HEADER    TRANSCRIPTION/DNA                       12-SEP-97   1IF1                                                             .
COMPND   2 MOLECULE: DNA (26-MER);                                                                                             .
SOURCE   2 MOL_ID: 2;                                                                                                          .
AUTHOR    A.AGGARWAL C.R.ESCALANTE,J.YIE,D.THANOS                                                                              .
flagSetFrame DONE
==== Generated by WOLFc v1.01 (last modified 28.04.2002)                                                                       .
==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009     .
==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637                                                         .
  209
  #  RESIDUE AA STRUCTURE BP1 BP2  ACC   N-H-->O  O-->H-N  N-H-->O  O-->H-N    TCO  KAPPA ALPHA  PHI   PSI    X-CA   Y-CA   Z-CA   X-CB   Y-CB   Z-CB  N-H.O=C  C=O.H-N  N-H.O=C  C=O.H-N  N-H.O=C  C=O.H-N       X1       Y1       Z1       X2       Y2       Z2       X3       Y3       Z3
    1    7 A R              0   0  141    0, 0.0   0, 0.0   0, 0.0   0, 0.0   0.000 360.0 360.0 360.0  80.4   83.9   34.9   11.3   84.7   33.9   10.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5842  -0.7000   0.4107  -0.7847   0.6163  -0.0657  -0.2071  -0.3607  -0.9094
    2    8 A M        -     0   0  166    2,-0.0   3,-0.1   0, 0.0   0, 0.0   0.000 360.0-127.5  63.9 154.0   81.5   34.8   14.3   80.8   33.4   14.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0055  -0.0681   0.9977  -0.2178   0.9738   0.0653  -0.9760  -0.2169  -0.0202
    3    9 A R        -     0   0   56    1,-0.2   2,-0.0  53,-0.0  53,-0.0   0.000  51.8 -62.3-112.2-168.0   81.9   35.3   18.0   81.3   36.6   18.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0431  -0.4451   0.8944   0.8362  -0.5060  -0.2115   0.5468   0.7388   0.3940
    4   10 A P        -     0   0   66    0, 0.0  -1,-0.2   0, 0.0   2,-0.2   0.000  52.3-125.3 -80.4 166.8   80.8   32.8   20.7   81.4   32.7   22.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8442  -0.4826   0.2331  -0.0221  -0.4033  -0.9148   0.5355  -0.7774   0.3298
    5   11 A W    >>  -     0   0  163   -3,-0.1   3,-3.8   4,-0.0   4,-0.8   0.000  40.3 -78.9-104.3 167.4   77.2   31.9   21.0   76.6   30.9   20.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7671   0.0029   0.6415   0.1160   0.9841   0.1343  -0.6309   0.1774  -0.7553
    6   12 A L  H 3>>S+     0   0    5    1,-0.3   4,-1.4  -2,-0.2   5,-0.5   0.000 125.6  60.7 -27.8 -64.0   75.1   32.1   24.1   73.5   31.9   24.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1050  -0.3978   0.9114   0.7233   0.6595   0.2045  -0.6825   0.6378   0.3570
    7   13 A E  H 3>5S+     0   0   34    1,-0.2   4,-0.6   2,-0.2  -1,-0.3   0.000 116.6  38.6 -46.2 -16.5   76.4   28.9   25.9   76.4   27.4   25.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8091  -0.1655   0.5639  -0.3602   0.6186   0.6983  -0.4644  -0.7681   0.4409
