   1HG2  THR  85          HG21      THR  85   7.572 -13.565  -4.734
  625   2HG2  THR  85          HG22      THR  85   8.380 -13.559  -6.302
  626   3HG2  THR  85          HG23      THR  85   6.693 -13.058  -6.177
  627    H    VAL  86           HN       VAL  86   8.577 -12.833  -8.371
  628    HA   VAL  86           HA       VAL  86  10.145 -14.107  -9.416
  629    HB   VAL  86           HB       VAL  86  11.867 -11.632  -9.216
  630   1HG1  VAL  86          HG11      VAL  86  12.219 -13.209 -11.591
  631   2HG1  VAL  86          HG12      VAL  86  12.470 -14.202 -10.155
  632   3HG1  VAL  86          HG13      VAL  86  13.409 -12.726 -10.382
  633   1HG2  VAL  86          HG21      VAL  86  10.687 -12.020 -11.789
  634   2HG2  VAL  86          HG22      VAL  86  10.535 -10.646 -10.693
  635   3HG2  VAL  86          HG23      VAL  86   9.418 -12.005 -10.564
  636    H    HIS  87           HN       HIS  87  10.529 -15.631  -7.824
  637    HA   HIS  87           HA       HIS  87  13.016 -15.236  -6.301
  638   1HB   HIS  87          HB2       HIS  87  11.136 -15.084  -4.753
  639   2HB   HIS  87          HB1       HIS  87  10.502 -16.619  -5.339
  640    HD1  HIS  87           HD1      HIS  87  13.866 -15.490  -3.931
  641    HD2  HIS  87           HD2      HIS  87  11.098 -18.570  -3.583
  642    HE1  HIS  87           HE1      HIS  87  14.818 -17.058  -2.211
  643    HE2  HIS  87           HE2      HIS  87  13.099 -18.886  -1.976
  Start of MODEL   10
    1   1H    HIS   1           HT1      HIS   1 -17.332   0.841  -7.214
    2   2H    HIS   1           HT2      HIS   1 -16.276  -0.473  -7.087
    3   3H    HIS   1           HT3      HIS   1 -16.167   0.574  -8.411
    4    HA   HIS   1           HA       HIS   1 -14.644   0.725  -6.203
    5   1HB   HIS   1          HB2       HIS   1 -15.485   2.935  -8.096
    6   2HB   HIS   1          HB1       HIS   1 -14.051   2.975  -7.075
    7    HD1  HIS   1           HD1      HIS   1 -15.459   0.543  -9.658
    8    HD2  HIS   1           HD2      HIS   1 -11.869   2.278  -8.490
    9    HE1  HIS   1           HE1      HIS   1 -13.731  -0.350 -11.252
   10    HE2  HIS   1           HE2      HIS   1 -11.582   0.781 -10.579
   11    H    SER   2           HN       SER   2 -15.585   0.742  -4.195
   12    HA   SER   2           HA       SER   2 -17.631   2.632  -3.488
   13   1HB   SER   2          HB2       SER   2 -17.559   0.421  -2.429
   14   2HB   SER   2          HB1       SER   2 -15.975   0.789  -1.747
   15    HG   SER   2           HG       SER   2 -17.748   2.725  -1.133
   16    H    SER   3           HN       SER   3 -17.454   4.419  -2.147
   17    HA   SER   3           HA       SER   3 -15.112   5.958  -2.386
   18   1HB   SER   3          HB2       SER   3 -17.317   6.984  -2.119
   19   2HB   SER   3          HB1       SER   3 -17.455   6.304  -0.498
   20    HG   SER   3           HG       SER   3 -15.153   7.681  -0.751
   21    H    GLY   4           HN       GLY   4 -15.976   3.507  -0.177
   22   1HA   GLY   4          HA2       GLY   4 -13.457   3.593   1.126
   23   2HA   GLY   4          HA1       GLY   4 -14.701   4.260   2.173
   24    H    HIS   5           HN       HIS   5 -13.211   1.437   1.034
   25    HA   HIS   5           HA       HIS   5 -15.358  -0.378   1.615
   26   1HB   HIS   5          HB2       HIS   5 -13.636  -2.136   1.309
   27   2HB   HIS   5          HB1       HIS   5 -13.697  -1.002  -0.036
   28    HD1  HIS   5           HD1      HIS   5 -11.701  -1.272   3.205
   29    HD2  HIS   5           HD2      HIS   5 -11.220  -0.283  -0.801
   30    HE1  HIS   5           HE1      HIS   5  -9.257  -0.742   2.931
   31    HE2  HIS   5           HE2      HIS   5  -9.015  -0.032   0.527
   32    H    ILE   6           HN       ILE   6 -13.530   1.491   3.577
   33    HA   ILE   6           HA       ILE   6 -13.297  -0.499   5.719
   34    HB   ILE   6           HB       ILE   6 -12.275   2.345   5.644
   35   1HG1  ILE   6          HG12      ILE   6 -10.793  -0.274   5.309
   36   2HG1  ILE   6          HG11      ILE   6 -11.142   0.872   4.019
   37   1HG2  ILE   6          HG21      ILE   6 -11.372   2.043   7.725
   38   2HG2  ILE   6          HG22      ILE   6 -11.281   0.290   7.553
   39   3HG2  ILE   6          HG23      ILE   6 -12.832   1.065   7.880
   40   1HD1  ILE   6          HD11      ILE   6  -9.862   2.515   5.659
   41   2HD1  ILE   6          HD12      ILE   6  -9.021   1.496   4.491
   42   3HD1  ILE   6          HD13      ILE   6  -9.129   0.998   6.179
   43    H    ASP   7           HN       ASP   7 -15.597  -0.613   6.037
   44    HA   ASP   7           HA       ASP   7 -16.518   1.140   8.079
   45   1HB   ASP   7          HB2       ASP   7 -16.960   2.583   6.128
   46   2HB   ASP   7          HB1       ASP   7 -17.930   1.305   5.405
   47    H    ASP   8           HN       ASP   8 -17.784  -0.963   5.492
   48    HA   ASP   8           HA       ASP   8 -19.162  -2.523   7.577
   49   1HB   ASP   8          HB2       ASP   8 -20.838  -3.117   5.840
   50   2HB   ASP   8          HB1       ASP   8 -20.796  -1.392   6.191
   51    H    ASP   9           HN       ASP   9 -19.097  -4.756   7.454
   52    HA   ASP   9           HA       ASP   9 -16.908  -5.818   5.842
   53   1HB   ASP   9          HB2       ASP   9 -18.474  -7.066   8.111
   54   2HB   ASP   9          HB1       ASP   9 -17.095  -7.806   7.302
   55    H    ASP  10           HN       ASP  10 -19.404  -5.147   4.562
   56    HA   ASP  10           HA       ASP  10 -20.623  -7.723   3.962
   57   1HB   ASP  10          HB2       ASP  10 -22.090  -5.774   4.331
   58   2HB   ASP  10          HB1       ASP  10 -21.333  -4.959   2.966
   59    H    LYS  11           HN       LYS  11 -19.128  -5.040   2.216
   60    HA   LYS  11           HA       LYS  11 -18.883  -6.587  -0.206
   61   1HB   LYS  11          HB2       LYS  11 -17.980  -4.580  -1.174
   62   2HB   LYS  11          HB1       LYS  11 -19.350  -4.144  -0.167
   63   1HG   LYS  11          HG2       LYS  11 -17.836  -2.506   0.364
   64   2HG   LYS  11          HG1       LYS  11 -17.568  -3.682   1.650
   65   1HD   LYS  11          HD2       LYS  11 -15.446  -2.874   0.779
   66   2HD   LYS  11          HD1       LYS  11 -15.649  -4.586   0.407
   67   1HE   LYS  11          HE2       LYS  11 -14.750  -3.387  -1.510
   68   2HE   LYS  11          HE1       LYS  11 -16.364  -4.004  -1.862
   69   1HZ   LYS  11          HZ1       LYS  11 -15.427  -1.276  -1.697
   70   2HZ   LYS  11          HZ2       LYS  11 -16.901  -1.551  -0.914
   71   3HZ   LYS  11          HZ3       LYS  11 -16.734  -1.924  -2.555
   72    H    HIS  12           HN       HIS  12 -16.932  -5.681   2.494
   73    HA   HIS  12           HA       HIS  12 -14.401  -6.332   1.350
   74   1HB   HIS  12          HB2       HIS  12 -14.720  -4.797   3.297
   75   2HB   HIS  12          HB1       HIS  12 -15.164  -6.191   4.274
   76    HD1  HIS  12           HD1      HIS  12 -13.116  -8.161   4.119
   77    HD2  HIS  12           HD2      HIS  12 -12.134  -4.155   3.630
   78    HE1  HIS  12           HE1      HIS  12 -10.650  -8.011   4.591
   79    HE2  HIS  12           HE2      HIS  12 -10.095  -5.563   4.369
   80    H    MET  13           HN       MET  13 -16.947  -8.121   2.823
   81    HA   MET  13           HA       MET  13 -15.501 -10.371   3.717
   82   1HB   MET  13          HB2       MET  13 -17.810  -9.953   4.400
   83   2HB   MET  13          HB1       MET  13 -18.359 -10.186   2.746
   84   1HG   MET  13          HG2       MET  13 -17.653 -12.510   2.821
   85   2HG   MET  13          HG1       MET  13 -17.051 -12.285   4.462
   86   1HE   MET  13          HE1       MET  13 -20.049 -10.562   5.804
   87   2HE   MET  13          HE2       MET  13 -18.422 -11.140   6.162
   88   3HE   MET  13          HE3       MET  13 -19.825 -12.051   6.722
   89    H    ALA  14           HN       ALA  14 -16.644  -9.416   0.560
   90    HA   ALA  14           HA       ALA  14 -15.991 -12.020  -0.584
   91   1HB   ALA  14          HB1       ALA  14 -18.056 -10.812  -1.266
   92   2HB   ALA  14          HB2       ALA  14 -16.990 -11.218  -2.611
   93   3HB   ALA  14          HB3       ALA  14 -17.036  -9.568  -1.991
   94    H    GLU  15           HN       GLU  15 -14.473  -9.086   0.052
   95    HA   GLU  15           HA       GLU  15 -12.360  -9.699  -1.907
   96   1HB   GLU  15          HB2       GLU  15 -13.250  -6.960  -1.000
   97   2HB   GLU  15          HB1       GLU  15 -11.912  -7.290  -2.092
   98   1HG   GLU  15          HG2       GLU  15 -13.478  -8.249  -3.710
   99   2HG   GLU  15          HG1       GLU  15 -14.815  -7.893  -2.618
  100    H    ARG  16           HN       ARG  16 -12.680 -10.495   0.897
  101    HA   ARG  16           HA       ARG  16 -10.903  -8.911   2.474
  102   1HB   ARG  16          HB2       ARG  16 -11.022 -10.903   4.045
  103   2HB   ARG  16          HB1       ARG  16 -12.539 -10.096   3.684
  104   1HG   ARG  16          HG2       ARG  16 -12.957 -12.423   3.653
  105   2HG   ARG  16          HG1       ARG  16 -12.978 -11.876   1.977
  106   1HD   ARG  16          HD2       ARG  16 -10.714 -12.707   1.660
  107   2HD   ARG  16          HD1       ARG  16 -10.640 -13.197   3.352
  108    HE   ARG  16           HE       ARG  16 -11.733 -14.689   1.234
  109   1HH1  ARG  16          HH11      ARG  16 -12.397 -13.836   4.549
  110   2HH1  ARG  16          HH12      ARG  16 -13.300 -15.277   4.873
  111   1HH2  ARG  16          HH21      ARG  16 -12.917 -16.589   1.655
  112   2HH2  ARG  16          HH22      ARG  16 -13.594 -16.843   3.229
  113    H    LEU  17           HN       LEU  17  -9.925 -10.097  -0.130
  114    HA   LEU  17           HA       LEU  17  -7.949 -12.039   0.533
  115   1HB   LEU  17          HB2       LEU  17  -8.211 -10.214  -1.858
  116   2HB   LEU  17          HB1       LEU  17  -7.004 -11.475  -1.715
  117    HG   LEU  17           HG       LEU  17  -8.780 -12.273  -3.108
  118   1HD1  LEU  17          HD11      LEU  17  -8.964 -13.520  -0.372
  119   2HD1  LEU  17          HD12      LEU  17  -7.788 -13.915  -1.626
  120   3HD1  LEU  17          HD13      LEU  17  -9.499 -14.262  -1.879
  121   1HD2  LEU  17          HD21      LEU  17 -11.083 -12.393  -2.420
  122   2HD2  LEU  17          HD22      LEU  17 -10.524 -10.726  -2.282
  123   3HD2  LEU  17          HD23      LEU  17 -10.684 -11.724  -0.837
  124    H    SER  18           HN       SER  18  -5.729 -11.791   0.792
  125    HA   SER  18           HA       SER  18  -4.909  -9.110   1.665
  126   1HB   SER  18          HB2       SER  18  -3.682 -11.815   2.255
  127   2HB   SER  18          HB1       SER  18  -3.095 -10.274   2.879
  128    HG   SER  18           HG       SER  18  -4.405 -11.063   4.443
  129    H    GLU  19           HN       GLU  19  -4.454  -8.281  -0.409
  130    HA   GLU  19           HA       GLU  19  -2.749  -9.542  -2.271
  131   1HB   GLU  19          HB2       GLU  19  -2.655  -7.405  -3.404
  132   2HB   GLU  19          HB1       GLU  19  -4.298  -7.702  -2.855
  133   1HG   GLU  19          HG2       GLU  19  -2.302  -5.944  -1.445
  134   2HG   GLU  19          HG1       GLU  19  -3.564  -5.374  -2.535
  135    H    GLU  20           HN       GLU  20  -2.107  -8.054   0.696
  136    HA   GLU  20           HA       GLU  20   0.314  -6.783   0.423
  137   1HB   GLU  20          HB2       GLU  20   0.762  -7.418   2.747
  138   2HB   GLU  20          HB1       GLU  20  -0.909  -6.918   2.532
  139   1HG   GLU  20          HG2       GLU  20  -1.589  -9.275   2.450
  140   2HG   GLU  20          HG1       GLU  20   0.086  -9.749   2.729
  141    H    GLU  21           HN       GLU  21  -0.356 -10.191   0.204
  142    HA   GLU  21           HA       GLU  21   2.495 -10.635  -0.372
  143   1HB   GLU  21          HB2       GLU  21   1.984 -11.527   1.854
  144   2HB   GLU  21          HB1       GLU  21   0.683 -12.496   1.176
  145   1HG   GLU  21          HG2       GLU  21   2.306 -13.749  -0.150
  146   2HG   GLU  21          HG1       GLU  21   3.610 -12.779   0.533
  147    H    ILE  22           HN       ILE  22  -0.774 -11.081  -1.266
  148    HA   ILE  22           HA       ILE  22  -0.134 -13.183  -3.190
  149    HB   ILE  22           HB       ILE  22  -2.800 -11.895  -2.603
  150   1HG1  ILE  22          HG12      ILE  22  -1.939 -13.074  -0.642
  151   2HG1  ILE  22          HG11      ILE  22  -3.287 -13.960  -1.346
  152   1HG2  ILE  22          HG21      ILE  22  -3.081 -12.816  -4.695
  153   2HG2  ILE  22          HG22      ILE  22  -3.525 -14.173  -3.659
  154   3HG2  ILE  22          HG23      ILE  22  -1.924 -14.113  -4.396
  155   1HD1  ILE  22          HD11      ILE  22  -1.080 -15.053  -2.584
  156   2HD1  ILE  22          HD12      ILE  22  -1.979 -15.748  -1.236
  157   3HD1  ILE  22          HD13      ILE  22  -0.541 -14.775  -0.928
  158    H    GLY  23           HN       GLY  23  -1.174  -9.794  -3.123
  159   1HA   GLY  23          HA2       GLY  23  -1.186  -9.728  -6.053
  160   2HA   GLY  23          HA1       GLY  23  -1.770  -8.459  -4.988
  161    H    GLY  24           HN       GLY  24   0.059  -7.578  -3.529
  162   1HA   GLY  24          HA2       GLY  24   1.830  -6.142  -5.098
  163   2HA   GLY  24          HA1       GLY  24   1.979  -6.355  -3.363
  164    H    LEU  25           HN       LEU  25   2.075  -9.410  -4.538
  165    HA   LEU  25           HA       LEU  25   4.936  -9.499  -4.221
  166   1HB   LEU  25          HB2       LEU  25   3.361 -11.182  -3.252
  167   2HB   LEU  25          HB1       LEU  25   3.037 -11.749  -4.876
  168    HG   LEU  25           HG       LEU  25   4.645 -13.152  -3.565
  169   1HD1  LEU  25          HD11      LEU  25   4.554 -13.109  -6.063
  170   2HD1  LEU  25          HD12      LEU  25   6.109 -13.588  -5.384
  171   3HD1  LEU  25          HD13      LEU  25   5.893 -11.962  -6.030
  172   1HD2  LEU  25          HD21      LEU  25   6.953 -11.504  -4.064
  173   2HD2  LEU  25          HD22      LEU  25   6.432 -12.291  -2.574
  174   3HD2  LEU  25          HD23      LEU  25   5.816 -10.691  -2.988
  175    H    LYS  26           HN       LYS  26   2.787 -10.831  -6.785
  176    HA   LYS  26           HA       LYS  26   5.068 -10.822  -8.586
  177   1HB   LYS  26          HB2       LYS  26   3.691 -12.823  -8.443
  178   2HB   LYS  26          HB1       LYS  26   2.282 -11.910  -8.965
  179   1HG   LYS  26          HG2       LYS  26   3.311 -11.512 -11.127
  180   2HG   LYS  26          HG1       LYS  26   4.767 -12.362 -10.606
  181   1HD   LYS  26          HD2       LYS  26   3.446 -14.413 -10.308
  182   2HD   LYS  26          HD1       LYS  26   2.007 -13.557 -10.865
  183   1HE   LYS  26          HE2       LYS  26   4.522 -14.012 -12.466
  184   2HE   LYS  26          HE1       LYS  26   3.011 -14.902 -12.649
  185   1HZ   LYS  26          HZ1       LYS  26   3.722 -12.612 -13.970
  186   2HZ   LYS  26          HZ2       LYS  26   2.606 -12.084 -12.814
  187   3HZ   LYS  26          HZ3       LYS  26   2.175 -13.296 -13.911
  188    H    GLU  27           HN       GLU  27   1.651  -9.954  -9.214
  189    HA   GLU  27           HA       GLU  27   2.539  -8.183 -11.324
  190   1HB   GLU  27          HB2       GLU  27  -0.235  -8.967 -10.448
  191   2HB   GLU  27          HB1       GLU  27   0.143  -8.011 -11.875
  192   1HG   GLU  27          HG2       GLU  27   1.076 -10.830 -11.387
  193   2HG   GLU  27          HG1       GLU  27  -0.303 -10.374 -12.384
  194    H    LEU  28           HN       LEU  28   0.036  -7.693  -8.840
  195    HA   LEU  28           HA       LEU  28  -0.434  -5.077  -9.051
  196   1HB   LEU  28          HB2       LEU  28  -0.165  -6.691  -6.536
  197   2HB   LEU  28          HB1       LEU  28  -0.701  -5.024  -6.509
  198    HG   LEU  28           HG       LEU  28  -2.618  -6.475  -6.418
  199   1HD1  LEU  28          HD11      LEU  28  -2.208  -4.503  -8.384
  200   2HD1  LEU  28          HD12      LEU  28  -3.729  -5.017  -7.654
  201   3HD1  LEU  28          HD13      LEU  28  -3.155  -5.788  -9.133
  202   1HD2  LEU  28          HD21      LEU  28  -3.158  -8.018  -8.252
  203   2HD2  LEU  28          HD22      LEU  28  -1.678  -8.475  -7.411
  204   3HD2  LEU  28          HD23      LEU  28  -1.589  -7.682  -8.983
  205    H    PHE  29           HN       PHE  29   2.474  -6.383  -7.562
  206    HA   PHE  29           HA       PHE  29   3.453  -4.104  -6.332
  207   1HB   PHE  29          HB2       PHE  29   4.356  -6.575  -6.490
  208   2HB   PHE  29          HB1       PHE  29   5.327  -5.912  -7.799
  209    HD1  PHE  29           HD1      PHE  29   4.423  -3.836  -4.929
  210    HD2  PHE  29           HD2      PHE  29   7.382  -6.385  -6.619
  211    HE1  PHE  29           HE1      PHE  29   6.050  -3.041  -3.267
  212    HE2  PHE  29           HE2      PHE  29   9.014  -5.590  -4.963
  213    HZ   PHE  29           HZ       PHE  29   8.351  -3.917  -3.282
  214    H    LYS  30           HN       LYS  30   4.279  -5.270  -9.593
  215    HA   LYS  30           HA       LYS  30   5.661  -2.899 -10.330
  216   1HB   LYS  30          HB2       LYS  30   4.483  -4.971 -12.181
  217   2HB   LYS  30          HB1       LYS  30   5.816  -3.878 -12.520
  218   1HG   LYS  30          HG2       LYS  30   5.884  -6.058 -10.445
  219   2HG   LYS  30          HG1       LYS  30   6.512  -6.211 -12.085
  220   1HD   LYS  30          HD2       LYS  30   8.070  -4.361 -11.646
  221   2HD   LYS  30          HD1       LYS  30   7.453  -4.245  -9.996
  222   1HE   LYS  30          HE2       LYS  30   8.200  -6.516  -9.540
  223   2HE   LYS  30          HE1       LYS  30   8.768  -6.679 -11.201
  224   1HZ   LYS  30          HZ1       LYS  30  10.118  -5.600  -8.981
  225   2HZ   LYS  30          HZ2       LYS  30   9.941  -4.389 -10.149
  226   3HZ   LYS  30          HZ3       LYS  30  10.696  -5.847 -10.552
  227    H    MET  31           HN       MET  31   2.329  -3.789 -10.355
  228    HA   MET  31           HA       MET  31   1.599  -1.837 -12.371
  229   1HB   MET  31          HB2       MET  31  -0.120  -3.613 -10.636
  230   2HB   MET  31          HB1       MET  31  -0.708  -2.604 -11.950
  231   1HG   MET  31          HG2       MET  31   1.185  -4.929 -12.188
  232   2HG   MET  31          HG1       MET  31  -0.508  -4.893 -12.676
  233   1HE   MET  31          HE1       MET  31   1.948  -5.110 -15.793
  234   2HE   MET  31          HE2       MET  31   0.267  -5.578 -15.535
  235   3HE   MET  31          HE3       MET  31   1.493  -5.995 -14.337
  236    H    ILE  32           HN       ILE  32   2.002  -1.884  -8.985
  237    HA   ILE  32           HA       ILE  32   0.211   0.394  -8.576
  238    HB   ILE  32           HB       ILE  32   1.825  -1.256  -6.630
  239   1HG1  ILE  32          HG12      ILE  32  -0.238  -2.300  -7.449
  240   2HG1  ILE  32          HG11      ILE  32  -0.382  -1.879  -5.746
  241   1HG2  ILE  32          HG21      ILE  32   1.848   0.482  -5.248
  242   2HG2  ILE  32          HG22      ILE  32   0.088   0.387  -5.188
  243   3HG2  ILE  32          HG23      ILE  32   0.874   1.448  -6.357
  244   1HD1  ILE  32          HD11      ILE  32  -1.689   0.086  -6.333
  245   2HD1  ILE  32          HD12      ILE  32  -2.421  -1.383  -6.979
  246   3HD1  ILE  32          HD13      ILE  32  -1.521  -0.305  -8.045
  247    H    ASP  33           HN       ASP  33   3.575  -0.502  -7.978
  248    HA   ASP  33           HA       ASP  33   4.544   2.018  -7.313
  249   1HB   ASP  33          HB2       ASP  33   5.879   0.067  -6.903
  250   2HB   ASP  33          HB1       ASP  33   5.874  -0.368  -8.607
  251    H    THR  34           HN       THR  34   4.143   3.757  -8.526
  252    HA   THR  34           HA       THR  34   3.701   3.843 -11.276
  253    HB   THR  34           HB       THR  34   3.260   5.627  -9.500
  254    HG1  THR  34           HG1      THR  34   2.849   6.115 -11.635
  255   1HG2  THR  34          HG21      THR  34   6.094   6.368 -10.150
  256   2HG2  THR  34          HG22      THR  34   5.455   5.908  -8.572
  257   3HG2  THR  34          HG23      THR  34   4.932   7.411  -9.331
  258    H    ASP  35           HN       ASP  35   6.544   3.711  -9.417
  259    HA   ASP  35           HA       ASP  35   8.370   4.592 -11.440
  260   1HB   ASP  35          HB2       ASP  35   8.817   4.765  -8.981
  261   2HB   ASP  35          HB1       ASP  35   8.966   3.012  -8.938
  262    H    ASN  36           HN       ASN  36   6.859   1.619 -10.548
  263    HA   ASN  36           HA       ASN  36   7.043  -0.508 -11.354
  264   1HB   ASN  36          HB2       ASN  36   8.052   0.962 -13.802
  265   2HB   ASN  36          HB1       ASN  36   7.527  -0.719 -13.773
  266   1HD2  ASN  36          HD21      ASN  36   5.577  -0.997 -14.539
  267   2HD2  ASN  36          HD22      ASN  36   4.259   0.115 -14.421
  268    H    SER  37           HN       SER  37   9.464   0.996 -10.183
  269    HA   SER  37           HA       SER  37  11.739  -0.314 -11.362
  270   1HB   SER  37          HB2       SER  37  12.976   0.653  -9.432
  271   2HB   SER  37          HB1       SER  37  12.026   1.865 -10.292
  272    HG   SER  37           HG       SER  37  11.214   0.527  -7.922
  273    H    GLY  38           HN       GLY  38   9.332  -1.035  -9.094
  274   1HA   GLY  38          HA2       GLY  38   9.017  -3.352  -8.453
  275   2HA   GLY  38          HA1       GLY  38  10.764  -3.517  -8.365
  276    H    THR  39           HN       THR  39   9.583  -0.610  -7.102
  277    HA   THR  39           HA       THR  39   9.086  -1.553  -4.426
  278    HB   THR  39           HB       THR  39  10.933  -0.099  -3.477
  279    HG1  THR  39           HG1      THR  39  11.623  -0.073  -6.193
  280   1HG2  THR  39          HG21      THR  39  12.681  -1.726  -3.660
  281   2HG2  THR  39          HG22      THR  39  11.917  -2.442  -5.079
  282   3HG2  THR  39          HG23      THR  39  11.130  -2.550  -3.503
  283    H    ILE  40           HN       ILE  40   7.994  -0.026  -3.190
  284    HA   ILE  40           HA       ILE  40   7.282   2.425  -4.654
  285    HB   ILE  40           HB       ILE  40   5.842   0.969  -2.427
  286   1HG1  ILE  40          HG12      ILE  40   4.914   1.510  -5.244
  287   2HG1  ILE  40          HG11      ILE  40   5.804   0.053  -4.811
  288   1HG2  ILE  40          HG21      ILE  40   4.370   2.673  -2.186
  289   2HG2  ILE  40          HG22      ILE  40   4.529   3.195  -3.863
  290   3HG2  ILE  40          HG23      ILE  40   5.765   3.630  -2.684
  291   1HD1  ILE  40          HD11      ILE  40   3.186   0.893  -3.590
  292   2HD1  ILE  40          HD12      ILE  40   4.051  -0.618  -3.306
  293   3HD1  ILE  40          HD13      ILE  40   3.368  -0.278  -4.897
  294    H    THR  41           HN       THR  41   7.407   4.444  -3.678
  295    HA   THR  41           HA       THR  41   8.587   4.557  -0.988
  296    HB   THR  41           HB       THR  41  10.121   6.337  -1.738
  297    HG1  THR  41           HG1      THR  41   9.359   7.216  -3.529
  298   1HG2  THR  41          HG21      THR  41  10.460   3.641  -2.168
  299   2HG2  THR  41          HG22      THR  41  11.714   4.879  -2.240
  300   3HG2  THR  41          HG23      THR  41  10.894   4.368  -3.715
  301    H    PHE  42           HN       PHE  42   8.040   6.325   0.240
  302    HA   PHE  42           HA       PHE  42   5.629   7.397   0.302
  303   1HB   PHE  42          HB2       PHE  42   7.242   7.788   2.048
  304   2HB   PHE  42          HB1       PHE  42   8.220   8.790   0.981
  305    HD1  PHE  42           HD1      PHE  42   8.160  10.992   1.529
  306    HD2  PHE  42           HD2      PHE  42   4.622   8.676   1.954
  307    HE1  PHE  42           HE1      PHE  42   6.949  12.990   2.278
  308    HE2  PHE  42           HE2      PHE  42   3.402  10.667   2.700
  309    HZ   PHE  42           HZ       PHE  42   4.560  12.837   2.867
  310    H    ASP  43           HN       ASP  43   8.289   8.791  -1.608
  311    HA   ASP  43           HA       ASP  43   7.163  11.145  -2.451
  312   1HB   ASP  43          HB2       ASP  43   9.453  10.402  -3.023
  313   2HB   ASP  43          HB1       ASP  43   8.779   9.245  -4.166
  314    H    GLU  44           HN       GLU  44   6.773   7.955  -3.960
  315    HA   GLU  44           HA       GLU  44   4.739   8.961  -5.766
  316   1HB   GLU  44          HB2       GLU  44   4.743   6.723  -6.706
  317   2HB   GLU  44          HB1       GLU  44   6.399   7.281  -6.516
  318   1HG   GLU  44          HG2       GLU  44   6.615   5.972  -4.473
  319   2HG   GLU  44          HG1       GLU  44   4.954   5.410  -4.657
  320    H    LEU  45           HN       LEU  45   4.997   7.056  -2.848
  321    HA   LEU  45           HA       LEU  45   2.651   5.743  -2.626
  322   1HB   LEU  45          HB2       LEU  45   4.403   5.751  -0.910
  323   2HB   LEU  45          HB1       LEU  45   3.934   7.374  -0.442
  324    HG   LEU  45           HG       LEU  45   1.679   6.479   0.173
  325   1HD1  LEU  45          HD11      LEU  45   3.022   3.893  -0.538
  326   2HD1  LEU  45          HD12      LEU  45   1.453   4.505  -1.058
  327   3HD1  LEU  45          HD13      LEU  45   1.680   3.959   0.603
  328   1HD2  LEU  45          HD21      LEU  45   3.695   6.784   1.731
  329   2HD2  LEU  45          HD22      LEU  45   3.816   5.025   1.690
  330   3HD2  LEU  45          HD23      LEU  45   2.350   5.795   2.297
  331    H    LYS  46           HN       LYS  46   3.071   9.052  -1.373
  332    HA   LYS  46           HA       LYS  46   0.469   9.614  -0.733
  333   1HB   LYS  46          HB2       LYS  46   1.067  12.013  -1.081
  334   2HB   LYS  46          HB1       LYS  46   2.220  11.117  -0.103
  335   1HG   LYS  46          HG2       LYS  46   3.698  10.903  -2.038
  336   2HG   LYS  46          HG1       LYS  46   2.541  11.805  -3.018
  337   1HD   LYS  46          HD2       LYS  46   3.935  12.854  -0.555
  338   2HD   LYS  46          HD1       LYS  46   4.398  13.214  -2.219
  339   1HE   LYS  46          HE2       LYS  46   1.761  13.895  -0.920
  340   2HE   LYS  46          HE1       LYS  46   3.071  15.025  -1.261
  341   1HZ   LYS  46          HZ1       LYS  46   1.818  15.361  -3.098
  342   2HZ   LYS  46          HZ2       LYS  46   1.145  13.809  -3.083
  343   3HZ   LYS  46          HZ3       LYS  46   2.711  14.044  -3.675
  344    H    ASP  47           HN       ASP  47   2.014  10.394  -3.857
  345    HA   ASP  47           HA       ASP  47  -0.309  11.389  -5.084
  346   1HB   ASP  47          HB2       ASP  47   2.164  10.186  -6.342
  347   2HB   ASP  47          HB1       ASP  47   0.941  11.118  -7.200
  348    H    GLY  48           HN       GLY  48   0.609   8.211  -4.335
  349   1HA   GLY  48          HA2       GLY  48  -0.746   6.880  -6.488
  350   2HA   GLY  48          HA1       GLY  48  -0.164   6.135  -5.002
  351    H    LEU  49           HN       LEU  49  -1.470   7.657  -3.135
  352    HA   LEU  49           HA       LEU  49  -4.181   6.637  -3.400
  353   1HB   LEU  49          HB2       LEU  49  -2.781   6.316  -1.324
  354   2HB   LEU  49          HB1       LEU  49  -2.907   8.042  -1.051
  355    HG   LEU  49           HG       LEU  49  -5.364   7.820  -0.887
  356   1HD1  LEU  49          HD11      LEU  49  -4.808   5.243  -1.971
  357   2HD1  LEU  49          HD12      LEU  49  -6.369   6.008  -1.673
  358   3HD1  LEU  49          HD13      LEU  49  -5.601   5.050  -0.406
  359   1HD2  LEU  49          HD21      LEU  49  -5.392   6.708   1.295
  360   2HD2  LEU  49          HD22      LEU  49  -4.000   7.779   1.129
  361   3HD2  LEU  49          HD23      LEU  49  -3.794   6.035   0.970
  362    H    LYS  50           HN       LYS  50  -2.389   9.506  -3.704
  363    HA   LYS  50           HA       LYS  50  -4.545  11.333  -3.205
  364   1HB   LYS  50          HB2       LYS  50  -2.206  12.003  -2.823
  365   2HB   LYS  50          HB1       LYS  50  -1.873  11.805  -4.537
  366   1HG   LYS  50          HG2       LYS  50  -2.162  14.143  -3.989
  367   2HG   LYS  50          HG1       LYS  50  -3.462  13.597  -5.049
  368   1HD   LYS  50          HD2       LYS  50  -4.946  13.373  -3.121
  369   2HD   LYS  50          HD1       LYS  50  -3.643  13.892  -2.050
  370   1HE   LYS  50          HE2       LYS  50  -3.569  16.055  -3.192
  371   2HE   LYS  50          HE1       LYS  50  -4.868  15.534  -4.265
  372   1HZ   LYS  50          HZ1       LYS  50  -5.638  16.927  -2.405
  373   2HZ   LYS  50          HZ2       LYS  50  -5.112  15.748  -1.313
  374   3HZ   LYS  50          HZ3       LYS  50  -6.354  15.394  -2.404
  375    H    ARG  51           HN       ARG  51  -3.252   9.567  -5.856
  376    HA   ARG  51           HA       ARG  51  -4.001  10.943  -8.095
  377   1HB   ARG  51          HB2       ARG  51  -2.856   8.787  -8.161
  378   2HB   ARG  51          HB1       ARG  51  -4.304   7.979  -7.582
  379   1HG   ARG  51          HG2       ARG  51  -4.207   7.574  -9.895
  380   2HG   ARG  51          HG1       ARG  51  -5.457   8.795  -9.668
  381   1HD   ARG  51          HD2       ARG  51  -2.608   9.391 -10.454
  382   2HD   ARG  51          HD1       ARG  51  -3.942   9.233 -11.594
  383    HE   ARG  51           HE       ARG  51  -4.627  11.144  -9.659
  384   1HH1  ARG  51          HH11      ARG  51  -2.422  10.700 -12.320
  385   2HH1  ARG  51          HH12      ARG  51  -2.323  12.390 -12.687
  386   1HH2  ARG  51          HH21      ARG  51  -4.505  13.371 -10.138
  387   2HH2  ARG  51          HH22      ARG  51  -3.507  13.908 -11.448
  388    H    VAL  52           HN       VAL  52  -6.084   9.340  -5.787
  389    HA   VAL  52           HA       VAL  52  -8.428   9.662  -7.483
  390    HB   VAL  52           HB       VAL  52  -9.679   8.550  -5.726
  391   1HG1  VAL  52          HG11      VAL  52  -7.131   6.993  -5.952
  392   2HG1  VAL  52          HG12      VAL  52  -8.127   7.309  -7.373
  393   3HG1  VAL  52          HG13      VAL  52  -8.798   6.421  -6.005
  394   1HG2  VAL  52          HG21      VAL  52  -8.178   7.618  -3.786
  395   2HG2  VAL  52          HG22      VAL  52  -8.893   9.226  -3.678
  396   3HG2  VAL  52          HG23      VAL  52  -7.202   9.043  -4.142
  397    H    GLY  53           HN       GLY  53  -6.930  11.156  -4.689
  398   1HA   GLY  53          HA2       GLY  53  -7.405  13.100  -3.565
  399   2HA   GLY  53          HA1       GLY  53  -8.247  13.598  -5.023
  400    H    SER  54           HN       SER  54  -8.912  11.041  -2.611
  401    HA   SER  54           HA       SER  54 -11.705  11.748  -2.623
  402   1HB   SER  54          HB2       SER  54 -11.029   9.397  -2.452
  403   2HB   SER  54          HB1       SER  54 -10.194   9.737  -0.937
  404    HG   SER  54           HG       SER  54 -12.029   9.506   0.037
  405    H    GLU  55           HN       GLU  55 -10.340  10.873   0.425
  406    HA   GLU  55           HA       GLU  55 -10.495  13.615   1.433
  407   1HB   GLU  55          HB2       GLU  55 -12.030  11.265   2.552
  408   2HB   GLU  55          HB1       GLU  55 -11.816  12.790   3.402
  409   1HG   GLU  55          HG2       GLU  55 -13.192  12.446   0.746
  410   2HG   GLU  55          HG1       GLU  55 -13.997  12.625   2.304
  411    H    LEU  56           HN       LEU  56  -8.146  12.525   1.014
  412    HA   LEU  56           HA       LEU  56  -7.282  11.236   3.499
  413   1HB   LEU  56          HB2       LEU  56  -5.134  10.893   2.161
  414   2HB   LEU  56          HB1       LEU  56  -6.542   9.942   1.724
  415    HG   LEU  56           HG       LEU  56  -6.974  11.555  -0.139
  416   1HD1  LEU  56          HD11      LEU  56  -4.947  12.922  -0.823
  417   2HD1  LEU  56          HD12      LEU  56  -4.374  12.705   0.830
  418   3HD1  LEU  56          HD13      LEU  56  -5.899  13.537   0.528
  419   1HD2  LEU  56          HD21      LEU  56  -4.759  10.836  -1.369
  420   2HD2  LEU  56          HD22      LEU  56  -5.999   9.658  -0.938
  421   3HD2  LEU  56          HD23      LEU  56  -4.563   9.836   0.071
  422    H    MET  57           HN       MET  57  -5.146  11.798   4.317
  423    HA   MET  57           HA       MET  57  -4.514  14.647   3.997
  424   1HB   MET  57          HB2       MET  57  -3.972  14.712   6.427
  425   2HB   MET  57          HB1       MET  57  -5.677  14.436   6.099
  426   1HG   MET  57          HG2       MET  57  -5.292  12.010   6.466
  427   2HG   MET  57          HG1       MET  57  -3.639  12.392   6.945
  428   1HE   MET  57          HE1       MET  57  -4.584  15.208   9.440
  429   2HE   MET  57          HE2       MET  57  -3.399  14.583   8.292
  430   3HE   MET  57          HE3       MET  57  -3.457  13.947   9.936
  431    H    GLU  58           HN       GLU  58  -2.519  14.920   3.312
  432    HA   GLU  58           HA       GLU  58  -0.688  12.897   2.834
  433   1HB   GLU  58          HB2       GLU  58  -0.128  15.840   3.231
  434   2HB   GLU  58          HB1       GLU  58   0.954  14.691   2.457
  435   1HG   GLU  58          HG2       GLU  58  -0.676  14.319   0.692
  436   2HG   GLU  58          HG1       GLU  58  -1.792  15.436   1.475
  437    H    SER  59           HN       SER  59  -1.507  14.193   5.809
  438    HA   SER  59           HA       SER  59   1.057  14.066   7.082
  439   1HB   SER  59          HB2       SER  59  -0.705  15.536   7.946
  440   2HB   SER  59          HB1       SER  59  -1.718  14.134   8.290
  441    HG   SER  59           HG       SER  59  -0.133  13.444   9.777
  442    H    GLU  60           HN       GLU  60  -1.540  11.824   6.504
  443    HA   GLU  60           HA       GLU  60  -0.475   9.878   8.374
  444   1HB   GLU  60          HB2       GLU  60  -2.822   9.766   6.476
  445   2HB   GLU  60          HB1       GLU  60  -2.372   8.473   7.575
  446   1HG   GLU  60          HG2       GLU  60  -3.163  11.255   8.399
  447   2HG   GLU  60          HG1       GLU  60  -4.215   9.841   8.428
  448    H    ILE  61           HN       ILE  61  -0.135  10.730   5.090
  449    HA   ILE  61           HA       ILE  61   0.482   8.170   4.017
  450    HB   ILE  61           HB       ILE  61   1.430  10.852   3.009
  451   1HG1  ILE  61          HG12      ILE  61  -1.004  10.854   3.246
  452   2HG1  ILE  61          HG11      ILE  61  -0.554  10.801   1.545
  453   1HG2  ILE  61          HG21      ILE  61   0.874   8.921   0.978
  454   2HG2  ILE  61          HG22      ILE  61   1.971   8.219   2.166
  455   3HG2  ILE  61          HG23      ILE  61   2.395   9.728   1.357
  456   1HD1  ILE  61          HD11      ILE  61  -1.624   8.879   1.232
  457   2HD1  ILE  61          HD12      ILE  61  -2.361   9.160   2.809
  458   3HD1  ILE  61          HD13      ILE  61  -0.919   8.154   2.677
  459    H    LYS  62           HN       LYS  62   2.418  10.760   5.452
  460    HA   LYS  62           HA       LYS  62   4.916   9.449   4.940
  461   1HB   LYS  62          HB2       LYS  62   5.895  11.213   6.340
  462   2HB   LYS  62          HB1       LYS  62   4.824  11.878   5.119
  463   1HG   LYS  62          HG2       LYS  62   4.287  13.110   6.992
  464   2HG   LYS  62          HG1       LYS  62   3.047  11.856   6.995
  465   1HD   LYS  62          HD2       LYS  62   4.269  10.598   8.663