    8   14 A M  H <>5S+     0   0   73   -3,-3.8   4,-2.7   2,-0.2   5,-0.4   0.000 108.2  54.6 -93.6 -72.7   79.7   30.7   25.7   80.4   30.9   24.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5061   0.7509   0.4243   0.0118  -0.4979   0.8672   0.8624  -0.4339  -0.2608
    9   15 A Q  H  X5S+     0   0    8   -4,-0.8   4,-3.8   1,-0.2   5,-0.3   0.000 119.1  38.9 -29.3 -65.1   78.9   34.4   26.4   77.9   35.2   25.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2349   0.4065   0.8829   0.9654  -0.0084   0.2607   0.1134   0.9136  -0.3905
   10   16 A I  H  X5S+     0   0    0   -4,-1.4   4,-2.0   2,-0.2   5,-0.4   0.000 112.3  56.5 -57.3 -47.5   77.2   33.2   29.7   75.8   32.6   30.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3617  -0.3915   0.8461   0.5452   0.8250   0.1486  -0.7562   0.4075   0.5119
   11   17 A N  H >X<S+     0   0   54   -4,-0.6   4,-1.1  -5,-0.5   3,-0.8   0.000 119.0  33.6 -44.8 -58.6   79.8   30.5   30.4   80.4   29.5   29.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8962   0.0550   0.4403  -0.4434   0.0758   0.8931   0.0157  -0.9956   0.0923
   12   18 A S  H >< S+     0   0   73   -4,-2.7   3,-2.5   1,-0.2  -2,-0.2   0.000 114.2  59.4 -61.6 -59.2   82.5   33.1   30.3   83.0   33.9   29.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1910   0.8047   0.5622   0.2569  -0.5937   0.7625   0.9474  -0.0012  -0.3201
   13   19 A N  H 3< S+     0   0   25   -4,-3.8   7,-0.2  -5,-0.4  -1,-0.2   0.000 108.7  45.3 -46.3 -15.2   80.2   35.8   31.7   79.0   36.4   31.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3548   0.2208   0.9085   0.9164   0.2748   0.2912  -0.1854   0.9358  -0.2998
   14   20 A Q  H << S+     0   0   16   -4,-2.0  -1,-0.3  -3,-0.8   8,-0.3   0.000 106.4  60.7 -99.3 -20.9   79.7   33.7   34.9   78.9   32.5   35.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4663  -0.2664   0.8436   0.0455   0.9595   0.2779  -0.8834  -0.0912   0.4596
   15   21 A I  S << S+     0   0  115   -3,-2.5  -2,-0.2  -4,-1.1  -1,-0.2   0.000 110.3  41.1 -83.0   0.6   83.4   33.0   35.0   84.1   32.1   34.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8622   0.4315   0.2654  -0.3037   0.0212   0.9525   0.4054  -0.9019   0.1493
   16   22 A P  S    S-     0   0   77    0, 0.0   2,-0.3   0, 0.0  -3,-0.1   0.000 110.9 -66.5-111.9-118.9   84.3   36.7   35.4   84.0   37.6   34.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.0454   0.7796   0.6246   0.6848  -0.4795   0.5488   0.7274   0.4028  -0.5556
   17   23 A G  S    S+     0   0   70    1,-0.0  -3,-0.1  -2,-0.0  -2,-0.1   0.000  73.8 121.7-145.7  91.5   82.5   39.4   37.4   83.6   40.3   38.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7360   0.6484   0.1946  -0.6231  -0.7612   0.1800   0.2649   0.0112   0.9642
   18   24 A L  S    S-     0   0   44    2,-0.4  -4,-0.1  -2,-0.3   3,-0.1   0.000  79.9 -86.5-111.7 -75.6   79.1   40.3   36.4   78.2   39.6   35.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8432   0.4165   0.3398   0.4983   0.8428   0.2033  -0.2017   0.3408  -0.9183