  466   2HD   LYS  62          HD1       LYS  62   5.602  11.751   8.599
  467   1HE   LYS  62          HE2       LYS  62   2.783  12.366   9.478
  468   2HE   LYS  62          HE1       LYS  62   4.161  12.121  10.550
  469   1HZ   LYS  62          HZ1       LYS  62   3.846  14.297   8.553
  470   2HZ   LYS  62          HZ2       LYS  62   5.237  14.038   9.480
  471   3HZ   LYS  62          HZ3       LYS  62   3.784  14.458  10.237
  472    H    ASP  63           HN       ASP  63   2.550   9.426   7.461
  473    HA   ASP  63           HA       ASP  63   4.292   8.100   9.363
  474   1HB   ASP  63          HB2       ASP  63   2.581   9.721  10.129
  475   2HB   ASP  63          HB1       ASP  63   1.320   8.667   9.500
  476    H    LEU  64           HN       LEU  64   2.177   7.290   6.818
  477    HA   LEU  64           HA       LEU  64   1.482   4.661   7.753
  478   1HB   LEU  64          HB2       LEU  64   0.061   5.984   6.191
  479   2HB   LEU  64          HB1       LEU  64   1.308   5.817   4.969
  480    HG   LEU  64           HG       LEU  64   1.001   3.354   5.029
  481   1HD1  LEU  64          HD11      LEU  64  -0.709   2.317   6.238
  482   2HD1  LEU  64          HD12      LEU  64  -1.490   3.850   6.625
  483   3HD1  LEU  64          HD13      LEU  64   0.039   3.420   7.392
  484   1HD2  LEU  64          HD21      LEU  64  -1.168   5.244   4.264
  485   2HD2  LEU  64          HD22      LEU  64  -1.467   3.511   4.135
  486   3HD2  LEU  64          HD23      LEU  64  -0.130   4.243   3.249
  487    H    MET  65           HN       MET  65   3.760   6.030   5.407
  488    HA   MET  65           HA       MET  65   4.824   3.492   4.646
  489   1HB   MET  65          HB2       MET  65   6.589   4.842   3.524
  490   2HB   MET  65          HB1       MET  65   4.957   5.298   3.072
  491   1HG   MET  65          HG2       MET  65   6.152   7.301   3.327
  492   2HG   MET  65          HG1       MET  65   5.132   7.161   4.755
  493   1HE   MET  65          HE1       MET  65   8.567   5.153   4.169
  494   2HE   MET  65          HE2       MET  65   9.681   6.430   4.659
  495   3HE   MET  65          HE3       MET  65   8.641   6.658   3.252
  496    H    ASP  66           HN       ASP  66   5.343   5.614   7.269
  497    HA   ASP  66           HA       ASP  66   8.014   4.672   7.858
  498   1HB   ASP  66          HB2       ASP  66   7.312   6.991   8.390
  499   2HB   ASP  66          HB1       ASP  66   6.141   6.354   9.539
  500    H    ALA  67           HN       ALA  67   4.734   4.187   9.079
  501    HA   ALA  67           HA       ALA  67   5.584   2.414  11.184
  502   1HB   ALA  67          HB1       ALA  67   3.422   3.950  10.931
  503   2HB   ALA  67          HB2       ALA  67   3.444   2.499  11.933
  504   3HB   ALA  67          HB3       ALA  67   2.755   2.440  10.310
  505    H    ALA  68           HN       ALA  68   3.907   2.046   8.076
  506    HA   ALA  68           HA       ALA  68   3.520  -0.721   8.180
  507   1HB   ALA  68          HB1       ALA  68   2.827   1.234   6.439
  508   2HB   ALA  68          HB2       ALA  68   2.659  -0.492   6.117
  509   3HB   ALA  68          HB3       ALA  68   4.066   0.385   5.515
  510    H    ASP  69           HN       ASP  69   6.128   1.109   6.574
  511    HA   ASP  69           HA       ASP  69   7.620  -1.320   6.098
  512   1HB   ASP  69          HB2       ASP  69   7.702   0.354   4.383
  513   2HB   ASP  69          HB1       ASP  69   8.236   1.582   5.530
  514    H    ILE  70           HN       ILE  70   8.773  -2.221   7.613
  515    HA   ILE  70           HA       ILE  70   9.659  -0.732   9.929
  516    HB   ILE  70           HB       ILE  70   8.687  -2.982  10.183
  517   1HG1  ILE  70          HG12      ILE  70  11.595  -2.815  11.016
  518   2HG1  ILE  70          HG11      ILE  70  10.245  -2.088  11.882
  519   1HG2  ILE  70          HG21      ILE  70  11.173  -3.899   8.749
  520   2HG2  ILE  70          HG22      ILE  70   9.519  -3.993   8.143
  521   3HG2  ILE  70          HG23      ILE  70  10.002  -4.952   9.542
  522   1HD1  ILE  70          HD11      ILE  70   9.806  -4.904  11.452
  523   2HD1  ILE  70          HD12      ILE  70   9.829  -3.981  12.954
  524   3HD1  ILE  70          HD13      ILE  70  11.334  -4.607  12.281
  525    H    ASP  71           HN       ASP  71  10.941  -1.813   6.930
  526    HA   ASP  71           HA       ASP  71  13.652  -2.088   7.659
  527   1HB   ASP  71          HB2       ASP  71  12.577  -2.828   5.485
  528   2HB   ASP  71          HB1       ASP  71  12.643  -1.145   4.972
  529    H    LYS  72           HN       LYS  72  11.656   0.583   7.663
  530    HA   LYS  72           HA       LYS  72  11.941   2.853   7.616
  531   1HB   LYS  72          HB2       LYS  72  13.606   3.632   9.249
  532   2HB   LYS  72          HB1       LYS  72  12.654   2.288   9.863
  533   1HG   LYS  72          HG2       LYS  72  14.431   0.914   9.997
  534   2HG   LYS  72          HG1       LYS  72  15.184   1.569   8.541
  535   1HD   LYS  72          HD2       LYS  72  15.883   3.539   9.767
  536   2HD   LYS  72          HD1       LYS  72  15.100   2.933  11.229
  537   1HE   LYS  72          HE2       LYS  72  17.386   1.611   9.768
  538   2HE   LYS  72          HE1       LYS  72  17.520   2.536  11.261
  539   1HZ   LYS  72          HZ1       LYS  72  17.461   0.294  11.894
  540   2HZ   LYS  72          HZ2       LYS  72  16.183  -0.072  10.848
  541   3HZ   LYS  72          HZ3       LYS  72  15.905   0.874  12.222
  542    H    SER  73           HN       SER  73  13.262   1.429   5.415
  543    HA   SER  73           HA       SER  73  15.662   3.018   4.926
  544   1HB   SER  73          HB2       SER  73  15.914   1.653   2.901
  545   2HB   SER  73          HB1       SER  73  15.676   0.634   4.321
  546    HG   SER  73           HG       SER  73  13.726   1.343   2.385
  547    H    GLY  74           HN       GLY  74  12.448   3.557   4.615
  548   1HA   GLY  74          HA2       GLY  74  11.470   5.448   3.624
  549   2HA   GLY  74          HA1       GLY  74  12.901   5.635   2.618
  550    H    THR  75           HN       THR  75  12.634   2.640   2.073
  551    HA   THR  75           HA       THR  75  10.596   2.884  -0.045
  552    HB   THR  75           HB       THR  75  13.097   1.179   0.063
  553    HG1  THR  75           HG1      THR  75  13.379   2.623  -1.935
  554   1HG2  THR  75          HG21      THR  75  11.105   1.479  -2.169
  555   2HG2  THR  75          HG22      THR  75  11.378   0.031  -1.200
  556   3HG2  THR  75          HG23      THR  75  12.649   0.631  -2.264
  557    H    ILE  76           HN       ILE  76   8.877   1.550   0.097
  558    HA   ILE  76           HA       ILE  76   9.059  -0.671   2.019
  559    HB   ILE  76           HB       ILE  76   7.517   1.115   2.694
  560   1HG1  ILE  76          HG12      ILE  76   6.102  -1.445   1.909
  561   2HG1  ILE  76          HG11      ILE  76   7.077  -1.224   3.358
  562   1HG2  ILE  76          HG21      ILE  76   5.436   1.475   1.432
  563   2HG2  ILE  76          HG22      ILE  76   6.042   0.414   0.159
  564   3HG2  ILE  76          HG23      ILE  76   6.867   1.933   0.509
  565   1HD1  ILE  76          HD11      ILE  76   4.590  -1.094   3.671
  566   2HD1  ILE  76          HD12      ILE  76   4.635   0.420   2.767
  567   3HD1  ILE  76          HD13      ILE  76   5.511   0.277   4.291
  568    H    ASP  77           HN       ASP  77   7.955  -2.576   1.653
  569    HA   ASP  77           HA       ASP  77   7.061  -3.104  -1.103
  570   1HB   ASP  77          HB2       ASP  77   8.835  -4.914   0.562
  571   2HB   ASP  77          HB1       ASP  77   8.156  -5.318  -1.011
  572    H    TYR  78           HN       TYR  78   5.506  -4.876  -1.252
  573    HA   TYR  78           HA       TYR  78   3.697  -4.872   0.950
  574   1HB   TYR  78          HB2       TYR  78   3.706  -6.444  -1.634
  575   2HB   TYR  78          HB1       TYR  78   2.456  -6.622  -0.414
  576    HD1  TYR  78           HD1      TYR  78   0.530  -5.747  -1.332
  577    HD2  TYR  78           HD2      TYR  78   4.144  -3.528  -1.679
  578    HE1  TYR  78           HE1      TYR  78  -0.722  -3.870  -2.307
  579    HE2  TYR  78           HE2      TYR  78   2.901  -1.646  -2.652
  580    HH   TYR  78           HH       TYR  78   0.314  -0.854  -2.469
  581    H    GLY  79           HN       GLY  79   6.356  -6.846   0.091
  582   1HA   GLY  79          HA2       GLY  79   5.474  -9.161   1.581
  583   2HA   GLY  79          HA1       GLY  79   7.035  -8.949   0.811
  584    H    GLU  80           HN       GLU  80   7.321  -6.298   2.304
  585    HA   GLU  80           HA       GLU  80   8.500  -7.500   4.671
  586   1HB   GLU  80          HB2       GLU  80   9.581  -5.334   5.004
  587   2HB   GLU  80          HB1       GLU  80   9.851  -5.949   3.382
  588   1HG   GLU  80          HG2       GLU  80   8.191  -4.433   2.496
  589   2HG   GLU  80          HG1       GLU  80   7.814  -3.862   4.123
  590    H    PHE  81           HN       PHE  81   5.953  -5.222   3.870
  591    HA   PHE  81           HA       PHE  81   5.371  -4.072   6.279
  592   1HB   PHE  81          HB2       PHE  81   4.177  -3.460   4.282
  593   2HB   PHE  81          HB1       PHE  81   3.481  -5.069   4.144
  594    HD1  PHE  81           HD1      PHE  81   3.735  -2.701   7.018
  595    HD2  PHE  81           HD2      PHE  81   1.213  -4.909   4.398
  596    HE1  PHE  81           HE1      PHE  81   1.767  -1.964   8.298
  597    HE2  PHE  81           HE2      PHE  81  -0.760  -4.175   5.671
  598    HZ   PHE  81           HZ       PHE  81  -0.485  -2.701   7.624
  599    H    ILE  82           HN       ILE  82   4.947  -7.427   5.443
  600    HA   ILE  82           HA       ILE  82   3.114  -7.914   7.633
  601    HB   ILE  82           HB       ILE  82   4.378  -9.765   5.621
  602   1HG1  ILE  82          HG12      ILE  82   1.985 -10.077   4.949
  603   2HG1  ILE  82          HG11      ILE  82   1.543  -8.822   6.101
  604   1HG2  ILE  82          HG21      ILE  82   2.515 -11.322   6.729
  605   2HG2  ILE  82          HG22      ILE  82   2.965 -10.375   8.147
  606   3HG2  ILE  82          HG23      ILE  82   4.190 -11.299   7.278
  607   1HD1  ILE  82          HD11      ILE  82   1.854  -8.263   3.579
  608   2HD1  ILE  82          HD12      ILE  82   3.565  -8.219   4.002
  609   3HD1  ILE  82          HD13      ILE  82   2.427  -7.146   4.817
  610    H    ALA  83           HN       ALA  83   6.192  -9.556   6.811
  611    HA   ALA  83           HA       ALA  83   6.543 -10.268   9.582
  612   1HB   ALA  83          HB1       ALA  83   8.323 -10.751   7.200
  613   2HB   ALA  83          HB2       ALA  83   7.115 -11.861   7.849
  614   3HB   ALA  83          HB3       ALA  83   8.541 -11.453   8.803
  615    H    ALA  84           HN       ALA  84   8.826  -8.721   7.309
  616    HA   ALA  84           HA       ALA  84   9.350  -6.483   8.939
  617   1HB   ALA  84          HB1       ALA  84  11.736  -7.209   9.562
  618   2HB   ALA  84          HB2       ALA  84  11.144  -8.853   9.324
  619   3HB   ALA  84          HB3       ALA  84  10.398  -7.814  10.538
  620    H    THR  85           HN       THR  85  11.737  -8.541   7.302
  621    HA   THR  85           HA       THR  85  11.726  -6.775   4.986
  622    HB   THR  85           HB       THR  85  14.214  -6.502   5.114
  623    HG1  THR  85           HG1      THR  85  13.774  -7.732   7.605
  624   1HG2  THR  85          HG21      THR  85  13.080  -4.572   5.755
  625   2HG2  THR  85          HG22      THR  85  14.206  -4.884   7.076
  626   3HG2  THR  85          HG23      THR  85  12.502  -5.300   7.254
  627    H    VAL  86           HN       VAL  86  14.208  -9.038   6.119
  628    HA   VAL  86           HA       VAL  86  13.338 -11.267   4.633
  629    HB   VAL  86           HB       VAL  86  13.892  -9.929   2.679
  630   1HG1  VAL  86          HG11      VAL  86  16.563  -9.615   4.025
  631   2HG1  VAL  86          HG12      VAL  86  15.453  -8.353   3.492
  632   3HG1  VAL  86          HG13      VAL  86  16.320  -9.324   2.302
  633   1HG2  VAL  86          HG21      VAL  86  16.145 -11.885   2.918
  634   2HG2  VAL  86          HG22      VAL  86  15.107 -11.540   1.535
  635   3HG2  VAL  86          HG23      VAL  86  14.472 -12.442   2.911
  636    H    HIS  87           HN       HIS  87  14.324 -13.019   5.438
  637    HA   HIS  87           HA       HIS  87  16.741 -12.601   7.054
  638   1HB   HIS  87          HB2       HIS  87  14.711 -14.844   7.112
  639   2HB   HIS  87          HB1       HIS  87  16.137 -14.752   8.139
  640    HD1  HIS  87           HD1      HIS  87  13.847 -14.935   9.817
  641    HD2  HIS  87           HD2      HIS  87  14.843 -11.274   8.120
  642    HE1  HIS  87           HE1      HIS  87  12.710 -13.201  11.241
  643    HE2  HIS  87           HE2      HIS  87  13.266 -11.000  10.151
  Start of MODEL   11
    1   1H    HIS   1           HT1      HIS   1  32.045  -7.535   8.188
    2   2H    HIS   1           HT2      HIS   1  32.687  -9.037   7.748
    3   3H    HIS   1           HT3      HIS   1  31.353  -8.412   6.917
    4    HA   HIS   1           HA       HIS   1  33.089  -6.427   6.571
    5   1HB   HIS   1          HB2       HIS   1  34.650  -9.021   6.615
    6   2HB   HIS   1          HB1       HIS   1  35.259  -7.490   5.997
    7    HD1  HIS   1           HD1      HIS   1  33.663  -8.600   9.281
    8    HD2  HIS   1           HD2      HIS   1  36.820  -6.311   7.846
    9    HE1  HIS   1           HE1      HIS   1  34.839  -7.722  11.324
   10    HE2  HIS   1           HE2      HIS   1  36.795  -6.409  10.431
   11    H    SER   2           HN       SER   2  34.076  -6.460   4.303
   12    HA   SER   2           HA       SER   2  32.886  -8.391   2.492
   13   1HB   SER   2          HB2       SER   2  32.217  -5.443   2.324
   14   2HB   SER   2          HB1       SER   2  31.794  -6.653   1.113
   15    HG   SER   2           HG       SER   2  30.074  -6.943   2.273
   16    H    SER   3           HN       SER   3  33.320  -7.228   0.100
   17    HA   SER   3           HA       SER   3  36.234  -6.975   0.070
   18   1HB   SER   3          HB2       SER   3  36.037  -7.447  -2.348
   19   2HB   SER   3          HB1       SER   3  35.270  -8.699  -1.372
   20    HG   SER   3           HG       SER   3  33.472  -6.804  -1.908
   21    H    GLY   4           HN       GLY   4  34.133  -4.818   0.671
   22   1HA   GLY   4          HA2       GLY   4  35.218  -2.517   0.220
   23   2HA   GLY   4          HA1       GLY   4  34.839  -2.906  -1.451
   24    H    HIS   5           HN       HIS   5  33.885  -0.657   0.070
   25    HA   HIS   5           HA       HIS   5  31.056  -1.278   0.488
   26   1HB   HIS   5          HB2       HIS   5  32.624   1.241   1.084
   27   2HB   HIS   5          HB1       HIS   5  30.923   0.991   1.463
   28    HD1  HIS   5           HD1      HIS   5  34.136  -0.935   2.192
   29    HD2  HIS   5           HD2      HIS   5  30.648   0.337   4.059
   30    HE1  HIS   5           HE1      HIS   5  34.313  -1.740   4.568
   31    HE2  HIS   5           HE2      HIS   5  32.231  -0.884   5.700
   32    H    ILE   6           HN       ILE   6  30.623  -1.584  -1.778
   33    HA   ILE   6           HA       ILE   6  30.647   0.887  -3.374
   34    HB   ILE   6           HB       ILE   6  30.285  -1.968  -4.300
   35   1HG1  ILE   6          HG12      ILE   6  32.646  -0.095  -4.597
   36   2HG1  ILE   6          HG11      ILE   6  32.571  -1.468  -3.498
   37   1HG2  ILE   6          HG21      ILE   6  31.017  -0.090  -6.347
   38   2HG2  ILE   6          HG22      ILE   6  29.539   0.433  -5.538
   39   3HG2  ILE   6          HG23      ILE   6  29.625  -1.171  -6.267
   40   1HD1  ILE   6          HD11      ILE   6  31.949  -2.344  -6.143
   41   2HD1  ILE   6          HD12      ILE   6  33.286  -2.817  -5.094
   42   3HD1  ILE   6          HD13      ILE   6  33.453  -1.422  -6.161
   43    H    ASP   7           HN       ASP   7  28.799   1.938  -3.648
   44    HA   ASP   7           HA       ASP   7  26.303   0.724  -2.814
   45   1HB   ASP   7          HB2       ASP   7  25.358   2.983  -3.164
   46   2HB   ASP   7          HB1       ASP   7  26.765   3.005  -2.106
   47    H    ASP   8           HN       ASP   8  27.464  -0.420  -5.143
   48    HA   ASP   8           HA       ASP   8  25.428   0.307  -7.143
   49   1HB   ASP   8          HB2       ASP   8  28.282  -0.565  -7.639
   50   2HB   ASP   8          HB1       ASP   8  27.063  -0.384  -8.896
   51    H    ASP   9           HN       ASP   9  25.816  -1.879  -4.950
   52    HA   ASP   9           HA       ASP   9  24.624  -3.973  -6.536
   53   1HB   ASP   9          HB2       ASP   9  27.036  -4.404  -6.840
   54   2HB   ASP   9          HB1       ASP   9  27.226  -4.517  -5.093
   55    H    ASP  10           HN       ASP  10  26.381  -4.447  -3.513
   56    HA   ASP  10           HA       ASP  10  24.032  -5.465  -2.238
   57   1HB   ASP  10          HB2       ASP  10  26.234  -6.453  -1.858
   58   2HB   ASP  10          HB1       ASP  10  26.811  -4.935  -1.187
   59    H    LYS  11           HN       LYS  11  25.851  -2.493  -2.139
   60    HA   LYS  11           HA       LYS  11  24.383  -1.489   0.152
   61   1HB   LYS  11          HB2       LYS  11  26.380  -0.088  -1.632
   62   2HB   LYS  11          HB1       LYS  11  25.756   0.519  -0.105
   63   1HG   LYS  11          HG2       LYS  11  27.444  -1.947  -0.473
   64   2HG   LYS  11          HG1       LYS  11  27.993  -0.393   0.151
   65   1HD   LYS  11          HD2       LYS  11  25.835  -2.063   1.434
   66   2HD   LYS  11          HD1       LYS  11  27.533  -2.115   1.905
   67   1HE   LYS  11          HE2       LYS  11  26.381  -0.663   3.419
   68   2HE   LYS  11          HE1       LYS  11  27.407   0.326   2.383
   69   1HZ   LYS  11          HZ1       LYS  11  24.842   0.850   2.860
   70   2HZ   LYS  11          HZ2       LYS  11  24.689  -0.069   1.448
   71   3HZ   LYS  11          HZ3       LYS  11  25.643   1.328   1.448
   72    H    HIS  12           HN       HIS  12  23.909  -1.701  -3.150
   73    HA   HIS  12           HA       HIS  12  22.428   0.781  -3.431
   74   1HB   HIS  12          HB2       HIS  12  23.807  -0.164  -5.293
   75   2HB   HIS  12          HB1       HIS  12  22.690  -1.519  -5.381
   76    HD1  HIS  12           HD1      HIS  12  22.673  -0.367  -7.935
   77    HD2  HIS  12           HD2      HIS  12  20.564   1.528  -4.897
   78    HE1  HIS  12           HE1      HIS  12  21.024   1.136  -9.096
   79    HE2  HIS  12           HE2      HIS  12  19.697   2.200  -7.238
   80    H    MET  13           HN       MET  13  21.781  -2.699  -3.318
   81    HA   MET  13           HA       MET  13  19.005  -2.567  -3.741
   82   1HB   MET  13          HB2       MET  13  20.337  -4.639  -3.916
   83   2HB   MET  13          HB1       MET  13  20.579  -4.621  -2.175
   84   1HG   MET  13          HG2       MET  13  18.184  -4.884  -1.829
   85   2HG   MET  13          HG1       MET  13  17.926  -4.876  -3.572
   86   1HE   MET  13          HE1       MET  13  16.526  -6.691  -2.616
   87   2HE   MET  13          HE2       MET  13  17.132  -8.075  -1.705
   88   3HE   MET  13          HE3       MET  13  16.962  -8.179  -3.457
   89    H    ALA  14           HN       ALA  14  20.908  -1.692  -1.045
   90    HA   ALA  14           HA       ALA  14  18.768  -1.997   0.892
   91   1HB   ALA  14          HB1       ALA  14  20.328  -1.631   2.508
   92   2HB   ALA  14          HB2       ALA  14  21.211  -0.447   1.544
   93   3HB   ALA  14          HB3       ALA  14  21.399  -2.169   1.214
   94    H    GLU  15           HN       GLU  15  19.931   0.375  -1.283
   95    HA   GLU  15           HA       GLU  15  18.233   2.412   0.004
   96   1HB   GLU  15          HB2       GLU  15  20.749   2.838  -1.615
   97   2HB   GLU  15          HB1       GLU  15  19.721   4.119  -0.986
   98   1HG   GLU  15          HG2       GLU  15  20.207   3.385   1.295
   99   2HG   GLU  15          HG1       GLU  15  21.245   2.110   0.660
  100    H    ARG  16           HN       ARG  16  17.976   0.301  -2.265
  101    HA   ARG  16           HA       ARG  16  17.665   1.527  -4.720
  102   1HB   ARG  16          HB2       ARG  16  15.932  -0.282  -5.153
  103   2HB   ARG  16          HB1       ARG  16  17.532  -0.822  -4.673
  104   1HG   ARG  16          HG2       ARG  16  15.985  -2.162  -3.504
  105   2HG   ARG  16          HG1       ARG  16  16.649  -1.027  -2.330
  106   1HD   ARG  16          HD2       ARG  16  14.661   0.362  -2.524
  107   2HD   ARG  16          HD1       ARG  16  14.005  -0.721  -3.751
  108    HE   ARG  16           HE       ARG  16  14.559  -2.201  -1.432
  109   1HH1  ARG  16          HH11      ARG  16  12.360   0.249  -2.577
  110   2HH1  ARG  16          HH12      ARG  16  11.080  -0.220  -1.508
  111   1HH2  ARG  16          HH21      ARG  16  12.878  -2.825  -0.026
  112   2HH2  ARG  16          HH22      ARG  16  11.374  -1.965  -0.059
  113    H    LEU  17           HN       LEU  17  15.645   2.022  -5.884
  114    HA   LEU  17           HA       LEU  17  14.271   4.132  -4.681
  115   1HB   LEU  17          HB2       LEU  17  13.363   2.483  -7.041
  116   2HB   LEU  17          HB1       LEU  17  12.834   4.106  -6.641
  117    HG   LEU  17           HG       LEU  17  15.619   3.311  -7.494
  118   1HD1  LEU  17          HD11      LEU  17  15.169   4.312  -9.556
  119   2HD1  LEU  17          HD12      LEU  17  13.711   5.103  -8.957
  120   3HD1  LEU  17          HD13      LEU  17  13.727   3.357  -9.209
  121   1HD2  LEU  17          HD21      LEU  17  16.183   5.133  -6.298
  122   2HD2  LEU  17          HD22      LEU  17  14.532   5.750  -6.257
  123   3HD2  LEU  17          HD23      LEU  17  15.533   6.005  -7.687
  124    H    SER  18           HN       SER  18  12.470   4.293  -3.500
  125    HA   SER  18           HA       SER  18  10.714   1.953  -3.245
  126   1HB   SER  18          HB2       SER  18  12.223   1.926  -1.312
  127   2HB   SER  18          HB1       SER  18  11.789   3.593  -0.936
  128    HG   SER  18           HG       SER  18  10.474   1.285  -0.354
  129    H    GLU  19           HN       GLU  19   9.171   2.986  -4.528
  130    HA   GLU  19           HA       GLU  19   8.217   5.621  -3.852
  131   1HB   GLU  19          HB2       GLU  19   7.107   3.576  -5.783
  132   2HB   GLU  19          HB1       GLU  19   6.602   5.257  -5.669
  133   1HG   GLU  19          HG2       GLU  19   9.354   4.297  -6.424
  134   2HG   GLU  19          HG1       GLU  19   8.121   4.883  -7.540
  135    H    GLU  20           HN       GLU  20   7.662   2.553  -2.635
  136    HA   GLU  20           HA       GLU  20   4.879   2.634  -2.133
  137   1HB   GLU  20          HB2       GLU  20   5.324   0.857  -0.498
  138   2HB   GLU  20          HB1       GLU  20   6.144   0.554  -2.022
  139   1HG   GLU  20          HG2       GLU  20   8.237   1.363  -1.063
  140   2HG   GLU  20          HG1       GLU  20   7.415   1.678   0.464
  141    H    GLU  21           HN       GLU  21   7.458   4.379  -0.798
  142    HA   GLU  21           HA       GLU  21   5.782   5.175   1.494
  143   1HB   GLU  21          HB2       GLU  21   7.801   3.888   2.158
  144   2HB   GLU  21          HB1       GLU  21   8.804   5.107   1.387
  145   1HG   GLU  21          HG2       GLU  21   7.969   6.785   2.954
  146   2HG   GLU  21          HG1       GLU  21   6.964   5.560   3.726
  147    H    ILE  22           HN       ILE  22   6.885   6.167  -1.414
  148    HA   ILE  22           HA       ILE  22   7.475   8.914  -0.615
  149    HB   ILE  22           HB       ILE  22   7.587   7.617  -3.338
  150   1HG1  ILE  22          HG12      ILE  22   9.301   6.784  -1.789
  151   2HG1  ILE  22          HG11      ILE  22  10.022   7.766  -3.059
  152   1HG2  ILE  22          HG21      ILE  22   7.201  10.241  -2.933
  153   2HG2  ILE  22          HG22      ILE  22   8.145   9.596  -4.275
  154   3HG2  ILE  22          HG23      ILE  22   8.960  10.179  -2.823
  155   1HD1  ILE  22          HD11      ILE  22   9.549   8.529  -0.192
  156   2HD1  ILE  22          HD12      ILE  22  10.034   9.676  -1.440
  157   3HD1  ILE  22          HD13      ILE  22  11.092   8.328  -1.023
  158    H    GLY  23           HN       GLY  23   5.051   7.069  -2.418
  159   1HA   GLY  23          HA2       GLY  23   3.594   9.534  -3.013
  160   2HA   GLY  23          HA1       GLY  23   3.240   7.942  -3.658
  161    H    GLY  24           HN       GLY  24   2.938   6.402  -1.462
  162   1HA   GLY  24          HA2       GLY  24   0.324   6.924  -0.670
  163   2HA   GLY  24          HA1       GLY  24   1.407   5.799   0.127
  164    H    LEU  25           HN       LEU  25   3.111   8.456   0.460
  165    HA   LEU  25           HA       LEU  25   2.027   8.938   3.102
  166   1HB   LEU  25          HB2       LEU  25   4.598   9.607   1.739
  167   2HB   LEU  25          HB1       LEU  25   4.134  10.477   3.188
  168    HG   LEU  25           HG       LEU  25   5.650   8.590   3.662
  169   1HD1  LEU  25          HD11      LEU  25   4.678   8.313   5.649
  170   2HD1  LEU  25          HD12      LEU  25   3.246   7.566   4.939
  171   3HD1  LEU  25          HD13      LEU  25   3.375   9.323   5.022
  172   1HD2  LEU  25          HD21      LEU  25   3.409   6.725   2.962
  173   2HD2  LEU  25          HD22      LEU  25   5.108   6.359   3.261
  174   3HD2  LEU  25          HD23      LEU  25   4.631   7.176   1.773
  175    H    LYS  26           HN       LYS  26   3.118  11.068   0.440
  176    HA   LYS  26           HA       LYS  26   1.575  13.226   1.609
  177   1HB   LYS  26          HB2       LYS  26   3.418  13.216  -0.769
  178   2HB   LYS  26          HB1       LYS  26   2.709  14.645  -0.027
  179   1HG   LYS  26          HG2       LYS  26   3.898  14.163   2.052
  180   2HG   LYS  26          HG1       LYS  26   4.607  12.727   1.312
  181   1HD   LYS  26          HD2       LYS  26   5.704  14.139  -0.365
  182   2HD   LYS  26          HD1       LYS  26   5.000  15.573   0.387
  183   1HE   LYS  26          HE2       LYS  26   6.890  13.640   1.727
  184   2HE   LYS  26          HE1       LYS  26   7.338  15.212   1.066
  185   1HZ   LYS  26          HZ1       LYS  26   5.538  16.095   2.643
  186   2HZ   LYS  26          HZ2       LYS  26   7.024  15.632   3.304
  187   3HZ   LYS  26          HZ3       LYS  26   5.686  14.605   3.433
  188    H    GLU  27           HN       GLU  27   1.918  12.272  -1.828
  189    HA   GLU  27           HA       GLU  27  -0.641  13.506  -2.385
  190   1HB   GLU  27          HB2       GLU  27   1.268  12.139  -4.256
  191   2HB   GLU  27          HB1       GLU  27  -0.047  13.218  -4.705
  192   1HG   GLU  27          HG2       GLU  27   1.067  15.069  -3.576
  193   2HG   GLU  27          HG1       GLU  27   2.381  13.994  -3.101
  194    H    LEU  28           HN       LEU  28   0.678  10.479  -3.647
  195    HA   LEU  28           HA       LEU  28  -1.441   9.377  -4.788
  196   1HB   LEU  28          HB2       LEU  28   0.724   8.062  -3.209
  197   2HB   LEU  28          HB1       LEU  28  -0.532   7.099  -3.962
  198    HG   LEU  28           HG       LEU  28   0.088   8.038  -6.164
  199   1HD1  LEU  28          HD11      LEU  28   2.677   9.024  -5.577
  200   2HD1  LEU  28          HD12      LEU  28   1.521   9.903  -4.577
  201   3HD1  LEU  28          HD13      LEU  28   1.322   9.867  -6.328
  202   1HD2  LEU  28          HD21      LEU  28   2.370   6.779  -4.648
  203   2HD2  LEU  28          HD22      LEU  28   2.189   6.820  -6.402
  204   3HD2  LEU  28          HD23      LEU  28   1.035   5.921  -5.418
  205    H    PHE  29           HN       PHE  29  -0.758   8.444  -1.412
  206    HA   PHE  29           HA       PHE  29  -3.292   7.179  -1.157
  207   1HB   PHE  29          HB2       PHE  29  -1.008   6.931   0.187
  208   2HB   PHE  29          HB1       PHE  29  -1.843   8.020   1.288
  209    HD1  PHE  29           HD1      PHE  29  -2.555   4.923  -0.665
  210    HD2  PHE  29           HD2      PHE  29  -3.037   7.059   2.982
  211    HE1  PHE  29           HE1      PHE  29  -3.763   3.008   0.291
  212    HE2  PHE  29           HE2      PHE  29  -4.245   5.148   3.945
  213    HZ   PHE  29           HZ       PHE  29  -4.610   3.117   2.600
  214    H    LYS  30           HN       LYS  30  -2.042  10.101   0.462
  215    HA   LYS  30           HA       LYS  30  -4.265  10.872   1.843
  216   1HB   LYS  30          HB2       LYS  30  -2.339  12.679   0.380
  217   2HB   LYS  30          HB1       LYS  30  -3.440  13.194   1.648
  218   1HG   LYS  30          HG2       LYS  30  -1.326  11.100   2.059
  219   2HG   LYS  30          HG1       LYS  30  -1.059  12.820   2.342
  220   1HD   LYS  30          HD2       LYS  30  -2.936  12.806   3.955
  221   2HD   LYS  30          HD1       LYS  30  -3.091  11.064   3.715
  222   1HE   LYS  30          HE2       LYS  30  -0.848  10.714   4.555
  223   2HE   LYS  30          HE1       LYS  30  -0.604  12.454   4.702
  224   1HZ   LYS  30          HZ1       LYS  30  -1.891  10.643   6.500
  225   2HZ   LYS  30          HZ2       LYS  30  -2.875  11.969   6.133
  226   3HZ   LYS  30          HZ3       LYS  30  -1.331  12.216   6.775
  227    H    MET  31           HN       MET  31  -3.844  11.023  -1.615
  228    HA   MET  31           HA       MET  31  -6.095  12.829  -1.947
  229   1HB   MET  31          HB2       MET  31  -4.149  13.105  -3.387
  230   2HB   MET  31          HB1       MET  31  -4.348  11.469  -3.998
  231   1HG   MET  31          HG2       MET  31  -6.477  12.078  -4.993
  232   2HG   MET  31          HG1       MET  31  -6.330  13.708  -4.340
  233   1HE   MET  31          HE1       MET  31  -4.197  15.628  -5.907
  234   2HE   MET  31          HE2       MET  31  -2.829  14.518  -5.821
  235   3HE   MET  31          HE3       MET  31  -3.926  14.674  -4.449
  236    H    ILE  32           HN       ILE  32  -5.520   9.421  -1.987
  237    HA   ILE  32           HA       ILE  32  -7.975   8.893  -3.461
  238    HB   ILE  32           HB       ILE  32  -5.936   7.543  -3.902
  239   1HG1  ILE  32          HG12      ILE  32  -8.300   6.699  -4.288
  240   2HG1  ILE  32          HG11      ILE  32  -7.052   5.466  -4.167
  241   1HG2  ILE  32          HG21      ILE  32  -6.378   6.604  -1.081
  242   2HG2  ILE  32          HG22      ILE  32  -4.944   7.377  -1.758
  243   3HG2  ILE  32          HG23      ILE  32  -5.381   5.741  -2.252
  244   1HD1  ILE  32          HD11      ILE  32  -8.291   4.455  -2.644
  245   2HD1  ILE  32          HD12      ILE  32  -9.439   5.794  -2.631
  246   3HD1  ILE  32          HD13      ILE  32  -8.030   5.831  -1.570
  247    H    ASP  33           HN       ASP  33  -6.664   8.530  -0.204
  248    HA   ASP  33           HA       ASP  33  -8.706   7.076   0.967
  249   1HB   ASP  33          HB2       ASP  33  -6.618   7.623   2.130
  250   2HB   ASP  33          HB1       ASP  33  -7.088   9.319   2.198
  251    H    THR  34           HN       THR  34 -10.776   7.461   1.351
  252    HA   THR  34           HA       THR  34 -12.090   9.771   0.445
  253    HB   THR  34           HB       THR  34 -13.061   7.673   2.400
  254    HG1  THR  34           HG1      THR  34 -14.141   7.056   0.277
  255   1HG2  THR  34          HG21      THR  34 -14.430   9.927   1.086
  256   2HG2  THR  34          HG22      THR  34 -14.787   9.102   2.603
  257   3HG2  THR  34          HG23      THR  34 -15.265   8.373   1.070
  258    H    ASP  35           HN       ASP  35 -10.373   9.134   3.277
  259    HA   ASP  35           HA       ASP  35 -11.667  11.320   4.725
  260   1HB   ASP  35          HB2       ASP  35  -9.909   9.060   5.629
  261   2HB   ASP  35          HB1       ASP  35 -10.272  10.436   6.658
  262    H    ASN  36           HN       ASN  36  -8.921  10.619   2.878
  263    HA   ASN  36           HA       ASN  36  -6.959  11.719   2.503
  264   1HB   ASN  36          HB2       ASN  36  -8.521  14.081   3.581
  265   2HB   ASN  36          HB1       ASN  36  -7.054  14.169   2.612
  266   1HD2  ASN  36          HD21      ASN  36 -10.279  14.490   2.485
  267   2HD2  ASN  36          HD22      ASN  36 -10.562  14.119   0.822
  268    H    SER  37           HN       SER  37  -7.754  10.687   5.287
  269    HA   SER  37           HA       SER  37  -6.212  12.318   7.097
  270   1HB   SER  37          HB2       SER  37  -6.678  10.475   8.718
  271   2HB   SER  37          HB1       SER  37  -8.139  11.117   7.967
  272    HG   SER  37           HG       SER  37  -7.247   9.146   6.439
  273    H    GLY  38           HN       GLY  38  -5.665   9.806   4.888
  274   1HA   GLY  38          HA2       GLY  38  -3.383   9.350   4.211
  275   2HA   GLY  38          HA1       GLY  38  -2.891   9.556   5.884
  276    H    THR  39           HN       THR  39  -5.699   7.876   5.970
  277    HA   THR  39           HA       THR  39  -4.465   5.254   5.558
  278    HB   THR  39           HB       THR  39  -5.380   4.459   7.723
  279    HG1  THR  39           HG1      THR  39  -5.669   7.076   8.621
  280   1HG2  THR  39          HG21      THR  39  -3.078   5.042   7.792
  281   2HG2  THR  39          HG22      THR  39  -3.840   5.678   9.250
  282   3HG2  THR  39          HG23      THR  39  -3.458   6.760   7.910
  283    H    ILE  40           HN       ILE  40  -5.818   3.846   4.598
  284    HA   ILE  40           HA       ILE  40  -8.606   4.726   4.265
  285    HB   ILE  40           HB       ILE  40  -6.859   2.912   2.603
  286   1HG1  ILE  40          HG12      ILE  40  -8.464   5.329   1.790
  287   2HG1  ILE  40          HG11      ILE  40  -6.800   5.447   2.360
  288   1HG2  ILE  40          HG21      ILE  40  -8.993   2.858   1.115
  289   2HG2  ILE  40          HG22      ILE  40  -9.836   3.175   2.631
  290   3HG2  ILE  40          HG23      ILE  40  -8.839   1.730   2.461
  291   1HD1  ILE  40          HD11      ILE  40  -6.179   5.179   0.251
  292   2HD1  ILE  40          HD12      ILE  40  -7.817   4.746  -0.242
  293   3HD1  ILE  40          HD13      ILE  40  -6.726   3.507   0.378
  294    H    THR  41           HN       THR  41 -10.316   3.401   4.782
  295    HA   THR  41           HA       THR  41  -9.623   0.890   6.151
  296    HB   THR  41           HB       THR  41 -10.459   2.356   7.797
  297    HG1  THR  41           HG1      THR  41 -11.495   0.603   8.321
  298   1HG2  THR  41          HG21      THR  41 -12.536   3.567   7.679
  299   2HG2  THR  41          HG22      THR  41 -12.839   2.940   6.059
  300   3HG2  THR  41          HG23      THR  41 -11.491   4.041   6.340
  301    H    PHE  42           HN       PHE  42 -11.373  -0.674   6.221
  302    HA   PHE  42           HA       PHE  42 -12.036  -1.834   3.924
  303   1HB   PHE  42          HB2       PHE  42 -12.419  -2.918   6.018
  304   2HB   PHE  42          HB1       PHE  42 -13.622  -1.724   6.487
  305    HD1  PHE  42           HD1      PHE  42 -13.097  -3.887   3.492
  306    HD2  PHE  42           HD2      PHE  42 -15.709  -2.598   6.587