   19   25 A I  S    S+     0   0   99    1,-0.4   2,-0.3  26,-0.0  11,-0.1   0.000  94.2  70.7 179.1  -2.0   76.7   39.7   39.3   75.7   40.9   39.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6421  -0.4286   0.6357   0.7651  -0.3057   0.5667  -0.0485   0.8502   0.5242
   20   26 A W        -     0   0   12   -7,-0.2  -2,-0.4   9,-0.1  -1,-0.4   0.000  66.4-120.5-125.0 173.6   75.4   36.1   39.3   74.4   35.7   38.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2087  -0.9650   0.1586   0.1694   0.1954   0.9660  -0.9632  -0.1748   0.2042
   21   27 A I        -     0   0   79   -2,-0.3   8,-2.3  -3,-0.1   2,-0.9   0.000  22.5-128.7-121.7 162.3   77.0   32.7   40.1   76.8   32.3   41.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2647  -0.9503  -0.1640   0.6504   0.3015  -0.6972   0.7120   0.0779   0.6979
   22   28 A N        -     0   0   46   -8,-0.3   2,-7.1  -2,-0.2   6,-0.2   0.000  37.3-175.9 -97.6  56.6   78.0   29.3   39.0   79.4   28.9   38.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0862  -0.9249   0.3702  -0.9792   0.0100  -0.2028   0.1839  -0.3800  -0.9065
   23   29 A K  S    S+     0   0   99   -2,-0.9   2,-0.2   3,-0.1   5,-0.1   0.000  71.0   8.2 -54.3  45.3   76.2   28.1   42.2   74.9   28.5   42.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1395  -0.8971   0.4193   0.9635  -0.0253   0.2664  -0.2284   0.4412   0.8679
   24   30 A E  S    S-     0   0   89   -2,-7.1   2,-0.2   3,-0.1  78,-0.0   0.000  89.4 -94.6 160.3 177.1   77.6   24.7   41.0   76.3   24.0   40.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5162  -0.6172  -0.5937   0.7598   0.0102   0.6500  -0.3952  -0.7867   0.4743
   25   31 A E  S    S+     0   0  160   -2,-0.2   3,-0.1   3,-0.0  -2,-0.1   0.000 127.1  25.3-117.2  59.8   79.9   23.1   38.4   81.0   22.3   38.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.0198  -0.4651  -0.8851  -0.2777   0.8478  -0.4517   0.9605   0.2547  -0.1124
   26   32 A M  S    S+     0   0  100    1,-0.3  77,-1.5  -2,-0.2   2,-0.2   0.000 119.6  60.1-177.2 -57.3   76.8   22.5   36.2   76.0   21.4   36.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8374   0.3111  -0.4495   0.5349   0.2966  -0.7911  -0.1128  -0.9029  -0.4148
   27   33 A I  E     +A  102   0A  24   75,-0.2  -1,-0.3  -5,-0.1  75,-0.3   0.000  52.9 175.6 -99.8 154.9   74.4   25.2   37.3   73.4   24.8   38.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2609   0.9455   0.1946   0.0912   0.2249  -0.9701  -0.9610  -0.2354  -0.1449
   28   34 A F  E     -A  101   0A   0   73,-2.7  73,-2.0  -6,-0.2  -6,-0.2   0.000  19.9-121.7-148.5 174.3   74.1   29.0   37.6   74.9   29.6   36.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3907   0.8966   0.2086   0.0038  -0.2251   0.9743   0.9205   0.3814   0.0845
   29   35 A Q        -     0   0   55   -8,-2.3  71,-0.2  -2,-0.3  -9,-0.1   0.000  10.4-160.2-109.9 179.9   71.9   32.1   38.4   72.1   32.8   39.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4899   0.8097  -0.3230  -0.6010  -0.5821  -0.5477  -0.6315  -0.0741   0.7718
   30   36 A I        -     0   0    0   69,-0.5   2,-1.6  -2,-0.2  69,-1.5   0.000  29.9-116.5-164.1 115.8   70.7   35.2   36.6   70.2   34.9   35.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4402   0.8914  -0.1080   0.7595   0.4338   0.4847   0.4789   0.1314  -0.8680
   31   37 A P        +     0   0   30    0, 0.0   2,-0.2   0, 0.0  67,-0.2   0.000  38.6 170.6 -56.8  84.5   69.5   38.5   38.2   70.5   39.6   38.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7868   0.6140  -0.0626  -0.5676  -0.6801   0.4640   0.2423   0.4006   0.8836
   32   38 A W        +     0   0   46   -2,-1.6  66,-0.1  65,-0.5   3,-0.1   0.000   7.3 168.5 -87.6  35.0   65.9   38.5   37.0   65.1   37.2   36.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8503   0.5236   0.0537   0.4360   0.7578  -0.4855  -0.2949  -0.3894  -0.8726
   33   39 A K        -     0   0   57   -2,-0.2  65,-0.0  64,-0.1  60,-0.0   0.000  44.6-116.1 -53.6 124.4   64.8   41.4   39.2   65.6   42.5   39.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7921   0.6088  -0.0447  -0.6035  -0.7701   0.2067   0.0914   0.1907   0.9774
   34   40 A H    >   -     0   0   86    1,-0.1   3,-0.6   2,-0.1  62,-0.1   0.000  25.6-128.1 -59.6 147.3   61.5   42.3   37.8   60.1   42.1   38.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2924   0.8710  -0.3947   0.5852  -0.1635  -0.7942  -0.7563  -0.4632  -0.4620
   35   41 A A  T 3  S+     0   0   38    1,-0.2  -1,-0.1  -3,-0.1  -2,-0.1   0.000 100.6  56.8 -94.9  32.5   62.0   45.8   36.6   62.6   46.1   35.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2442   0.9676   0.0647   0.2373  -0.0050   0.9714   0.9402   0.2526  -0.2284
   36   42 A A  T 3  S+     0   0   69    3,-0.0  -1,-0.2   0, 0.0   4,-0.1   0.000  77.0 110.0-127.1 -14.4   59.1   47.6   38.3   57.7   47.2   37.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3435   0.4303   0.8348   0.6843   0.7234  -0.0913  -0.6432   0.5399  -0.5429
   37   43 A K  S X  S-     0   0   84   -3,-0.6   3,-0.7   1,-0.1  -4,-0.0   0.000  83.7-120.7 -55.9 147.5   60.3   46.5   41.6   61.3   45.4   41.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4716   0.5456   0.6928  -0.8718   0.4068   0.2731  -0.1328  -0.7327   0.6675
   38   44 A H  T 3  S+     0   0  189    1,-0.3   2,-0.9   3,-0.0  -1,-0.1   0.000 104.4  66.5 -71.1 -33.6   61.5   49.8   43.0   61.0   50.5   44.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8275   0.5611   0.0230   0.0067   0.0312  -0.9995  -0.5615   0.8272   0.0221
   39   45 A G  T 3  S+     0   0   50    1,-0.1   2,-1.0   2,-0.0  -1,-0.3   0.000  72.4 135.6 -77.1  37.0   65.1   48.8   43.6   65.5   47.8   44.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8394  -0.1469  -0.5232  -0.0013   0.9623  -0.2721   0.5435   0.2291   0.8076
   40   46 A W    <   +     0   0   71   -2,-0.9   2,-0.7  -3,-0.7   3,-0.1   0.000  27.2 176.3 -97.3  98.4   65.7   48.5   39.8   64.6   48.0   38.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5704   0.2108  -0.7939   0.8009  -0.3574   0.4805  -0.1824  -0.9099  -0.3727
   41   47 A D    >>  -     0   0   66   -2,-1.0   3,-4.9   1,-0.2   4,-2.1   0.000  26.5-146.4 -98.7 114.6   68.9   50.0   38.5   70.1   50.3   39.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5825   0.0697  -0.8098  -0.7549   0.4157  -0.5073   0.3013   0.9068   0.2948