  307    HE1  PHE  42           HE1      PHE  42 -14.872  -5.314   2.583
  308    HE2  PHE  42           HE2      PHE  42 -17.490  -4.023   5.686
  309    HZ   PHE  42           HZ       PHE  42 -17.079  -5.391   3.677
  310    H    ASP  43           HN       ASP  43 -14.432   0.182   5.656
  311    HA   ASP  43           HA       ASP  43 -16.402   0.195   3.730
  312   1HB   ASP  43          HB2       ASP  43 -16.669   1.111   6.010
  313   2HB   ASP  43          HB1       ASP  43 -15.667   2.487   5.564
  314    H    GLU  44           HN       GLU  44 -13.555   2.252   3.959
  315    HA   GLU  44           HA       GLU  44 -14.314   3.761   1.590
  316   1HB   GLU  44          HB2       GLU  44 -11.779   3.919   3.231
  317   2HB   GLU  44          HB1       GLU  44 -12.340   5.093   2.047
  318   1HG   GLU  44          HG2       GLU  44 -14.197   5.694   3.430
  319   2HG   GLU  44          HG1       GLU  44 -13.823   4.403   4.569
  320    H    LEU  45           HN       LEU  45 -12.633   0.938   2.341
  321    HA   LEU  45           HA       LEU  45 -10.674   1.005   0.295
  322   1HB   LEU  45          HB2       LEU  45 -10.497  -0.429   2.296
  323   2HB   LEU  45          HB1       LEU  45 -11.841  -1.388   1.701
  324    HG   LEU  45           HG       LEU  45 -10.483  -1.957  -0.310
  325   1HD1  LEU  45          HD11      LEU  45  -8.114  -1.512  -0.328
  326   2HD1  LEU  45          HD12      LEU  45  -8.226  -0.672   1.218
  327   3HD1  LEU  45          HD13      LEU  45  -8.997   0.011  -0.214
  328   1HD2  LEU  45          HD21      LEU  45 -10.211  -2.905   2.355
  329   2HD2  LEU  45          HD22      LEU  45  -8.640  -3.000   1.560
  330   3HD2  LEU  45          HD23      LEU  45 -10.042  -3.792   0.841
  331    H    LYS  46           HN       LYS  46 -13.809  -0.610   0.627
  332    HA   LYS  46           HA       LYS  46 -13.886  -1.845  -1.873
  333   1HB   LYS  46          HB2       LYS  46 -16.341  -1.955  -1.504
  334   2HB   LYS  46          HB1       LYS  46 -15.405  -2.502  -0.120
  335   1HG   LYS  46          HG2       LYS  46 -15.751  -0.334   0.964
  336   2HG   LYS  46          HG1       LYS  46 -16.715   0.192  -0.417
  337   1HD   LYS  46          HD2       LYS  46 -18.328  -1.579   0.012
  338   2HD   LYS  46          HD1       LYS  46 -17.348  -2.164   1.359
  339   1HE   LYS  46          HE2       LYS  46 -17.669  -0.029   2.513
  340   2HE   LYS  46          HE1       LYS  46 -18.653   0.550   1.170
  341   1HZ   LYS  46          HZ1       LYS  46 -19.786  -0.451   3.249
  342   2HZ   LYS  46          HZ2       LYS  46 -19.392  -1.940   2.552
  343   3HZ   LYS  46          HZ3       LYS  46 -20.376  -0.850   1.714
  344    H    ASP  47           HN       ASP  47 -14.338   1.452  -0.982
  345    HA   ASP  47           HA       ASP  47 -16.007   2.389  -2.997
  346   1HB   ASP  47          HB2       ASP  47 -15.308   3.780  -1.108
  347   2HB   ASP  47          HB1       ASP  47 -13.649   3.773  -1.698
  348    H    GLY  48           HN       GLY  48 -12.880   1.084  -3.177
  349   1HA   GLY  48          HA2       GLY  48 -11.954   2.430  -5.520
  350   2HA   GLY  48          HA1       GLY  48 -11.325   0.918  -4.875
  351    H    LEU  49           HN       LEU  49 -13.464  -0.723  -4.945
  352    HA   LEU  49           HA       LEU  49 -13.825  -1.117  -7.809
  353   1HB   LEU  49          HB2       LEU  49 -14.499  -2.868  -5.438
  354   2HB   LEU  49          HB1       LEU  49 -14.816  -3.306  -7.104
  355    HG   LEU  49           HG       LEU  49 -12.837  -4.441  -6.395
  356   1HD1  LEU  49          HD11      LEU  49 -12.744  -3.744  -8.666
  357   2HD1  LEU  49          HD12      LEU  49 -11.147  -3.484  -7.964
  358   3HD1  LEU  49          HD13      LEU  49 -12.235  -2.118  -8.209
  359   1HD2  LEU  49          HD21      LEU  49 -11.791  -1.732  -5.586
  360   2HD2  LEU  49          HD22      LEU  49 -10.832  -3.212  -5.635
  361   3HD2  LEU  49          HD23      LEU  49 -12.189  -3.077  -4.517
  362    H    LYS  50           HN       LYS  50 -15.427   0.221  -5.169
  363    HA   LYS  50           HA       LYS  50 -18.113  -0.356  -5.954
  364   1HB   LYS  50          HB2       LYS  50 -17.591   0.151  -3.626
  365   2HB   LYS  50          HB1       LYS  50 -17.020   1.750  -4.083
  366   1HG   LYS  50          HG2       LYS  50 -19.269   2.354  -4.809
  367   2HG   LYS  50          HG1       LYS  50 -19.846   0.746  -4.368
  368   1HD   LYS  50          HD2       LYS  50 -19.236   1.164  -2.037
  369   2HD   LYS  50          HD1       LYS  50 -18.640   2.766  -2.476
  370   1HE   LYS  50          HE2       LYS  50 -20.881   3.409  -3.198
  371   2HE   LYS  50          HE1       LYS  50 -21.482   1.802  -2.792
  372   1HZ   LYS  50          HZ1       LYS  50 -20.210   2.741  -0.528
  373   2HZ   LYS  50          HZ2       LYS  50 -21.876   2.574  -0.768
  374   3HZ   LYS  50          HZ3       LYS  50 -21.118   4.047  -1.106
  375    H    ARG  51           HN       ARG  51 -15.849   2.289  -6.418
  376    HA   ARG  51           HA       ARG  51 -17.404   4.292  -7.415
  377   1HB   ARG  51          HB2       ARG  51 -14.967   4.457  -7.167
  378   2HB   ARG  51          HB1       ARG  51 -14.750   3.389  -8.548
  379   1HG   ARG  51          HG2       ARG  51 -15.803   5.038 -10.002
  380   2HG   ARG  51          HG1       ARG  51 -16.044   6.109  -8.620
  381   1HD   ARG  51          HD2       ARG  51 -14.090   6.792  -9.884
  382   2HD   ARG  51          HD1       ARG  51 -13.613   6.208  -8.291
  383    HE   ARG  51           HE       ARG  51 -13.467   4.067 -10.077
  384   1HH1  ARG  51          HH11      ARG  51 -11.903   7.127  -9.499
  385   2HH1  ARG  51          HH12      ARG  51 -10.384   6.622 -10.160
  386   1HH2  ARG  51          HH21      ARG  51 -11.469   3.393 -10.948
  387   2HH2  ARG  51          HH22      ARG  51 -10.137   4.499 -10.982
  388    H    VAL  52           HN       VAL  52 -16.431   1.352  -9.117
  389    HA   VAL  52           HA       VAL  52 -17.789   2.218 -11.542
  390    HB   VAL  52           HB       VAL  52 -17.021   0.097 -12.519
  391   1HG1  VAL  52          HG11      VAL  52 -14.741   0.672 -12.695
  392   2HG1  VAL  52          HG12      VAL  52 -14.719   1.396 -11.086
  393   3HG1  VAL  52          HG13      VAL  52 -15.592   2.188 -12.398
  394   1HG2  VAL  52          HG21      VAL  52 -17.011  -0.911 -10.022
  395   2HG2  VAL  52          HG22      VAL  52 -15.296  -0.554 -10.216
  396   3HG2  VAL  52          HG23      VAL  52 -16.111  -1.618 -11.362
  397    H    GLY  53           HN       GLY  53 -18.280   0.076  -8.832
  398   1HA   GLY  53          HA2       GLY  53 -20.002  -1.342  -8.264
  399   2HA   GLY  53          HA1       GLY  53 -20.997  -0.046  -8.906
  400    H    SER  54           HN       SER  54 -18.833  -2.392 -10.502
  401    HA   SER  54           HA       SER  54 -20.814  -2.866 -12.541
  402   1HB   SER  54          HB2       SER  54 -18.432  -2.809 -13.127
  403   2HB   SER  54          HB1       SER  54 -18.129  -4.186 -12.067
  404    HG   SER  54           HG       SER  54 -20.121  -4.618 -13.901
  405    H    GLU  55           HN       GLU  55 -18.940  -5.384 -10.922
  406    HA   GLU  55           HA       GLU  55 -21.330  -6.622  -9.839
  407   1HB   GLU  55          HB2       GLU  55 -21.160  -7.424 -12.213
  408   2HB   GLU  55          HB1       GLU  55 -19.601  -8.130 -11.812
  409   1HG   GLU  55          HG2       GLU  55 -20.673  -9.575 -10.165
  410   2HG   GLU  55          HG1       GLU  55 -22.237  -8.860 -10.553
  411    H    LEU  56           HN       LEU  56 -19.134  -5.440  -8.616
  412    HA   LEU  56           HA       LEU  56 -17.052  -7.163  -7.914
  413   1HB   LEU  56          HB2       LEU  56 -16.884  -5.702  -5.854
  414   2HB   LEU  56          HB1       LEU  56 -16.747  -4.896  -7.409
  415    HG   LEU  56           HG       LEU  56 -19.186  -4.265  -7.176
  416   1HD1  LEU  56          HD11      LEU  56 -19.714  -4.196  -4.563
  417   2HD1  LEU  56          HD12      LEU  56 -18.780  -5.691  -4.617
  418   3HD1  LEU  56          HD13      LEU  56 -20.229  -5.520  -5.608
  419   1HD2  LEU  56          HD21      LEU  56 -18.079  -2.382  -6.725
  420   2HD2  LEU  56          HD22      LEU  56 -16.877  -3.218  -5.741
  421   3HD2  LEU  56          HD23      LEU  56 -18.420  -2.740  -5.032
  422    H    MET  57           HN       MET  57 -16.720  -7.641  -5.461
  423    HA   MET  57           HA       MET  57 -19.087  -9.047  -4.433
  424   1HB   MET  57          HB2       MET  57 -17.526 -10.665  -5.438
  425   2HB   MET  57          HB1       MET  57 -16.229 -10.047  -4.426
  426   1HG   MET  57          HG2       MET  57 -17.428 -10.790  -2.433
  427   2HG   MET  57          HG1       MET  57 -18.730 -11.408  -3.447
  428   1HE   MET  57          HE1       MET  57 -18.134 -12.680  -5.518
  429   2HE   MET  57          HE2       MET  57 -17.651 -14.335  -5.148
  430   3HE   MET  57          HE3       MET  57 -16.494 -13.221  -5.877
  431    H    GLU  58           HN       GLU  58 -19.646  -7.881  -2.688
  432    HA   GLU  58           HA       GLU  58 -17.953  -6.239  -1.192
  433   1HB   GLU  58          HB2       GLU  58 -20.426  -6.087  -1.181
  434   2HB   GLU  58          HB1       GLU  58 -20.500  -7.587  -0.270
  435   1HG   GLU  58          HG2       GLU  58 -19.318  -6.532   1.582
  436   2HG   GLU  58          HG1       GLU  58 -19.218  -5.029   0.666
  437    H    SER  59           HN       SER  59 -18.138  -9.583  -1.319
  438    HA   SER  59           HA       SER  59 -17.194 -10.058   1.391
  439   1HB   SER  59          HB2       SER  59 -18.748 -11.671   0.394
  440   2HB   SER  59          HB1       SER  59 -17.612 -11.970  -0.921
  441    HG   SER  59           HG       SER  59 -16.124 -12.499   0.965
  442    H    GLU  60           HN       GLU  60 -15.947  -9.738  -1.829
  443    HA   GLU  60           HA       GLU  60 -13.420 -10.954  -1.390
  444   1HB   GLU  60          HB2       GLU  60 -14.338 -10.653  -3.638
  445   2HB   GLU  60          HB1       GLU  60 -14.283  -8.907  -3.442
  446   1HG   GLU  60          HG2       GLU  60 -11.851  -8.993  -3.294
  447   2HG   GLU  60          HG1       GLU  60 -11.900 -10.746  -3.477
  448    H    ILE  61           HN       ILE  61 -14.707  -7.728  -0.938
  449    HA   ILE  61           HA       ILE  61 -12.310  -6.306  -0.674
  450    HB   ILE  61           HB       ILE  61 -14.860  -5.747   0.843
  451   1HG1  ILE  61          HG12      ILE  61 -15.347  -6.022  -1.545
  452   2HG1  ILE  61          HG11      ILE  61 -15.493  -4.332  -1.071
  453   1HG2  ILE  61          HG21      ILE  61 -14.067  -3.637   1.232
  454   2HG2  ILE  61          HG22      ILE  61 -13.029  -3.644  -0.194
  455   3HG2  ILE  61          HG23      ILE  61 -12.551  -4.538   1.249
  456   1HD1  ILE  61          HD11      ILE  61 -12.851  -4.636  -1.913
  457   2HD1  ILE  61          HD12      ILE  61 -14.166  -3.830  -2.768
  458   3HD1  ILE  61          HD13      ILE  61 -13.827  -5.533  -3.076
  459    H    LYS  62           HN       LYS  62 -13.739  -8.658   1.357
  460    HA   LYS  62           HA       LYS  62 -12.575  -7.822   3.842
  461   1HB   LYS  62          HB2       LYS  62 -13.399 -10.631   3.127
  462   2HB   LYS  62          HB1       LYS  62 -13.387  -9.871   4.716
  463   1HG   LYS  62          HG2       LYS  62 -15.150  -9.011   2.455
  464   2HG   LYS  62          HG1       LYS  62 -15.642 -10.156   3.710
  465   1HD   LYS  62          HD2       LYS  62 -14.702  -7.334   4.223
  466   2HD   LYS  62          HD1       LYS  62 -16.392  -7.827   4.150
  467   1HE   LYS  62          HE2       LYS  62 -16.021  -9.359   6.026
  468   2HE   LYS  62          HE1       LYS  62 -14.332  -8.857   6.098
  469   1HZ   LYS  62          HZ1       LYS  62 -16.113  -6.628   6.192
  470   2HZ   LYS  62          HZ2       LYS  62 -14.875  -7.059   7.260
  471   3HZ   LYS  62          HZ3       LYS  62 -16.421  -7.719   7.448
  472    H    ASP  63           HN       ASP  63 -11.940 -10.683   1.819
  473    HA   ASP  63           HA       ASP  63  -9.449 -11.292   2.943
  474   1HB   ASP  63          HB2       ASP  63  -9.059 -12.623   0.893
  475   2HB   ASP  63          HB1       ASP  63 -10.670 -12.897   1.547
  476    H    LEU  64           HN       LEU  64 -10.501  -8.794   0.927
  477    HA   LEU  64           HA       LEU  64  -7.897  -8.226  -0.242
  478   1HB   LEU  64          HB2       LEU  64 -10.218  -7.844  -1.320
  479   2HB   LEU  64          HB1       LEU  64 -10.302  -6.421  -0.301
  480    HG   LEU  64           HG       LEU  64  -8.087  -6.896  -2.297
  481   1HD1  LEU  64          HD11      LEU  64 -10.493  -5.121  -2.639
  482   2HD1  LEU  64          HD12      LEU  64 -10.363  -6.737  -3.334
  483   3HD1  LEU  64          HD13      LEU  64  -9.232  -5.474  -3.820
  484   1HD2  LEU  64          HD21      LEU  64  -7.303  -5.328  -0.771
  485   2HD2  LEU  64          HD22      LEU  64  -8.897  -4.607  -0.543
  486   3HD2  LEU  64          HD23      LEU  64  -8.010  -4.330  -2.042
  487    H    MET  65           HN       MET  65  -9.967  -7.043   2.349
  488    HA   MET  65           HA       MET  65  -8.187  -4.830   2.956
  489   1HB   MET  65          HB2       MET  65 -10.709  -4.710   3.137
  490   2HB   MET  65          HB1       MET  65 -10.585  -5.765   4.536
  491   1HG   MET  65          HG2       MET  65  -9.218  -3.095   4.324
  492   2HG   MET  65          HG1       MET  65 -10.803  -3.335   5.052
  493   1HE   MET  65          HE1       MET  65 -11.047  -4.686   7.640
  494   2HE   MET  65          HE2       MET  65  -9.819  -5.931   7.872
  495   3HE   MET  65          HE3       MET  65 -10.750  -5.878   6.375
  496    H    ASP  66           HN       ASP  66  -9.461  -7.625   4.778
  497    HA   ASP  66           HA       ASP  66  -7.915  -7.438   7.035
  498   1HB   ASP  66          HB2       ASP  66  -9.737  -9.086   6.675
  499   2HB   ASP  66          HB1       ASP  66  -8.663 -10.011   5.632
  500    H    ALA  67           HN       ALA  67  -6.984  -8.758   3.900
  501    HA   ALA  67           HA       ALA  67  -4.360  -9.523   4.924
  502   1HB   ALA  67          HB1       ALA  67  -4.184 -10.916   3.159
  503   2HB   ALA  67          HB2       ALA  67  -4.915  -9.765   2.040
  504   3HB   ALA  67          HB3       ALA  67  -5.937 -10.726   3.109
  505    H    ALA  68           HN       ALA  68  -5.829  -6.835   3.512
  506    HA   ALA  68           HA       ALA  68  -3.835  -5.824   1.834
  507   1HB   ALA  68          HB1       ALA  68  -6.207  -4.778   3.177
  508   2HB   ALA  68          HB2       ALA  68  -5.602  -4.486   1.546
  509   3HB   ALA  68          HB3       ALA  68  -4.949  -3.573   2.906
  510    H    ASP  69           HN       ASP  69  -4.453  -4.943   5.245
  511    HA   ASP  69           HA       ASP  69  -1.694  -3.960   5.377
  512   1HB   ASP  69          HB2       ASP  69  -2.390  -2.647   7.311
  513   2HB   ASP  69          HB1       ASP  69  -3.431  -2.312   5.933
  514    H    ILE  70           HN       ILE  70  -0.240  -4.923   6.572
  515    HA   ILE  70           HA       ILE  70  -0.910  -7.344   8.010
  516    HB   ILE  70           HB       ILE  70   1.161  -6.841   6.472
  517   1HG1  ILE  70          HG12      ILE  70   0.681  -8.966   7.728
  518   2HG1  ILE  70          HG11      ILE  70   2.389  -8.626   7.489
  519   1HG2  ILE  70          HG21      ILE  70   1.985  -4.909   7.644
  520   2HG2  ILE  70          HG22      ILE  70   3.170  -6.209   7.762
  521   3HG2  ILE  70          HG23      ILE  70   2.135  -5.832   9.139
  522   1HD1  ILE  70          HD11      ILE  70   2.236  -9.402   9.675
  523   2HD1  ILE  70          HD12      ILE  70   0.778  -8.466  10.005
  524   3HD1  ILE  70          HD13      ILE  70   2.333  -7.649   9.847
  525    H    ASP  71           HN       ASP  71  -0.628  -4.074   8.625
  526    HA   ASP  71           HA       ASP  71   0.417  -4.068  11.264
  527   1HB   ASP  71          HB2       ASP  71   0.356  -2.072   9.810
  528   2HB   ASP  71          HB1       ASP  71  -1.401  -2.085   9.873
  529    H    LYS  72           HN       LYS  72  -2.494  -5.192   9.988
  530    HA   LYS  72           HA       LYS  72  -4.564  -5.655  10.831
  531   1HB   LYS  72          HB2       LYS  72  -2.592  -6.469  12.926
  532   2HB   LYS  72          HB1       LYS  72  -4.312  -6.690  13.211
  533   1HG   LYS  72          HG2       LYS  72  -3.014  -8.639  12.262
  534   2HG   LYS  72          HG1       LYS  72  -4.526  -8.228  11.468
  535   1HD   LYS  72          HD2       LYS  72  -3.250  -7.029   9.740
  536   2HD   LYS  72          HD1       LYS  72  -1.749  -7.479  10.549
  537   1HE   LYS  72          HE2       LYS  72  -3.770  -9.385   9.374
  538   2HE   LYS  72          HE1       LYS  72  -2.217  -8.954   8.658
  539   1HZ   LYS  72          HZ1       LYS  72  -2.800 -10.699  10.923
  540   2HZ   LYS  72          HZ2       LYS  72  -1.387  -9.774  11.014
  541   3HZ   LYS  72          HZ3       LYS  72  -1.615 -10.842   9.723
  542    H    SER  73           HN       SER  73  -3.715  -2.905  11.179
  543    HA   SER  73           HA       SER  73  -4.874  -2.148  13.757
  544   1HB   SER  73          HB2       SER  73  -4.143   0.126  13.212
  545   2HB   SER  73          HB1       SER  73  -2.811  -1.013  13.023
  546    HG   SER  73           HG       SER  73  -3.158   0.573  11.278
  547    H    GLY  74           HN       GLY  74  -6.055  -2.925  10.816
  548   1HA   GLY  74          HA2       GLY  74  -8.289  -2.761  10.142
  549   2HA   GLY  74          HA1       GLY  74  -8.525  -1.475  11.316
  550    H    THR  75           HN       THR  75  -5.826  -0.509   9.897
  551    HA   THR  75           HA       THR  75  -7.207   0.838   7.670
  552    HB   THR  75           HB       THR  75  -5.800   2.830   8.142
  553    HG1  THR  75           HG1      THR  75  -4.956   1.206  10.282
  554   1HG2  THR  75          HG21      THR  75  -7.007   2.509  10.771
  555   2HG2  THR  75          HG22      THR  75  -8.097   2.134   9.437
  556   3HG2  THR  75          HG23      THR  75  -7.310   3.710   9.517
  557    H    ILE  76           HN       ILE  76  -6.235   0.743   5.747
  558    HA   ILE  76           HA       ILE  76  -3.717  -0.691   5.537
  559    HB   ILE  76           HB       ILE  76  -5.535  -1.387   4.075
  560   1HG1  ILE  76          HG12      ILE  76  -3.291  -0.015   2.572
  561   2HG1  ILE  76          HG11      ILE  76  -3.240  -1.638   3.250
  562   1HG2  ILE  76          HG21      ILE  76  -5.638   1.504   3.483
  563   2HG2  ILE  76          HG22      ILE  76  -6.936   0.313   3.563
  564   3HG2  ILE  76          HG23      ILE  76  -5.921   0.415   2.125
  565   1HD1  ILE  76          HD11      ILE  76  -4.862  -0.653   0.926
  566   2HD1  ILE  76          HD12      ILE  76  -5.154  -2.205   1.711
  567   3HD1  ILE  76          HD13      ILE  76  -3.600  -1.886   0.939
  568    H    ASP  77           HN       ASP  77  -1.914   0.054   4.442
  569    HA   ASP  77           HA       ASP  77  -1.805   2.926   3.822
  570   1HB   ASP  77          HB2       ASP  77  -0.783   2.427   6.068
  571   2HB   ASP  77          HB1       ASP  77   0.383   1.395   5.250
  572    H    TYR  78           HN       TYR  78  -0.325   3.482   2.155
  573    HA   TYR  78           HA       TYR  78  -0.163   1.770   0.002
  574   1HB   TYR  78          HB2       TYR  78   0.252   4.291   0.062
  575   2HB   TYR  78          HB1       TYR  78   1.898   3.901   0.536
  576    HD1  TYR  78           HD1      TYR  78   3.167   4.598  -1.292
  577    HD2  TYR  78           HD2      TYR  78  -0.258   2.163  -1.952
  578    HE1  TYR  78           HE1      TYR  78   3.788   4.378  -3.659
  579    HE2  TYR  78           HE2      TYR  78   0.355   1.931  -4.320
  580    HH   TYR  78           HH       TYR  78   3.376   2.743  -5.526
  581    H    GLY  79           HN       GLY  79   2.245   2.302   2.539
  582   1HA   GLY  79          HA2       GLY  79   4.241   0.646   1.348
  583   2HA   GLY  79          HA1       GLY  79   4.236   1.238   3.000
  584    H    GLU  80           HN       GLU  80   1.529   0.000   3.431
  585    HA   GLU  80           HA       GLU  80   2.534  -2.625   4.168
  586   1HB   GLU  80          HB2       GLU  80  -0.114  -1.291   4.759
  587   2HB   GLU  80          HB1       GLU  80   0.425  -2.824   5.431
  588   1HG   GLU  80          HG2       GLU  80   2.283  -1.695   6.534
  589   2HG   GLU  80          HG1       GLU  80   1.755  -0.157   5.852
  590    H    PHE  81           HN       PHE  81   0.510  -1.193   1.789
  591    HA   PHE  81           HA       PHE  81  -1.090  -3.426   1.129
  592   1HB   PHE  81          HB2       PHE  81  -1.640  -1.137   0.423
  593   2HB   PHE  81          HB1       PHE  81  -0.213  -1.106  -0.607
  594    HD1  PHE  81           HD1      PHE  81  -0.870  -1.076  -2.801
  595    HD2  PHE  81           HD2      PHE  81  -2.888  -3.659  -0.087
  596    HE1  PHE  81           HE1      PHE  81  -2.190  -1.995  -4.663
  597    HE2  PHE  81           HE2      PHE  81  -4.210  -4.584  -1.944
  598    HZ   PHE  81           HZ       PHE  81  -3.862  -3.752  -4.236
  599    H    ILE  82           HN       ILE  82   2.131  -2.417   0.175
  600    HA   ILE  82           HA       ILE  82   2.344  -4.449  -1.877
  601    HB   ILE  82           HB       ILE  82   3.488  -2.309  -2.193
  602   1HG1  ILE  82          HG12      ILE  82   5.428  -4.606  -1.830
  603   2HG1  ILE  82          HG11      ILE  82   4.406  -4.352  -3.241
  604   1HG2  ILE  82          HG21      ILE  82   5.724  -2.634  -0.458
  605   2HG2  ILE  82          HG22      ILE  82   4.245  -2.684   0.502
  606   3HG2  ILE  82          HG23      ILE  82   4.571  -1.302  -0.543
  607   1HD1  ILE  82          HD11      ILE  82   6.512  -3.564  -3.861
  608   2HD1  ILE  82          HD12      ILE  82   6.757  -2.741  -2.321
  609   3HD1  ILE  82          HD13      ILE  82   5.588  -2.111  -3.481
  610    H    ALA  83           HN       ALA  83   3.180  -4.043   1.476
  611    HA   ALA  83           HA       ALA  83   5.182  -5.933   1.805
  612   1HB   ALA  83          HB1       ALA  83   3.119  -5.832   3.919
  613   2HB   ALA  83          HB2       ALA  83   3.879  -4.300   3.486
  614   3HB   ALA  83          HB3       ALA  83   4.870  -5.654   4.030
  615    H    ALA  84           HN       ALA  84   1.789  -6.367   1.221
  616    HA   ALA  84           HA       ALA  84   1.854  -9.188   1.916
  617   1HB   ALA  84          HB1       ALA  84  -0.564  -8.788   0.717
  618   2HB   ALA  84          HB2       ALA  84  -0.219  -7.192   1.381
  619   3HB   ALA  84          HB3       ALA  84  -0.245  -8.601   2.441
  620    H    THR  85           HN       THR  85   0.178  -7.938  -0.902
  621    HA   THR  85           HA       THR  85   2.053  -9.039  -2.786
  622    HB   THR  85           HB       THR  85  -0.647 -10.357  -2.421
  623    HG1  THR  85           HG1      THR  85   1.995 -11.324  -2.084
  624   1HG2  THR  85          HG21      THR  85  -0.496 -11.334  -4.408
  625   2HG2  THR  85          HG22      THR  85   1.232 -11.638  -4.227
  626   3HG2  THR  85          HG23      THR  85   0.668 -10.070  -4.805
  627    H    VAL  86           HN       VAL  86   1.718  -8.294  -4.864
  628    HA   VAL  86           HA       VAL  86  -0.260  -6.157  -5.108
  629    HB   VAL  86           HB       VAL  86   0.975  -5.495  -7.128
  630   1HG1  VAL  86          HG11      VAL  86   2.276  -5.747  -4.482
  631   2HG1  VAL  86          HG12      VAL  86   1.874  -4.308  -5.418
  632   3HG1  VAL  86          HG13      VAL  86   3.299  -5.260  -5.834
  633   1HG2  VAL  86          HG21      VAL  86   1.846  -7.389  -8.107
  634   2HG2  VAL  86          HG22      VAL  86   2.433  -8.041  -6.577
  635   3HG2  VAL  86          HG23      VAL  86   3.283  -6.702  -7.349
  636    H    HIS  87           HN       HIS  87  -0.661  -6.014  -7.797
  637    HA   HIS  87           HA       HIS  87  -2.445  -8.263  -8.235
  638   1HB   HIS  87          HB2       HIS  87  -2.028  -5.717  -9.817
  639   2HB   HIS  87          HB1       HIS  87  -3.248  -6.933 -10.174
  640    HD1  HIS  87           HD1      HIS  87  -4.554  -4.430  -9.767
  641    HD2  HIS  87           HD2      HIS  87  -3.356  -6.675  -6.482
  642    HE1  HIS  87           HE1      HIS  87  -5.952  -3.609  -7.845
  643    HE2  HIS  87           HE2      HIS  87  -5.287  -5.059  -5.896
  Start of MODEL   12
    1   1H    HIS   1           HT1      HIS   1 -28.048 -15.465   1.951
    2   2H    HIS   1           HT2      HIS   1 -29.475 -15.662   2.837
    3   3H    HIS   1           HT3      HIS   1 -28.433 -14.378   3.189
    4    HA   HIS   1           HA       HIS   1 -28.968 -14.056   0.540
    5   1HB   HIS   1          HB2       HIS   1 -31.453 -14.870   2.066
    6   2HB   HIS   1          HB1       HIS   1 -31.460 -14.105   0.480
    7    HD1  HIS   1           HD1      HIS   1 -29.759 -15.605  -1.272
    8    HD2  HIS   1           HD2      HIS   1 -31.760 -17.533   1.818
    9    HE1  HIS   1           HE1      HIS   1 -29.838 -18.030  -1.933
   10    HE2  HIS   1           HE2      HIS   1 -31.092 -19.172  -0.069
   11    H    SER   2           HN       SER   2 -28.240 -12.020   0.867
   12    HA   SER   2           HA       SER   2 -29.638 -10.343   2.834
   13   1HB   SER   2          HB2       SER   2 -26.981  -9.887   1.454
   14   2HB   SER   2          HB1       SER   2 -27.704  -8.828   2.664
   15    HG   SER   2           HG       SER   2 -26.784 -11.486   3.006
   16    H    SER   3           HN       SER   3 -30.143  -8.126   2.223
   17    HA   SER   3           HA       SER   3 -31.195  -8.022  -0.485
   18   1HB   SER   3          HB2       SER   3 -32.378  -5.997   0.297
   19   2HB   SER   3          HB1       SER   3 -32.673  -7.377   1.354
   20    HG   SER   3           HG       SER   3 -30.850  -5.248   1.804
   21    H    GLY   4           HN       GLY   4 -28.265  -7.672   0.288
   22   1HA   GLY   4          HA2       GLY   4 -26.515  -6.523  -0.676
   23   2HA   GLY   4          HA1       GLY   4 -27.690  -5.635  -1.633
   24    H    HIS   5           HN       HIS   5 -25.325  -4.577  -0.389
   25    HA   HIS   5           HA       HIS   5 -26.525  -2.787   1.617
   26   1HB   HIS   5          HB2       HIS   5 -23.624  -3.550   1.225
   27   2HB   HIS   5          HB1       HIS   5 -24.205  -2.374   2.400
   28    HD1  HIS   5           HD1      HIS   5 -25.082  -5.996   1.573
   29    HD2  HIS   5           HD2      HIS   5 -24.390  -3.512   4.831
   30    HE1  HIS   5           HE1      HIS   5 -25.337  -7.460   3.601
   31    HE2  HIS   5           HE2      HIS   5 -25.007  -5.915   5.563
   32    H    ILE   6           HN       ILE   6 -26.967  -2.308  -1.088
   33    HA   ILE   6           HA       ILE   6 -25.093  -0.507  -2.222
   34    HB   ILE   6           HB       ILE   6 -28.055  -0.745  -2.783
   35   1HG1  ILE   6          HG12      ILE   6 -25.688  -2.040  -4.160
   36   2HG1  ILE   6          HG11      ILE   6 -26.830  -2.865  -3.104
   37   1HG2  ILE   6          HG21      ILE   6 -27.745   1.054  -4.058
   38   2HG2  ILE   6          HG22      ILE   6 -26.721   0.053  -5.087
   39   3HG2  ILE   6          HG23      ILE   6 -26.001   1.019  -3.799
   40   1HD1  ILE   6          HD11      ILE   6 -28.632  -2.218  -4.725
   41   2HD1  ILE   6          HD12      ILE   6 -27.442  -3.371  -5.329
   42   3HD1  ILE   6          HD13      ILE   6 -27.353  -1.677  -5.811
   43    H    ASP   7           HN       ASP   7 -24.560   1.008  -0.626
   44    HA   ASP   7           HA       ASP   7 -26.219   3.326  -0.564
   45   1HB   ASP   7          HB2       ASP   7 -27.375   2.014   1.156
   46   2HB   ASP   7          HB1       ASP   7 -25.858   1.800   2.025
   47    H    ASP   8           HN       ASP   8 -24.035   2.190   1.986
   48    HA   ASP   8           HA       ASP   8 -21.732   3.490   0.941
   49   1HB   ASP   8          HB2       ASP   8 -21.544   5.263   2.663
   50   2HB   ASP   8          HB1       ASP   8 -22.904   5.516   1.575
   51    H    ASP   9           HN       ASP   9 -22.662   0.980   2.217
   52    HA   ASP   9           HA       ASP   9 -21.114   0.907   4.687
   53   1HB   ASP   9          HB2       ASP   9 -23.303  -0.200   4.669
   54   2HB   ASP   9          HB1       ASP   9 -22.781  -1.232   3.341
   55    H    ASP  10           HN       ASP  10 -21.322  -1.794   2.464
   56    HA   ASP  10           HA       ASP  10 -18.395  -1.893   2.380
   57   1HB   ASP  10          HB2       ASP  10 -19.706  -3.885   3.168
   58   2HB   ASP  10          HB1       ASP  10 -20.374  -4.023   1.546
   59    H    LYS  11           HN       LYS  11 -21.040  -1.014   0.481
   60    HA   LYS  11           HA       LYS  11 -19.824  -1.653  -2.071
   61   1HB   LYS  11          HB2       LYS  11 -22.361  -0.158  -1.392
   62   2HB   LYS  11          HB1       LYS  11 -21.843  -0.572  -3.020
   63   1HG   LYS  11          HG2       LYS  11 -22.450  -2.558  -0.839
   64   2HG   LYS  11          HG1       LYS  11 -23.547  -2.108  -2.146
   65   1HD   LYS  11          HD2       LYS  11 -21.881  -2.911  -3.781
   66   2HD   LYS  11          HD1       LYS  11 -20.844  -3.416  -2.446
   67   1HE   LYS  11          HE2       LYS  11 -23.634  -4.435  -2.970
   68   2HE   LYS  11          HE1       LYS  11 -22.146  -5.282  -3.391
   69   1HZ   LYS  11          HZ1       LYS  11 -23.240  -4.710  -0.707
   70   2HZ   LYS  11          HZ2       LYS  11 -21.604  -5.084  -0.925
   71   3HZ   LYS  11          HZ3       LYS  11 -22.793  -6.201  -1.372
   72    H    HIS  12           HN       HIS  12 -19.542   0.800   0.179
   73    HA   HIS  12           HA       HIS  12 -19.370   3.088  -1.450
   74   1HB   HIS  12          HB2       HIS  12 -18.434   4.152   0.440
   75   2HB   HIS  12          HB1       HIS  12 -19.535   2.957   1.097
   76    HD1  HIS  12           HD1      HIS  12 -17.998   0.485   1.370
   77    HD2  HIS  12           HD2      HIS  12 -16.215   4.190   1.965
   78    HE1  HIS  12           HE1      HIS  12 -15.966   0.034   2.782
   79    HE2  HIS  12           HE2      HIS  12 -14.955   2.303   3.205
   80    H    MET  13           HN       MET  13 -17.209   0.497  -0.698
   81    HA   MET  13           HA       MET  13 -14.894   1.810  -1.866
   82   1HB   MET  13          HB2       MET  13 -14.633   0.359   0.110
   83   2HB   MET  13          HB1       MET  13 -15.234  -1.008  -0.817
   84   1HG   MET  13          HG2       MET  13 -13.314  -0.835  -2.317
   85   2HG   MET  13          HG1       MET  13 -12.711   0.532  -1.382
   86   1HE   MET  13          HE1       MET  13 -13.676  -3.331   0.680
   87   2HE   MET  13          HE2       MET  13 -12.998  -3.735  -0.898
   88   3HE   MET  13          HE3       MET  13 -14.414  -2.689  -0.787
   89    H    ALA  14           HN       ALA  14 -17.539   0.120  -3.002
   90    HA   ALA  14           HA       ALA  14 -16.143  -1.187  -5.196
   91   1HB   ALA  14          HB1       ALA  14 -18.001  -2.332  -4.058
   92   2HB   ALA  14          HB2       ALA  14 -18.295  -2.117  -5.783
   93   3HB   ALA  14          HB3       ALA  14 -19.097  -1.068  -4.614
   94    H    GLU  15           HN       GLU  15 -17.755   1.795  -4.584
   95    HA   GLU  15           HA       GLU  15 -18.281   2.263  -7.393
   96   1HB   GLU  15          HB2       GLU  15 -19.167   4.483  -6.488
   97   2HB   GLU  15          HB1       GLU  15 -20.036   3.018  -6.062
   98   1HG   GLU  15          HG2       GLU  15 -19.005   3.007  -3.870
   99   2HG   GLU  15          HG1       GLU  15 -18.064   4.438  -4.289
  100    H    ARG  16           HN       ARG  16 -17.162   4.771  -5.244
  101    HA   ARG  16           HA       ARG  16 -14.559   4.916  -6.516
  102   1HB   ARG  16          HB2       ARG  16 -16.556   7.177  -6.744
  103   2HB   ARG  16          HB1       ARG  16 -14.867   7.264  -7.216
  104   1HG   ARG  16          HG2       ARG  16 -15.263   5.543  -8.917
  105   2HG   ARG  16          HG1       ARG  16 -16.965   5.491  -8.452
  106   1HD   ARG  16          HD2       ARG  16 -17.152   7.891  -9.025
  107   2HD   ARG  16          HD1       ARG  16 -15.478   7.863  -9.577
  108    HE   ARG  16           HE       ARG  16 -16.243   7.027 -11.544
  109   1HH1  ARG  16          HH11      ARG  16 -18.528   6.153  -9.056
  110   2HH1  ARG  16          HH12      ARG  16 -19.615   5.372 -10.155
  111   1HH2  ARG  16          HH21      ARG  16 -17.671   6.001 -12.988
  112   2HH2  ARG  16          HH22      ARG  16 -19.128   5.283 -12.385
  113    H    LEU  17           HN       LEU  17 -16.654   5.468  -3.934
  114    HA   LEU  17           HA       LEU  17 -15.414   7.601  -2.603
  115   1HB   LEU  17          HB2       LEU  17 -17.641   6.618  -2.046
  116   2HB   LEU  17          HB1       LEU  17 -16.806   5.251  -1.332
  117    HG   LEU  17           HG       LEU  17 -15.781   6.728   0.334
  118   1HD1  LEU  17          HD11      LEU  17 -16.914   9.067   0.464
  119   2HD1  LEU  17          HD12      LEU  17 -17.173   8.832  -1.264
  120   3HD1  LEU  17          HD13      LEU  17 -15.536   8.818  -0.608
  121   1HD2  LEU  17          HD21      LEU  17 -18.069   7.526   1.346
  122   2HD2  LEU  17          HD22      LEU  17 -17.689   5.808   1.214
  123   3HD2  LEU  17          HD23      LEU  17 -18.739   6.573   0.022
  124    H    SER  18           HN       SER  18 -13.300   7.642  -2.263
  125    HA   SER  18           HA       SER  18 -12.131   5.632  -0.516
  126   1HB   SER  18          HB2       SER  18 -10.136   5.362  -1.950
  127   2HB   SER  18          HB1       SER  18 -11.594   4.792  -2.760
  128    HG   SER  18           HG       SER  18 -11.235   6.203  -4.259
  129    H    GLU  19           HN       GLU  19 -11.565   6.931   1.134
  130    HA   GLU  19           HA       GLU  19 -11.050   9.657   0.963
  131   1HB   GLU  19          HB2       GLU  19 -11.603   8.490   3.053
  132   2HB   GLU  19          HB1       GLU  19 -10.028   7.713   3.037
  133   1HG   GLU  19          HG2       GLU  19  -8.945   9.888   3.249
  134   2HG   GLU  19          HG1       GLU  19 -10.523  10.673   3.256
  135    H    GLU  20           HN       GLU  20  -8.558   7.111   1.502
  136    HA   GLU  20           HA       GLU  20  -6.570   9.023   0.564
  137   1HB   GLU  20          HB2       GLU  20  -5.051   6.905   1.178
  138   2HB   GLU  20          HB1       GLU  20  -5.558   8.102   2.353
  139   1HG   GLU  20          HG2       GLU  20  -7.027   5.521   1.875
  140   2HG   GLU  20          HG1       GLU  20  -5.770   5.729   3.087
  141    H    GLU  21           HN       GLU  21  -7.008   5.527  -0.026
  142    HA   GLU  21           HA       GLU  21  -7.309   5.698  -2.791
  143   1HB   GLU  21          HB2       GLU  21  -4.954   6.552  -2.647
  144   2HB   GLU  21          HB1       GLU  21  -4.482   4.997  -1.984
  145   1HG   GLU  21          HG2       GLU  21  -3.965   5.137  -4.349
  146   2HG   GLU  21          HG1       GLU  21  -5.173   3.891  -4.038
  147    H    ILE  22           HN       ILE  22  -8.063   4.252  -0.316
  148    HA   ILE  22           HA       ILE  22  -7.186   1.655  -0.154
  149    HB   ILE  22           HB       ILE  22  -9.514   1.100   0.670
  150   1HG1  ILE  22          HG12      ILE  22 -10.895   3.184   1.190
  151   2HG1  ILE  22          HG11      ILE  22  -9.905   4.019   0.000
  152   1HG2  ILE  22          HG21      ILE  22  -7.765   3.240   1.789
  153   2HG2  ILE  22          HG22      ILE  22  -8.019   1.587   2.348
  154   3HG2  ILE  22          HG23      ILE  22  -9.262   2.810   2.617
  155   1HD1  ILE  22          HD11      ILE  22 -11.587   1.590  -0.565
  156   2HD1  ILE  22          HD12      ILE  22 -10.688   2.550  -1.739
  157   3HD1  ILE  22          HD13      ILE  22 -12.063   3.256  -0.891
  158    H    GLY  23           HN       GLY  23  -8.736   3.055  -2.796
  159   1HA   GLY  23          HA2       GLY  23 -10.342   1.039  -3.825
  160   2HA   GLY  23          HA1       GLY  23  -9.448   2.192  -4.802
  161    H    GLY  24           HN       GLY  24  -6.827   1.405  -4.089
  162   1HA   GLY  24          HA2       GLY  24  -6.667  -1.050  -5.665
  163   2HA   GLY  24          HA1       GLY  24  -5.341   0.048  -5.315
  164    H    LEU  25           HN       LEU  25  -6.766  -0.294  -2.442
  165    HA   LEU  25           HA       LEU  25  -4.743  -1.758  -1.250
  166   1HB   LEU  25          HB2       LEU  25  -6.185  -0.299   0.016
  167   2HB   LEU  25          HB1       LEU  25  -7.582  -1.283  -0.356
  168    HG   LEU  25           HG       LEU  25  -6.597  -1.458   1.995
  169   1HD1  LEU  25          HD11      LEU  25  -8.194  -3.076   0.837
  170   2HD1  LEU  25          HD12      LEU  25  -7.294  -3.674   2.231
  171   3HD1  LEU  25          HD13      LEU  25  -6.782  -4.106   0.600
  172   1HD2  LEU  25          HD21      LEU  25  -4.670  -2.697   2.386
  173   2HD2  LEU  25          HD22      LEU  25  -4.228  -1.675   1.018
  174   3HD2  LEU  25          HD23      LEU  25  -4.651  -3.367   0.754
  175    H    LYS  26           HN       LYS  26  -7.916  -2.867  -2.356
  176    HA   LYS  26           HA       LYS  26  -7.511  -5.531  -1.422
  177   1HB   LYS  26          HB2       LYS  26  -9.742  -4.576  -1.596
  178   2HB   LYS  26          HB1       LYS  26  -9.556  -4.413  -3.337
  179   1HG   LYS  26          HG2       LYS  26  -9.435  -6.828  -3.571
  180   2HG   LYS  26          HG1       LYS  26  -9.565  -7.015  -1.823
  181   1HD   LYS  26          HD2       LYS  26 -11.721  -7.422  -2.782
  182   2HD   LYS  26          HD1       LYS  26 -11.781  -5.880  -1.931
  183   1HE   LYS  26          HE2       LYS  26 -11.323  -6.149  -4.898
  184   2HE   LYS  26          HE1       LYS  26 -12.908  -5.901  -4.170
  185   1HZ   LYS  26          HZ1       LYS  26 -11.360  -3.938  -3.080
  186   2HZ   LYS  26          HZ2       LYS  26 -12.465  -3.744  -4.345
  187   3HZ   LYS  26          HZ3       LYS  26 -10.829  -4.006  -4.686
  188    H    GLU  27           HN       GLU  27  -6.932  -3.918  -4.497
  189    HA   GLU  27           HA       GLU  27  -6.566  -6.459  -5.841
  190   1HB   GLU  27          HB2       GLU  27  -7.653  -4.588  -6.993
  191   2HB   GLU  27          HB1       GLU  27  -6.167  -3.655  -6.874
  192   1HG   GLU  27          HG2       GLU  27  -5.017  -5.283  -8.268
  193   2HG   GLU  27          HG1       GLU  27  -6.488  -6.250  -8.366
  194    H    LEU  28           HN       LEU  28  -4.431  -3.582  -5.771
  195    HA   LEU  28           HA       LEU  28  -2.173  -5.350  -6.187
  196   1HB   LEU  28          HB2       LEU  28  -0.872  -3.233  -6.462
  197   2HB   LEU  28          HB1       LEU  28  -2.159  -3.497  -7.619
  198    HG   LEU  28           HG       LEU  28  -2.628  -1.777  -5.204
  199   1HD1  LEU  28          HD11      LEU  28  -1.565   0.023  -6.062
  200   2HD1  LEU  28          HD12      LEU  28  -1.871  -0.455  -7.731
  201   3HD1  LEU  28          HD13      LEU  28  -0.557  -1.206  -6.825
  202   1HD2  LEU  28          HD21      LEU  28  -4.642  -2.042  -6.246
  203   2HD2  LEU  28          HD22      LEU  28  -3.915  -2.286  -7.834
  204   3HD2  LEU  28          HD23      LEU  28  -4.027  -0.662  -7.156
  205    H    PHE  29           HN       PHE  29  -2.825  -2.683  -3.883
  206    HA   PHE  29           HA       PHE  29  -0.628  -2.667  -2.391
  207   1HB   PHE  29          HB2       PHE  29  -3.090  -1.644  -2.017
  208   2HB   PHE  29          HB1       PHE  29  -3.038  -2.813  -0.699
  209    HD1  PHE  29           HD1      PHE  29  -2.391  -1.931   1.318
  210    HD2  PHE  29           HD2      PHE  29  -0.672  -0.380  -2.251
  211    HE1  PHE  29           HE1      PHE  29  -1.044  -0.360   2.649
  212    HE2  PHE  29           HE2      PHE  29   0.677   1.192  -0.926
  213    HZ   PHE  29           HZ       PHE  29   0.492   1.202   1.529
  214    H    LYS  30           HN       LYS  30  -3.283  -4.863  -1.350
  215    HA   LYS  30           HA       LYS  30  -1.810  -6.206   0.567
  216   1HB   LYS  30          HB2       LYS  30  -4.074  -7.215  -1.150
  217   2HB   LYS  30          HB1       LYS  30  -3.416  -8.110   0.213
  218   1HG   LYS  30          HG2       LYS  30  -3.964  -6.156   1.663
  219   2HG   LYS  30          HG1       LYS  30  -4.787  -5.435   0.281
  220   1HD   LYS  30          HD2       LYS  30  -5.465  -8.135   1.439
  221   2HD   LYS  30          HD1       LYS  30  -6.287  -6.636   1.869
  222   1HE   LYS  30          HE2       LYS  30  -7.591  -7.791   0.215
  223   2HE   LYS  30          HE1       LYS  30  -6.904  -6.339  -0.507
  224   1HZ   LYS  30          HZ1       LYS  30  -5.393  -8.822  -0.787
  225   2HZ   LYS  30          HZ2       LYS  30  -5.569  -7.535  -1.870
  226   3HZ   LYS  30          HZ3       LYS  30  -6.811  -8.670  -1.700
  227    H    MET  31           HN       MET  31  -2.123  -6.999  -2.878
  228    HA   MET  31           HA       MET  31  -0.730  -9.406  -2.878
  229   1HB   MET  31          HB2       MET  31  -1.977  -8.585  -4.815
  230   2HB   MET  31          HB1       MET  31  -0.813  -7.285  -5.032
  231   1HG   MET  31          HG2       MET  31  -0.447  -9.096  -6.615
  232   2HG   MET  31          HG1       MET  31   0.929  -8.894  -5.532
  233   1HE   MET  31          HE1       MET  31  -2.182 -11.626  -6.284
  234   2HE   MET  31          HE2       MET  31  -2.502 -10.291  -5.177
  235   3HE   MET  31          HE3       MET  31  -2.301 -11.928  -4.551
  236    H    ILE  32           HN       ILE  32   0.425  -6.209  -2.413
  237    HA   ILE  32           HA       ILE  32   3.194  -6.935  -2.998
  238    HB   ILE  32           HB       ILE  32   2.013  -4.299  -2.105
  239   1HG1  ILE  32          HG12      ILE  32   1.331  -4.940  -4.376
  240   2HG1  ILE  32          HG11      ILE  32   2.439  -3.572  -4.412
  241   1HG2  ILE  32          HG21      ILE  32   4.749  -5.246  -2.252
  242   2HG2  ILE  32          HG22      ILE  32   4.098  -3.774  -1.530
  243   3HG2  ILE  32          HG23      ILE  32   4.483  -3.816  -3.250
  244   1HD1  ILE  32          HD11      ILE  32   3.430  -4.763  -6.031
  245   2HD1  ILE  32          HD12      ILE  32   2.756  -6.292  -5.468
  246   3HD1  ILE  32          HD13      ILE  32   4.179  -5.612  -4.679
  247    H    ASP  33           HN       ASP  33   1.406  -5.411  -0.344
  248    HA   ASP  33           HA       ASP  33   3.367  -5.641   1.613
  249   1HB   ASP  33          HB2       ASP  33   1.378  -4.219   1.846
  250   2HB   ASP  33          HB1       ASP  33   0.358  -5.651   1.942
  251    H    THR  34           HN       THR  34   4.321  -7.468   2.239
  252    HA   THR  34           HA       THR  34   3.242 -10.046   1.926
  253    HB   THR  34           HB       THR  34   5.420  -9.127   3.817
  254    HG1  THR  34           HG1      THR  34   6.724  -9.971   1.994
  255   1HG2  THR  34          HG21      THR  34   5.990 -11.243   4.234
  256   2HG2  THR  34          HG22      THR  34   5.618 -11.776   2.594
  257   3HG2  THR  34          HG23      THR  34   4.325 -11.605   3.781
  258    H    ASP  35           HN       ASP  35   2.462  -7.626   4.092
  259    HA   ASP  35           HA       ASP  35   1.657  -9.423   6.233
  260   1HB   ASP  35          HB2       ASP  35   2.803  -7.248   6.724
  261   2HB   ASP  35          HB1       ASP  35   1.372  -6.425   6.114
  262    H    ASN  36           HN       ASN  36   0.271  -7.726   3.538
  263    HA   ASN  36           HA       ASN  36  -1.884  -7.521   2.808
  264   1HB   ASN  36          HB2       ASN  36  -2.200 -10.014   4.496
  265   2HB   ASN  36          HB1       ASN  36  -3.424  -9.412   3.385
  266   1HD2  ASN  36          HD21      ASN  36  -0.669  -8.625   1.900
  267   2HD2  ASN  36          HD22      ASN  36  -0.403 -10.046   0.957
  268    H    SER  37           HN       SER  37  -0.982  -6.520   5.605
  269    HA   SER  37           HA       SER  37  -3.467  -6.395   7.072
  270   1HB   SER  37          HB2       SER  37  -2.202  -4.967   8.639
  271   2HB   SER  37          HB1       SER  37  -1.328  -6.455   8.279
  272    HG   SER  37           HG       SER  37  -0.830  -3.846   7.312
  273    H    GLY  38           HN       GLY  38  -1.864  -4.623   4.641
  274   1HA   GLY  38          HA2       GLY  38  -3.186  -3.043   3.343
  275   2HA   GLY  38          HA1       GLY  38  -3.932  -2.515   4.845
  276    H    THR  39           HN       THR  39  -0.648  -3.080   5.210
  277    HA   THR  39           HA       THR  39   0.237  -0.443   4.394
  278    HB   THR  39           HB       THR  39   1.137   0.076   6.666
  279    HG1  THR  39           HG1      THR  39  -0.641  -1.550   7.951
  280   1HG2  THR  39          HG21      THR  39  -0.980   1.102   5.943
  281   2HG2  THR  39          HG22      THR  39  -0.893   0.849   7.686
  282   3HG2  THR  39          HG23      THR  39  -1.853  -0.240   6.685
  283    H    ILE  40           HN       ILE  40   2.355  -0.466   3.828
  284    HA   ILE  40           HA       ILE  40   3.814  -2.974   4.297
  285    HB   ILE  40           HB       ILE  40   4.136  -0.812   2.211
  286   1HG1  ILE  40          HG12      ILE  40   3.682  -3.760   1.827
  287   2HG1  ILE  40          HG11      ILE  40   2.348  -2.619   2.003
  288   1HG2  ILE  40          HG21      ILE  40   5.939  -3.139   2.829
  289   2HG2  ILE  40          HG22      ILE  40   6.358  -1.428   2.735
  290   3HG2  ILE  40          HG23      ILE  40   5.931  -2.314   1.271
  291   1HD1  ILE  40          HD11      ILE  40   3.046  -3.266  -0.353
  292   2HD1  ILE  40          HD12      ILE  40   4.472  -2.264  -0.081
  293   3HD1  ILE  40          HD13      ILE  40   2.863  -1.546  -0.010
  294    H    THR  41           HN       THR  41   5.983  -2.944   4.980
  295    HA   THR  41           HA       THR  41   7.039  -0.384   5.958
  296    HB   THR  41           HB       THR  41   7.729  -1.452   8.072
  297    HG1  THR  41           HG1      THR  41   7.545  -3.515   8.332
  298   1HG2  THR  41          HG21      THR  41   4.825  -1.377   7.401
  299   2HG2  THR  41          HG22      THR  41   5.763  -0.327   8.463
  300   3HG2  THR  41          HG23      THR  41   5.357  -1.965   8.976
  301    H    PHE  42           HN       PHE  42   9.253  -0.201   5.839
  302    HA   PHE  42           HA       PHE  42  10.730  -1.358   3.950
  303   1HB   PHE  42          HB2       PHE  42  11.545   0.535   5.187
  304   2HB   PHE  42          HB1       PHE  42  11.663  -0.418   6.663
  305    HD1  PHE  42           HD1      PHE  42  12.804  -0.951   3.155
  306    HD2  PHE  42           HD2      PHE  42  13.840  -0.704   7.271
  307    HE1  PHE  42           HE1      PHE  42  15.117  -1.544   2.603
  308    HE2  PHE  42           HE2      PHE  42  16.159  -1.291   6.727
  309    HZ   PHE  42           HZ       PHE  42  16.810  -1.715   4.387
  310    H    ASP  43           HN       ASP  43  10.165  -2.721   7.141
  311    HA   ASP  43           HA       ASP  43  12.105  -4.737   7.123
  312   1HB   ASP  43          HB2       ASP  43  10.803  -4.155   9.124
  313   2HB   ASP  43          HB1       ASP  43   9.346  -4.794   8.368
  314    H    GLU  44           HN       GLU  44   8.724  -4.831   6.068
  315    HA   GLU  44           HA       GLU  44   9.068  -7.457   4.884
  316   1HB   GLU  44          HB2       GLU  44   6.633  -7.023   4.192
  317   2HB   GLU  44          HB1       GLU  44   6.969  -7.199   5.908
  318   1HG   GLU  44          HG2       GLU  44   7.008  -4.726   6.085
  319   2HG   GLU  44          HG1       GLU  44   6.523  -4.643   4.392
  320    H    LEU  45           HN       LEU  45   9.357  -4.201   3.969
  321    HA   LEU  45           HA       LEU  45   8.603  -4.233   1.290
  322   1HB   LEU  45          HB2       LEU  45   9.211  -2.224   2.676
  323   2HB   LEU  45          HB1       LEU  45  10.895  -2.657   2.446
  324    HG   LEU  45           HG       LEU  45  10.485  -2.487  -0.044
  325   1HD1  LEU  45          HD11      LEU  45   8.434  -0.723  -0.239
  326   2HD1  LEU  45          HD12      LEU  45   7.824  -1.832   0.990
  327   3HD1  LEU  45          HD13      LEU  45   8.313  -2.447  -0.590
  328   1HD2  LEU  45          HD21      LEU  45  11.518  -0.551   0.258
  329   2HD2  LEU  45          HD22      LEU  45  10.929  -0.474   1.918
  330   3HD2  LEU  45          HD23      LEU  45   9.969   0.215   0.608
  331    H    LYS  46           HN       LYS  46  11.908  -4.475   2.596
  332    HA   LYS  46           HA       LYS  46  13.182  -5.158   0.227
  333   1HB   LYS  46          HB2       LYS  46  14.991  -6.047   1.699
  334   2HB   LYS  46          HB1       LYS  46  14.463  -4.423   2.117
  335   1HG   LYS  46          HG2       LYS  46  13.106  -5.334   3.936
  336   2HG   LYS  46          HG1       LYS  46  13.647  -6.961   3.518
  337   1HD   LYS  46          HD2       LYS  46  15.948  -6.341   4.013
  338   2HD   LYS  46          HD1       LYS  46  15.442  -4.689   4.372
  339   1HE   LYS  46          HE2       LYS  46  15.767  -5.954   6.425
  340   2HE   LYS  46          HE1       LYS  46  14.070  -5.518   6.224
  341   1HZ   LYS  46          HZ1       LYS  46  14.611  -8.038   5.040
  342   2HZ   LYS  46          HZ2       LYS  46  13.501  -7.645   6.254
  343   3HZ   LYS  46          HZ3       LYS  46  15.096  -8.036   6.661
  344    H    ASP  47           HN       ASP  47  11.675  -7.221   2.666
  345    HA   ASP  47           HA       ASP  47  12.550  -9.711   1.880
  346   1HB   ASP  47          HB2       ASP  47  11.099  -9.188   3.856
  347   2HB   ASP  47          HB1       ASP  47   9.729  -9.067   2.757
  348    H    GLY  48           HN       GLY  48  10.641  -7.538   0.090
  349   1HA   GLY  48          HA2       GLY  48   9.227  -9.467  -1.498
  350   2HA   GLY  48          HA1       GLY  48   9.382  -7.749  -1.839
  351    H    LEU  49           HN       LEU  49  11.948  -7.280  -2.193
  352    HA   LEU  49           HA       LEU  49  12.563  -8.767  -4.611
  353   1HB   LEU  49          HB2       LEU  49  13.864  -6.346  -3.357
  354   2HB   LEU  49          HB1       LEU  49  14.385  -7.072  -4.863
  355    HG   LEU  49           HG       LEU  49  13.073  -5.129  -5.361
  356   1HD1  LEU  49          HD11      LEU  49  12.228  -7.787  -6.135
  357   2HD1  LEU  49          HD12      LEU  49  12.419  -6.330  -7.110
  358   3HD1  LEU  49          HD13      LEU  49  10.913  -6.616  -6.238
  359   1HD2  LEU  49          HD21      LEU  49  10.776  -4.854  -4.642
  360   2HD2  LEU  49          HD22      LEU  49  11.839  -5.003  -3.243
  361   3HD2  LEU  49          HD23      LEU  49  10.850  -6.373  -3.749
  362    H    LYS  50           HN       LYS  50  13.355  -8.866  -1.338
  363    HA   LYS  50           HA       LYS  50  16.048  -9.795  -1.609
  364   1HB   LYS  50          HB2       LYS  50  15.192  -8.635   0.421
  365   2HB   LYS  50          HB1       LYS  50  14.203 -10.047   0.765
  366   1HG   LYS  50          HG2       LYS  50  16.194 -11.418   0.996
  367   2HG   LYS  50          HG1       LYS  50  17.210 -10.030   0.601
  368   1HD   LYS  50          HD2       LYS  50  16.369  -8.862   2.588
  369   2HD   LYS  50          HD1       LYS  50  15.379 -10.268   2.988
  370   1HE   LYS  50          HE2       LYS  50  17.393 -11.629   3.208
  371   2HE   LYS  50          HE1       LYS  50  18.389 -10.238   2.780
  372   1HZ   LYS  50          HZ1       LYS  50  16.548  -9.949   5.033
  373   2HZ   LYS  50          HZ2       LYS  50  18.084  -9.281   4.801
  374   3HZ   LYS  50          HZ3       LYS  50  17.929 -10.899   5.271
  375    H    ARG  51           HN       ARG  51  12.895 -11.281  -1.030
  376    HA   ARG  51           HA       ARG  51  13.611 -13.886  -0.532
  377   1HB   ARG  51          HB2       ARG  51  11.301 -13.115  -0.442
  378   2HB   ARG  51          HB1       ARG  51  11.282 -12.897  -2.186
  379   1HG   ARG  51          HG2       ARG  51  10.127 -14.927  -1.599
  380   2HG   ARG  51          HG1       ARG  51  11.609 -15.316  -2.475
  381   1HD   ARG  51          HD2       ARG  51  11.376 -16.830  -0.619
  382   2HD   ARG  51          HD1       ARG  51  12.727 -15.741  -0.307
  383    HE   ARG  51           HE       ARG  51  11.631 -15.059   1.563
  384   1HH1  ARG  51          HH11      ARG  51   9.268 -16.303  -0.679
  385   2HH1  ARG  51          HH12      ARG  51   7.932 -16.058   0.396
  386   1HH2  ARG  51          HH21      ARG  51   9.875 -14.735   2.982
  387   2HH2  ARG  51          HH22      ARG  51   8.276 -15.163   2.472
  388    H    VAL  52           HN       VAL  52  13.551 -12.208  -3.626
  389    HA   VAL  52           HA       VAL  52  14.176 -14.646  -5.076
  390    HB   VAL  52           HB       VAL  52  14.178 -13.251  -7.090
  391   1HG1  VAL  52          HG11      VAL  52  12.001 -13.866  -5.469
  392   2HG1  VAL  52          HG12      VAL  52  11.967 -13.473  -7.188
  393   3HG1  VAL  52          HG13      VAL  52  11.724 -12.203  -5.988
  394   1HG2  VAL  52          HG21      VAL  52  14.868 -11.182  -5.459
  395   2HG2  VAL  52          HG22      VAL  52  13.163 -10.846  -5.755
  396   3HG2  VAL  52          HG23      VAL  52  14.279 -11.008  -7.111
  397    H    GLY  53           HN       GLY  53  15.814 -11.825  -3.824
  398   1HA   GLY  53          HA2       GLY  53  18.024 -11.188  -3.840
  399   2HA   GLY  53          HA1       GLY  53  18.332 -12.913  -3.730
  400    H    SER  54           HN       SER  54  17.045 -10.881  -6.368
  401    HA   SER  54           HA       SER  54  18.823 -12.232  -8.223
  402   1HB   SER  54          HB2       SER  54  16.494 -11.828  -8.888
  403   2HB   SER  54          HB1       SER  54  16.739 -10.090  -8.714
  404    HG   SER  54           HG       SER  54  16.947 -10.929 -10.899
  405    H    GLU  55           HN       GLU  55  18.041  -8.881  -8.732
  406    HA   GLU  55           HA       GLU  55  20.794  -8.088  -8.106
  407   1HB   GLU  55          HB2       GLU  55  20.649  -8.597 -10.530
  408   2HB   GLU  55          HB1       GLU  55  19.367  -7.403 -10.684
  409   1HG   GLU  55          HG2       GLU  55  20.909  -5.645 -10.000
  410   2HG   GLU  55          HG1       GLU  55  22.195  -6.838  -9.820
  411    H    LEU  56           HN       LEU  56  19.332  -7.376  -6.256
  412    HA   LEU  56           HA       LEU  56  18.031  -4.819  -6.865
  413   1HB   LEU  56          HB2       LEU  56  17.190  -5.142  -4.422
  414   2HB   LEU  56          HB1       LEU  56  16.425  -6.006  -5.740
  415    HG   LEU  56           HG       LEU  56  16.790  -7.352  -3.665
  416   1HD1  LEU  56          HD11      LEU  56  16.506  -8.932  -5.203
  417   2HD1  LEU  56          HD12      LEU  56  18.260  -9.116  -5.174
  418   3HD1  LEU  56          HD13      LEU  56  17.503  -8.080  -6.383
  419   1HD2  LEU  56          HD21      LEU  56  19.694  -7.109  -4.430
  420   2HD2  LEU  56          HD22      LEU  56  19.043  -8.196  -3.203
  421   3HD2  LEU  56          HD23      LEU  56  18.936  -6.450  -2.981
  422    H    MET  57           HN       MET  57  18.074  -3.348  -4.795
  423    HA   MET  57           HA       MET  57  20.860  -3.171  -3.854
  424   1HB   MET  57          HB2       MET  57  19.055  -0.861  -4.603
  425   2HB   MET  57          HB1       MET  57  20.693  -0.729  -3.981
  426   1HG   MET  57          HG2       MET  57  21.553  -1.824  -5.974
  427   2HG   MET  57          HG1       MET  57  19.910  -1.998  -6.590
  428   1HE   MET  57          HE1       MET  57  22.761   1.047  -5.921
  429   2HE   MET  57          HE2       MET  57  21.650   0.638  -4.614
  430   3HE   MET  57          HE3       MET  57  21.437   2.138  -5.517
  431    H    GLU  58           HN       GLU  58  20.763  -3.692  -1.745
  432    HA   GLU  58           HA       GLU  58  18.528  -3.497  -0.088
  433   1HB   GLU  58          HB2       GLU  58  20.518  -4.862   0.434
  434   2HB   GLU  58          HB1       GLU  58  21.448  -3.395   0.707
  435   1HG   GLU  58          HG2       GLU  58  19.985  -2.817   2.578
  436   2HG   GLU  58          HG1       GLU  58  19.058  -4.291   2.305
  437    H    SER  59           HN       SER  59  20.520  -1.084  -1.330
  438    HA   SER  59           HA       SER  59  20.050   0.833   0.805
  439   1HB   SER  59          HB2       SER  59  22.215   0.860  -0.351
  440   2HB   SER  59          HB1       SER  59  21.402   1.169  -1.885
  441    HG   SER  59           HG       SER  59  20.585   2.981  -0.113
  442    H    GLU  60           HN       GLU  60  19.027   0.251  -2.531
  443    HA   GLU  60           HA       GLU  60  17.461   2.589  -2.796
  444   1HB   GLU  60          HB2       GLU  60  18.248   1.328  -4.738
  445   2HB   GLU  60          HB1       GLU  60  17.282  -0.058  -4.250
  446   1HG   GLU  60          HG2       GLU  60  15.244   1.250  -4.578
  447   2HG   GLU  60          HG1       GLU  60  16.216   2.635  -5.071
  448    H    ILE  61           HN       ILE  61  16.833  -0.633  -1.572
  449    HA   ILE  61           HA       ILE  61  14.068  -0.678  -1.539
  450    HB   ILE  61           HB       ILE  61  15.857  -1.735   0.653
  451   1HG1  ILE  61          HG12      ILE  61  14.897  -3.117  -1.864
  452   2HG1  ILE  61          HG11      ILE  61  16.525  -2.493  -1.626
  453   1HG2  ILE  61          HG21      ILE  61  13.046  -1.696   0.358
  454   2HG2  ILE  61          HG22      ILE  61  14.004  -2.517   1.591
  455   3HG2  ILE  61          HG23      ILE  61  13.581  -3.357   0.099
  456   1HD1  ILE  61          HD11      ILE  61  17.073  -4.478  -0.819
  457   2HD1  ILE  61          HD12      ILE  61  15.389  -5.002  -0.817
  458   3HD1  ILE  61          HD13      ILE  61  16.045  -4.136   0.572
  459    H    LYS  62           HN       LYS  62  16.241   0.564   1.009
  460    HA   LYS  62           HA       LYS  62  14.027   1.627   2.512
  461   1HB   LYS  62          HB2       LYS  62  15.729   2.457   4.058
  462   2HB   LYS  62          HB1       LYS  62  15.998   0.766   3.670
  463   1HG   LYS  62          HG2       LYS  62  18.125   1.536   3.511
  464   2HG   LYS  62          HG1       LYS  62  17.600   1.798   1.848
  465   1HD   LYS  62          HD2       LYS  62  18.737   3.770   2.619
  466   2HD   LYS  62          HD1       LYS  62  17.020   4.134   2.457
  467   1HE   LYS  62          HE2       LYS  62  16.716   3.858   4.855
  468   2HE   LYS  62          HE1       LYS  62  18.416   3.429   5.036
  469   1HZ   LYS  62          HZ1       LYS  62  17.763   5.989   3.773
  470   2HZ   LYS  62          HZ2       LYS  62  19.086   5.570   4.739
  471   3HZ   LYS  62          HZ3       LYS  62  17.580   5.861   5.450
  472    H    ASP  63           HN       ASP  63  16.409   2.858   0.252
  473    HA   ASP  63           HA       ASP  63  15.924   5.622   0.713
  474   1HB   ASP  63          HB2       ASP  63  17.153   4.077  -1.561
  475   2HB   ASP  63          HB1       ASP  63  16.896   5.813  -1.681
  476    H    LEU  64           HN       LEU  64  14.173   3.161  -0.838
  477    HA   LEU  64           HA       LEU  64  12.706   4.913  -2.615
  478   1HB   LEU  64          HB2       LEU  64  13.344   2.427  -2.991
  479   2HB   LEU  64          HB1       LEU  64  11.978   2.075  -1.949
  480    HG   LEU  64           HG       LEU  64  11.394   1.893  -4.327
  481   1HD1  LEU  64          HD11      LEU  64   9.358   3.159  -4.277
  482   2HD1  LEU  64          HD12      LEU  64  10.011   4.245  -3.050
  483   3HD1  LEU  64          HD13      LEU  64   9.691   2.556  -2.654
  484   1HD2  LEU  64          HD21      LEU  64  11.347   4.750  -4.866
  485   2HD2  LEU  64          HD22      LEU  64  11.922   3.416  -5.866
  486   3HD2  LEU  64          HD23      LEU  64  12.979   4.121  -4.642
  487    H    MET  65           HN       MET  65  11.921   2.862   0.207
  488    HA   MET  65           HA       MET  65   9.283   3.849   0.476
  489   1HB   MET  65          HB2       MET  65   9.346   2.770   2.712
  490   2HB   MET  65          HB1       MET  65   9.854   1.709   1.408
  491   1HG   MET  65          HG2       MET  65  11.345   1.288   3.149
  492   2HG   MET  65          HG1       MET  65  12.234   2.320   2.032
  493   1HE   MET  65          HE1       MET  65   9.604   3.976   4.972
  494   2HE   MET  65          HE2       MET  65  10.621   3.146   6.150
  495   3HE   MET  65          HE3       MET  65   9.849   2.233   4.854
  496    H    ASP  66           HN       ASP  66  12.362   5.025   1.550
  497    HA   ASP  66           HA       ASP  66  11.517   6.646   3.687
  498   1HB   ASP  66          HB2       ASP  66  13.881   6.097   3.243
  499   2HB   ASP  66          HB1       ASP  66  13.834   7.096   1.794
  500    H    ALA  67           HN       ALA  67  11.590   7.199   0.211
  501    HA   ALA  67           HA       ALA  67  10.696   9.954   0.554
  502   1HB   ALA  67          HB1       ALA  67  12.288   8.718  -1.331
  503   2HB   ALA  67          HB2       ALA  67  11.610  10.342  -1.439
  504   3HB   ALA  67          HB3       ALA  67  10.765   8.983  -2.179
  505    H    ALA  68           HN       ALA  68   9.452   6.825  -0.339
  506    HA   ALA  68           HA       ALA  68   7.026   7.782  -1.515
  507   1HB   ALA  68          HB1       ALA  68   8.117   5.130  -0.737
  508   2HB   ALA  68          HB2       ALA  68   7.477   5.682  -2.285
  509   3HB   ALA  68          HB3       ALA  68   6.375   5.279  -0.968
  510    H    ASP  69           HN       ASP  69   8.109   7.814   1.602
  511    HA   ASP  69           HA       ASP  69   5.371   7.844   2.660
  512   1HB   ASP  69          HB2       ASP  69   6.231   5.883   3.587
  513   2HB   ASP  69          HB1       ASP  69   7.836   6.573   3.817
  514    H    ILE  70           HN       ILE  70   4.973   9.933   2.846
  515    HA   ILE  70           HA       ILE  70   7.004  11.816   3.656
  516    HB   ILE  70           HB       ILE  70   4.082  12.158   3.006
  517   1HG1  ILE  70          HG12      ILE  70   6.575  12.909   1.469
  518   2HG1  ILE  70          HG11      ILE  70   5.540  11.530   1.118
  519   1HG2  ILE  70          HG21      ILE  70   4.205  14.418   3.364
  520   2HG2  ILE  70          HG22      ILE  70   5.951  14.472   3.125
  521   3HG2  ILE  70          HG23      ILE  70   5.287  13.849   4.635
  522   1HD1  ILE  70          HD11      ILE  70   5.347  14.086   0.062
  523   2HD1  ILE  70          HD12      ILE  70   4.014  13.972   1.212
  524   3HD1  ILE  70          HD13      ILE  70   4.167  12.784  -0.082
  525    H    ASP  71           HN       ASP  71   4.413  10.047   5.166
  526    HA   ASP  71           HA       ASP  71   4.074  11.773   7.411
  527   1HB   ASP  71          HB2       ASP  71   3.429   8.830   7.147
  528   2HB   ASP  71          HB1       ASP  71   2.857   9.895   8.427
  529    H    LYS  72           HN       LYS  72   6.779  10.298   6.565
  530    HA   LYS  72           HA       LYS  72   8.508   9.186   7.616
  531   1HB   LYS  72          HB2       LYS  72   9.505  10.623   9.366
  532   2HB   LYS  72          HB1       LYS  72   9.026  11.516   7.932
  533   1HG   LYS  72          HG2       LYS  72   7.186  11.356  10.280
  534   2HG   LYS  72          HG1       LYS  72   8.538  12.486  10.275
  535   1HD   LYS  72          HD2       LYS  72   7.713  13.518   8.245
  536   2HD   LYS  72          HD1       LYS  72   6.403  12.340   8.149
  537   1HE   LYS  72          HE2       LYS  72   5.512  13.174  10.276
  538   2HE   LYS  72          HE1       LYS  72   6.815  14.359  10.353
  539   1HZ   LYS  72          HZ1       LYS  72   5.979  15.322   8.279
  540   2HZ   LYS  72          HZ2       LYS  72   4.816  15.370   9.506
  541   3HZ   LYS  72          HZ3       LYS  72   4.697  14.216   8.276
  542    H    SER  73           HN       SER  73   6.236   7.813   8.309
  543    HA   SER  73           HA       SER  73   6.488   7.346  11.198
  544   1HB   SER  73          HB2       SER  73   4.341   6.139  11.003
  545   2HB   SER  73          HB1       SER  73   4.209   7.799  10.420
  546    HG   SER  73           HG       SER  73   3.929   7.096   8.428
  547    H    GLY  74           HN       GLY  74   7.689   6.208   8.354
  548   1HA   GLY  74          HA2       GLY  74   9.077   4.371   8.034
  549   2HA   GLY  74          HA1       GLY  74   8.561   3.745   9.593
  550    H    THR  75           HN       THR  75   5.803   4.528   7.976
  551    HA   THR  75           HA       THR  75   5.602   1.860   6.734
  552    HB   THR  75           HB       THR  75   3.261   1.758   7.486
  553    HG1  THR  75           HG1      THR  75   3.064   3.512   9.343
  554   1HG2  THR  75          HG21      THR  75   4.801   2.419   9.952
  555   2HG2  THR  75          HG22      THR  75   5.218   1.004   8.987
  556   3HG2  THR  75          HG23      THR  75   3.604   1.153   9.681
  557    H    ILE  76           HN       ILE  76   5.031   1.897   4.653
  558    HA   ILE  76           HA       ILE  76   4.147   4.422   3.496
  559    HB   ILE  76           HB       ILE  76   5.973   3.405   2.334
  560   1HG1  ILE  76          HG12      ILE  76   3.395   3.014   0.794
  561   2HG1  ILE  76          HG11      ILE  76   4.304   4.515   0.929
  562   1HG2  ILE  76          HG21      ILE  76   5.203   1.090   1.154
  563   2HG2  ILE  76          HG22      ILE  76   4.410   0.952   2.723
  564   3HG2  ILE  76          HG23      ILE  76   6.155   1.189   2.635
  565   1HD1  ILE  76          HD11      ILE  76   5.231   1.991  -0.422
  566   2HD1  ILE  76          HD12      ILE  76   6.173   3.474  -0.264
  567   3HD1  ILE  76          HD13      ILE  76   4.687   3.469  -1.214
  568    H    ASP  77           HN       ASP  77   2.107   4.832   3.047
  569    HA   ASP  77           HA       ASP  77   0.284   2.552   2.616
  570   1HB   ASP  77          HB2       ASP  77  -1.525   3.963   3.584
  571   2HB   ASP  77          HB1       ASP  77  -0.254   3.579   4.741
  572    H    TYR  78           HN       TYR  78  -1.649   3.103   1.304
  573    HA   TYR  78           HA       TYR  78  -0.928   4.139  -1.179
  574   1HB   TYR  78          HB2       TYR  78  -3.642   4.379  -1.246
  575   2HB   TYR  78          HB1       TYR  78  -2.771   2.888  -1.562
  576    HD1  TYR  78           HD1      TYR  78  -3.988   4.781   1.442
  577    HD2  TYR  78           HD2      TYR  78  -3.597   1.036  -0.536
  578    HE1  TYR  78           HE1      TYR  78  -5.176   3.682   3.296
  579    HE2  TYR  78           HE2      TYR  78  -4.780  -0.072   1.302
  580    HH   TYR  78           HH       TYR  78  -5.167   0.414   3.804
  581    H    GLY  79           HN       GLY  79  -1.699   5.831   1.647
  582   1HA   GLY  79          HA2       GLY  79  -2.816   8.163   0.364
  583   2HA   GLY  79          HA1       GLY  79  -2.340   8.026   2.049
  584    H    GLU  80           HN       GLU  80   0.357   7.087   1.356
  585    HA   GLU  80           HA       GLU  80   1.556   9.695   0.936
  586   1HB   GLU  80          HB2       GLU  80   2.864   7.028   1.491
  587   2HB   GLU  80          HB1       GLU  80   3.644   8.603   1.567
  588   1HG   GLU  80          HG2       GLU  80   2.246   9.246   3.425
  589   2HG   GLU  80          HG1       GLU  80   1.360   7.725   3.316
  590    H    PHE  81           HN       PHE  81   1.934   6.445  -0.449
  591    HA   PHE  81           HA       PHE  81   3.662   6.787  -2.471
  592   1HB   PHE  81          HB2       PHE  81   2.610   4.661  -2.129
  593   2HB   PHE  81          HB1       PHE  81   1.029   5.310  -2.549
  594    HD1  PHE  81           HD1      PHE  81   4.382   5.426  -4.201
  595    HD2  PHE  81           HD2      PHE  81   0.265   4.387  -4.493
  596    HE1  PHE  81           HE1      PHE  81   4.723   4.748  -6.542
  597    HE2  PHE  81           HE2      PHE  81   0.598   3.706  -6.833
  598    HZ   PHE  81           HZ       PHE  81   2.829   3.885  -7.861
  599    H    ILE  82           HN       ILE  82   0.297   7.904  -2.534
  600    HA   ILE  82           HA       ILE  82   0.196   8.704  -5.219
  601    HB   ILE  82           HB       ILE  82  -1.241   9.879  -2.835
  602   1HG1  ILE  82          HG12      ILE  82  -2.125   7.855  -4.906
  603   2HG1  ILE  82          HG11      ILE  82  -1.694   7.488  -3.239
  604   1HG2  ILE  82          HG21      ILE  82  -2.818  10.312  -5.044
  605   2HG2  ILE  82          HG22      ILE  82  -1.194  10.651  -5.644
  606   3HG2  ILE  82          HG23      ILE  82  -1.814  11.519  -4.240
  607   1HD1  ILE  82          HD11      ILE  82  -3.578   9.216  -2.693
  608   2HD1  ILE  82          HD12      ILE  82  -3.975   7.549  -3.110
  609   3HD1  ILE  82          HD13      ILE  82  -4.120   8.821  -4.323
  610    H    ALA  83           HN       ALA  83   0.781  10.726  -2.336
  611    HA   ALA  83           HA       ALA  83   1.503  13.037  -3.784
  612   1HB   ALA  83          HB1       ALA  83   0.746  13.086  -1.447
  613   2HB   ALA  83          HB2       ALA  83   2.290  13.911  -1.660
  614   3HB   ALA  83          HB3       ALA  83   2.244  12.295  -0.956
  615    H    ALA  84           HN       ALA  84   3.185  10.150  -3.172
  616    HA   ALA  84           HA       ALA  84   5.843  11.180  -3.144
  617   1HB   ALA  84          HB1       ALA  84   5.775   9.081  -2.225
  618   2HB   ALA  84          HB2       ALA  84   6.311   8.695  -3.860
  619   3HB   ALA  84          HB3       ALA  84   4.619   8.479  -3.413
  620    H    THR  85           HN       THR  85   5.629  12.668  -4.950
  621    HA   THR  85           HA       THR  85   6.710  11.565  -7.349
  622    HB   THR  85           HB       THR  85   4.377  11.053  -7.797
  623    HG1  THR  85           HG1      THR  85   5.208  13.336  -9.259
  624   1HG2  THR  85          HG21      THR  85   2.787  12.997  -8.143
  625   2HG2  THR  85          HG22      THR  85   3.894  13.936  -7.141
  626   3HG2  THR  85          HG23      THR  85   3.105  12.503  -6.480
  627    H    VAL  86           HN       VAL  86   7.936  13.053  -8.361
  628    HA   VAL  86           HA       VAL  86   8.951  15.024  -8.862
  629    HB   VAL  86           HB       VAL  86   6.380  16.304  -7.917
  630   1HG1  VAL  86          HG11      VAL  86   7.081  18.301  -8.843
  631   2HG1  VAL  86          HG12      VAL  86   8.285  17.523  -9.870
  632   3HG1  VAL  86          HG13      VAL  86   8.574  17.681  -8.138
  633   1HG2  VAL  86          HG21      VAL  86   6.658  16.374 -10.732