   42   48 A I  T 34 S+     0   0   42   -2,-0.7   4,-0.4   1,-0.3   3,-0.2   0.000 102.3  55.2 -40.6 -45.1   69.4   49.4   34.8   69.4   50.4   33.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7605  -0.4486  -0.4694  -0.3485  -0.8920   0.2877  -0.5478  -0.0552  -0.8348
   43   49 A N  T 34 S+     0   0  107    1,-0.2  -1,-0.3   2,-0.1   4,-0.0   0.000 114.8  36.0 -75.1   6.7   73.1   49.3   35.6   73.9   50.5   35.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6697  -0.5993   0.4385  -0.1933  -0.7109  -0.6763   0.7170   0.3682  -0.5919
   44   50 A K  T <4 S+     0   0  135   -3,-4.9  -1,-0.2   3,-0.0  -2,-0.2   0.000 129.6  22.0-129.2 -16.6   72.7   46.6   38.2   72.4   47.1   39.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1548  -0.9425   0.2963   0.7139  -0.3140  -0.6259   0.6829   0.1146   0.7215
   45   51 A D  S  < S+     0   0   16   -4,-2.1   2,-2.5  -3,-0.2   4,-0.4   0.000 115.3  55.0-112.9 -57.6   70.1   44.3   36.9   68.6   44.7   37.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3097  -0.6516  -0.6924   0.7794  -0.5911   0.2077  -0.5447  -0.4753   0.6910
   46   52 A A  S    S+     0   0    2   -5,-0.4  -1,-0.2  -4,-0.4 -14,-0.1   0.000  82.7 107.1 -79.8  63.9   69.7   44.7   33.2   68.8   45.7   32.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5822  -0.0202  -0.8128   0.1491  -0.9801   0.1312  -0.7993  -0.1976  -0.5675
   47   53 A C  S >> S+     0   0   32   -2,-2.5   4,-3.0  -3,-0.2   3,-1.4   0.000  74.4  37.5-106.0 -76.3   73.4   44.0   32.7   74.3   43.8   33.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6926  -0.4051  -0.5969  -0.2768   0.6149  -0.7384   0.6661   0.6766   0.3137
   48   54 A L  H 3> S+     0   0    4   -3,-0.3   4,-2.3   1,-0.3   5,-0.5   0.000 117.5  58.6 -38.0 -61.3   74.2   40.6   31.2   73.7   39.3   31.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2782  -0.3220  -0.9049   0.7641   0.4967  -0.4117   0.5820  -0.8060   0.1079
   49   55 A F  H 3> S+     0   0    8   -4,-0.4   4,-1.2   1,-0.3  -1,-0.3   0.000 112.7  39.6 -34.6 -43.6   71.0   41.3   29.3   69.8   42.0   29.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1563   0.5724  -0.8049   0.3346  -0.7361  -0.5884  -0.9293  -0.3613  -0.0765
   50   56 A R  H X>>S+     0   0   81   -3,-1.4   4,-2.7   2,-0.2   3,-0.5   0.000 109.2  56.0 -76.0 -54.9   72.9   44.3   28.1   73.2   45.6   28.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7453   0.2089  -0.6331  -0.5559  -0.3296  -0.7631  -0.3681   0.9207  -0.1296
   51   57 A S  H 3X5S+     0   0   38   -4,-3.0   4,-3.6   1,-0.3   3,-0.3   0.000 112.2  47.7 -36.6 -63.6   76.3   42.8   27.6   76.9   41.7   28.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3467  -0.5060  -0.7897   0.1526   0.8612  -0.4848   0.9255   0.0476   0.3758
   52   58 A W  H 3X5S+     0   0   21   -4,-2.3   4,-2.7   1,-0.2   6,-0.4   0.000 107.7  52.7 -50.8 -40.0   74.6   40.3   25.3   73.6   39.3   25.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4404   0.0325  -0.8972   0.8933   0.1165  -0.4342   0.0904  -0.9927  -0.0803