  634   2HG2  VAL  86          HG22      VAL  86   5.445  15.524  -9.775
  635   3HG2  VAL  86          HG23      VAL  86   6.949  14.714 -10.213
  636    H    HIS  87           HN       HIS  87   7.008  16.289  -6.176
  637    HA   HIS  87           HA       HIS  87   9.443  17.135  -4.838
  638   1HB   HIS  87          HB2       HIS  87   6.529  17.596  -4.173
  639   2HB   HIS  87          HB1       HIS  87   7.878  18.274  -3.269
  640    HD1  HIS  87           HD1      HIS  87   9.631  19.612  -5.100
  641    HD2  HIS  87           HD2      HIS  87   5.558  19.415  -5.901
  642    HE1  HIS  87           HE1      HIS  87   9.172  21.489  -6.708
  643    HE2  HIS  87           HE2      HIS  87   6.704  21.338  -7.197
  Start of MODEL   13
    1   1H    HIS   1           HT1      HIS   1 -19.015  17.695  -3.231
    2   2H    HIS   1           HT2      HIS   1 -17.392  18.153  -3.367
    3   3H    HIS   1           HT3      HIS   1 -17.835  16.536  -3.590
    4    HA   HIS   1           HA       HIS   1 -18.602  18.808  -5.332
    5   1HB   HIS   1          HB2       HIS   1 -16.228  18.137  -5.478
    6   2HB   HIS   1          HB1       HIS   1 -16.723  16.477  -5.790
    7    HD1  HIS   1           HD1      HIS   1 -17.509  19.861  -7.370
    8    HD2  HIS   1           HD2      HIS   1 -16.594  15.947  -8.426
    9    HE1  HIS   1           HE1      HIS   1 -17.461  19.837  -9.884
   10    HE2  HIS   1           HE2      HIS   1 -16.834  17.475 -10.500
   11    H    SER   2           HN       SER   2 -18.568  15.266  -4.945
   12    HA   SER   2           HA       SER   2 -20.774  15.044  -6.849
   13   1HB   SER   2          HB2       SER   2 -20.352  12.613  -6.731
   14   2HB   SER   2          HB1       SER   2 -18.891  13.508  -7.149
   15    HG   SER   2           HG       SER   2 -18.114  13.196  -5.112
   16    H    SER   3           HN       SER   3 -22.620  13.664  -6.319
   17    HA   SER   3           HA       SER   3 -23.760  14.397  -3.819
   18   1HB   SER   3          HB2       SER   3 -25.691  13.007  -4.567
   19   2HB   SER   3          HB1       SER   3 -25.182  14.194  -5.766
   20    HG   SER   3           HG       SER   3 -23.794  12.040  -6.272
   21    H    GLY   4           HN       GLY   4 -23.499  11.106  -5.138
   22   1HA   GLY   4          HA2       GLY   4 -22.046   9.556  -3.768
   23   2HA   GLY   4          HA1       GLY   4 -22.942  10.178  -2.391
   24    H    HIS   5           HN       HIS   5 -23.477   8.609  -5.539
   25    HA   HIS   5           HA       HIS   5 -25.552   6.968  -4.249
   26   1HB   HIS   5          HB2       HIS   5 -25.636   8.268  -6.971
   27   2HB   HIS   5          HB1       HIS   5 -26.723   6.971  -6.491
   28    HD1  HIS   5           HD1      HIS   5 -27.931   7.647  -3.989
   29    HD2  HIS   5           HD2      HIS   5 -26.809  10.666  -6.615
   30    HE1  HIS   5           HE1      HIS   5 -29.278   9.660  -3.314
   31    HE2  HIS   5           HE2      HIS   5 -28.657  11.444  -4.981
   32    H    ILE   6           HN       ILE   6 -22.609   6.706  -5.129
   33    HA   ILE   6           HA       ILE   6 -22.800   4.472  -6.990
   34    HB   ILE   6           HB       ILE   6 -20.378   5.792  -5.752
   35   1HG1  ILE   6          HG12      ILE   6 -19.995   6.508  -8.158
   36   2HG1  ILE   6          HG11      ILE   6 -21.636   5.968  -8.495
   37   1HG2  ILE   6          HG21      ILE   6 -19.366   3.856  -6.237
   38   2HG2  ILE   6          HG22      ILE   6 -19.472   4.395  -7.913
   39   3HG2  ILE   6          HG23      ILE   6 -20.695   3.305  -7.258
   40   1HD1  ILE   6          HD11      ILE   6 -21.532   7.756  -6.223
   41   2HD1  ILE   6          HD12      ILE   6 -22.504   7.842  -7.692
   42   3HD1  ILE   6          HD13      ILE   6 -20.861   8.485  -7.682
   43    H    ASP   7           HN       ASP   7 -23.027   2.461  -6.291
   44    HA   ASP   7           HA       ASP   7 -22.539   1.837  -3.491
   45   1HB   ASP   7          HB2       ASP   7 -23.681  -0.280  -3.976
   46   2HB   ASP   7          HB1       ASP   7 -24.642   1.093  -4.515
   47    H    ASP   8           HN       ASP   8 -20.280   2.348  -5.224
   48    HA   ASP   8           HA       ASP   8 -18.982  -0.296  -5.132
   49   1HB   ASP   8          HB2       ASP   8 -19.237   0.505  -7.439
   50   2HB   ASP   8          HB1       ASP   8 -18.401   1.996  -7.021
   51    H    ASP   9           HN       ASP   9 -19.035   2.856  -3.912
   52    HA   ASP   9           HA       ASP   9 -16.589   2.360  -2.429
   53   1HB   ASP   9          HB2       ASP   9 -15.637   4.580  -2.974
   54   2HB   ASP   9          HB1       ASP   9 -15.731   3.522  -4.378
   55    H    ASP  10           HN       ASP  10 -19.581   4.044  -2.886
   56    HA   ASP  10           HA       ASP  10 -19.294   5.448  -0.343
   57   1HB   ASP  10          HB2       ASP  10 -20.102   6.803  -2.159
   58   2HB   ASP  10          HB1       ASP  10 -21.353   5.622  -2.534
   59    H    LYS  11           HN       LYS  11 -21.697   3.437  -1.977
   60    HA   LYS  11           HA       LYS  11 -22.959   2.791   0.559
   61   1HB   LYS  11          HB2       LYS  11 -23.675   1.947  -2.254
   62   2HB   LYS  11          HB1       LYS  11 -24.642   1.639  -0.819
   63   1HG   LYS  11          HG2       LYS  11 -23.956   4.366  -1.897
   64   2HG   LYS  11          HG1       LYS  11 -25.486   3.524  -2.141
   65   1HD   LYS  11          HD2       LYS  11 -24.343   4.297   0.544
   66   2HD   LYS  11          HD1       LYS  11 -25.583   5.202  -0.325
   67   1HE   LYS  11          HE2       LYS  11 -27.060   3.249  -0.239
   68   2HE   LYS  11          HE1       LYS  11 -25.820   2.351   0.636
   69   1HZ   LYS  11          HZ1       LYS  11 -27.003   3.102   2.391
   70   2HZ   LYS  11          HZ2       LYS  11 -27.600   4.457   1.575
   71   3HZ   LYS  11          HZ3       LYS  11 -26.027   4.471   2.197
   72    H    HIS  12           HN       HIS  12 -20.475   1.557  -1.306
   73    HA   HIS  12           HA       HIS  12 -20.897  -1.222  -1.063
   74   1HB   HIS  12          HB2       HIS  12 -18.814  -1.450  -2.009
   75   2HB   HIS  12          HB1       HIS  12 -19.183   0.194  -2.499
   76    HD1  HIS  12           HD1      HIS  12 -18.314   1.949  -0.354
   77    HD2  HIS  12           HD2      HIS  12 -16.262  -1.571  -1.168
   78    HE1  HIS  12           HE1      HIS  12 -16.018   2.269   0.623
   79    HE2  HIS  12           HE2      HIS  12 -14.827   0.088   0.204
   80    H    MET  13           HN       MET  13 -20.108   1.182   1.156
   81    HA   MET  13           HA       MET  13 -18.390  -0.006   2.961
   82   1HB   MET  13          HB2       MET  13 -19.503   1.414   4.692
   83   2HB   MET  13          HB1       MET  13 -19.014   2.280   3.245
   84   1HG   MET  13          HG2       MET  13 -21.139   3.099   3.834
   85   2HG   MET  13          HG1       MET  13 -21.379   2.057   2.435
   86   1HE   MET  13          HE1       MET  13 -20.684   1.237   6.107
   87   2HE   MET  13          HE2       MET  13 -22.214   0.613   6.724
   88   3HE   MET  13          HE3       MET  13 -22.022   2.341   6.426
   89    H    ALA  14           HN       ALA  14 -21.595  -0.956   2.210
   90    HA   ALA  14           HA       ALA  14 -22.393  -2.120   4.636
   91   1HB   ALA  14          HB1       ALA  14 -23.308  -3.632   2.354
   92   2HB   ALA  14          HB2       ALA  14 -23.445  -1.896   2.071
   93   3HB   ALA  14          HB3       ALA  14 -24.221  -2.625   3.477
   94    H    GLU  15           HN       GLU  15 -20.306  -3.282   2.070
   95    HA   GLU  15           HA       GLU  15 -19.692  -5.637   3.721
   96   1HB   GLU  15          HB2       GLU  15 -19.931  -5.572   0.709
   97   2HB   GLU  15          HB1       GLU  15 -19.392  -6.953   1.654
   98   1HG   GLU  15          HG2       GLU  15 -21.575  -7.065   2.740
   99   2HG   GLU  15          HG1       GLU  15 -22.116  -5.679   1.795
  100    H    ARG  16           HN       ARG  16 -18.289  -3.151   3.721
  101    HA   ARG  16           HA       ARG  16 -15.925  -3.530   2.087
  102   1HB   ARG  16          HB2       ARG  16 -15.169  -1.431   2.921
  103   2HB   ARG  16          HB1       ARG  16 -16.890  -1.262   2.607
  104   1HG   ARG  16          HG2       ARG  16 -17.369  -1.506   4.975
  105   2HG   ARG  16          HG1       ARG  16 -15.652  -1.742   5.311
  106   1HD   ARG  16          HD2       ARG  16 -15.242   0.520   4.309
  107   2HD   ARG  16          HD1       ARG  16 -16.990   0.738   4.244
  108    HE   ARG  16           HE       ARG  16 -15.351   1.126   6.493
  109   1HH1  ARG  16          HH11      ARG  16 -18.426  -0.265   5.623
  110   2HH1  ARG  16          HH12      ARG  16 -19.121  -0.024   7.191
  111   1HH2  ARG  16          HH21      ARG  16 -16.260   1.448   8.553
  112   2HH2  ARG  16          HH22      ARG  16 -17.891   0.950   8.855
  113    H    LEU  17           HN       LEU  17 -16.884  -5.253   4.501
  114    HA   LEU  17           HA       LEU  17 -14.795  -5.066   6.429
  115   1HB   LEU  17          HB2       LEU  17 -16.742  -7.291   5.816
  116   2HB   LEU  17          HB1       LEU  17 -15.635  -7.304   7.173
  117    HG   LEU  17           HG       LEU  17 -17.826  -6.677   7.942
  118   1HD1  LEU  17          HD11      LEU  17 -16.228  -4.136   7.885
  119   2HD1  LEU  17          HD12      LEU  17 -15.758  -5.534   8.852
  120   3HD1  LEU  17          HD13      LEU  17 -17.301  -4.733   9.151
  121   1HD2  LEU  17          HD21      LEU  17 -18.537  -5.773   5.675
  122   2HD2  LEU  17          HD22      LEU  17 -17.767  -4.262   6.159
  123   3HD2  LEU  17          HD23      LEU  17 -19.113  -4.907   7.098
  124    H    SER  18           HN       SER  18 -12.745  -5.409   5.856
  125    HA   SER  18           HA       SER  18 -12.050  -7.970   4.658
  126   1HB   SER  18          HB2       SER  18 -10.550  -6.898   2.992
  127   2HB   SER  18          HB1       SER  18 -12.251  -6.527   2.708
  128    HG   SER  18           HG       SER  18 -11.908  -4.489   3.215
  129    H    GLU  19           HN       GLU  19 -10.972  -8.636   6.456
  130    HA   GLU  19           HA       GLU  19  -9.179  -6.959   7.916
  131   1HB   GLU  19          HB2       GLU  19  -9.524  -9.962   7.963
  132   2HB   GLU  19          HB1       GLU  19  -8.596  -9.030   9.130
  133   1HG   GLU  19          HG2       GLU  19 -10.623  -7.865   9.821
  134   2HG   GLU  19          HG1       GLU  19 -11.557  -8.788   8.645
  135    H    GLU  20           HN       GLU  20  -8.917  -8.700   5.036
  136    HA   GLU  20           HA       GLU  20  -6.165  -9.436   5.179
  137   1HB   GLU  20          HB2       GLU  20  -7.931  -9.020   2.761
  138   2HB   GLU  20          HB1       GLU  20  -6.367  -9.825   2.762
  139   1HG   GLU  20          HG2       GLU  20  -7.253 -11.569   4.212
  140   2HG   GLU  20          HG1       GLU  20  -8.817 -10.755   4.242
  141    H    GLU  21           HN       GLU  21  -7.800  -6.487   4.614
  142    HA   GLU  21           HA       GLU  21  -5.294  -5.283   3.638
  143   1HB   GLU  21          HB2       GLU  21  -8.123  -4.406   3.033
  144   2HB   GLU  21          HB1       GLU  21  -6.665  -3.585   2.493
  145   1HG   GLU  21          HG2       GLU  21  -6.032  -5.559   1.201
  146   2HG   GLU  21          HG1       GLU  21  -7.495  -6.380   1.742
  147    H    ILE  22           HN       ILE  22  -8.302  -4.557   5.393
  148    HA   ILE  22           HA       ILE  22  -7.559  -2.129   6.508
  149    HB   ILE  22           HB       ILE  22  -9.336  -4.237   7.745
  150   1HG1  ILE  22          HG12      ILE  22 -10.020  -1.891   5.958
  151   2HG1  ILE  22          HG11      ILE  22 -10.009  -3.579   5.458
  152   1HG2  ILE  22          HG21      ILE  22 -10.412  -2.094   8.720
  153   2HG2  ILE  22          HG22      ILE  22  -8.848  -1.354   8.381
  154   3HG2  ILE  22          HG23      ILE  22  -8.952  -2.736   9.471
  155   1HD1  ILE  22          HD11      ILE  22 -12.080  -2.065   6.744
  156   2HD1  ILE  22          HD12      ILE  22 -11.662  -3.486   7.702
  157   3HD1  ILE  22          HD13      ILE  22 -12.147  -3.670   6.016
  158    H    GLY  23           HN       GLY  23  -6.283  -5.223   7.182
  159   1HA   GLY  23          HA2       GLY  23  -5.680  -5.161   9.879
  160   2HA   GLY  23          HA1       GLY  23  -4.650  -5.895   8.659
  161    H    GLY  24           HN       GLY  24  -3.346  -4.180   7.361
  162   1HA   GLY  24          HA2       GLY  24  -1.997  -2.514   9.361
  163   2HA   GLY  24          HA1       GLY  24  -1.338  -2.997   7.805
  164    H    LEU  25           HN       LEU  25  -4.197  -2.219   6.822
  165    HA   LEU  25           HA       LEU  25  -3.542   0.176   5.592
  166   1HB   LEU  25          HB2       LEU  25  -5.331  -1.393   4.903
  167   2HB   LEU  25          HB1       LEU  25  -6.297  -0.863   6.262
  168    HG   LEU  25           HG       LEU  25  -5.403   1.171   4.260
  169   1HD1  LEU  25          HD11      LEU  25  -6.264  -0.638   2.888
  170   2HD1  LEU  25          HD12      LEU  25  -7.411   0.701   2.922
  171   3HD1  LEU  25          HD13      LEU  25  -7.708  -0.740   3.895
  172   1HD2  LEU  25          HD21      LEU  25  -7.922   1.782   4.852
  173   2HD2  LEU  25          HD22      LEU  25  -6.575   2.263   5.883
  174   3HD2  LEU  25          HD23      LEU  25  -7.539   0.846   6.297
  175    H    LYS  26           HN       LYS  26  -4.291  -0.287   8.854
  176    HA   LYS  26           HA       LYS  26  -5.491   2.329   9.214
  177   1HB   LYS  26          HB2       LYS  26  -4.732   0.191  11.202
  178   2HB   LYS  26          HB1       LYS  26  -5.539   1.696  11.617
  179   1HG   LYS  26          HG2       LYS  26  -7.433   1.065  10.200
  180   2HG   LYS  26          HG1       LYS  26  -6.623  -0.452   9.808
  181   1HD   LYS  26          HD2       LYS  26  -8.220  -0.903  11.526
  182   2HD   LYS  26          HD1       LYS  26  -6.616  -0.987  12.252
  183   1HE   LYS  26          HE2       LYS  26  -8.401   1.440  12.367
  184   2HE   LYS  26          HE1       LYS  26  -8.325   0.212  13.628
  185   1HZ   LYS  26          HZ1       LYS  26  -6.489   2.350  13.029
  186   2HZ   LYS  26          HZ2       LYS  26  -5.732   0.860  13.288
  187   3HZ   LYS  26          HZ3       LYS  26  -6.741   1.513  14.478
  188    H    GLU  27           HN       GLU  27  -2.755   0.760  10.898
  189    HA   GLU  27           HA       GLU  27  -1.645   3.373  11.472
  190   1HB   GLU  27          HB2       GLU  27  -0.702   0.627  12.276
  191   2HB   GLU  27          HB1       GLU  27  -0.074   2.148  12.896
  192   1HG   GLU  27          HG2       GLU  27  -2.258   2.670  13.851
  193   2HG   GLU  27          HG1       GLU  27  -2.894   1.148  13.226
  194    H    LEU  28           HN       LEU  28  -0.041   0.383  10.412
  195    HA   LEU  28           HA       LEU  28   2.245   1.741   9.494
  196   1HB   LEU  28          HB2       LEU  28   1.294  -1.069   9.015
  197   2HB   LEU  28          HB1       LEU  28   2.873  -0.476   8.537
  198    HG   LEU  28           HG       LEU  28   1.848  -0.597  11.375
  199   1HD1  LEU  28          HD11      LEU  28   3.933  -2.291  10.011
  200   2HD1  LEU  28          HD12      LEU  28   2.280  -2.806  10.347
  201   3HD1  LEU  28          HD13      LEU  28   3.374  -2.431  11.679
  202   1HD2  LEU  28          HD21      LEU  28   4.470  -0.308  11.651
  203   2HD2  LEU  28          HD22      LEU  28   3.387   1.078  11.524
  204   3HD2  LEU  28          HD23      LEU  28   4.286   0.529  10.109
  205    H    PHE  29           HN       PHE  29   0.114  -0.271   7.460
  206    HA   PHE  29           HA       PHE  29   1.076   0.231   5.034
  207   1HB   PHE  29          HB2       PHE  29  -1.063  -1.049   5.686
  208   2HB   PHE  29          HB1       PHE  29  -1.894   0.467   5.344
  209    HD1  PHE  29           HD1      PHE  29   0.077  -2.271   3.907
  210    HD2  PHE  29           HD2      PHE  29  -2.107   1.289   3.100
  211    HE1  PHE  29           HE1      PHE  29   0.100  -2.807   1.511
  212    HE2  PHE  29           HE2      PHE  29  -2.092   0.755   0.703
  213    HZ   PHE  29           HZ       PHE  29  -0.988  -1.295  -0.097
  214    H    LYS  30           HN       LYS  30  -1.122   2.542   6.652
  215    HA   LYS  30           HA       LYS  30  -1.236   4.359   4.501
  216   1HB   LYS  30          HB2       LYS  30  -1.556   4.826   7.468
  217   2HB   LYS  30          HB1       LYS  30  -1.902   6.036   6.239
  218   1HG   LYS  30          HG2       LYS  30  -3.604   4.563   5.278
  219   2HG   LYS  30          HG1       LYS  30  -3.265   3.368   6.530
  220   1HD   LYS  30          HD2       LYS  30  -5.229   4.647   7.130
  221   2HD   LYS  30          HD1       LYS  30  -3.913   5.020   8.244
  222   1HE   LYS  30          HE2       LYS  30  -3.443   7.073   7.012
  223   2HE   LYS  30          HE1       LYS  30  -4.732   6.693   5.870
  224   1HZ   LYS  30          HZ1       LYS  30  -6.225   7.564   7.237
  225   2HZ   LYS  30          HZ2       LYS  30  -4.962   8.117   8.216
  226   3HZ   LYS  30          HZ3       LYS  30  -5.692   6.626   8.541
  227    H    MET  31           HN       MET  31   0.815   4.352   7.396
  228    HA   MET  31           HA       MET  31   2.312   6.641   6.721
  229   1HB   MET  31          HB2       MET  31   2.177   5.688   8.999
  230   2HB   MET  31          HB1       MET  31   3.115   4.303   8.461
  231   1HG   MET  31          HG2       MET  31   4.995   5.797   7.949
  232   2HG   MET  31          HG1       MET  31   4.054   7.161   8.548
  233   1HE   MET  31          HE1       MET  31   4.158   3.490  10.085
  234   2HE   MET  31          HE2       MET  31   5.533   3.664  11.176
  235   3HE   MET  31          HE3       MET  31   5.771   3.777   9.432
  236    H    ILE  32           HN       ILE  32   2.334   3.516   5.400
  237    HA   ILE  32           HA       ILE  32   5.121   3.661   4.539
  238    HB   ILE  32           HB       ILE  32   3.049   1.521   4.020
  239   1HG1  ILE  32          HG12      ILE  32   5.366   1.569   5.969
  240   2HG1  ILE  32          HG11      ILE  32   3.669   1.742   6.405
  241   1HG2  ILE  32          HG21      ILE  32   4.812   0.176   3.155
  242   2HG2  ILE  32          HG22      ILE  32   6.030   1.360   3.629
  243   3HG2  ILE  32          HG23      ILE  32   4.895   1.734   2.332
  244   1HD1  ILE  32          HD11      ILE  32   3.561  -0.452   6.635
  245   2HD1  ILE  32          HD12      ILE  32   5.211  -0.631   6.039
  246   3HD1  ILE  32          HD13      ILE  32   3.861  -0.621   4.905
  247    H    ASP  33           HN       ASP  33   1.967   3.112   3.025
  248    HA   ASP  33           HA       ASP  33   2.798   3.582   0.392
  249   1HB   ASP  33          HB2       ASP  33   0.603   2.518   1.294
  250   2HB   ASP  33          HB1       ASP  33   0.011   4.174   1.363
  251    H    THR  34           HN       THR  34   3.929   5.460   0.074
  252    HA   THR  34           HA       THR  34   3.355   7.948   1.227
  253    HB   THR  34           HB       THR  34   4.656   7.369  -1.448
  254    HG1  THR  34           HG1      THR  34   5.543   6.438   0.604
  255   1HG2  THR  34          HG21      THR  34   4.682   9.586  -1.666
  256   2HG2  THR  34          HG22      THR  34   5.932   9.540  -0.422
  257   3HG2  THR  34          HG23      THR  34   4.255   9.856   0.024
  258    H    ASP  35           HN       ASP  35   1.637   6.131  -0.961
  259    HA   ASP  35           HA       ASP  35   0.234   8.443  -2.081
  260   1HB   ASP  35          HB2       ASP  35   1.295   6.764  -3.632
  261   2HB   ASP  35          HB1       ASP  35   0.124   5.595  -3.038
  262    H    ASN  36           HN       ASN  36  -0.088   5.793   0.111
  263    HA   ASN  36           HA       ASN  36  -1.869   4.977   1.278
  264   1HB   ASN  36          HB2       ASN  36  -2.838   7.806   0.822
  265   2HB   ASN  36          HB1       ASN  36  -3.568   6.677   1.959
  266   1HD2  ASN  36          HD21      ASN  36  -1.499   9.186   1.697
  267   2HD2  ASN  36          HD22      ASN  36  -0.532   8.923   3.105
  268    H    SER  37           HN       SER  37  -1.987   5.115  -1.847
  269    HA   SER  37           HA       SER  37  -4.802   5.163  -2.422
  270   1HB   SER  37          HB2       SER  37  -4.182   4.374  -4.645
  271   2HB   SER  37          HB1       SER  37  -3.087   5.666  -4.156
  272    HG   SER  37           HG       SER  37  -1.874   3.603  -3.315
  273    H    GLY  38           HN       GLY  38  -2.600   2.960  -1.133
  274   1HA   GLY  38          HA2       GLY  38  -3.552   1.011   0.002
  275   2HA   GLY  38          HA1       GLY  38  -4.624   0.808  -1.372
  276    H    THR  39           HN       THR  39  -1.623   1.663  -2.508
  277    HA   THR  39           HA       THR  39  -0.503  -1.024  -2.488
  278    HB   THR  39           HB       THR  39  -0.244  -1.025  -4.969
  279    HG1  THR  39           HG1      THR  39  -1.421   0.424  -6.180
  280   1HG2  THR  39          HG21      THR  39  -2.813  -1.221  -5.462
  281   2HG2  THR  39          HG22      THR  39  -2.922  -1.168  -3.702
  282   3HG2  THR  39          HG23      THR  39  -1.970  -2.426  -4.489
  283    H    ILE  40           HN       ILE  40   1.677  -0.967  -2.398
  284    HA   ILE  40           HA       ILE  40   2.934   1.669  -2.802
  285    HB   ILE  40           HB       ILE  40   3.840  -0.718  -1.192
  286   1HG1  ILE  40          HG12      ILE  40   3.874   1.031   0.631
  287   2HG1  ILE  40          HG11      ILE  40   3.065   2.111  -0.501
  288   1HG2  ILE  40          HG21      ILE  40   5.436   1.354  -2.429
  289   2HG2  ILE  40          HG22      ILE  40   5.943  -0.115  -1.595
  290   3HG2  ILE  40          HG23      ILE  40   5.608   1.351  -0.674
  291   1HD1  ILE  40          HD11      ILE  40   1.852   0.396   1.267
  292   2HD1  ILE  40          HD12      ILE  40   1.745  -0.465  -0.269
  293   3HD1  ILE  40          HD13      ILE  40   1.089   1.165  -0.123
  294    H    THR  41           HN       THR  41   4.467   1.998  -4.305
  295    HA   THR  41           HA       THR  41   5.597  -0.355  -5.673
  296    HB   THR  41           HB       THR  41   5.472   0.817  -7.806
  297    HG1  THR  41           HG1      THR  41   5.049   2.865  -7.919
  298   1HG2  THR  41          HG21      THR  41   3.185  -0.053  -6.398
  299   2HG2  THR  41          HG22      THR  41   3.449   0.009  -8.141
  300   3HG2  THR  41          HG23      THR  41   2.743   1.393  -7.305
  301    H    PHE  42           HN       PHE  42   7.761  -0.216  -6.143
  302    HA   PHE  42           HA       PHE  42   9.570   0.997  -4.657
  303   1HB   PHE  42          HB2       PHE  42  10.139  -0.619  -6.380
  304   2HB   PHE  42          HB1       PHE  42   9.784   0.557  -7.639
  305    HD1  PHE  42           HD1      PHE  42  11.763   0.737  -4.488
  306    HD2  PHE  42           HD2      PHE  42  11.709   1.129  -8.721
  307    HE1  PHE  42           HE1      PHE  42  14.099   1.478  -4.443
  308    HE2  PHE  42           HE2      PHE  42  14.048   1.872  -8.686
  309    HZ   PHE  42           HZ       PHE  42  15.256   2.049  -6.545
  310    H    ASP  43           HN       ASP  43   8.299   2.490  -7.639
  311    HA   ASP  43           HA       ASP  43   9.794   4.841  -7.561
  312   1HB   ASP  43          HB2       ASP  43   8.407   4.135  -9.485
  313   2HB   ASP  43          HB1       ASP  43   6.955   4.493  -8.557
  314    H    GLU  44           HN       GLU  44   6.687   4.069  -6.072
  315    HA   GLU  44           HA       GLU  44   6.462   6.670  -4.818
  316   1HB   GLU  44          HB2       GLU  44   4.770   4.227  -4.290
  317   2HB   GLU  44          HB1       GLU  44   4.343   5.911  -4.020
  318   1HG   GLU  44          HG2       GLU  44   4.322   6.300  -6.417
  319   2HG   GLU  44          HG1       GLU  44   4.788   4.629  -6.705
  320    H    LEU  45           HN       LEU  45   7.770   3.590  -4.067
  321    HA   LEU  45           HA       LEU  45   7.504   3.611  -1.277
  322   1HB   LEU  45          HB2       LEU  45   8.018   1.589  -2.553
  323   2HB   LEU  45          HB1       LEU  45   9.596   2.244  -2.954
  324    HG   LEU  45           HG       LEU  45  10.176   2.256  -0.545
  325   1HD1  LEU  45          HD11      LEU  45   8.140   0.418   0.322
  326   2HD1  LEU  45          HD12      LEU  45   7.425   1.945  -0.195
  327   3HD1  LEU  45          HD13      LEU  45   8.672   1.932   1.052
  328   1HD2  LEU  45          HD21      LEU  45   9.629  -0.487  -0.566
  329   2HD2  LEU  45          HD22      LEU  45  11.104   0.325  -1.093
  330   3HD2  LEU  45          HD23      LEU  45   9.822  -0.015  -2.255
  331    H    LYS  46           HN       LYS  46  10.473   4.094  -3.177
  332    HA   LYS  46           HA       LYS  46  12.047   5.069  -1.111
  333   1HB   LYS  46          HB2       LYS  46  13.518   5.958  -2.873
  334   2HB   LYS  46          HB1       LYS  46  12.994   4.315  -3.215
  335   1HG   LYS  46          HG2       LYS  46  11.321   5.171  -4.777
  336   2HG   LYS  46          HG1       LYS  46  11.851   6.819  -4.437
  337   1HD   LYS  46          HD2       LYS  46  13.593   4.640  -5.589
  338   2HD   LYS  46          HD1       LYS  46  12.812   5.914  -6.527
  339   1HE   LYS  46          HE2       LYS  46  14.844   6.324  -4.334
  340   2HE   LYS  46          HE1       LYS  46  15.159   6.438  -6.064
  341   1HZ   LYS  46          HZ1       LYS  46  13.024   8.110  -5.586
  342   2HZ   LYS  46          HZ2       LYS  46  14.619   8.569  -5.905
  343   3HZ   LYS  46          HZ3       LYS  46  14.094   8.396  -4.306
  344    H    ASP  47           HN       ASP  47   9.787   6.745  -3.186
  345    HA   ASP  47           HA       ASP  47  10.541   9.388  -2.726
  346   1HB   ASP  47          HB2       ASP  47   8.851   8.549  -4.401
  347   2HB   ASP  47          HB1       ASP  47   7.707   8.410  -3.073
  348    H    GLY  48           HN       GLY  48   9.261   7.098  -0.592
  349   1HA   GLY  48          HA2       GLY  48   8.053   9.069   1.189
  350   2HA   GLY  48          HA1       GLY  48   8.047   7.325   1.410
  351    H    LEU  49           HN       LEU  49  10.812   6.884   1.074
  352    HA   LEU  49           HA       LEU  49  11.729   7.820   3.674
  353   1HB   LEU  49          HB2       LEU  49  12.874   5.781   1.766
  354   2HB   LEU  49          HB1       LEU  49  13.576   6.186   3.321
  355    HG   LEU  49           HG       LEU  49  10.850   4.958   2.889
  356   1HD1  LEU  49          HD11      LEU  49  12.033   3.081   4.215
  357   2HD1  LEU  49          HD12      LEU  49  13.519   3.843   3.649
  358   3HD1  LEU  49          HD13      LEU  49  12.342   3.235   2.486
  359   1HD2  LEU  49          HD21      LEU  49  11.948   6.395   5.108
  360   2HD2  LEU  49          HD22      LEU  49  11.717   4.704   5.556
  361   3HD2  LEU  49          HD23      LEU  49  10.359   5.648   4.941
  362    H    LYS  50           HN       LYS  50  12.055   8.653   0.425
  363    HA   LYS  50           HA       LYS  50  14.712   9.735   0.693
  364   1HB   LYS  50          HB2       LYS  50  14.652  10.245  -1.600
  365   2HB   LYS  50          HB1       LYS  50  13.790   8.720  -1.452
  366   1HG   LYS  50          HG2       LYS  50  11.669   9.851  -1.626
  367   2HG   LYS  50          HG1       LYS  50  12.476  11.419  -1.651
  368   1HD   LYS  50          HD2       LYS  50  12.863   9.252  -3.716
  369   2HD   LYS  50          HD1       LYS  50  11.781  10.633  -3.899
  370   1HE   LYS  50          HE2       LYS  50  13.692  12.152  -3.677
  371   2HE   LYS  50          HE1       LYS  50  14.770  10.768  -3.502
  372   1HZ   LYS  50          HZ1       LYS  50  14.935  10.685  -5.694
  373   2HZ   LYS  50          HZ2       LYS  50  13.862  11.981  -5.862
  374   3HZ   LYS  50          HZ3       LYS  50  13.273  10.396  -5.827
  375    H    ARG  51           HN       ARG  51  11.393  10.887   0.378
  376    HA   ARG  51           HA       ARG  51  11.949  13.644   0.360
  377   1HB   ARG  51          HB2       ARG  51   9.752  12.678  -0.223
  378   2HB   ARG  51          HB1       ARG  51   9.515  12.220   1.456
  379   1HG   ARG  51          HG2       ARG  51   8.259  14.198   1.038
  380   2HG   ARG  51          HG1       ARG  51   9.625  14.629   2.066
  381   1HD   ARG  51          HD2       ARG  51   9.585  14.971  -0.929
  382   2HD   ARG  51          HD1       ARG  51   9.159  16.242   0.214
  383    HE   ARG  51           HE       ARG  51  11.687  15.281   0.901
  384   1HH1  ARG  51          HH11      ARG  51  10.144  16.989  -1.715
  385   2HH1  ARG  51          HH12      ARG  51  11.576  17.851  -2.168
  386   1HH2  ARG  51          HH21      ARG  51  13.577  16.415   0.312
  387   2HH2  ARG  51          HH22      ARG  51  13.526  17.525  -1.016
  388    H    VAL  52           HN       VAL  52  12.273  11.326   2.805
  389    HA   VAL  52           HA       VAL  52  11.868  13.051   5.064
  390    HB   VAL  52           HB       VAL  52  13.192  10.342   4.842
  391   1HG1  VAL  52          HG11      VAL  52  13.758  10.426   6.989
  392   2HG1  VAL  52          HG12      VAL  52  12.175  11.049   7.454
  393   3HG1  VAL  52          HG13      VAL  52  13.439  12.158   6.923
  394   1HG2  VAL  52          HG21      VAL  52  10.669  10.562   6.280
  395   2HG2  VAL  52          HG22      VAL  52  11.168   9.418   5.035
  396   3HG2  VAL  52          HG23      VAL  52  10.540  11.001   4.577
  397    H    GLY  53           HN       GLY  53  14.567  12.079   3.058
  398   1HA   GLY  53          HA2       GLY  53  16.773  12.717   3.017
  399   2HA   GLY  53          HA1       GLY  53  16.174  14.251   3.626
  400    H    SER  54           HN       SER  54  16.363  11.015   5.125
  401    HA   SER  54           HA       SER  54  17.578  12.267   7.464
  402   1HB   SER  54          HB2       SER  54  17.182  10.025   8.530
  403   2HB   SER  54          HB1       SER  54  15.718  10.820   7.952
  404    HG   SER  54           HG       SER  54  15.965   9.504   6.021
  405    H    GLU  55           HN       GLU  55  18.234   8.932   6.744
  406    HA   GLU  55           HA       GLU  55  20.934   9.525   5.829
  407   1HB   GLU  55          HB2       GLU  55  21.874   7.943   7.549
  408   2HB   GLU  55          HB1       GLU  55  21.296   9.476   8.183
  409   1HG   GLU  55          HG2       GLU  55  20.623   7.746   9.673
  410   2HG   GLU  55          HG1       GLU  55  19.189   8.349   8.846
  411    H    LEU  56           HN       LEU  56  18.402   8.232   4.862
  412    HA   LEU  56           HA       LEU  56  19.214   5.463   4.488
  413   1HB   LEU  56          HB2       LEU  56  16.747   6.973   3.657
  414   2HB   LEU  56          HB1       LEU  56  17.038   5.288   3.266
  415    HG   LEU  56           HG       LEU  56  16.796   6.416   6.061
  416   1HD1  LEU  56          HD11      LEU  56  14.610   5.900   6.069
  417   2HD1  LEU  56          HD12      LEU  56  14.833   4.474   5.057
  418   3HD1  LEU  56          HD13      LEU  56  14.758   6.075   4.321
  419   1HD2  LEU  56          HD21      LEU  56  16.965   3.552   5.131
  420   2HD2  LEU  56          HD22      LEU  56  16.800   4.112   6.795
  421   3HD2  LEU  56          HD23      LEU  56  18.277   4.452   5.893
  422    H    MET  57           HN       MET  57  19.559   4.486   2.553
  423    HA   MET  57           HA       MET  57  20.256   6.298   0.346
  424   1HB   MET  57          HB2       MET  57  22.152   5.030   1.396
  425   2HB   MET  57          HB1       MET  57  21.370   3.538   0.891
  426   1HG   MET  57          HG2       MET  57  21.586   4.193  -1.439
  427   2HG   MET  57          HG1       MET  57  22.325   5.716  -0.953
  428   1HE   MET  57          HE1       MET  57  24.017   5.615   0.924
  429   2HE   MET  57          HE2       MET  57  25.541   5.337   0.083
  430   3HE   MET  57          HE3       MET  57  25.010   4.218   1.338
  431    H    GLU  58           HN       GLU  58  19.400   5.927  -1.614
  432    HA   GLU  58           HA       GLU  58  16.992   4.609  -1.934
  433   1HB   GLU  58          HB2       GLU  58  17.341   4.869  -4.349
  434   2HB   GLU  58          HB1       GLU  58  17.765   6.327  -3.466
  435   1HG   GLU  58          HG2       GLU  58  20.124   5.758  -3.633
  436   2HG   GLU  58          HG1       GLU  58  19.712   4.273  -4.489
  437    H    SER  59           HN       SER  59  20.008   3.220  -1.648
  438    HA   SER  59           HA       SER  59  19.652   0.950  -3.359
  439   1HB   SER  59          HB2       SER  59  21.679   0.079  -2.252
  440   2HB   SER  59          HB1       SER  59  21.896   1.744  -2.791
  441    HG   SER  59           HG       SER  59  21.221   0.946  -0.151
  442    H    GLU  60           HN       GLU  60  18.970   1.691  -0.016
  443    HA   GLU  60           HA       GLU  60  18.511  -1.009   0.791
  444   1HB   GLU  60          HB2       GLU  60  17.649   1.594   2.065
  445   2HB   GLU  60          HB1       GLU  60  17.565   0.013   2.827
  446   1HG   GLU  60          HG2       GLU  60  19.994  -0.181   2.705
  447   2HG   GLU  60          HG1       GLU  60  20.081   1.404   1.938
  448    H    ILE  61           HN       ILE  61  16.668   1.442  -0.779
  449    HA   ILE  61           HA       ILE  61  14.064   0.607  -0.099
  450    HB   ILE  61           HB       ILE  61  14.921   1.912  -2.684
  451   1HG1  ILE  61          HG12      ILE  61  15.768   3.187  -0.771
  452   2HG1  ILE  61          HG11      ILE  61  14.456   4.054  -1.562
  453   1HG2  ILE  61          HG21      ILE  61  12.751   2.275  -3.142
  454   2HG2  ILE  61          HG22      ILE  61  12.336   2.569  -1.454
  455   3HG2  ILE  61          HG23      ILE  61  12.485   0.916  -2.050
  456   1HD1  ILE  61          HD11      ILE  61  13.302   2.468   0.465
  457   2HD1  ILE  61          HD12      ILE  61  13.433   4.225   0.386
  458   3HD1  ILE  61          HD13      ILE  61  14.706   3.280   1.159
  459    H    LYS  62           HN       LYS  62  16.440  -0.753  -2.161
  460    HA   LYS  62           HA       LYS  62  14.692  -2.192  -3.913
  461   1HB   LYS  62          HB2       LYS  62  17.515  -2.975  -3.223
  462   2HB   LYS  62          HB1       LYS  62  16.649  -3.234  -4.733
  463   1HG   LYS  62          HG2       LYS  62  17.425  -0.551  -3.650
  464   2HG   LYS  62          HG1       LYS  62  18.361  -1.454  -4.847
  465   1HD   LYS  62          HD2       LYS  62  15.489  -0.598  -5.211
  466   2HD   LYS  62          HD1       LYS  62  16.875   0.299  -5.825
  467   1HE   LYS  62          HE2       LYS  62  16.013  -1.015  -7.619
  468   2HE   LYS  62          HE1       LYS  62  17.532  -1.745  -7.106
  469   1HZ   LYS  62          HZ1       LYS  62  16.483  -3.565  -6.267
  470   2HZ   LYS  62          HZ2       LYS  62  15.396  -3.183  -7.506
  471   3HZ   LYS  62          HZ3       LYS  62  15.050  -2.738  -5.911
  472    H    ASP  63           HN       ASP  63  16.925  -3.357  -1.399
  473    HA   ASP  63           HA       ASP  63  15.779  -5.896  -1.129
  474   1HB   ASP  63          HB2       ASP  63  17.999  -5.316  -0.213
  475   2HB   ASP  63          HB1       ASP  63  17.235  -4.250   0.962
  476    H    LEU  64           HN       LEU  64  14.719  -2.808  -0.260
  477    HA   LEU  64           HA       LEU  64  12.985  -3.611   1.912
  478   1HB   LEU  64          HB2       LEU  64  14.016  -1.341   1.720
  479   2HB   LEU  64          HB1       LEU  64  13.003  -1.048   0.319
  480    HG   LEU  64           HG       LEU  64  10.992  -1.311   1.746
  481   1HD1  LEU  64          HD11      LEU  64  11.250  -2.392   3.676
  482   2HD1  LEU  64          HD12      LEU  64  11.944  -0.897   4.303
  483   3HD1  LEU  64          HD13      LEU  64  12.998  -2.158   3.664
  484   1HD2  LEU  64          HD21      LEU  64  11.937   0.773   3.298
  485   2HD2  LEU  64          HD22      LEU  64  11.204   0.905   1.699
  486   3HD2  LEU  64          HD23      LEU  64  12.958   0.817   1.860
  487    H    MET  65           HN       MET  65  12.628  -2.755  -1.509
  488    HA   MET  65           HA       MET  65   9.772  -3.277  -1.444
  489   1HB   MET  65          HB2       MET  65  10.790  -1.403  -2.770
  490   2HB   MET  65          HB1       MET  65  11.515  -2.609  -3.819
  491   1HG   MET  65          HG2       MET  65   8.554  -2.349  -3.368
  492   2HG   MET  65          HG1       MET  65   9.422  -1.564  -4.684
  493   1HE   MET  65          HE1       MET  65  10.556  -3.139  -6.848
  494   2HE   MET  65          HE2       MET  65  10.964  -4.798  -6.409
  495   3HE   MET  65          HE3       MET  65  11.545  -3.456  -5.423
  496    H    ASP  66           HN       ASP  66  12.485  -4.459  -3.436
  497    HA   ASP  66           HA       ASP  66  11.306  -6.523  -4.746
  498   1HB   ASP  66          HB2       ASP  66  13.633  -5.860  -5.093
  499   2HB   ASP  66          HB1       ASP  66  14.074  -6.541  -3.530
  500    H    ALA  67           HN       ALA  67  12.087  -6.450  -1.348
  501    HA   ALA  67           HA       ALA  67  11.640  -9.307  -1.037
  502   1HB   ALA  67          HB1       ALA  67  12.459  -9.104   1.115
  503   2HB   ALA  67          HB2       ALA  67  11.969  -7.416   1.254
  504   3HB   ALA  67          HB3       ALA  67  13.353  -7.853   0.252
  505    H    ALA  68           HN       ALA  68  10.088  -6.265  -0.062
  506    HA   ALA  68           HA       ALA  68   7.974  -7.410   1.395
  507   1HB   ALA  68          HB1       ALA  68   8.401  -4.758   0.087
  508   2HB   ALA  68          HB2       ALA  68   8.251  -5.156   1.799
  509   3HB   ALA  68          HB3       ALA  68   6.824  -5.166   0.763
  510    H    ASP  69           HN       ASP  69   8.458  -6.964  -2.019
  511    HA   ASP  69           HA       ASP  69   5.827  -8.175  -2.507
  512   1HB   ASP  69          HB2       ASP  69   5.565  -5.946  -3.243
  513   2HB   ASP  69          HB1       ASP  69   7.161  -5.920  -3.994
  514    H    ILE  70           HN       ILE  70   6.494 -10.215  -2.792
  515    HA   ILE  70           HA       ILE  70   8.750 -10.868  -4.474
  516    HB   ILE  70           HB       ILE  70   6.753 -12.668  -3.095
  517   1HG1  ILE  70          HG12      ILE  70   9.562 -11.862  -2.305
  518   2HG1  ILE  70          HG11      ILE  70   8.081 -11.302  -1.536
  519   1HG2  ILE  70          HG21      ILE  70   8.990 -13.196  -4.917
  520   2HG2  ILE  70          HG22      ILE  70   7.605 -14.205  -4.498
  521   3HG2  ILE  70          HG23      ILE  70   9.010 -14.149  -3.433
  522   1HD1  ILE  70          HD11      ILE  70   8.604 -14.225  -1.671
  523   2HD1  ILE  70          HD12      ILE  70   7.730 -13.286  -0.461
  524   3HD1  ILE  70          HD13      ILE  70   9.493 -13.244  -0.505
  525    H    ASP  71           HN       ASP  71   5.498 -10.174  -4.937
  526    HA   ASP  71           HA       ASP  71   4.709 -12.002  -6.899
  527   1HB   ASP  71          HB2       ASP  71   3.204 -10.368  -5.777
  528   2HB   ASP  71          HB1       ASP  71   3.942  -9.081  -6.726
  529    H    LYS  72           HN       LYS  72   7.226  -9.803  -7.006
  530    HA   LYS  72           HA       LYS  72   8.684  -9.180  -8.644
  531   1HB   LYS  72          HB2       LYS  72   7.088 -10.998 -10.454
  532   2HB   LYS  72          HB1       LYS  72   8.722 -10.409 -10.729
  533   1HG   LYS  72          HG2       LYS  72   9.622 -11.777  -9.069
  534   2HG   LYS  72          HG1       LYS  72   8.044 -12.072  -8.333
  535   1HD   LYS  72          HD2       LYS  72   7.367 -13.280 -10.377
  536   2HD   LYS  72          HD1       LYS  72   9.000 -13.068 -11.014
  537   1HE   LYS  72          HE2       LYS  72   8.726 -15.280 -10.018
  538   2HE   LYS  72          HE1       LYS  72   9.907 -14.322  -9.126
  539   1HZ   LYS  72          HZ1       LYS  72   8.326 -13.904  -7.422
  540   2HZ   LYS  72          HZ2       LYS  72   8.303 -15.569  -7.717
  541   3HZ   LYS  72          HZ3       LYS  72   7.064 -14.587  -8.319
  542    H    SER  73           HN       SER  73   5.524  -8.441  -8.566
  543    HA   SER  73           HA       SER  73   5.269  -7.072 -11.094
  544   1HB   SER  73          HB2       SER  73   3.133  -6.242 -10.176
  545   2HB   SER  73          HB1       SER  73   3.284  -7.991 -10.005
  546    HG   SER  73           HG       SER  73   4.098  -7.473  -7.817
  547    H    GLY  74           HN       GLY  74   6.874  -6.383  -8.250
  548   1HA   GLY  74          HA2       GLY  74   8.081  -4.485  -7.692
  549   2HA   GLY  74          HA1       GLY  74   7.373  -3.670  -9.080
  550    H    THR  75           HN       THR  75   4.760  -4.850  -7.701
  551    HA   THR  75           HA       THR  75   4.398  -2.537  -5.910
  552    HB   THR  75           HB       THR  75   2.321  -3.957  -7.593
  553    HG1  THR  75           HG1      THR  75   2.308  -1.837  -8.640
  554   1HG2  THR  75          HG21      THR  75   0.965  -3.102  -6.007
  555   2HG2  THR  75          HG22      THR  75   1.158  -1.649  -6.987
  556   3HG2  THR  75          HG23      THR  75   2.121  -1.861  -5.525
  557    H    ILE  76           HN       ILE  76   3.919  -2.985  -3.845
  558    HA   ILE  76           HA       ILE  76   3.346  -5.765  -3.157
  559    HB   ILE  76           HB       ILE  76   5.188  -4.968  -1.931
  560   1HG1  ILE  76          HG12      ILE  76   3.181  -6.105  -0.658
  561   2HG1  ILE  76          HG11      ILE  76   4.561  -5.478   0.239
  562   1HG2  ILE  76          HG21      ILE  76   5.361  -2.726  -1.975
  563   2HG2  ILE  76          HG22      ILE  76   4.634  -2.859  -0.374
  564   3HG2  ILE  76          HG23      ILE  76   3.627  -2.475  -1.770
  565   1HD1  ILE  76          HD11      ILE  76   2.417  -4.933   1.290
  566   2HD1  ILE  76          HD12      ILE  76   1.944  -4.039  -0.155
  567   3HD1  ILE  76          HD13      ILE  76   3.309  -3.488   0.816
  568    H    ASP  77           HN       ASP  77   1.561  -6.445  -2.229
  569    HA   ASP  77           HA       ASP  77  -0.586  -4.486  -1.754
  570   1HB   ASP  77          HB2       ASP  77  -1.005  -6.130  -3.571
  571   2HB   ASP  77          HB1       ASP  77  -0.813  -7.437  -2.409
  572    H    TYR  78           HN       TYR  78  -2.082  -5.015   0.013
  573    HA   TYR  78           HA       TYR  78  -0.924  -5.248   2.466
  574   1HB   TYR  78          HB2       TYR  78  -3.688  -6.307   1.853
  575   2HB   TYR  78          HB1       TYR  78  -3.097  -5.731   3.402
  576    HD1  TYR  78           HD1      TYR  78  -4.005  -4.652  -0.028
  577    HD2  TYR  78           HD2      TYR  78  -3.215  -3.452   3.977
  578    HE1  TYR  78           HE1      TYR  78  -4.856  -2.406  -0.540
  579    HE2  TYR  78           HE2      TYR  78  -4.068  -1.202   3.475
  580    HH   TYR  78           HH       TYR  78  -4.907   0.147   1.932
  581    H    GLY  79           HN       GLY  79  -2.455  -7.912   0.677
  582   1HA   GLY  79          HA2       GLY  79  -1.824  -9.886   2.627
  583   2HA   GLY  79          HA1       GLY  79  -2.419 -10.185   1.006
  584    H    GLU  80           HN       GLU  80   0.089  -8.471   0.184
  585    HA   GLU  80           HA       GLU  80   1.743 -10.797  -0.248
  586   1HB   GLU  80          HB2       GLU  80   2.185  -7.910  -1.031
  587   2HB   GLU  80          HB1       GLU  80   3.134  -9.280  -1.593
  588   1HG   GLU  80          HG2       GLU  80   1.164 -10.213  -2.679
  589   2HG   GLU  80          HG1       GLU  80   0.198  -8.856  -2.103
  590    H    PHE  81           HN       PHE  81   2.195  -7.618   1.255
  591    HA   PHE  81           HA       PHE  81   4.752  -8.051   2.282
  592   1HB   PHE  81          HB2       PHE  81   3.804  -5.835   2.149
  593   2HB   PHE  81          HB1       PHE  81   2.517  -6.273   3.267
  594    HD1  PHE  81           HD1      PHE  81   6.236  -6.610   3.288
  595    HD2  PHE  81           HD2      PHE  81   2.738  -5.233   5.275
  596    HE1  PHE  81           HE1      PHE  81   7.618  -5.848   5.179
  597    HE2  PHE  81           HE2      PHE  81   4.110  -4.465   7.171
  598    HZ   PHE  81           HZ       PHE  81   6.554  -4.773   7.123
  599    H    ILE  82           HN       ILE  82   1.614  -9.019   3.526
  600    HA   ILE  82           HA       ILE  82   2.750  -9.750   6.096
  601    HB   ILE  82           HB       ILE  82   0.549  -8.767   6.143
  602   1HG1  ILE  82          HG12      ILE  82   0.410 -11.717   6.806
  603   2HG1  ILE  82          HG11      ILE  82   1.112 -10.475   7.837
  604   1HG2  ILE  82          HG21      ILE  82  -0.457 -11.132   4.575
  605   2HG2  ILE  82          HG22      ILE  82  -0.135  -9.546   3.876
  606   3HG2  ILE  82          HG23      ILE  82  -1.379  -9.728   5.112
  607   1HD1  ILE  82          HD11      ILE  82  -1.674 -11.231   7.436
  608   2HD1  ILE  82          HD12      ILE  82  -1.391  -9.491   7.386
  609   3HD1  ILE  82          HD13      ILE  82  -0.897 -10.425   8.798
  610    H    ALA  83           HN       ALA  83   0.919 -11.539   3.575
  611    HA   ALA  83           HA       ALA  83   1.836 -14.045   4.703
  612   1HB   ALA  83          HB1       ALA  83  -0.449 -13.916   3.948
  613   2HB   ALA  83          HB2       ALA  83   0.433 -15.076   2.954
  614   3HB   ALA  83          HB3       ALA  83   0.077 -13.466   2.325
  615    H    ALA  84           HN       ALA  84   1.833 -12.829   1.343
  616    HA   ALA  84           HA       ALA  84   4.601 -13.144   0.932
  617   1HB   ALA  84          HB1       ALA  84   4.288 -15.153  -0.703
  618   2HB   ALA  84          HB2       ALA  84   2.893 -15.514   0.315
  619   3HB   ALA  84          HB3       ALA  84   4.507 -15.445   1.023
  620    H    THR  85           HN       THR  85   1.875 -14.127  -1.134
  621    HA   THR  85           HA       THR  85   2.220 -11.690  -2.719
  622    HB   THR  85           HB       THR  85   2.248 -14.491  -3.859
  623    HG1  THR  85           HG1      THR  85   4.335 -14.069  -4.363
  624   1HG2  THR  85          HG21      THR  85   1.057 -13.008  -5.363
  625   2HG2  THR  85          HG22      THR  85   2.633 -13.444  -6.024
  626   3HG2  THR  85          HG23      THR  85   2.389 -11.855  -5.300
  627    H    VAL  86           HN       VAL  86   0.438 -14.635  -3.519
  628    HA   VAL  86           HA       VAL  86  -2.082 -13.218  -2.973
  629    HB   VAL  86           HB       VAL  86  -3.058 -14.124  -5.030
  630   1HG1  VAL  86          HG11      VAL  86  -2.288 -11.921  -5.263
  631   2HG1  VAL  86          HG12      VAL  86  -1.632 -12.773  -6.662
  632   3HG1  VAL  86          HG13      VAL  86  -0.597 -12.422  -5.278
  633   1HG2  VAL  86          HG21      VAL  86  -0.295 -14.955  -5.875
  634   2HG2  VAL  86          HG22      VAL  86  -1.836 -15.315  -6.653
  635   3HG2  VAL  86          HG23      VAL  86  -1.425 -16.076  -5.117
  636    H    HIS  87           HN       HIS  87  -3.957 -14.943  -3.420
  637    HA   HIS  87           HA       HIS  87  -3.714 -16.869  -1.373
  638   1HB   HIS  87          HB2       HIS  87  -5.935 -17.665  -2.167
  639   2HB   HIS  87          HB1       HIS  87  -5.874 -15.928  -1.900
  640    HD1  HIS  87           HD1      HIS  87  -8.107 -16.502  -3.574
  641    HD2  HIS  87           HD2      HIS  87  -4.300 -16.342  -5.234
  642    HE1  HIS  87           HE1      HIS  87  -8.459 -16.100  -6.031
  643    HE2  HIS  87           HE2      HIS  87  -6.145 -16.050  -7.022
  Start of MODEL   14
    1   1H    HIS   1           HT1      HIS   1 -33.864   4.098   2.085
    2   2H    HIS   1           HT2      HIS   1 -34.503   3.683   0.575
    3   3H    HIS   1           HT3      HIS   1 -35.161   4.976   1.445
    4    HA   HIS   1           HA       HIS   1 -33.725   5.677  -0.415
    5   1HB   HIS   1          HB2       HIS   1 -32.465   7.321   0.964
    6   2HB   HIS   1          HB1       HIS   1 -34.148   7.163   1.454
    7    HD1  HIS   1           HD1      HIS   1 -30.902   5.438   2.481
    8    HD2  HIS   1           HD2      HIS   1 -34.309   7.144   4.139
    9    HE1  HIS   1           HE1      HIS   1 -30.626   5.206   4.970
   10    HE2  HIS   1           HE2      HIS   1 -32.667   6.309   5.955
   11    H    SER   2           HN       SER   2 -32.822   2.952   0.175
   12    HA   SER   2           HA       SER   2 -29.970   3.124   0.596
   13   1HB   SER   2          HB2       SER   2 -29.999   0.683   0.235
   14   2HB   SER   2          HB1       SER   2 -31.208   1.174   1.422
   15    HG   SER   2           HG       SER   2 -31.779   0.780  -1.326
   16    H    SER   3           HN       SER   3 -31.639   4.181  -1.856
   17    HA   SER   3           HA       SER   3 -30.440   2.831  -4.086
   18   1HB   SER   3          HB2       SER   3 -31.486   4.624  -5.433
   19   2HB   SER   3          HB1       SER   3 -32.634   3.884  -4.318
   20    HG   SER   3           HG       SER   3 -31.498   6.436  -4.281
   21    H    GLY   4           HN       GLY   4 -28.521   3.201  -4.985
   22   1HA   GLY   4          HA2       GLY   4 -26.856   4.698  -5.853
   23   2HA   GLY   4          HA1       GLY   4 -27.228   5.807  -4.542
   24    H    HIS   5           HN       HIS   5 -27.261   3.122  -2.887
   25    HA   HIS   5           HA       HIS   5 -24.360   3.162  -2.385
   26   1HB   HIS   5          HB2       HIS   5 -26.623   2.506  -0.488
   27   2HB   HIS   5          HB1       HIS   5 -24.911   2.455  -0.082
   28    HD1  HIS   5           HD1      HIS   5 -27.241   5.079  -1.582
   29    HD2  HIS   5           HD2      HIS   5 -24.197   4.701   1.221
   30    HE1  HIS   5           HE1      HIS   5 -26.934   7.377  -0.609
   31    HE2  HIS   5           HE2      HIS   5 -25.021   7.144   1.013
   32    H    ILE   6           HN       ILE   6 -27.196   1.096  -2.722
   33    HA   ILE   6           HA       ILE   6 -25.452  -1.271  -2.714
   34    HB   ILE   6           HB       ILE   6 -28.470  -1.204  -2.571
   35   1HG1  ILE   6          HG12      ILE   6 -26.449  -1.553  -0.341
   36   2HG1  ILE   6          HG11      ILE   6 -27.432  -0.117  -0.607
   37   1HG2  ILE   6          HG21      ILE   6 -28.440  -3.474  -2.341
   38   2HG2  ILE   6          HG22      ILE   6 -26.830  -3.492  -1.621
   39   3HG2  ILE   6          HG23      ILE   6 -27.015  -3.276  -3.361
   40   1HD1  ILE   6          HD11      ILE   6 -29.418  -1.267  -0.046
   41   2HD1  ILE   6          HD12      ILE   6 -28.226  -1.678   1.187
   42   3HD1  ILE   6          HD13      ILE   6 -28.607  -2.832  -0.092
   43    H    ASP   7           HN       ASP   7 -24.823  -0.308  -4.910
   44    HA   ASP   7           HA       ASP   7 -26.321  -1.749  -6.948
   45   1HB   ASP   7          HB2       ASP   7 -25.706   1.205  -7.187
   46   2HB   ASP   7          HB1       ASP   7 -26.358   0.194  -8.473
   47    H    ASP   8           HN       ASP   8 -24.894  -0.470  -9.124
   48    HA   ASP   8           HA       ASP   8 -22.406  -1.925  -8.889
   49   1HB   ASP   8          HB2       ASP   8 -23.534  -0.323 -11.197
   50   2HB   ASP   8          HB1       ASP   8 -22.113  -1.359 -11.272
   51    H    ASP   9           HN       ASP   9 -22.230  -0.024  -7.062
   52    HA   ASP   9           HA       ASP   9 -20.728   2.204  -8.235
   53   1HB   ASP   9          HB2       ASP   9 -20.938   3.190  -5.924
   54   2HB   ASP   9          HB1       ASP   9 -22.461   2.956  -6.778
   55    H    ASP  10           HN       ASP  10 -18.895   2.977  -6.635
   56    HA   ASP  10           HA       ASP  10 -17.141   0.662  -6.322
   57   1HB   ASP  10          HB2       ASP  10 -16.487   3.608  -6.420
   58   2HB   ASP  10          HB1       ASP  10 -15.305   2.306  -6.313
   59    H    LYS  11           HN       LYS  11 -18.914   2.791  -4.313
   60    HA   LYS  11           HA       LYS  11 -17.059   2.725  -2.115
   61   1HB   LYS  11          HB2       LYS  11 -18.749   3.892  -0.857
   62   2HB   LYS  11          HB1       LYS  11 -18.636   4.586  -2.465
   63   1HG   LYS  11          HG2       LYS  11 -20.681   2.496  -1.959
   64   2HG   LYS  11          HG1       LYS  11 -20.957   4.137  -1.370
   65   1HD   LYS  11          HD2       LYS  11 -20.280   3.423  -4.221
   66   2HD   LYS  11          HD1       LYS  11 -21.913   3.722  -3.621
   67   1HE   LYS  11          HE2       LYS  11 -19.628   5.692  -3.571
   68   2HE   LYS  11          HE1       LYS  11 -20.965   5.699  -4.721
   69   1HZ   LYS  11          HZ1       LYS  11 -21.488   7.262  -3.054
   70   2HZ   LYS  11          HZ2       LYS  11 -21.086   6.198  -1.803
   71   3HZ   LYS  11          HZ3       LYS  11 -22.464   5.916  -2.742
   72    H    HIS  12           HN       HIS  12 -19.853   0.930  -3.146
   73    HA   HIS  12           HA       HIS  12 -20.189  -0.512  -0.689
   74   1HB   HIS  12          HB2       HIS  12 -22.008  -0.183  -2.390
   75   2HB   HIS  12          HB1       HIS  12 -21.155  -1.299  -3.448
   76    HD1  HIS  12           HD1      HIS  12 -23.698  -2.414  -3.085
   77    HD2  HIS  12           HD2      HIS  12 -20.930  -2.765  -0.004
   78    HE1  HIS  12           HE1      HIS  12 -24.520  -4.311  -1.654
   79    HE2  HIS  12           HE2      HIS  12 -22.835  -4.501   0.209
   80    H    MET  13           HN       MET  13 -18.422  -0.991  -3.670
   81    HA   MET  13           HA       MET  13 -17.732  -3.699  -3.332
   82   1HB   MET  13          HB2       MET  13 -17.430  -2.547  -5.461
   83   2HB   MET  13          HB1       MET  13 -16.228  -1.485  -4.740
   84   1HG   MET  13          HG2       MET  13 -15.194  -3.231  -6.082
   85   2HG   MET  13          HG1       MET  13 -14.741  -3.368  -4.384
   86   1HE   MET  13          HE1       MET  13 -14.508  -6.121  -6.548
   87   2HE   MET  13          HE2       MET  13 -14.640  -7.038  -5.048
   88   3HE   MET  13          HE3       MET  13 -13.766  -5.506  -5.071
   89    H    ALA  14           HN       ALA  14 -16.470  -0.768  -1.949
   90    HA   ALA  14           HA       ALA  14 -14.199  -2.184  -0.763
   91   1HB   ALA  14          HB1       ALA  14 -13.163  -0.239  -1.047
   92   2HB   ALA  14          HB2       ALA  14 -14.264   0.497   0.117
   93   3HB   ALA  14          HB3       ALA  14 -14.661   0.509  -1.601
   94    H    GLU  15           HN       GLU  15 -17.371  -1.309  -0.084
   95    HA   GLU  15           HA       GLU  15 -17.053  -1.032   2.767
   96   1HB   GLU  15          HB2       GLU  15 -18.775   0.307   2.012
   97   2HB   GLU  15          HB1       GLU  15 -19.299  -0.864   0.811
   98   1HG   GLU  15          HG2       GLU  15 -20.237  -2.248   2.554
   99   2HG   GLU  15          HG1       GLU  15 -19.712  -1.095   3.780
  100    H    ARG  16           HN       ARG  16 -17.680  -3.517   0.471
  101    HA   ARG  16           HA       ARG  16 -18.813  -5.351   2.390
  102   1HB   ARG  16          HB2       ARG  16 -18.650  -6.990   0.491
  103   2HB   ARG  16          HB1       ARG  16 -19.623  -5.564   0.163
  104   1HG   ARG  16          HG2       ARG  16 -17.579  -4.590  -0.964
  105   2HG   ARG  16          HG1       ARG  16 -16.867  -6.201  -0.847
  106   1HD   ARG  16          HD2       ARG  16 -19.450  -5.497  -2.238
  107   2HD   ARG  16          HD1       ARG  16 -17.914  -5.848  -3.027
  108    HE   ARG  16           HE       ARG  16 -19.808  -7.736  -2.098
  109   1HH1  ARG  16          HH11      ARG  16 -16.379  -7.204  -2.408
  110   2HH1  ARG  16          HH12      ARG  16 -15.993  -8.891  -2.458
  111   1HH2  ARG  16          HH21      ARG  16 -19.307  -9.958  -2.158
  112   2HH2  ARG  16          HH22      ARG  16 -17.655 -10.456  -2.311
  113    H    LEU  17           HN       LEU  17 -15.827  -5.386   0.410
  114    HA   LEU  17           HA       LEU  17 -14.611  -7.087   2.479
  115   1HB   LEU  17          HB2       LEU  17 -13.845  -6.702  -0.415
  116   2HB   LEU  17          HB1       LEU  17 -12.929  -7.660   0.732
  117    HG   LEU  17           HG       LEU  17 -15.743  -8.227  -0.208
  118   1HD1  LEU  17          HD11      LEU  17 -14.399  -8.886  -1.961
  119   2HD1  LEU  17          HD12      LEU  17 -14.466 -10.355  -0.988
  120   3HD1  LEU  17          HD13      LEU  17 -13.049  -9.309  -0.907
  121   1HD2  LEU  17          HD21      LEU  17 -14.718 -10.464   1.076
  122   2HD2  LEU  17          HD22      LEU  17 -15.967  -9.379   1.686
  123   3HD2  LEU  17          HD23      LEU  17 -14.279  -9.117   2.126
  124    H    SER  18           HN       SER  18 -12.588  -6.582   3.325
  125    HA   SER  18           HA       SER  18 -11.816  -3.769   2.994
  126   1HB   SER  18          HB2       SER  18 -12.381  -4.418   5.281
  127   2HB   SER  18          HB1       SER  18 -11.189  -5.716   5.226
  128    HG   SER  18           HG       SER  18 -10.842  -3.080   5.751
  129    H    GLU  19           HN       GLU  19 -10.587  -4.038   1.102
  130    HA   GLU  19           HA       GLU  19  -8.324  -5.847   1.126
  131   1HB   GLU  19          HB2       GLU  19  -7.881  -5.012  -1.138
  132   2HB   GLU  19          HB1       GLU  19  -9.547  -5.541  -0.964
  133   1HG   GLU  19          HG2       GLU  19  -8.778  -2.663  -0.657
  134   2HG   GLU  19          HG1       GLU  19  -9.087  -3.376  -2.238
  135    H    GLU  20           HN       GLU  20  -8.954  -2.819   2.312
  136    HA   GLU  20           HA       GLU  20  -6.839  -1.191   1.722
  137   1HB   GLU  20          HB2       GLU  20  -8.701  -0.517   3.145
  138   2HB   GLU  20          HB1       GLU  20  -8.143  -1.594   4.417
  139   1HG   GLU  20          HG2       GLU  20  -6.104  -0.272   4.645
  140   2HG   GLU  20          HG1       GLU  20  -6.661   0.807   3.367
  141    H    GLU  21           HN       GLU  21  -6.773  -4.082   3.693
  142    HA   GLU  21           HA       GLU  21  -3.873  -3.709   3.990
  143   1HB   GLU  21          HB2       GLU  21  -4.902  -3.128   6.125
  144   2HB   GLU  21          HB1       GLU  21  -5.753  -4.666   6.153
  145   1HG   GLU  21          HG2       GLU  21  -3.620  -5.847   6.283
  146   2HG   GLU  21          HG1       GLU  21  -2.766  -4.304   6.255
  147    H    ILE  22           HN       ILE  22  -6.077  -6.245   5.123
  148    HA   ILE  22           HA       ILE  22  -4.436  -8.375   4.432
  149    HB   ILE  22           HB       ILE  22  -6.398  -9.818   4.678
  150   1HG1  ILE  22          HG12      ILE  22  -7.963  -7.232   4.881
  151   2HG1  ILE  22          HG11      ILE  22  -8.030  -8.355   3.527
  152   1HG2  ILE  22          HG21      ILE  22  -6.724  -7.772   6.815
  153   2HG2  ILE  22          HG22      ILE  22  -5.149  -8.538   6.605
  154   3HG2  ILE  22          HG23      ILE  22  -6.572  -9.524   6.942
  155   1HD1  ILE  22          HD11      ILE  22  -8.979 -10.061   4.949
  156   2HD1  ILE  22          HD12      ILE  22  -9.940  -8.585   5.044
  157   3HD1  ILE  22          HD13      ILE  22  -8.834  -9.004   6.353
  158    H    GLY  23           HN       GLY  23  -6.191  -6.364   2.362
  159   1HA   GLY  23          HA2       GLY  23  -7.135  -7.980   0.344
  160   2HA   GLY  23          HA1       GLY  23  -6.448  -6.386   0.079
  161    H    GLY  24           HN       GLY  24  -3.924  -6.420   0.195
  162   1HA   GLY  24          HA2       GLY  24  -3.091  -8.468  -1.720
  163   2HA   GLY  24          HA1       GLY  24  -2.237  -6.975  -1.361
  164    H    LEU  25           HN       LEU  25  -2.986  -8.057   1.572
  165    HA   LEU  25           HA       LEU  25  -0.494  -8.634   2.485
  166   1HB   LEU  25          HB2       LEU  25  -2.460  -8.288   3.906
  167   2HB   LEU  25          HB1       LEU  25  -3.093  -9.848   3.433
  168    HG   LEU  25           HG       LEU  25  -2.026  -9.674   5.735
  169   1HD1  LEU  25          HD11      LEU  25  -2.354 -11.778   4.155
  170   2HD1  LEU  25          HD12      LEU  25  -1.555 -11.891   5.724
  171   3HD1  LEU  25          HD13      LEU  25  -0.592 -11.796   4.249
  172   1HD2  LEU  25          HD21      LEU  25   0.299  -9.091   4.022
  173   2HD2  LEU  25          HD22      LEU  25   0.573 -10.226   5.343
  174   3HD2  LEU  25          HD23      LEU  25  -0.043  -8.609   5.683
  175    H    LYS  26           HN       LYS  26  -2.550 -10.741   0.648
  176    HA   LYS  26           HA       LYS  26  -1.032 -13.112   1.291
  177   1HB   LYS  26          HB2       LYS  26  -3.417 -13.312   0.926
  178   2HB   LYS  26          HB1       LYS  26  -3.259 -12.628  -0.686
  179   1HG   LYS  26          HG2       LYS  26  -3.540 -15.025  -0.810
  180   2HG   LYS  26          HG1       LYS  26  -1.930 -14.571  -1.371
  181   1HD   LYS  26          HD2       LYS  26  -1.002 -15.186   0.812
  182   2HD   LYS  26          HD1       LYS  26  -2.614 -15.645   1.366
  183   1HE   LYS  26          HE2       LYS  26  -1.339 -17.606   0.690
  184   2HE   LYS  26          HE1       LYS  26  -2.724 -17.360  -0.374
  185   1HZ   LYS  26          HZ1       LYS  26  -0.134 -16.213  -1.139
  186   2HZ   LYS  26          HZ2       LYS  26  -1.395 -16.770  -2.119
  187   3HZ   LYS  26          HZ3       LYS  26  -0.375 -17.875  -1.344
  188    H    GLU  27           HN       GLU  27  -1.837 -11.675  -1.888
  189    HA   GLU  27           HA       GLU  27   0.536 -12.905  -3.009
  190   1HB   GLU  27          HB2       GLU  27  -1.653 -11.292  -4.307
  191   2HB   GLU  27          HB1       GLU  27  -0.379 -12.153  -5.163
  192   1HG   GLU  27          HG2       GLU  27  -1.204 -14.271  -4.272
  193   2HG   GLU  27          HG1       GLU  27  -2.478 -13.411  -3.409
  194    H    LEU  28           HN       LEU  28  -0.836  -9.668  -3.501
  195    HA   LEU  28           HA       LEU  28   1.477  -8.534  -4.535
  196   1HB   LEU  28          HB2       LEU  28  -0.958  -7.724  -4.593
  197   2HB   LEU  28          HB1       LEU  28  -0.608  -6.959  -3.057
  198    HG   LEU  28           HG       LEU  28  -0.448  -5.415  -4.987
  199   1HD1  LEU  28          HD11      LEU  28   1.343  -4.239  -4.163
  200   2HD1  LEU  28          HD12      LEU  28   2.320  -5.687  -3.917
  201   3HD1  LEU  28          HD13      LEU  28   0.993  -5.321  -2.815
  202   1HD2  LEU  28          HD21      LEU  28   0.784  -7.499  -6.254
  203   2HD2  LEU  28          HD22      LEU  28   2.138  -6.433  -5.878
  204   3HD2  LEU  28          HD23      LEU  28   0.771  -5.826  -6.813
  205    H    PHE  29           HN       PHE  29   0.109  -7.637  -1.375
  206    HA   PHE  29           HA       PHE  29   2.145  -6.146  -0.404
  207   1HB   PHE  29          HB2       PHE  29  -0.102  -6.677   0.661
  208   2HB   PHE  29          HB1       PHE  29   0.673  -8.100   1.349
  209    HD1  PHE  29           HD1      PHE  29   1.161  -7.834   3.561
  210    HD2  PHE  29           HD2      PHE  29   1.631  -4.518   0.940
  211    HE1  PHE  29           HE1      PHE  29   1.971  -6.471   5.437
  212    HE2  PHE  29           HE2      PHE  29   2.444  -3.149   2.808
  213    HZ   PHE  29           HZ       PHE  29   2.617  -4.123   5.066
  214    H    LYS  30           HN       LYS  30   1.940  -9.692  -0.136
  215    HA   LYS  30           HA       LYS  30   4.314  -9.965   1.379
  216   1HB   LYS  30          HB2       LYS  30   3.869 -12.196   1.344
  217   2HB   LYS  30          HB1       LYS  30   2.308 -11.631   0.781
  218   1HG   LYS  30          HG2       LYS  30   2.742 -13.321  -0.698
  219   2HG   LYS  30          HG1       LYS  30   3.347 -11.921  -1.584
  220   1HD   LYS  30          HD2       LYS  30   5.619 -12.431  -0.889
  221   2HD   LYS  30          HD1       LYS  30   5.040 -13.783   0.086
  222   1HE   LYS  30          HE2       LYS  30   5.958 -14.554  -2.041
  223   2HE   LYS  30          HE1       LYS  30   4.233 -14.899  -1.928
  224   1HZ   LYS  30          HZ1       LYS  30   5.510 -13.579  -3.964
  225   2HZ   LYS  30          HZ2       LYS  30   4.712 -12.356  -3.112
  226   3HZ   LYS  30          HZ3       LYS  30   3.839 -13.672  -3.717
  227    H    MET  31           HN       MET  31   3.645 -10.146  -2.080
  228    HA   MET  31           HA       MET  31   6.224 -10.900  -2.919
  229   1HB   MET  31          HB2       MET  31   3.812 -10.502  -4.150
  230   2HB   MET  31          HB1       MET  31   4.739  -9.134  -4.743
  231   1HG   MET  31          HG2       MET  31   5.484 -12.039  -4.998
  232   2HG   MET  31          HG1       MET  31   4.867 -10.999  -6.277
  233   1HE   MET  31          HE1       MET  31   7.412 -11.819  -3.798
  234   2HE   MET  31          HE2       MET  31   8.718 -10.651  -4.001
  235   3HE   MET  31          HE3       MET  31   8.711 -12.138  -4.949
  236    H    ILE  32           HN       ILE  32   5.062  -7.969  -1.647
  237    HA   ILE  32           HA       ILE  32   7.154  -6.356  -2.890
  238    HB   ILE  32           HB       ILE  32   4.982  -5.570  -0.941
  239   1HG1  ILE  32          HG12      ILE  32   4.114  -6.178  -3.150
  240   2HG1  ILE  32          HG11      ILE  32   3.969  -4.445  -2.881
  241   1HG2  ILE  32          HG21      ILE  32   7.321  -4.133  -2.004
  242   2HG2  ILE  32          HG22      ILE  32   6.401  -3.871  -0.522
  243   3HG2  ILE  32          HG23      ILE  32   5.794  -3.252  -2.058
  244   1HD1  ILE  32          HD11      ILE  32   4.720  -4.566  -5.055
  245   2HD1  ILE  32          HD12      ILE  32   5.794  -5.925  -4.719
  246   3HD1  ILE  32          HD13      ILE  32   6.215  -4.308  -4.154
  247    H    ASP  33           HN       ASP  33   6.098  -7.422   0.310
  248    HA   ASP  33           HA       ASP  33   8.208  -6.227   1.758
  249   1HB   ASP  33          HB2       ASP  33   6.041  -7.047   2.729
  250   2HB   ASP  33          HB1       ASP  33   6.624  -8.693   2.510
  251    H    THR  34           HN       THR  34  10.303  -6.729   1.638
  252    HA   THR  34           HA       THR  34  11.271  -9.065   0.362
  253    HB   THR  34           HB       THR  34  12.732  -7.171   2.222
  254    HG1  THR  34           HG1      THR  34  11.857  -6.104   0.421
  255   1HG2  THR  34          HG21      THR  34  14.421  -8.126   0.194
  256   2HG2  THR  34          HG22      THR  34  13.630  -9.534   0.904
  257   3HG2  THR  34          HG23      THR  34  14.530  -8.417   1.931
  258    H    ASP  35           HN       ASP  35   9.940  -8.534   3.359
  259    HA   ASP  35           HA       ASP  35  11.248 -10.882   4.532
  260   1HB   ASP  35          HB2       ASP  35   9.882  -8.550   5.861
  261   2HB   ASP  35          HB1       ASP  35  10.402  -9.996   6.717
  262    H    ASN  36           HN       ASN  36   8.400  -9.822   3.104
  263    HA   ASN  36           HA       ASN  36   6.225 -10.523   3.165
  264   1HB   ASN  36          HB2       ASN  36   5.970 -12.947   2.811
  265   2HB   ASN  36          HB1       ASN  36   7.272 -12.280   1.836
  266   1HD2  ASN  36          HD21      ASN  36   6.380 -14.683   3.972
  267   2HD2  ASN  36          HD22      ASN  36   7.950 -15.299   4.348
  268    H    SER  37           HN       SER  37   7.437  -9.933   5.767
  269    HA   SER  37           HA       SER  37   6.213 -11.832   7.598
  270   1HB   SER  37          HB2       SER  37   7.118 -10.332   9.357
  271   2HB   SER  37          HB1       SER  37   8.367 -10.833   8.217
  272    HG   SER  37           HG       SER  37   8.040  -8.454   8.868
  273    H    GLY  38           HN       GLY  38   5.462  -9.056   5.868
  274   1HA   GLY  38          HA2       GLY  38   3.125  -8.423   5.698
  275   2HA   GLY  38          HA1       GLY  38   2.963  -8.733   7.421
  276    H    THR  39           HN       THR  39   5.847  -7.175   6.596
  277    HA   THR  39           HA       THR  39   4.758  -4.490   6.836
  278    HB   THR  39           HB       THR  39   6.358  -3.949   8.687
  279    HG1  THR  39           HG1      THR  39   7.150  -5.731   9.887
  280   1HG2  THR  39          HG21      THR  39   3.850  -4.913   8.938
  281   2HG2  THR  39          HG22      THR  39   4.841  -4.337  10.279
  282   3HG2  THR  39          HG23      THR  39   4.755  -6.063   9.924
  283    H    ILE  40           HN       ILE  40   5.888  -3.076   5.628
  284    HA   ILE  40           HA       ILE  40   8.447  -4.027   4.527
  285    HB   ILE  40           HB       ILE  40   6.404  -2.104   3.406
  286   1HG1  ILE  40          HG12      ILE  40   6.502  -3.682   1.471
  287   2HG1  ILE  40          HG11      ILE  40   7.555  -4.719   2.424
  288   1HG2  ILE  40          HG21      ILE  40   9.282  -2.309   2.845
  289   2HG2  ILE  40          HG22      ILE  40   8.162  -0.973   2.579
  290   3HG2  ILE  40          HG23      ILE  40   8.233  -2.306   1.427
  291   1HD1  ILE  40          HD11      ILE  40   4.955  -3.954   3.615
  292   2HD1  ILE  40          HD12      ILE  40   5.853  -5.469   3.720
  293   3HD1  ILE  40          HD13      ILE  40   4.934  -5.088   2.263
  294    H    THR  41           HN       THR  41  10.225  -2.646   4.430
  295    HA   THR  41           HA       THR  41   9.993  -0.079   5.837
  296    HB   THR  41           HB       THR  41  12.306  -1.971   6.243
  297    HG1  THR  41           HG1      THR  41  11.235  -2.073   8.428
  298   1HG2  THR  41          HG21      THR  41  11.563   0.671   7.363
  299   2HG2  THR  41          HG22      THR  41  13.143   0.037   6.905
  300   3HG2  THR  41          HG23      THR  41  12.381  -0.494   8.404
  301    H    PHE  42           HN       PHE  42  11.775   1.365   5.350
  302    HA   PHE  42           HA       PHE  42  12.194   2.056   2.837
  303   1HB   PHE  42          HB2       PHE  42  12.995   3.332   4.769
  304   2HB   PHE  42          HB1       PHE  42  14.300   2.175   5.001
  305    HD1  PHE  42           HD1      PHE  42  12.942   3.958   2.024
  306    HD2  PHE  42           HD2      PHE  42  16.313   3.117   4.475
  307    HE1  PHE  42           HE1      PHE  42  14.360   5.267   0.513
  308    HE2  PHE  42           HE2      PHE  42  17.741   4.427   2.968
  309    HZ   PHE  42           HZ       PHE  42  16.768   5.510   0.979
  310    H    ASP  43           HN       ASP  43  14.645   0.089   4.539
  311    HA   ASP  43           HA       ASP  43  16.292  -0.429   2.386
  312   1HB   ASP  43          HB2       ASP  43  16.813  -0.987   4.748
  313   2HB   ASP  43          HB1       ASP  43  15.677  -2.329   4.660
  314    H    GLU  44           HN       GLU  44  13.375  -2.132   3.387
  315    HA   GLU  44           HA       GLU  44  13.623  -4.074   1.240
  316   1HB   GLU  44          HB2       GLU  44  11.396  -3.658   3.241