   53   59 A A  H <<>S+     0   0    0   -4,-1.2   5,-3.6  -3,-0.5   6,-1.0   0.000 117.5  37.0 -69.8 -39.6   72.6   42.8   23.4   71.5   43.7   23.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2096   0.5683  -0.7957   0.2017  -0.8214  -0.5335  -0.9568  -0.0486  -0.2868
   54   60 A I  H  <5S+     0   0   62   -4,-2.7   3,-0.3  -3,-0.3  -2,-0.2   0.000 118.8  54.0 -76.9 -26.5   75.7   44.9   22.6   76.5   45.9   23.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8395  -0.1382  -0.5254  -0.5409  -0.1206  -0.8324   0.0517   0.9830  -0.1760
   55   61 A H  H  <<S+     0   0   59   -4,-3.6  -2,-0.2  -5,-0.5  -3,-0.2   0.000 111.8  40.2 -64.7 -70.6   77.6   41.7   22.3   77.7   40.5   23.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1396  -0.6301  -0.7638   0.5339   0.6976  -0.4779   0.8339  -0.3411   0.4338
   56   62 A T  T  <5S-     0   0   26   -4,-2.7  -1,-0.3   1,-0.1  -2,-0.2   0.000 122.3-113.6 -55.0   0.3   75.3   40.1   19.8   74.1   39.4   20.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3676   0.2689  -0.8903   0.9012  -0.1334  -0.4124  -0.2296  -0.9539  -0.1933
   57   63 A G  T   5S+     0   0   49   -3,-0.3  -3,-0.2   2,-0.2  -1,-0.1   0.000  80.2 127.2  78.5  17.7   75.2   43.5   18.3   75.7   43.0   16.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6117   0.6806  -0.4033   0.2036   0.6281   0.7510   0.7645   0.3772  -0.5228
   58   64 A R  S   <S+     0   0  130   -5,-3.6   2,-0.3  -6,-0.4  -4,-0.2   0.000  84.0  13.4 -72.1 -40.4   71.6   44.4   19.0   70.6   43.7   20.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5460   0.8358   0.0571   0.1659   0.1746  -0.9706  -0.8212  -0.5205  -0.2340
   59   65 A Y        -     0   0   13   -6,-1.0   2,-0.4  -9,-0.2  -2,-0.2   0.000  67.2-158.0-130.9 156.8   72.6   47.6   20.7   71.9   47.8   22.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7131   0.6678   0.2134  -0.0023   0.3066  -0.9518  -0.7011   0.6782   0.2201
   60   66 A K        -     0   0  146   -2,-0.3  -6,-0.0  -3,-0.1  -5,-0.0   0.000  42.1 -92.6-140.0 115.2   75.9   49.4   20.7   76.5   49.7   19.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6042   0.7007   0.3796   0.1068  -0.5432   0.8328   0.7897  -0.4626  -0.4030
   61   67 A A  S    S+     0   0   55   -2,-0.4   3,-0.1   1,-0.2  -1,-0.0   0.000 110.8  39.0 -24.0 150.4   76.5   51.9   23.6   77.8   51.9   24.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0603   0.9972   0.0432  -0.9941  -0.0639   0.0875   0.0900  -0.0377   0.9952
   62   68 A G  S    S+     0   0   78    1,-0.3   2,-0.4  -3,-0.0  -1,-0.2   0.000  84.5 139.7  65.3  51.0   75.6   55.5   22.8   76.9   56.0   22.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4980   0.4533  -0.7393  -0.7535   0.1959   0.6276   0.4293   0.8696   0.2440
   63   69 A E        -     0   0   74   -4,-0.0   2,-4.2   0, 0.0  -1,-0.3   0.000  65.4-111.1-135.8 128.3   72.5   54.5   21.0   72.5   53.0   20.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9834   0.0756  -0.1650   0.1182   0.9566  -0.2663   0.1377  -0.2814  -0.9497