  317   2HB   GLU  44          HB1       GLU  44  11.582  -5.041   2.171
  318   1HG   GLU  44          HG2       GLU  44  13.606  -5.697   3.309
  319   2HG   GLU  44          HG1       GLU  44  13.525  -4.262   4.332
  320    H    LEU  45           HN       LEU  45  12.296  -0.992   1.686
  321    HA   LEU  45           HA       LEU  45  10.034  -1.204   0.002
  322   1HB   LEU  45          HB2       LEU  45  10.266   0.576   1.667
  323   2HB   LEU  45          HB1       LEU  45  11.607   1.250   0.758
  324    HG   LEU  45           HG       LEU  45  10.045   1.601  -1.165
  325   1HD1  LEU  45          HD11      LEU  45   8.212   0.276   0.708
  326   2HD1  LEU  45          HD12      LEU  45   8.177   0.362  -1.053
  327   3HD1  LEU  45          HD13      LEU  45   7.567   1.709  -0.092
  328   1HD2  LEU  45          HD21      LEU  45  10.171   3.635  -0.281
  329   2HD2  LEU  45          HD22      LEU  45  10.113   3.010   1.367
  330   3HD2  LEU  45          HD23      LEU  45   8.616   3.290   0.477
  331    H    LYS  46           HN       LYS  46  13.171   0.399  -0.519
  332    HA   LYS  46           HA       LYS  46  12.835   0.999  -3.202
  333   1HB   LYS  46          HB2       LYS  46  15.287   1.188  -3.301
  334   2HB   LYS  46          HB1       LYS  46  14.621   1.975  -1.877
  335   1HG   LYS  46          HG2       LYS  46  15.279   0.089  -0.497
  336   2HG   LYS  46          HG1       LYS  46  15.891  -0.756  -1.920
  337   1HD   LYS  46          HD2       LYS  46  16.918   1.887  -0.883
  338   2HD   LYS  46          HD1       LYS  46  17.688   0.321  -0.619
  339   1HE   LYS  46          HE2       LYS  46  17.961   0.057  -3.043
  340   2HE   LYS  46          HE1       LYS  46  17.204   1.629  -3.295
  341   1HZ   LYS  46          HZ1       LYS  46  19.704   1.200  -1.752
  342   2HZ   LYS  46          HZ2       LYS  46  19.009   2.688  -2.155
  343   3HZ   LYS  46          HZ3       LYS  46  19.650   1.699  -3.368
  344    H    ASP  47           HN       ASP  47  13.689  -2.012  -1.684
  345    HA   ASP  47           HA       ASP  47  14.947  -3.378  -3.721
  346   1HB   ASP  47          HB2       ASP  47  14.653  -4.299  -1.469
  347   2HB   ASP  47          HB1       ASP  47  12.924  -4.470  -1.755
  348    H    GLY  48           HN       GLY  48  11.761  -2.175  -3.664
  349   1HA   GLY  48          HA2       GLY  48  10.537  -4.067  -5.418
  350   2HA   GLY  48          HA1       GLY  48   9.956  -2.439  -5.079
  351    H    LEU  49           HN       LEU  49  11.861  -0.817  -5.921
  352    HA   LEU  49           HA       LEU  49  11.845  -1.215  -8.806
  353   1HB   LEU  49          HB2       LEU  49  12.697   1.173  -7.159
  354   2HB   LEU  49          HB1       LEU  49  12.572   1.132  -8.908
  355    HG   LEU  49           HG       LEU  49  10.266   0.825  -6.982
  356   1HD1  LEU  49          HD11      LEU  49  11.155   3.123  -8.712
  357   2HD1  LEU  49          HD12      LEU  49  11.056   3.083  -6.952
  358   3HD1  LEU  49          HD13      LEU  49   9.583   3.025  -7.920
  359   1HD2  LEU  49          HD21      LEU  49   9.680   1.439  -9.766
  360   2HD2  LEU  49          HD22      LEU  49   8.960   0.238  -8.694
  361   3HD2  LEU  49          HD23      LEU  49  10.454  -0.132  -9.555
  362    H    LYS  50           HN       LYS  50  13.862  -1.710  -6.173
  363    HA   LYS  50           HA       LYS  50  16.361  -1.242  -7.531
  364   1HB   LYS  50          HB2       LYS  50  16.164  -0.894  -5.100
  365   2HB   LYS  50          HB1       LYS  50  15.809  -2.602  -4.890
  366   1HG   LYS  50          HG2       LYS  50  18.115  -2.132  -4.326
  367   2HG   LYS  50          HG1       LYS  50  18.028  -3.168  -5.752
  368   1HD   LYS  50          HD2       LYS  50  18.410  -1.237  -7.192
  369   2HD   LYS  50          HD1       LYS  50  18.455  -0.180  -5.780
  370   1HE   LYS  50          HE2       LYS  50  20.371  -2.431  -6.379
  371   2HE   LYS  50          HE1       LYS  50  20.707  -0.710  -6.559
  372   1HZ   LYS  50          HZ1       LYS  50  20.206  -2.194  -4.042
  373   2HZ   LYS  50          HZ2       LYS  50  20.240  -0.506  -4.129
  374   3HZ   LYS  50          HZ3       LYS  50  21.626  -1.398  -4.507
  375    H    ARG  51           HN       ARG  51  14.148  -3.842  -7.037
  376    HA   ARG  51           HA       ARG  51  15.969  -5.975  -7.611
  377   1HB   ARG  51          HB2       ARG  51  13.947  -6.448  -6.366
  378   2HB   ARG  51          HB1       ARG  51  12.948  -5.825  -7.671
  379   1HG   ARG  51          HG2       ARG  51  13.718  -7.659  -9.113
  380   2HG   ARG  51          HG1       ARG  51  14.668  -8.295  -7.769
  381   1HD   ARG  51          HD2       ARG  51  12.659  -8.650  -6.471
  382   2HD   ARG  51          HD1       ARG  51  11.678  -7.904  -7.731
  383    HE   ARG  51           HE       ARG  51  11.606  -9.939  -8.734
  384   1HH1  ARG  51          HH11      ARG  51  14.541  -9.782  -6.855
  385   2HH1  ARG  51          HH12      ARG  51  15.039 -11.389  -7.267
  386   1HH2  ARG  51          HH21      ARG  51  12.256 -12.054  -9.274
  387   2HH2  ARG  51          HH22      ARG  51  13.742 -12.679  -8.640
  388    H    VAL  52           HN       VAL  52  14.154  -3.709  -9.439
  389    HA   VAL  52           HA       VAL  52  14.521  -5.222 -11.916
  390    HB   VAL  52           HB       VAL  52  12.290  -4.287 -11.492
  391   1HG1  VAL  52          HG11      VAL  52  12.204  -2.325 -10.435
  392   2HG1  VAL  52          HG12      VAL  52  12.458  -1.603 -12.024
  393   3HG1  VAL  52          HG13      VAL  52  13.830  -1.875 -10.950
  394   1HG2  VAL  52          HG21      VAL  52  13.871  -3.931 -13.830
  395   2HG2  VAL  52          HG22      VAL  52  12.729  -2.594 -13.697
  396   3HG2  VAL  52          HG23      VAL  52  12.144  -4.257 -13.696
  397    H    GLY  53           HN       GLY  53  15.627  -2.381 -10.222
  398   1HA   GLY  53          HA2       GLY  53  17.264  -0.843 -10.688
  399   2HA   GLY  53          HA1       GLY  53  18.017  -2.146 -11.592
  400    H    SER  54           HN       SER  54  15.040  -0.254 -12.159
  401    HA   SER  54           HA       SER  54  15.980   0.204 -14.895
  402   1HB   SER  54          HB2       SER  54  13.243   0.577 -13.659
  403   2HB   SER  54          HB1       SER  54  13.635   0.904 -15.347
  404    HG   SER  54           HG       SER  54  14.294  -1.603 -14.315
  405    H    GLU  55           HN       GLU  55  13.631   2.403 -13.722
  406    HA   GLU  55           HA       GLU  55  15.682   4.506 -13.518
  407   1HB   GLU  55          HB2       GLU  55  12.905   4.707 -14.698
  408   2HB   GLU  55          HB1       GLU  55  13.997   6.065 -14.464
  409   1HG   GLU  55          HG2       GLU  55  14.512   3.683 -16.229
  410   2HG   GLU  55          HG1       GLU  55  13.996   5.279 -16.772
  411    H    LEU  56           HN       LEU  56  15.605   3.915 -11.213
  412    HA   LEU  56           HA       LEU  56  13.254   5.030  -9.846
  413   1HB   LEU  56          HB2       LEU  56  14.110   3.858  -7.823
  414   2HB   LEU  56          HB1       LEU  56  13.585   2.793  -9.119
  415    HG   LEU  56           HG       LEU  56  16.484   3.496  -8.661
  416   1HD1  LEU  56          HD11      LEU  56  14.770   1.862  -7.048
  417   2HD1  LEU  56          HD12      LEU  56  16.484   2.223  -6.843
  418   3HD1  LEU  56          HD13      LEU  56  15.983   0.858  -7.842
  419   1HD2  LEU  56          HD21      LEU  56  16.965   2.046 -10.309
  420   2HD2  LEU  56          HD22      LEU  56  15.297   2.330 -10.809
  421   3HD2  LEU  56          HD23      LEU  56  15.695   0.921  -9.826
  422    H    MET  57           HN       MET  57  13.727   6.068  -7.742
  423    HA   MET  57           HA       MET  57  16.233   7.602  -7.832
  424   1HB   MET  57          HB2       MET  57  13.527   8.676  -7.014
  425   2HB   MET  57          HB1       MET  57  15.034   9.579  -7.078
  426   1HG   MET  57          HG2       MET  57  13.555   8.397  -9.411
  427   2HG   MET  57          HG1       MET  57  13.648  10.104  -8.981
  428   1HE   MET  57          HE1       MET  57  15.960  11.534  -9.111
  429   2HE   MET  57          HE2       MET  57  17.504  10.786  -9.519
  430   3HE   MET  57          HE3       MET  57  16.663  10.321  -8.040
  431    H    GLU  58           HN       GLU  58  17.391   6.929  -6.133
  432    HA   GLU  58           HA       GLU  58  16.420   5.623  -3.872
  433   1HB   GLU  58          HB2       GLU  58  18.586   6.157  -2.836
  434   2HB   GLU  58          HB1       GLU  58  18.785   5.600  -4.491
  435   1HG   GLU  58          HG2       GLU  58  19.072   7.901  -5.240
  436   2HG   GLU  58          HG1       GLU  58  18.850   8.471  -3.586
  437    H    SER  59           HN       SER  59  16.198   8.822  -4.815
  438    HA   SER  59           HA       SER  59  15.893   9.943  -2.149
  439   1HB   SER  59          HB2       SER  59  15.496  12.073  -3.348
  440   2HB   SER  59          HB1       SER  59  17.001  11.302  -3.849
  441    HG   SER  59           HG       SER  59  16.225  11.076  -5.792
  442    H    GLU  60           HN       GLU  60  13.895   9.117  -4.944
  443    HA   GLU  60           HA       GLU  60  11.482  10.213  -3.969
  444   1HB   GLU  60          HB2       GLU  60  11.856   9.619  -6.341
  445   2HB   GLU  60          HB1       GLU  60  11.886   7.918  -5.899
  446   1HG   GLU  60          HG2       GLU  60   9.743   8.443  -6.814
  447   2HG   GLU  60          HG1       GLU  60   9.561   8.129  -5.089
  448    H    ILE  61           HN       ILE  61  13.121   7.165  -3.512
  449    HA   ILE  61           HA       ILE  61  11.062   5.607  -2.478
  450    HB   ILE  61           HB       ILE  61  13.936   5.581  -1.544
  451   1HG1  ILE  61          HG12      ILE  61  13.824   5.414  -3.983
  452   2HG1  ILE  61          HG11      ILE  61  14.286   3.866  -3.283
  453   1HG2  ILE  61          HG21      ILE  61  11.659   3.650  -1.313
  454   2HG2  ILE  61          HG22      ILE  61  12.763   4.227  -0.064
  455   3HG2  ILE  61          HG23      ILE  61  13.330   3.087  -1.285
  456   1HD1  ILE  61          HD11      ILE  61  11.591   4.635  -4.373
  457   2HD1  ILE  61          HD12      ILE  61  11.927   3.127  -3.523
  458   3HD1  ILE  61          HD13      ILE  61  12.734   3.476  -5.051
  459    H    LYS  62           HN       LYS  62  12.693   8.321  -1.110
  460    HA   LYS  62           HA       LYS  62  12.053   7.814   1.638
  461   1HB   LYS  62          HB2       LYS  62  12.583  10.505   0.382
  462   2HB   LYS  62          HB1       LYS  62  12.871  10.013   2.049
  463   1HG   LYS  62          HG2       LYS  62  14.278   8.824  -0.310
  464   2HG   LYS  62          HG1       LYS  62  14.913  10.185   0.625
  465   1HD   LYS  62          HD2       LYS  62  14.236   7.465   1.748
  466   2HD   LYS  62          HD1       LYS  62  15.860   8.009   1.331
  467   1HE   LYS  62          HE2       LYS  62  14.044   9.239   3.402
  468   2HE   LYS  62          HE1       LYS  62  15.456   8.234   3.723
  469   1HZ   LYS  62          HZ1       LYS  62  16.746  10.011   3.589
  470   2HZ   LYS  62          HZ2       LYS  62  15.378  10.987   3.399
  471   3HZ   LYS  62          HZ3       LYS  62  16.178  10.377   2.038
  472    H    ASP  63           HN       ASP  63  10.885  10.275  -0.648
  473    HA   ASP  63           HA       ASP  63   8.605  11.020   0.791
  474   1HB   ASP  63          HB2       ASP  63   9.485  12.301  -1.142
  475   2HB   ASP  63          HB1       ASP  63   9.004  10.993  -2.218
  476    H    LEU  64           HN       LEU  64   9.456   8.206  -0.855
  477    HA   LEU  64           HA       LEU  64   6.735   7.300  -1.353
  478   1HB   LEU  64          HB2       LEU  64   8.660   6.786  -2.885
  479   2HB   LEU  64          HB1       LEU  64   9.336   5.790  -1.610
  480    HG   LEU  64           HG       LEU  64   7.339   4.335  -1.698
  481   1HD1  LEU  64          HD11      LEU  64   5.482   5.132  -2.619
  482   2HD1  LEU  64          HD12      LEU  64   6.253   4.936  -4.193
  483   3HD1  LEU  64          HD13      LEU  64   6.352   6.481  -3.349
  484   1HD2  LEU  64          HD21      LEU  64   8.416   4.539  -4.480
  485   2HD2  LEU  64          HD22      LEU  64   8.067   3.103  -3.516
  486   3HD2  LEU  64          HD23      LEU  64   9.478   4.094  -3.144
  487    H    MET  65           HN       MET  65   9.330   6.824   0.958
  488    HA   MET  65           HA       MET  65   7.959   4.643   2.287
  489   1HB   MET  65          HB2       MET  65  10.487   4.839   1.962
  490   2HB   MET  65          HB1       MET  65  10.448   6.036   3.247
  491   1HG   MET  65          HG2       MET  65   9.463   3.207   3.525
  492   2HG   MET  65          HG1       MET  65  11.069   3.759   3.994
  493   1HE   MET  65          HE1       MET  65  10.309   6.193   6.934
  494   2HE   MET  65          HE2       MET  65  10.395   6.676   5.240
  495   3HE   MET  65          HE3       MET  65  11.536   5.493   5.879
  496    H    ASP  66           HN       ASP  66   9.405   7.641   3.627
  497    HA   ASP  66           HA       ASP  66   7.716   7.530   5.908
  498   1HB   ASP  66          HB2       ASP  66   8.663   9.749   6.481
  499   2HB   ASP  66          HB1       ASP  66   9.888   8.541   6.117
  500    H    ALA  67           HN       ALA  67   7.764   9.873   3.200
  501    HA   ALA  67           HA       ALA  67   5.630  11.425   3.977
  502   1HB   ALA  67          HB1       ALA  67   5.838  12.404   1.978
  503   2HB   ALA  67          HB2       ALA  67   5.654  10.885   1.102
  504   3HB   ALA  67          HB3       ALA  67   7.222  11.331   1.774
  505    H    ALA  68           HN       ALA  68   5.508   8.404   2.101
  506    HA   ALA  68           HA       ALA  68   2.706   8.408   1.728
  507   1HB   ALA  68          HB1       ALA  68   4.587   6.050   1.794
  508   2HB   ALA  68          HB2       ALA  68   4.231   7.041   0.379
  509   3HB   ALA  68          HB3       ALA  68   2.959   6.066   1.116
  510    H    ASP  69           HN       ASP  69   4.658   6.373   3.919
  511    HA   ASP  69           HA       ASP  69   2.430   5.514   5.444
  512   1HB   ASP  69          HB2       ASP  69   4.315   4.101   5.464
  513   2HB   ASP  69          HB1       ASP  69   5.409   5.419   5.885
  514    H    ILE  70           HN       ILE  70   1.224   6.951   6.468
  515    HA   ILE  70           HA       ILE  70   2.337   9.301   7.725
  516    HB   ILE  70           HB       ILE  70   0.178   9.389   6.532
  517   1HG1  ILE  70          HG12      ILE  70  -1.083  10.631   8.273
  518   2HG1  ILE  70          HG11      ILE  70   0.005   9.980   9.495
  519   1HG2  ILE  70          HG21      ILE  70  -0.817   7.311   6.928
  520   2HG2  ILE  70          HG22      ILE  70  -1.824   8.461   7.808
  521   3HG2  ILE  70          HG23      ILE  70  -0.653   7.467   8.677
  522   1HD1  ILE  70          HD11      ILE  70   0.294  12.326   7.975
  523   2HD1  ILE  70          HD12      ILE  70   1.549  11.209   7.439
  524   3HD1  ILE  70          HD13      ILE  70   1.420  11.638   9.145
  525    H    ASP  71           HN       ASP  71   1.616   6.103   8.608
  526    HA   ASP  71           HA       ASP  71   0.899   6.421  11.313
  527   1HB   ASP  71          HB2       ASP  71   0.697   4.310   9.963
  528   2HB   ASP  71          HB1       ASP  71   2.442   4.120  10.094
  529    H    LYS  72           HN       LYS  72   3.692   7.286   9.765
  530    HA   LYS  72           HA       LYS  72   5.873   7.610  10.342
  531   1HB   LYS  72          HB2       LYS  72   6.119   8.936  12.450
  532   2HB   LYS  72          HB1       LYS  72   4.913   9.548  11.334
  533   1HG   LYS  72          HG2       LYS  72   3.928   9.762  13.429
  534   2HG   LYS  72          HG1       LYS  72   3.206   8.299  12.765
  535   1HD   LYS  72          HD2       LYS  72   3.787   7.935  15.081
  536   2HD   LYS  72          HD1       LYS  72   4.833   6.954  14.054
  537   1HE   LYS  72          HE2       LYS  72   6.606   8.635  14.270
  538   2HE   LYS  72          HE1       LYS  72   5.557   9.603  15.305
  539   1HZ   LYS  72          HZ1       LYS  72   7.315   7.838  16.231
  540   2HZ   LYS  72          HZ2       LYS  72   5.950   6.846  16.127
  541   3HZ   LYS  72          HZ3       LYS  72   5.900   8.258  17.058
  542    H    SER  73           HN       SER  73   4.830   4.954  10.987
  543    HA   SER  73           HA       SER  73   6.224   4.217  13.432
  544   1HB   SER  73          HB2       SER  73   5.374   1.943  12.955
  545   2HB   SER  73          HB1       SER  73   4.081   3.142  12.948
  546    HG   SER  73           HG       SER  73   3.822   1.866  11.149
  547    H    GLY  74           HN       GLY  74   7.233   4.921  10.436
  548   1HA   GLY  74          HA2       GLY  74   9.305   4.587   9.453
  549   2HA   GLY  74          HA1       GLY  74   9.703   3.476  10.757
  550    H    THR  75           HN       THR  75   6.923   2.270   9.932
  551    HA   THR  75           HA       THR  75   7.999   0.597   7.761
  552    HB   THR  75           HB       THR  75   6.169  -0.158  10.045
  553    HG1  THR  75           HG1      THR  75   8.784  -0.146   9.844
  554   1HG2  THR  75          HG21      THR  75   5.753  -1.276   7.751
  555   2HG2  THR  75          HG22      THR  75   5.888  -2.272   9.200
  556   3HG2  THR  75          HG23      THR  75   7.257  -2.130   8.097
  557    H    ILE  76           HN       ILE  76   6.776   0.355   5.965
  558    HA   ILE  76           HA       ILE  76   4.248   1.825   5.901
  559    HB   ILE  76           HB       ILE  76   5.887   2.479   4.228
  560   1HG1  ILE  76          HG12      ILE  76   3.592   0.963   2.966
  561   2HG1  ILE  76          HG11      ILE  76   3.464   2.563   3.690
  562   1HG2  ILE  76          HG21      ILE  76   6.309  -0.328   4.021
  563   2HG2  ILE  76          HG22      ILE  76   7.231   0.987   3.293
  564   3HG2  ILE  76          HG23      ILE  76   5.854   0.295   2.435
  565   1HD1  ILE  76          HD11      ILE  76   4.329   1.796   1.054
  566   2HD1  ILE  76          HD12      ILE  76   5.543   2.785   1.866
  567   3HD1  ILE  76          HD13      ILE  76   3.895   3.386   1.682
  568    H    ASP  77           HN       ASP  77   2.351   0.875   5.651
  569    HA   ASP  77           HA       ASP  77   2.293  -2.011   5.050
  570   1HB   ASP  77          HB2       ASP  77   1.684  -1.414   7.403
  571   2HB   ASP  77          HB1       ASP  77   0.347  -0.458   6.775
  572    H    TYR  78           HN       TYR  78   0.352  -2.768   3.935
  573    HA   TYR  78           HA       TYR  78  -0.225  -1.370   1.624
  574   1HB   TYR  78          HB2       TYR  78  -0.689  -3.842   2.184
  575   2HB   TYR  78          HB1       TYR  78  -2.206  -3.269   2.866
  576    HD1  TYR  78           HD1      TYR  78  -3.920  -3.907   1.442
  577    HD2  TYR  78           HD2      TYR  78  -0.354  -2.297  -0.229
  578    HE1  TYR  78           HE1      TYR  78  -4.943  -3.971  -0.794
  579    HE2  TYR  78           HE2      TYR  78  -1.368  -2.356  -2.467
  580    HH   TYR  78           HH       TYR  78  -3.122  -2.986  -3.678
  581    H    GLY  79           HN       GLY  79  -1.644  -1.053   4.773
  582   1HA   GLY  79          HA2       GLY  79  -4.004   0.333   3.901
  583   2HA   GLY  79          HA1       GLY  79  -3.435   0.178   5.555
  584    H    GLU  80           HN       GLU  80  -0.779   1.278   4.909
  585    HA   GLU  80           HA       GLU  80  -1.239   3.956   5.518
  586   1HB   GLU  80          HB2       GLU  80   1.197   2.737   4.206
  587   2HB   GLU  80          HB1       GLU  80   1.136   4.320   4.969
  588   1HG   GLU  80          HG2       GLU  80   0.767   1.657   6.319
  589   2HG   GLU  80          HG1       GLU  80   2.158   2.731   6.455
  590    H    PHE  81           HN       PHE  81  -0.446   2.460   2.403
  591    HA   PHE  81           HA       PHE  81  -0.212   4.601   0.743
  592   1HB   PHE  81          HB2       PHE  81  -1.749   2.053   0.187
  593   2HB   PHE  81          HB1       PHE  81  -1.276   3.213  -1.046
  594    HD1  PHE  81           HD1      PHE  81   0.177   1.032   1.608
  595    HD2  PHE  81           HD2      PHE  81   0.731   2.966  -2.143
  596    HE1  PHE  81           HE1      PHE  81   2.329  -0.122   1.336
  597    HE2  PHE  81           HE2      PHE  81   2.884   1.810  -2.423
  598    HZ   PHE  81           HZ       PHE  81   3.685   0.263  -0.683
  599    H    ILE  82           HN       ILE  82  -3.218   3.228   1.988
  600    HA   ILE  82           HA       ILE  82  -4.906   5.052   0.549
  601    HB   ILE  82           HB       ILE  82  -5.575   3.278   2.901
  602   1HG1  ILE  82          HG12      ILE  82  -4.721   1.984   1.004
  603   2HG1  ILE  82          HG11      ILE  82  -6.445   1.708   1.220
  604   1HG2  ILE  82          HG21      ILE  82  -7.146   5.136   1.258
  605   2HG2  ILE  82          HG22      ILE  82  -7.443   4.523   2.885
  606   3HG2  ILE  82          HG23      ILE  82  -7.867   3.542   1.482
  607   1HD1  ILE  82          HD11      ILE  82  -6.395   3.780  -0.568
  608   2HD1  ILE  82          HD12      ILE  82  -6.589   2.073  -0.969
  609   3HD1  ILE  82          HD13      ILE  82  -4.993   2.821  -1.041
  610    H    ALA  83           HN       ALA  83  -3.625   4.822   3.829
  611    HA   ALA  83           HA       ALA  83  -5.135   6.825   5.047
  612   1HB   ALA  83          HB1       ALA  83  -3.098   5.147   5.821
  613   2HB   ALA  83          HB2       ALA  83  -3.865   6.377   6.827
  614   3HB   ALA  83          HB3       ALA  83  -2.373   6.749   5.963
  615    H    ALA  84           HN       ALA  84  -2.540   7.048   2.773
  616    HA   ALA  84           HA       ALA  84  -2.275   9.933   3.260
  617   1HB   ALA  84          HB1       ALA  84  -0.412   9.227   1.328
  618   2HB   ALA  84          HB2       ALA  84  -0.432   7.859   2.440
  619   3HB   ALA  84          HB3       ALA  84  -0.105   9.483   3.045
  620    H    THR  85           HN       THR  85  -3.896  10.917   2.179
  621    HA   THR  85           HA       THR  85  -4.182  10.296  -0.688
  622    HB   THR  85           HB       THR  85  -6.498  11.147  -0.504
  623    HG1  THR  85           HG1      THR  85  -5.947  12.414   1.461
  624   1HG2  THR  85          HG21      THR  85  -7.023   9.023  -0.209
  625   2HG2  THR  85          HG22      THR  85  -6.990   9.312   1.530
  626   3HG2  THR  85          HG23      THR  85  -5.545   8.725   0.707
  627    H    VAL  86           HN       VAL  86  -4.782  12.125  -2.066
  628    HA   VAL  86           HA       VAL  86  -3.230  14.472  -1.355
  629    HB   VAL  86           HB       VAL  86  -3.607  15.186  -3.679
  630   1HG1  VAL  86          HG11      VAL  86  -1.757  14.005  -4.024
  631   2HG1  VAL  86          HG12      VAL  86  -2.770  12.640  -4.496
  632   3HG1  VAL  86          HG13      VAL  86  -2.241  12.809  -2.822
  633   1HG2  VAL  86          HG21      VAL  86  -5.362  14.451  -4.825
  634   2HG2  VAL  86          HG22      VAL  86  -5.763  13.330  -3.525
  635   3HG2  VAL  86          HG23      VAL  86  -4.676  12.827  -4.819
  636    H    HIS  87           HN       HIS  87  -4.016  16.605  -1.419
  637    HA   HIS  87           HA       HIS  87  -5.465  18.275  -0.896
  638   1HB   HIS  87          HB2       HIS  87  -7.447  16.594  -2.445
  639   2HB   HIS  87          HB1       HIS  87  -7.615  18.304  -2.063
  640    HD1  HIS  87           HD1      HIS  87  -5.260  19.669  -2.995
  641    HD2  HIS  87           HD2      HIS  87  -6.642  16.299  -4.993
  642    HE1  HIS  87           HE1      HIS  87  -4.276  19.807  -5.304
  643    HE2  HIS  87           HE2      HIS  87  -5.047  17.707  -6.463
  Start of MODEL   15
    1   1H    HIS   1           HT1      HIS   1  16.040  15.613  -2.844
    2   2H    HIS   1           HT2      HIS   1  14.472  16.151  -2.510
    3   3H    HIS   1           HT3      HIS   1  15.081  16.250  -4.084
    4    HA   HIS   1           HA       HIS   1  14.315  13.831  -2.570
    5   1HB   HIS   1          HB2       HIS   1  13.486  14.963  -5.253
    6   2HB   HIS   1          HB1       HIS   1  12.867  13.477  -4.541
    7    HD1  HIS   1           HD1      HIS   1  11.885  14.067  -1.907
    8    HD2  HIS   1           HD2      HIS   1  11.738  16.971  -4.877
    9    HE1  HIS   1           HE1      HIS   1  10.128  15.704  -1.161
   10    HE2  HIS   1           HE2      HIS   1   9.993  17.403  -3.017
   11    H    SER   2           HN       SER   2  15.454  12.034  -2.895
   12    HA   SER   2           HA       SER   2  17.703  11.997  -4.649
   13   1HB   SER   2          HB2       SER   2  17.735  10.772  -2.529
   14   2HB   SER   2          HB1       SER   2  16.408   9.751  -3.084
   15    HG   SER   2           HG       SER   2  18.975   9.933  -4.284
   16    H    SER   3           HN       SER   3  18.005  10.923  -6.565
   17    HA   SER   3           HA       SER   3  15.622   9.683  -7.774
   18   1HB   SER   3          HB2       SER   3  15.996  11.911  -8.747
   19   2HB   SER   3          HB1       SER   3  17.647  11.455  -9.166
   20    HG   SER   3           HG       SER   3  16.808  10.739 -10.945
   21    H    GLY   4           HN       GLY   4  17.361   8.095  -6.457
   22   1HA   GLY   4          HA2       GLY   4  18.011   6.083  -8.170
   23   2HA   GLY   4          HA1       GLY   4  19.439   7.107  -8.188
   24    H    HIS   5           HN       HIS   5  19.505   7.925  -5.531
   25    HA   HIS   5           HA       HIS   5  20.045   5.370  -4.167
   26   1HB   HIS   5          HB2       HIS   5  21.391   8.051  -3.765
   27   2HB   HIS   5          HB1       HIS   5  21.778   6.569  -2.898
   28    HD1  HIS   5           HD1      HIS   5  21.542   7.533  -6.582
   29    HD2  HIS   5           HD2      HIS   5  23.979   5.432  -3.953
   30    HE1  HIS   5           HE1      HIS   5  23.454   6.680  -7.975
   31    HE2  HIS   5           HE2      HIS   5  24.874   5.344  -6.379
   32    H    ILE   6           HN       ILE   6  17.643   5.646  -3.661
   33    HA   ILE   6           HA       ILE   6  17.153   7.513  -1.479
   34    HB   ILE   6           HB       ILE   6  15.425   7.619  -3.056
   35   1HG1  ILE   6          HG12      ILE   6  14.505   5.688  -0.935
   36   2HG1  ILE   6          HG11      ILE   6  14.628   7.431  -0.732
   37   1HG2  ILE   6          HG21      ILE   6  14.193   5.425  -3.692
   38   2HG2  ILE   6          HG22      ILE   6  15.693   4.646  -3.188
   39   3HG2  ILE   6          HG23      ILE   6  15.711   5.834  -4.492
   40   1HD1  ILE   6          HD11      ILE   6  12.334   6.307  -1.259
   41   2HD1  ILE   6          HD12      ILE   6  12.926   6.343  -2.920
   42   3HD1  ILE   6          HD13      ILE   6  12.768   7.844  -2.007
   43    H    ASP   7           HN       ASP   7  17.804   6.751   0.424
   44    HA   ASP   7           HA       ASP   7  17.837   3.960   1.066
   45   1HB   ASP   7          HB2       ASP   7  18.671   4.735   3.269
   46   2HB   ASP   7          HB1       ASP   7  19.587   5.404   1.923
   47    H    ASP   8           HN       ASP   8  15.439   3.814   0.615
   48    HA   ASP   8           HA       ASP   8  13.998   4.165   3.150
   49   1HB   ASP   8          HB2       ASP   8  12.954   4.789   0.384
   50   2HB   ASP   8          HB1       ASP   8  11.921   4.629   1.801
   51    H    ASP   9           HN       ASP   9  12.931   2.859   0.034
   52    HA   ASP   9           HA       ASP   9  12.997   0.149   1.141
   53   1HB   ASP   9          HB2       ASP   9  10.533   1.440  -0.054
   54   2HB   ASP   9          HB1       ASP   9  10.681  -0.268   0.345
   55    H    ASP  10           HN       ASP  10  13.969   2.089  -1.217
   56    HA   ASP  10           HA       ASP  10  13.386   0.354  -3.470
   57   1HB   ASP  10          HB2       ASP  10  13.326   2.908  -3.486
   58   2HB   ASP  10          HB1       ASP  10  15.082   2.831  -3.487
   59    H    LYS  11           HN       LYS  11  16.310   1.906  -2.223
   60    HA   LYS  11           HA       LYS  11  17.980  -0.104  -3.452
   61   1HB   LYS  11          HB2       LYS  11  19.818   1.321  -2.829
   62   2HB   LYS  11          HB1       LYS  11  18.522   2.306  -3.485
   63   1HG   LYS  11          HG2       LYS  11  19.181   3.563  -1.691
   64   2HG   LYS  11          HG1       LYS  11  17.847   2.637  -1.005
   65   1HD   LYS  11          HD2       LYS  11  19.693   2.653   0.546
   66   2HD   LYS  11          HD1       LYS  11  19.488   1.023  -0.095
   67   1HE   LYS  11          HE2       LYS  11  21.842   1.610  -0.016
   68   2HE   LYS  11          HE1       LYS  11  21.310   1.431  -1.687
   69   1HZ   LYS  11          HZ1       LYS  11  21.941   3.496  -2.109
   70   2HZ   LYS  11          HZ2       LYS  11  22.572   3.616  -0.545
   71   3HZ   LYS  11          HZ3       LYS  11  20.984   4.110  -0.855
   72    H    HIS  12           HN       HIS  12  16.931   0.804  -0.251
   73    HA   HIS  12           HA       HIS  12  18.791  -0.888   1.123
   74   1HB   HIS  12          HB2       HIS  12  16.640   0.961   1.854
   75   2HB   HIS  12          HB1       HIS  12  16.753  -0.445   2.914
   76    HD1  HIS  12           HD1      HIS  12  19.488  -0.867   3.614
   77    HD2  HIS  12           HD2      HIS  12  18.150   2.976   2.786
   78    HE1  HIS  12           HE1      HIS  12  21.156   0.672   4.696
   79    HE2  HIS  12           HE2      HIS  12  20.265   2.990   4.273
   80    H    MET  13           HN       MET  13  15.590  -1.273  -0.180
   81    HA   MET  13           HA       MET  13  15.159  -3.781   1.220
   82   1HB   MET  13          HB2       MET  13  13.259  -2.294   0.855
   83   2HB   MET  13          HB1       MET  13  13.501  -2.386  -0.884
   84   1HG   MET  13          HG2       MET  13  13.014  -4.786  -0.815
   85   2HG   MET  13          HG1       MET  13  12.739  -4.668   0.922
   86   1HE   MET  13          HE1       MET  13  11.066  -3.158   1.994
   87   2HE   MET  13          HE2       MET  13   9.533  -2.660   1.278
   88   3HE   MET  13          HE3       MET  13  10.991  -1.711   0.988
   89    H    ALA  14           HN       ALA  14  16.029  -2.684  -2.005
   90    HA   ALA  14           HA       ALA  14  15.884  -5.367  -3.091
   91   1HB   ALA  14          HB1       ALA  14  16.882  -4.133  -5.137
   92   2HB   ALA  14          HB2       ALA  14  16.478  -2.673  -4.233
   93   3HB   ALA  14          HB3       ALA  14  15.211  -3.821  -4.665
   94    H    GLU  15           HN       GLU  15  18.137  -3.795  -1.235
   95    HA   GLU  15           HA       GLU  15  20.472  -4.782  -2.633
   96   1HB   GLU  15          HB2       GLU  15  21.769  -3.801  -0.818
   97   2HB   GLU  15          HB1       GLU  15  20.609  -2.641  -1.449
   98   1HG   GLU  15          HG2       GLU  15  19.143  -3.035   0.433
   99   2HG   GLU  15          HG1       GLU  15  20.234  -4.274   1.049
  100    H    ARG  16           HN       ARG  16  18.645  -5.542   0.268
  101    HA   ARG  16           HA       ARG  16  19.809  -8.213   0.231
  102   1HB   ARG  16          HB2       ARG  16  20.126  -8.082   2.755
  103   2HB   ARG  16          HB1       ARG  16  21.299  -7.231   1.761
  104   1HG   ARG  16          HG2       ARG  16  20.193  -5.122   2.211
  105   2HG   ARG  16          HG1       ARG  16  18.948  -5.954   3.144
  106   1HD   ARG  16          HD2       ARG  16  21.891  -5.925   3.806
  107   2HD   ARG  16          HD1       ARG  16  20.672  -4.904   4.567
  108    HE   ARG  16           HE       ARG  16  19.878  -7.579   4.817
  109   1HH1  ARG  16          HH11      ARG  16  22.363  -5.425   5.973
  110   2HH1  ARG  16          HH12      ARG  16  22.573  -6.266   7.473
  111   1HH2  ARG  16          HH21      ARG  16  20.148  -8.689   6.791
  112   2HH2  ARG  16          HH22      ARG  16  21.313  -8.118   7.938
  113    H    LEU  17           HN       LEU  17  18.389  -7.627   3.201
  114    HA   LEU  17           HA       LEU  17  16.239  -9.355   2.757
  115   1HB   LEU  17          HB2       LEU  17  17.339  -8.822   4.945
  116   2HB   LEU  17          HB1       LEU  17  16.492  -7.289   4.941
  117    HG   LEU  17           HG       LEU  17  14.997  -9.897   4.824
  118   1HD1  LEU  17          HD11      LEU  17  16.540  -9.842   6.793
  119   2HD1  LEU  17          HD12      LEU  17  14.827  -9.913   7.203
  120   3HD1  LEU  17          HD13      LEU  17  15.703  -8.388   7.333
  121   1HD2  LEU  17          HD21      LEU  17  13.469  -8.174   6.205
  122   2HD2  LEU  17          HD22      LEU  17  13.406  -8.335   4.450
  123   3HD2  LEU  17          HD23      LEU  17  14.352  -7.039   5.182
  124    H    SER  18           HN       SER  18  14.036  -9.030   2.548
  125    HA   SER  18           HA       SER  18  13.101  -6.306   1.997
  126   1HB   SER  18          HB2       SER  18  11.841  -7.141   0.027
  127   2HB   SER  18          HB1       SER  18  13.585  -7.289  -0.183
  128    HG   SER  18           HG       SER  18  13.395  -9.490   0.369
  129    H    GLU  19           HN       GLU  19  11.663  -6.011   3.580
  130    HA   GLU  19           HA       GLU  19  10.075  -8.199   4.601
  131   1HB   GLU  19          HB2       GLU  19  10.214  -5.279   5.340
  132   2HB   GLU  19          HB1       GLU  19   9.185  -6.446   6.158
  133   1HG   GLU  19          HG2       GLU  19  11.161  -7.721   6.817
  134   2HG   GLU  19          HG1       GLU  19  12.188  -6.547   5.994
  135    H    GLU  20           HN       GLU  20   9.706  -6.009   2.077
  136    HA   GLU  20           HA       GLU  20   6.877  -5.587   2.342
  137   1HB   GLU  20          HB2       GLU  20   8.328  -3.971   1.174
  138   2HB   GLU  20          HB1       GLU  20   8.672  -5.179  -0.057
  139   1HG   GLU  20          HG2       GLU  20   6.335  -5.205  -0.714
  140   2HG   GLU  20          HG1       GLU  20   5.953  -4.040   0.553
  141    H    GLU  21           HN       GLU  21   8.779  -7.313  -0.139
  142    HA   GLU  21           HA       GLU  21   6.616  -8.650  -1.295
  143   1HB   GLU  21          HB2       GLU  21   9.542  -9.385  -1.199
  144   2HB   GLU  21          HB1       GLU  21   8.359 -10.228  -2.188
  145   1HG   GLU  21          HG2       GLU  21   9.575  -8.640  -3.525
  146   2HG   GLU  21          HG1       GLU  21   7.890  -8.142  -3.387
  147    H    ILE  22           HN       ILE  22   8.470  -9.388   1.549
  148    HA   ILE  22           HA       ILE  22   7.334 -12.073   1.727
  149    HB   ILE  22           HB       ILE  22   9.294 -10.705   3.575
  150   1HG1  ILE  22          HG12      ILE  22   9.787 -12.690   1.344
  151   2HG1  ILE  22          HG11      ILE  22  10.178 -10.974   1.286
  152   1HG2  ILE  22          HG21      ILE  22   7.930 -12.623   4.495
  153   2HG2  ILE  22          HG22      ILE  22   9.680 -12.826   4.554
  154   3HG2  ILE  22          HG23      ILE  22   8.738 -13.651   3.311
  155   1HD1  ILE  22          HD11      ILE  22  12.020 -11.217   2.561
  156   2HD1  ILE  22          HD12      ILE  22  11.947 -12.862   1.929
  157   3HD1  ILE  22          HD13      ILE  22  11.314 -12.505   3.536
  158    H    GLY  23           HN       GLY  23   6.697  -8.913   2.879
  159   1HA   GLY  23          HA2       GLY  23   5.319  -9.892   5.264
  160   2HA   GLY  23          HA1       GLY  23   5.597  -8.212   4.847
  161    H    GLY  24           HN       GLY  24   4.377  -7.552   2.730
  162   1HA   GLY  24          HA2       GLY  24   1.593  -8.294   3.216
  163   2HA   GLY  24          HA1       GLY  24   2.148  -6.884   2.336
  164    H    LEU  25           HN       LEU  25   3.872  -8.171   0.505
  165    HA   LEU  25           HA       LEU  25   2.235  -8.677  -1.611
  166   1HB   LEU  25          HB2       LEU  25   5.035  -9.512  -1.012
  167   2HB   LEU  25          HB1       LEU  25   4.256 -10.104  -2.466
  168    HG   LEU  25           HG       LEU  25   5.635  -8.123  -2.902
  169   1HD1  LEU  25          HD11      LEU  25   2.803  -8.362  -3.498
  170   2HD1  LEU  25          HD12      LEU  25   4.157  -7.962  -4.556
  171   3HD1  LEU  25          HD13      LEU  25   3.383  -6.700  -3.597
  172   1HD2  LEU  25          HD21      LEU  25   4.890  -7.188  -0.515
  173   2HD2  LEU  25          HD22      LEU  25   3.728  -6.328  -1.524
  174   3HD2  LEU  25          HD23      LEU  25   5.457  -6.142  -1.815
  175    H    LYS  26           HN       LYS  26   2.652 -10.792   1.027
  176    HA   LYS  26           HA       LYS  26   1.983 -13.166  -0.516
  177   1HB   LYS  26          HB2       LYS  26   3.591 -13.343   1.322
  178   2HB   LYS  26          HB1       LYS  26   2.371 -12.772   2.452
  179   1HG   LYS  26          HG2       LYS  26   1.015 -14.766   1.963
  180   2HG   LYS  26          HG1       LYS  26   2.288 -15.345   0.888
  181   1HD   LYS  26          HD2       LYS  26   2.504 -16.438   3.025
  182   2HD   LYS  26          HD1       LYS  26   3.855 -15.325   2.810
  183   1HE   LYS  26          HE2       LYS  26   2.724 -13.672   4.208
  184   2HE   LYS  26          HE1       LYS  26   1.357 -14.767   4.407
  185   1HZ   LYS  26          HZ1       LYS  26   3.929 -15.885   5.117
  186   2HZ   LYS  26          HZ2       LYS  26   2.446 -15.979   5.926
  187   3HZ   LYS  26          HZ3       LYS  26   3.420 -14.607   6.103
  188    H    GLU  27           HN       GLU  27   0.602 -11.856   2.506
  189    HA   GLU  27           HA       GLU  27  -1.984 -12.935   1.738
  190   1HB   GLU  27          HB2       GLU  27  -2.622 -12.185   4.081
  191   2HB   GLU  27          HB1       GLU  27  -1.448 -13.486   3.944
  192   1HG   GLU  27          HG2       GLU  27   0.359 -11.904   4.369
  193   2HG   GLU  27          HG1       GLU  27  -0.813 -10.592   4.482
  194    H    LEU  28           HN       LEU  28  -1.054  -9.885   3.280
  195    HA   LEU  28           HA       LEU  28  -3.324  -8.461   2.945
  196   1HB   LEU  28          HB2       LEU  28  -1.380  -7.700   4.204
  197   2HB   LEU  28          HB1       LEU  28  -0.514  -7.403   2.709
  198    HG   LEU  28           HG       LEU  28  -2.181  -5.672   2.112
  199   1HD1  LEU  28          HD11      LEU  28  -3.276  -5.260   4.728
  200   2HD1  LEU  28          HD12      LEU  28  -3.683  -6.877   4.155
  201   3HD1  LEU  28          HD13      LEU  28  -4.110  -5.465   3.188
  202   1HD2  LEU  28          HD21      LEU  28  -1.537  -4.110   4.070
  203   2HD2  LEU  28          HD22      LEU  28  -0.261  -4.776   3.049
  204   3HD2  LEU  28          HD23      LEU  28  -0.583  -5.482   4.633
  205    H    PHE  29           HN       PHE  29  -0.725  -8.660   0.514
  206    HA   PHE  29           HA       PHE  29  -2.099  -6.881  -1.268
  207   1HB   PHE  29          HB2       PHE  29   0.316  -8.643  -1.596
  208   2HB   PHE  29          HB1       PHE  29  -0.347  -7.704  -2.931
  209    HD1  PHE  29           HD1      PHE  29   1.172  -6.032  -3.352
  210    HD2  PHE  29           HD2      PHE  29   0.030  -6.837   0.661
  211    HE1  PHE  29           HE1      PHE  29   2.430  -4.066  -2.600
  212    HE2  PHE  29           HE2      PHE  29   1.283  -4.878   1.419
  213    HZ   PHE  29           HZ       PHE  29   2.493  -3.478  -0.210
  214    H    LYS  30           HN       LYS  30  -1.162 -10.262  -1.752
  215    HA   LYS  30           HA       LYS  30  -2.579 -10.835  -3.994
  216   1HB   LYS  30          HB2       LYS  30  -2.208 -12.623  -1.589
  217   2HB   LYS  30          HB1       LYS  30  -2.754 -13.182  -3.163
  218   1HG   LYS  30          HG2       LYS  30  -0.115 -11.824  -2.658
  219   2HG   LYS  30          HG1       LYS  30  -0.349 -13.571  -2.749
  220   1HD   LYS  30          HD2       LYS  30  -1.012 -11.628  -4.961
  221   2HD   LYS  30          HD1       LYS  30   0.474 -12.577  -4.868
  222   1HE   LYS  30          HE2       LYS  30  -2.331 -13.677  -5.032
  223   2HE   LYS  30          HE1       LYS  30  -1.159 -13.630  -6.348
  224   1HZ   LYS  30          HZ1       LYS  30  -1.343 -15.803  -5.159
  225   2HZ   LYS  30          HZ2       LYS  30  -0.672 -15.058  -3.796
  226   3HZ   LYS  30          HZ3       LYS  30   0.223 -15.166  -5.226
  227    H    MET  31           HN       MET  31  -3.892 -10.488  -0.762
  228    HA   MET  31           HA       MET  31  -6.516 -11.364  -1.596
  229   1HB   MET  31          HB2       MET  31  -5.768 -12.121   0.541
  230   2HB   MET  31          HB1       MET  31  -5.362 -10.488   1.045
  231   1HG   MET  31          HG2       MET  31  -8.171 -11.238   0.356
  232   2HG   MET  31          HG1       MET  31  -7.498 -11.567   1.952
  233   1HE   MET  31          HE1       MET  31  -9.897  -8.408   2.243
  234   2HE   MET  31          HE2       MET  31  -9.590 -10.023   2.882
  235   3HE   MET  31          HE3       MET  31 -10.040  -9.816   1.191
  236    H    ILE  32           HN       ILE  32  -4.876  -8.324  -0.780
  237    HA   ILE  32           HA       ILE  32  -7.410  -6.876  -1.028
  238    HB   ILE  32           HB       ILE  32  -4.671  -5.987  -0.139
  239   1HG1  ILE  32          HG12      ILE  32  -6.084  -7.170   1.511
  240   2HG1  ILE  32          HG11      ILE  32  -5.787  -5.496   1.967
  241   1HG2  ILE  32          HG21      ILE  32  -5.542  -4.195  -1.488
  242   2HG2  ILE  32          HG22      ILE  32  -5.653  -3.743   0.214
  243   3HG2  ILE  32          HG23      ILE  32  -7.095  -4.272  -0.654
  244   1HD1  ILE  32          HD11      ILE  32  -7.956  -5.016   1.965
  245   2HD1  ILE  32          HD12      ILE  32  -8.225  -6.758   1.901
  246   3HD1  ILE  32          HD13      ILE  32  -8.218  -5.811   0.413
  247    H    ASP  33           HN       ASP  33  -4.104  -6.365  -2.168
  248    HA   ASP  33           HA       ASP  33  -4.679  -4.648  -4.247
  249   1HB   ASP  33          HB2       ASP  33  -2.405  -5.257  -3.305
  250   2HB   ASP  33          HB1       ASP  33  -2.473  -6.716  -4.288
  251    H    THR  34           HN       THR  34  -6.445  -5.215  -5.460
  252    HA   THR  34           HA       THR  34  -6.996  -7.749  -6.512
  253    HB   THR  34           HB       THR  34  -7.728  -5.043  -7.665
  254    HG1  THR  34           HG1      THR  34  -8.369  -5.964  -5.364
  255   1HG2  THR  34          HG21      THR  34  -8.118  -7.141  -9.095
  256   2HG2  THR  34          HG22      THR  34  -9.457  -6.021  -8.845
  257   3HG2  THR  34          HG23      THR  34  -9.376  -7.520  -7.919
  258    H    ASP  35           HN       ASP  35  -4.523  -5.629  -7.160
  259    HA   ASP  35           HA       ASP  35  -4.107  -6.499  -9.906
  260   1HB   ASP  35          HB2       ASP  35  -3.847  -4.075  -9.090
  261   2HB   ASP  35          HB1       ASP  35  -2.346  -4.626  -8.355
  262    H    ASN  36           HN       ASN  36  -2.945  -7.074  -6.663
  263    HA   ASN  36           HA       ASN  36  -1.247  -8.370  -5.858
  264   1HB   ASN  36          HB2       ASN  36  -1.669  -9.957  -8.396
  265   2HB   ASN  36          HB1       ASN  36  -1.034 -10.550  -6.865
  266   1HD2  ASN  36          HD21      ASN  36  -3.651 -10.598  -8.761
  267   2HD2  ASN  36          HD22      ASN  36  -4.891 -10.822  -7.579
  268    H    SER  37           HN       SER  37  -0.600  -6.182  -7.891
  269    HA   SER  37           HA       SER  37   1.833  -7.204  -9.127
  270   1HB   SER  37          HB2       SER  37   2.036  -4.935 -10.089
  271   2HB   SER  37          HB1       SER  37   0.456  -5.645 -10.420
  272    HG   SER  37           HG       SER  37   0.035  -4.425  -8.236
  273    H    GLY  38           HN       GLY  38   0.828  -5.624  -6.291
  274   1HA   GLY  38          HA2       GLY  38   2.425  -5.612  -4.438
  275   2HA   GLY  38          HA1       GLY  38   3.667  -5.149  -5.590
  276    H    THR  39           HN       THR  39   0.874  -3.499  -6.319
  277    HA   THR  39           HA       THR  39   1.372  -1.310  -4.447
  278    HB   THR  39           HB       THR  39   1.410   0.342  -6.297
  279    HG1  THR  39           HG1      THR  39   2.125  -1.347  -8.263
  280   1HG2  THR  39          HG21      THR  39   3.540  -1.068  -5.418
  281   2HG2  THR  39          HG22      THR  39   3.627   0.281  -6.551
  282   3HG2  THR  39          HG23      THR  39   3.619  -1.377  -7.152
  283    H    ILE  40           HN       ILE  40  -0.501  -0.400  -3.783
  284    HA   ILE  40           HA       ILE  40  -2.929  -1.199  -5.240
  285    HB   ILE  40           HB       ILE  40  -2.538  -0.343  -2.373
  286   1HG1  ILE  40          HG12      ILE  40  -3.579  -2.579  -1.939
  287   2HG1  ILE  40          HG11      ILE  40  -3.503  -2.894  -3.670
  288   1HG2  ILE  40          HG21      ILE  40  -4.715   0.094  -2.086
  289   2HG2  ILE  40          HG22      ILE  40  -5.217  -1.227  -3.141
  290   3HG2  ILE  40          HG23      ILE  40  -4.743   0.322  -3.835
  291   1HD1  ILE  40          HD11      ILE  40  -1.033  -2.177  -2.144
  292   2HD1  ILE  40          HD12      ILE  40  -1.193  -3.071  -3.657
  293   3HD1  ILE  40          HD13      ILE  40  -1.657  -3.827  -2.132
  294    H    THR  41           HN       THR  41  -4.406   0.262  -5.959
  295    HA   THR  41           HA       THR  41  -3.864   3.113  -5.476
  296    HB   THR  41           HB       THR  41  -4.497   3.582  -7.824
  297    HG1  THR  41           HG1      THR  41  -5.397   1.159  -7.811
  298   1HG2  THR  41          HG21      THR  41  -2.198   1.670  -7.518
  299   2HG2  THR  41          HG22      THR  41  -2.146   3.431  -7.426
  300   3HG2  THR  41          HG23      THR  41  -2.514   2.638  -8.958
  301    H    PHE  42           HN       PHE  42  -5.677   4.415  -5.288
  302    HA   PHE  42           HA       PHE  42  -7.883   3.674  -4.044
  303   1HB   PHE  42          HB2       PHE  42  -7.403   5.992  -4.473
  304   2HB   PHE  42          HB1       PHE  42  -7.687   5.780  -6.197
  305    HD1  PHE  42           HD1      PHE  42  -9.495   7.080  -6.741
  306    HD2  PHE  42           HD2      PHE  42  -9.660   4.657  -3.251
  307    HE1  PHE  42           HE1      PHE  42 -11.853   7.682  -6.439
  308    HE2  PHE  42           HE2      PHE  42 -12.017   5.251  -2.943
  309    HZ   PHE  42           HZ       PHE  42 -13.128   6.769  -4.537
  310    H    ASP  43           HN       ASP  43  -7.666   3.716  -7.602
  311    HA   ASP  43           HA       ASP  43 -10.244   2.989  -8.236
  312   1HB   ASP  43          HB2       ASP  43  -8.522   3.579  -9.903
  313   2HB   ASP  43          HB1       ASP  43  -7.717   2.041  -9.608
  314    H    GLU  44           HN       GLU  44  -7.518   0.834  -7.519
  315    HA   GLU  44           HA       GLU  44  -9.265  -1.486  -7.533
  316   1HB   GLU  44          HB2       GLU  44  -7.188  -2.761  -7.193
  317   2HB   GLU  44          HB1       GLU  44  -7.076  -1.678  -8.571
  318   1HG   GLU  44          HG2       GLU  44  -5.941  -0.044  -7.009
  319   2HG   GLU  44          HG1       GLU  44  -5.798  -1.394  -5.884
  320    H    LEU  45           HN       LEU  45  -8.084   0.766  -5.266
  321    HA   LEU  45           HA       LEU  45  -7.845  -0.825  -2.977
  322   1HB   LEU  45          HB2       LEU  45  -7.048   1.507  -3.129
  323   2HB   LEU  45          HB1       LEU  45  -8.713   2.061  -3.123
  324    HG   LEU  45           HG       LEU  45  -9.016   1.116  -0.868
  325   1HD1  LEU  45          HD11      LEU  45  -6.052   0.581  -0.920
  326   2HD1  LEU  45          HD12      LEU  45  -7.288  -0.662  -1.110
  327   3HD1  LEU  45          HD13      LEU  45  -7.180   0.251   0.395
  328   1HD2  LEU  45          HD21      LEU  45  -8.304   3.460  -1.208
  329   2HD2  LEU  45          HD22      LEU  45  -6.627   2.944  -1.038
  330   3HD2  LEU  45          HD23      LEU  45  -7.742   2.778   0.317
  331    H    LYS  46           HN       LYS  46 -10.610   0.933  -4.310
  332    HA   LYS  46           HA       LYS  46 -12.501   0.623  -2.379
  333   1HB   LYS  46          HB2       LYS  46 -12.918   0.344  -5.357
  334   2HB   LYS  46          HB1       LYS  46 -14.184   0.663  -4.179
  335   1HG   LYS  46          HG2       LYS  46 -13.052   2.771  -3.583
  336   2HG   LYS  46          HG1       LYS  46 -11.862   2.457  -4.848
  337   1HD   LYS  46          HD2       LYS  46 -14.834   2.768  -5.272
  338   2HD   LYS  46          HD1       LYS  46 -13.617   3.999  -5.604
  339   1HE   LYS  46          HE2       LYS  46 -12.572   2.511  -7.250
  340   2HE   LYS  46          HE1       LYS  46 -13.801   1.290  -6.921
  341   1HZ   LYS  46          HZ1       LYS  46 -15.236   2.311  -8.255
  342   2HZ   LYS  46          HZ2       LYS  46 -13.945   3.254  -8.809
  343   3HZ   LYS  46          HZ3       LYS  46 -14.941   3.830  -7.569
  344    H    ASP  47           HN       ASP  47 -11.894  -1.715  -5.005
  345    HA   ASP  47           HA       ASP  47 -13.730  -3.631  -4.525
  346   1HB   ASP  47          HB2       ASP  47 -10.816  -4.117  -5.167
  347   2HB   ASP  47          HB1       ASP  47 -12.112  -5.288  -5.387
  348    H    GLY  48           HN       GLY  48 -11.120  -2.812  -2.418
  349   1HA   GLY  48          HA2       GLY  48 -10.945  -5.231  -0.958
  350   2HA   GLY  48          HA1       GLY  48 -10.460  -3.643  -0.376
  351    H    LEU  49           HN       LEU  49 -12.626  -2.191  -0.177
  352    HA   LEU  49           HA       LEU  49 -14.191  -3.573   1.856
  353   1HB   LEU  49          HB2       LEU  49 -14.012  -0.668   1.053
  354   2HB   LEU  49          HB1       LEU  49 -15.116  -1.264   2.276
  355    HG   LEU  49           HG       LEU  49 -13.183  -0.287   3.338
  356   1HD1  LEU  49          HD11      LEU  49 -14.213  -2.266   4.376
  357   2HD1  LEU  49          HD12      LEU  49 -12.495  -2.122   4.747
  358   3HD1  LEU  49          HD13      LEU  49 -13.042  -3.289   3.544
  359   1HD2  LEU  49          HD21      LEU  49 -10.954  -0.935   2.954
  360   2HD2  LEU  49          HD22      LEU  49 -11.663  -0.723   1.353
  361   3HD2  LEU  49          HD23      LEU  49 -11.440  -2.344   2.012
  362    H    LYS  50           HN       LYS  50 -14.372  -2.820  -1.401
  363    HA   LYS  50           HA       LYS  50 -17.134  -2.293  -1.697
  364   1HB   LYS  50          HB2       LYS  50 -15.388  -1.758  -3.395
  365   2HB   LYS  50          HB1       LYS  50 -15.228  -3.476  -3.721
  366   1HG   LYS  50          HG2       LYS  50 -17.851  -2.053  -4.022
  367   2HG   LYS  50          HG1       LYS  50 -16.652  -2.081  -5.312
  368   1HD   LYS  50          HD2       LYS  50 -17.890  -4.513  -4.017
  369   2HD   LYS  50          HD1       LYS  50 -18.349  -3.839  -5.581
  370   1HE   LYS  50          HE2       LYS  50 -15.644  -4.957  -4.847
  371   2HE   LYS  50          HE1       LYS  50 -16.855  -5.743  -5.859
  372   1HZ   LYS  50          HZ1       LYS  50 -14.865  -3.961  -6.645
  373   2HZ   LYS  50          HZ2       LYS  50 -16.344  -3.172  -6.869
  374   3HZ   LYS  50          HZ3       LYS  50 -16.065  -4.668  -7.607
  375    H    ARG  51           HN       ARG  51 -15.186  -5.236  -1.994
  376    HA   ARG  51           HA       ARG  51 -16.945  -7.082  -2.891
  377   1HB   ARG  51          HB2       ARG  51 -14.938  -7.353  -0.662
  378   2HB   ARG  51          HB1       ARG  51 -15.826  -8.727  -1.304
  379   1HG   ARG  51          HG2       ARG  51 -14.021  -6.922  -2.900
  380   2HG   ARG  51          HG1       ARG  51 -13.591  -8.517  -2.281
  381   1HD   ARG  51          HD2       ARG  51 -15.355  -9.526  -3.625
  382   2HD   ARG  51          HD1       ARG  51 -15.830  -7.935  -4.218
  383    HE   ARG  51           HE       ARG  51 -13.123  -8.313  -4.800
  384   1HH1  ARG  51          HH11      ARG  51 -16.227  -9.620  -5.698
  385   2HH1  ARG  51          HH12      ARG  51 -15.722 -10.059  -7.296
  386   1HH2  ARG  51          HH21      ARG  51 -12.451  -8.887  -6.900
  387   2HH2  ARG  51          HH22      ARG  51 -13.575  -9.643  -7.979
  388    H    VAL  52           HN       VAL  52 -16.862  -5.842   0.438
  389    HA   VAL  52           HA       VAL  52 -19.143  -7.504   1.149
  390    HB   VAL  52           HB       VAL  52 -18.908  -6.547   3.403
  391   1HG1  VAL  52          HG11      VAL  52 -16.140  -7.212   3.113
  392   2HG1  VAL  52          HG12      VAL  52 -17.110  -8.246   2.065
  393   3HG1  VAL  52          HG13      VAL  52 -17.452  -8.175   3.793
  394   1HG2  VAL  52          HG21      VAL  52 -16.383  -5.181   2.598
  395   2HG2  VAL  52          HG22      VAL  52 -17.441  -4.873   3.974
  396   3HG2  VAL  52          HG23      VAL  52 -17.921  -4.352   2.359
  397    H    GLY  53           HN       GLY  53 -18.420  -4.158   0.402
  398   1HA   GLY  53          HA2       GLY  53 -19.756  -2.262   0.389
  399   2HA   GLY  53          HA1       GLY  53 -20.816  -3.337  -0.507
  400    H    SER  54           HN       SER  54 -19.919  -3.218   2.940
  401    HA   SER  54           HA       SER  54 -22.539  -3.813   3.811
  402   1HB   SER  54          HB2       SER  54 -20.587  -4.321   5.188
  403   2HB   SER  54          HB1       SER  54 -20.219  -2.603   5.336
  404    HG   SER  54           HG       SER  54 -21.976  -2.324   6.606
  405    H    GLU  55           HN       GLU  55 -20.997  -0.980   5.166
  406    HA   GLU  55           HA       GLU  55 -23.124   0.736   4.099
  407   1HB   GLU  55          HB2       GLU  55 -23.747  -0.119   6.381
  408   2HB   GLU  55          HB1       GLU  55 -22.323   0.691   7.016
  409   1HG   GLU  55          HG2       GLU  55 -24.226   2.063   7.433
  410   2HG   GLU  55          HG1       GLU  55 -23.241   2.842   6.197
  411    H    LEU  56           HN       LEU  56 -20.105   0.274   3.853
  412    HA   LEU  56           HA       LEU  56 -18.964   2.743   4.811
  413   1HB   LEU  56          HB2       LEU  56 -17.837   0.583   3.038
  414   2HB   LEU  56          HB1       LEU  56 -16.934   1.983   3.582
  415    HG   LEU  56           HG       LEU  56 -17.363   1.200   5.952
  416   1HD1  LEU  56          HD11      LEU  56 -18.183  -1.333   4.540
  417   2HD1  LEU  56          HD12      LEU  56 -19.250  -0.278   5.466
  418   3HD1  LEU  56          HD13      LEU  56 -17.940  -1.138   6.276
  419   1HD2  LEU  56          HD21      LEU  56 -15.428  -0.026   5.963
  420   2HD2  LEU  56          HD22      LEU  56 -15.300   0.769   4.394
  421   3HD2  LEU  56          HD23      LEU  56 -15.845  -0.906   4.493
  422    H    MET  57           HN       MET  57 -18.927   4.590   3.843
  423    HA   MET  57           HA       MET  57 -20.011   4.869   1.192
  424   1HB   MET  57          HB2       MET  57 -20.502   6.500   3.004
  425   2HB   MET  57          HB1       MET  57 -18.805   6.960   3.019
  426   1HG   MET  57          HG2       MET  57 -20.112   8.573   1.784
  427   2HG   MET  57          HG1       MET  57 -18.994   7.735   0.710
  428   1HE   MET  57          HE1       MET  57 -20.278   8.903  -1.052
  429   2HE   MET  57          HE2       MET  57 -21.880   9.350  -0.466
  430   3HE   MET  57          HE3       MET  57 -21.717   8.241  -1.828
  431    H    GLU  58           HN       GLU  58 -18.909   5.778  -0.562
  432    HA   GLU  58           HA       GLU  58 -16.385   4.745  -1.099
  433   1HB   GLU  58          HB2       GLU  58 -17.948   6.957  -2.412
  434   2HB   GLU  58          HB1       GLU  58 -16.383   6.437  -3.018
  435   1HG   GLU  58          HG2       GLU  58 -18.117   5.371  -4.278
  436   2HG   GLU  58          HG1       GLU  58 -17.282   4.162  -3.307
  437    H    SER  59           HN       SER  59 -17.140   7.371   0.854
  438    HA   SER  59           HA       SER  59 -14.812   8.970   0.312
  439   1HB   SER  59          HB2       SER  59 -16.711   9.039   2.670
  440   2HB   SER  59          HB1       SER  59 -15.505  10.266   2.283
  441    HG   SER  59           HG       SER  59 -16.893  11.101   0.964
  442    H    GLU  60           HN       GLU  60 -15.541   6.245   2.271
  443    HA   GLU  60           HA       GLU  60 -13.396   6.573   4.149
  444   1HB   GLU  60          HB2       GLU  60 -15.532   5.295   4.582
  445   2HB   GLU  60          HB1       GLU  60 -14.943   4.062   3.479
  446   1HG   GLU  60          HG2       GLU  60 -14.491   3.313   5.672
  447   2HG   GLU  60          HG1       GLU  60 -12.951   3.803   4.968
  448    H    ILE  61           HN       ILE  61 -13.725   5.480   0.954
  449    HA   ILE  61           HA       ILE  61 -11.397   3.735   1.021
  450    HB   ILE  61           HB       ILE  61 -12.987   4.568  -1.397
  451   1HG1  ILE  61          HG12      ILE  61 -14.505   3.572   0.246
  452   2HG1  ILE  61          HG11      ILE  61 -14.252   2.473  -1.104
  453   1HG2  ILE  61          HG21      ILE  61 -11.339   3.463  -2.419
  454   2HG2  ILE  61          HG22      ILE  61 -12.056   2.001  -1.741
  455   3HG2  ILE  61          HG23      ILE  61 -10.729   2.803  -0.902
  456   1HD1  ILE  61          HD11      ILE  61 -14.180   1.689   1.432
  457   2HD1  ILE  61          HD12      ILE  61 -12.486   2.142   1.243
  458   3HD1  ILE  61          HD13      ILE  61 -13.200   0.933   0.175
  459    H    LYS  62           HN       LYS  62 -12.363   6.808  -0.517
  460    HA   LYS  62           HA       LYS  62  -9.775   7.177  -1.691
  461   1HB   LYS  62          HB2       LYS  62 -10.610   9.269  -2.526
  462   2HB   LYS  62          HB1       LYS  62 -11.852   8.045  -2.726
  463   1HG   LYS  62          HG2       LYS  62 -13.096   9.800  -1.964
  464   2HG   LYS  62          HG1       LYS  62 -12.724   8.991  -0.443
  465   1HD   LYS  62          HD2       LYS  62 -12.379  11.366  -0.186
  466   2HD   LYS  62          HD1       LYS  62 -10.820  10.546  -0.130
  467   1HE   LYS  62          HE2       LYS  62 -10.453  11.121  -2.493
  468   2HE   LYS  62          HE1       LYS  62 -11.994  11.979  -2.511
  469   1HZ   LYS  62          HZ1       LYS  62 -11.154  13.514  -0.882
  470   2HZ   LYS  62          HZ2       LYS  62 -10.081  13.459  -2.188
  471   3HZ   LYS  62          HZ3       LYS  62  -9.701  12.656  -0.748
  472    H    ASP  63           HN       ASP  63 -11.476   8.624   1.081
  473    HA   ASP  63           HA       ASP  63  -9.464  10.478   1.742
  474   1HB   ASP  63          HB2       ASP  63 -11.729  10.637   2.660
  475   2HB   ASP  63          HB1       ASP  63 -11.490   9.135   3.547
  476    H    LEU  64           HN       LEU  64  -9.826   7.091   2.331
  477    HA   LEU  64           HA       LEU  64  -7.672   7.009   4.268
  478   1HB   LEU  64          HB2       LEU  64  -9.625   5.050   3.154
  479   2HB   LEU  64          HB1       LEU  64  -8.133   4.434   3.852
  480    HG   LEU  64           HG       LEU  64  -9.996   4.429   5.462
  481   1HD1  LEU  64          HD11      LEU  64  -7.606   6.161   5.959
  482   2HD1  LEU  64          HD12      LEU  64  -7.935   4.522   6.523
  483   3HD1  LEU  64          HD13      LEU  64  -8.805   5.888   7.223
  484   1HD2  LEU  64          HD21      LEU  64 -10.095   7.308   4.709
  485   2HD2  LEU  64          HD22      LEU  64 -10.500   6.849   6.363
  486   3HD2  LEU  64          HD23      LEU  64 -11.410   6.174   5.012
  487    H    MET  65           HN       MET  65  -8.156   6.573   0.868
  488    HA   MET  65           HA       MET  65  -5.846   5.025   0.326
  489   1HB   MET  65          HB2       MET  65  -7.772   5.297  -1.234
  490   2HB   MET  65          HB1       MET  65  -7.275   6.960  -1.507
  491   1HG   MET  65          HG2       MET  65  -5.476   4.622  -2.058
  492   2HG   MET  65          HG1       MET  65  -6.603   5.260  -3.250
  493   1HE   MET  65          HE1       MET  65  -5.732   8.183  -4.515
  494   2HE   MET  65          HE2       MET  65  -5.605   8.982  -2.949
  495   3HE   MET  65          HE3       MET  65  -6.887   7.806  -3.237
  496    H    ASP  66           HN       ASP  66  -6.480   8.528   0.250
  497    HA   ASP  66           HA       ASP  66  -3.751   9.140  -0.440
  498   1HB   ASP  66          HB2       ASP  66  -4.411  11.454  -0.318
  499   2HB   ASP  66          HB1       ASP  66  -5.688  10.558  -1.135
  500    H    ALA  67           HN       ALA  67  -5.508   8.623   2.470
  501    HA   ALA  67           HA       ALA  67  -3.698  10.117   4.154
  502   1HB   ALA  67          HB1       ALA  67  -5.030   8.696   5.943
  503   2HB   ALA  67          HB2       ALA  67  -6.133   8.473   4.586
  504   3HB   ALA  67          HB3       ALA  67  -5.747  10.099   5.151
  505    H    ALA  68           HN       ALA  68  -4.005   6.860   2.987
  506    HA   ALA  68           HA       ALA  68  -2.266   5.685   4.944
  507   1HB   ALA  68          HB1       ALA  68  -3.949   4.320   3.879
  508   2HB   ALA  68          HB2       ALA  68  -2.347   3.701   3.475
  509   3HB   ALA  68          HB3       ALA  68  -3.252   4.644   2.291
  510    H    ASP  69           HN       ASP  69  -1.913   6.337   1.450
  511    HA   ASP  69           HA       ASP  69   0.957   5.965   1.635
  512   1HB   ASP  69          HB2       ASP  69  -0.131   5.064  -0.314
  513   2HB   ASP  69          HB1       ASP  69  -0.859   6.626  -0.690
  514    H    ILE  70           HN       ILE  70   2.156   7.557   2.384
  515    HA   ILE  70           HA       ILE  70   1.310  10.315   2.242
  516    HB   ILE  70           HB       ILE  70   2.392   9.429   4.268
  517   1HG1  ILE  70          HG12      ILE  70   4.025  11.270   4.586
  518   2HG1  ILE  70          HG11      ILE  70   3.975  11.587   2.855
  519   1HG2  ILE  70          HG21      ILE  70   5.061   9.370   3.846
  520   2HG2  ILE  70          HG22      ILE  70   4.469   8.694   2.329
  521   3HG2  ILE  70          HG23      ILE  70   4.026   7.943   3.862
  522   1HD1  ILE  70          HD11      ILE  70   1.354  11.742   3.447
  523   2HD1  ILE  70          HD12      ILE  70   2.455  13.119   3.461
  524   3HD1  ILE  70          HD13      ILE  70   2.060  12.291   4.966
  525    H    ASP  71           HN       ASP  71   3.281   8.196   0.424
  526    HA   ASP  71           HA       ASP  71   5.170   9.991  -0.625
  527   1HB   ASP  71          HB2       ASP  71   5.281   7.502  -0.810
  528   2HB   ASP  71          HB1       ASP  71   3.998   7.574  -2.014
  529    H    LYS  72           HN       LYS  72   1.876  10.084  -0.936
  530    HA   LYS  72           HA       LYS  72   0.395  11.049  -2.375
  531   1HB   LYS  72          HB2       LYS  72   2.763  12.875  -2.790
  532   2HB   LYS  72          HB1       LYS  72   1.087  13.268  -3.152
  533   1HG   LYS  72          HG2       LYS  72   2.046  12.526  -0.405
  534   2HG   LYS  72          HG1       LYS  72   1.984  14.179  -0.998
  535   1HD   LYS  72          HD2       LYS  72  -0.428  13.942  -1.389
  536   2HD   LYS  72          HD1       LYS  72  -0.354  12.289  -0.776
  537   1HE   LYS  72          HE2       LYS  72  -1.163  13.858   0.926
  538   2HE   LYS  72          HE1       LYS  72   0.358  13.102   1.399
  539   1HZ   LYS  72          HZ1       LYS  72   0.351  15.721   0.045
  540   2HZ   LYS  72          HZ2       LYS  72   1.527  15.051   1.059
  541   3HZ   LYS  72          HZ3       LYS  72   0.073  15.621   1.712
  542    H    SER  73           HN       SER  73   2.006   8.920  -3.531
  543    HA   SER  73           HA       SER  73   2.304   9.819  -6.311
  544   1HB   SER  73          HB2       SER  73   3.462   7.660  -6.673
  545   2HB   SER  73          HB1       SER  73   4.221   8.618  -5.402
  546    HG   SER  73           HG       SER  73   2.315   7.033  -4.360
  547    H    GLY  74           HN       GLY  74  -0.107   8.704  -4.470
  548   1HA   GLY  74          HA2       GLY  74  -2.199   7.936  -5.108
  549   2HA   GLY  74          HA1       GLY  74  -1.587   7.728  -6.742
  550    H    THR  75           HN       THR  75   0.699   6.165  -5.331
  551    HA   THR  75           HA       THR  75  -0.777   3.621  -5.173
  552    HB   THR  75           HB       THR  75   1.299   2.534  -5.932
  553    HG1  THR  75           HG1      THR  75   3.084   3.682  -6.386
  554   1HG2  THR  75          HG21      THR  75   0.273   4.747  -7.678
  555   2HG2  THR  75          HG22      THR  75  -0.131   3.031  -7.730
  556   3HG2  THR  75          HG23      THR  75   1.473   3.574  -8.222
  557    H    ILE  76           HN       ILE  76  -0.690   2.527  -3.307
  558    HA   ILE  76           HA       ILE  76   1.120   3.518  -1.228
  559    HB   ILE  76           HB       ILE  76  -1.210   3.496  -0.587
  560   1HG1  ILE  76          HG12      ILE  76   0.326   1.258   0.756
  561   2HG1  ILE  76          HG11      ILE  76   0.453   2.970   1.145
  562   1HG2  ILE  76          HG21      ILE  76  -2.251   1.118  -0.328
  563   2HG2  ILE  76          HG22      ILE  76  -1.098   0.690  -1.591
  564   3HG2  ILE  76          HG23      ILE  76  -2.302   1.943  -1.885
  565   1HD1  ILE  76          HD11      ILE  76  -1.995   2.895   1.724
  566   2HD1  ILE  76          HD12      ILE  76  -0.917   1.997   2.793
  567   3HD1  ILE  76          HD13      ILE  76  -1.883   1.140   1.591
  568    H    ASP  77           HN       ASP  77   2.576   2.257  -0.196
  569    HA   ASP  77           HA       ASP  77   2.959  -0.468  -1.249
  570   1HB   ASP  77          HB2       ASP  77   5.037   1.471  -0.208
  571   2HB   ASP  77          HB1       ASP  77   5.362  -0.171  -0.754
  572    H    TYR  78           HN       TYR  78   3.713  -2.073   0.207
  573    HA   TYR  78           HA       TYR  78   2.408  -2.201   2.646
  574   1HB   TYR  78          HB2       TYR  78   3.365  -4.138   1.367
  575   2HB   TYR  78          HB1       TYR  78   4.957  -3.675   1.958
  576    HD1  TYR  78           HD1      TYR  78   1.565  -4.159   3.458
  577    HD2  TYR  78           HD2      TYR  78   5.729  -5.002   3.676
  578    HE1  TYR  78           HE1      TYR  78   1.180  -5.498   5.483
  579    HE2  TYR  78           HE2      TYR  78   5.356  -6.342   5.705
  580    HH   TYR  78           HH       TYR  78   3.858  -7.157   7.126
  581    H    GLY  79           HN       GLY  79   5.653  -1.050   1.916
  582   1HA   GLY  79          HA2       GLY  79   6.543  -0.894   4.609
  583   2HA   GLY  79          HA1       GLY  79   7.276  -0.094   3.230
  584    H    GLU  80           HN       GLU  80   4.622   1.258   2.653
  585    HA   GLU  80           HA       GLU  80   5.097   3.504   4.437
  586   1HB   GLU  80          HB2       GLU  80   3.242   3.257   2.063
  587   2HB   GLU  80          HB1       GLU  80   3.583   4.740   2.944
  588   1HG   GLU  80          HG2       GLU  80   5.951   4.548   2.296
  589   2HG   GLU  80          HG1       GLU  80   5.551   3.113   1.351
  590    H    PHE  81           HN       PHE  81   2.394   1.407   3.503
  591    HA   PHE  81           HA       PHE  81   0.337   2.469   4.943
  592   1HB   PHE  81          HB2       PHE  81   0.099   0.520   3.475
  593   2HB   PHE  81          HB1       PHE  81   0.976  -0.472   4.635
  594    HD1  PHE  81           HD1      PHE  81  -0.439  -1.985   5.605
  595    HD2  PHE  81           HD2      PHE  81  -1.803   1.994   4.974
  596    HE1  PHE  81           HE1      PHE  81  -2.554  -2.536   6.738
  597    HE2  PHE  81           HE2      PHE  81  -3.921   1.454   6.107
  598    HZ   PHE  81           HZ       PHE  81  -4.298  -0.814   6.991
  599    H    ILE  82           HN       ILE  82   2.962   0.451   6.180
  600    HA   ILE  82           HA       ILE  82   1.914   0.077   8.776
  601    HB   ILE  82           HB       ILE  82   4.793   0.063   7.858
  602   1HG1  ILE  82          HG12      ILE  82   2.834  -2.200   8.311
  603   2HG1  ILE  82          HG11      ILE  82   3.355  -1.602   6.740
  604   1HG2  ILE  82          HG21      ILE  82   3.711   0.003  10.484
  605   2HG2  ILE  82          HG22      ILE  82   5.392  -0.175   9.982
  606   3HG2  ILE  82          HG23      ILE  82   4.357  -1.597  10.118
  607   1HD1  ILE  82          HD11      ILE  82   4.979  -3.101   6.792
  608   2HD1  ILE  82          HD12      ILE  82   4.590  -3.535   8.457
  609   3HD1  ILE  82          HD13      ILE  82   5.702  -2.206   8.129
  610    H    ALA  83           HN       ALA  83   4.063   2.538   7.407
  611    HA   ALA  83           HA       ALA  83   4.778   3.857   9.747
  612   1HB   ALA  83          HB1       ALA  83   5.964   4.557   7.898
  613   2HB   ALA  83          HB2       ALA  83   4.866   5.913   8.151
  614   3HB   ALA  83          HB3       ALA  83   4.519   4.719   6.900
  615    H    ALA  84           HN       ALA  84   1.774   3.863   8.010
  616    HA   ALA  84           HA       ALA  84   0.746   6.219   9.328
  617   1HB   ALA  84          HB1       ALA  84  -1.203   5.928   8.042
  618   2HB   ALA  84          HB2       ALA  84  -0.867   4.218   7.770
  619   3HB   ALA  84          HB3       ALA  84   0.127   5.447   6.988
  620    H    THR  85           HN       THR  85  -0.040   2.739   9.381
  621    HA   THR  85           HA       THR  85  -1.401   3.158  11.953
  622    HB   THR  85           HB       THR  85  -2.461   0.965  11.542
  623    HG1  THR  85           HG1      THR  85  -0.544   0.796   9.671
  624   1HG2  THR  85          HG21      THR  85  -3.859   2.614  10.751
  625   2HG2  THR  85          HG22      THR  85  -3.644   1.588   9.333
  626   3HG2  THR  85          HG23      THR  85  -2.742   3.096   9.474
  627    H    VAL  86           HN       VAL  86  -0.117   2.810  13.644
  628    HA   VAL  86           HA       VAL  86   1.431   0.332  13.739
  629    HB   VAL  86           HB       VAL  86   3.044   2.010  13.003
  630   1HG1  VAL  86          HG11      VAL  86   2.686   3.503  15.572
  631   2HG1  VAL  86          HG12      VAL  86   1.709   3.899  14.158
  632   3HG1  VAL  86          HG13      VAL  86   3.467   4.022  14.078
  633   1HG2  VAL  86          HG21      VAL  86   4.733   1.450  14.484
  634   2HG2  VAL  86          HG22      VAL  86   3.538   0.188  14.784
  635   3HG2  VAL  86          HG23      VAL  86   3.675   1.555  15.891
  636    H    HIS  87           HN       HIS  87  -0.044   3.053  15.372
  637    HA   HIS  87           HA       HIS  87  -0.825   3.356  17.486
  638   1HB   HIS  87          HB2       HIS  87  -0.862   0.330  17.507
  639   2HB   HIS  87          HB1       HIS  87  -1.704   1.371  18.651
  640    HD1  HIS  87           HD1      HIS  87  -1.607   1.097  14.846
  641    HD2  HIS  87           HD2      HIS  87  -4.299   1.573  17.974
  642    HE1  HIS  87           HE1      HIS  87  -3.876   1.220  13.768
  643    HE2  HIS  87           HE2      HIS  87  -5.480   1.596  15.673