   64   70 A K  S    S+     0   0  218   -2,-0.4  -3,-0.0   1,-0.2  -2,-0.0   0.000 101.2  49.7 -44.8  30.0   69.2   56.3   21.3   68.7   57.2   20.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9239  -0.0879   0.3725   0.3634   0.1037   0.9258  -0.1200   0.9907  -0.0639
   65   71 A E        -     0   0   72   -2,-4.2  -1,-0.2   1,-0.0   2,-0.0   0.000  49.6-178.1-169.0  47.8   67.4   53.6   23.1   66.6   53.0   22.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3043  -0.7440   0.5949  -0.0815   0.6425   0.7619  -0.9491   0.1834  -0.2561
   66   72 A P        +     0   0   60    0, 0.0   5,-0.1   0, 0.0  -2,-0.1   0.000  28.6 165.2 -24.6 -21.7   68.8   51.7   26.3   69.0   52.6   27.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2288  -0.8341   0.5019   0.4835  -0.5448  -0.6851   0.8449   0.0859   0.5280
   67   73 A D     >  +     0   0   64    1,-0.2   4,-1.4   3,-0.1  -2,-0.0   0.000   9.9 171.3  -4.3  89.6   65.6   49.6   26.2   65.0   49.6   24.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1902  -0.9612   0.1998  -0.2092   0.2386   0.9483  -0.9592   0.1386  -0.2465
   68   74 A P  H  >  +     0   0   18    0, 0.0   4,-1.8   0, 0.0  -1,-0.2   0.000  64.6  79.0 -98.5   1.4   66.6   46.8   28.5   67.2   47.2   29.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2490  -0.9078   0.3374   0.1500  -0.3803  -0.9126   0.9568  -0.1767   0.2309
   69   75 A K  H >> S+     0   0  176    2,-0.2   4,-2.0   3,-0.1   3,-0.5   0.000 104.4  37.7 -66.4 -58.6   63.1   45.3   28.6   61.8   46.0   28.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3281  -0.8666  -0.3759   0.5036  -0.4971   0.7066  -0.7992   0.0426   0.5995
   70   76 A T  H 3>>S+     0   0   49    1,-0.3   4,-1.6   2,-0.3   5,-0.5   0.000 106.6  61.8 -48.9 -69.3   64.1   44.0   25.3   64.4   44.7   24.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6757  -0.6857  -0.2706  -0.5891  -0.7230   0.3609  -0.4431  -0.0844  -0.8925
   71   77 A W  H 3X5S+     0   0    5   -4,-1.4   4,-2.7   1,-0.3  -1,-0.3   0.000 109.3  48.7 -23.6 -49.4   67.6   43.2   26.2   68.5   44.1   27.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3455  -0.8032   0.4853  -0.0118  -0.5209  -0.8536   0.9383   0.2892  -0.1895
   72   78 A K  H <X5S+     0   0   41   -4,-1.8   4,-4.1  -3,-0.5  -1,-0.3   0.000 114.0  43.0 -61.0 -53.9   65.8   41.0   28.7   64.9   41.5   29.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4760  -0.8782  -0.0480   0.8719  -0.4640  -0.1567   0.1153  -0.1164   0.9865
   73   79 A A  H  X>S+     0   0   31   -4,-2.0   4,-2.5  -3,-0.4   5,-0.5   0.000 112.2  50.8 -56.5 -58.1   63.5   39.4   26.1   62.5   40.1   25.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1217  -0.6754  -0.7273   0.1373  -0.7143   0.6863  -0.9830  -0.1834   0.0058
   74   80 A N  H  X5S+     0   0   62   -4,-1.6   4,-2.9   1,-0.3  -1,-0.2   0.000 119.6  41.4 -44.5 -53.1   66.1   38.9   23.5   67.1   40.0   23.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7253  -0.6880  -0.0237  -0.6619  -0.6875  -0.2987   0.1892   0.2323  -0.9541
   75   81 A F  H  X<S+     0   0    0   -4,-2.7   4,-2.0  -5,-0.5  -2,-0.3   0.000 115.2  48.4 -66.8 -36.1   68.0   37.3   26.3   68.8   37.9   27.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0742  -0.8263   0.5583   0.1472  -0.5628  -0.8134   0.9863   0.0219   0.1634
   76   82 A R  H  X5S+     0   0  112   -4,-4.1   4,-2.1  -6,-0.4  -2,-0.2   0.000 114.5  45.6 -62.9 -67.9   65.1   35.4   27.8   63.8   36.0   28.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4059  -0.8705  -0.2785   0.8151  -0.4826   0.3206  -0.4134  -0.0969   0.9054
   77   83 A C  H  X5S+     0   0   55   -4,-2.5   4,-1.6   1,-0.2  -2,-0.2   0.000 113.2  51.3 -38.1 -53.9   64.1   34.1   24.4   63.8   34.9   23.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3904  -0.6804  -0.6202  -0.3284  -0.7322   0.5967  -0.8601  -0.0292  -0.5093
   78   84 A A  H  X<S+     0   0   16   -4,-2.9   4,-1.8  -5,-0.5  -1,-0.2   0.000 106.3  51.0 -46.9 -66.1   67.7   33.1   23.6   68.8   34.0   23.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5576  -0.7873   0.2630  -0.5003  -0.5716  -0.6503   0.6624   0.2311  -0.7127
   79   85 A M  H  < S+     0   0    4   -4,-2.0  -1,-0.3  -5,-0.2  -2,-0.2   0.000 109.8  57.0 -44.2 -34.3   68.2   31.3   26.7   68.0   31.9   28.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3468  -0.8913   0.2919   0.6513  -0.4529  -0.6089   0.6749  -0.0211   0.7376
   80   86 A N  H  < S+     0   0   90   -4,-2.1  -2,-0.2  -5,-0.2   5,-0.2   0.000 106.2  44.3 -61.3 -82.0   65.0   29.6   25.7   63.7   30.2   25.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1837  -0.8126  -0.5531   0.4127  -0.5744   0.7069  -0.8922  -0.0984   0.4409
   81   87 A S  H  < S+     0   0   92   -4,-1.6  -2,-0.2   2,-0.1  -1,-0.1   0.000  88.3 103.2 -19.3 -69.0   66.1   28.3   22.3   66.8   29.2   21.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6858  -0.6670  -0.2912  -0.6757  -0.7322   0.0856  -0.2704   0.1380  -0.9528
   82   88 A L     <  -     0   0   30   -4,-1.8   3,-0.2   1,-0.1   0, 0.0   0.000  56.4-160.8 -25.2 136.2   69.5   27.0   23.4   70.3   27.5   24.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3008  -0.9015   0.3112   0.0585  -0.3083  -0.9495   0.9519   0.3038  -0.0400
   83   89 A P  S    S+     0   0  116    0, 0.0  -1,-0.1   0, 0.0   3,-0.1   0.000  81.5  60.0-100.9 -16.6   69.5   23.3   23.8   69.6   22.5   22.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2108  -0.7608   0.6139  -0.6434   0.3648   0.6730  -0.7360  -0.5368  -0.4126
   84   90 A D  S    S+     0   0   51    1,-0.2  20,-1.0  19,-0.1   2,-0.3   0.000  96.9  64.7 -99.5  22.7   72.5   22.9   26.0   73.9   22.9   25.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3768   0.1032   0.9205  -0.7026  -0.6158   0.3566   0.6037  -0.7811  -0.1595
   85   91 A I  E     -B  103   0A  10   18,-0.3   2,-0.5  -3,-0.2  18,-0.2   0.000  60.9-176.2-145.9 103.8   71.2   25.0   28.9   71.4   26.4   28.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6649   0.2407   0.7071   0.2103  -0.8481   0.4864   0.7167   0.4721   0.5133
   86   92 A E  E     -B  102   0A 113   16,-1.4  16,-3.1  -2,-0.3   2,-0.5   0.000  25.4-132.0-100.3 126.2   68.1   23.8   30.7   67.8   22.3   30.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6213   0.2468   0.7437  -0.2722   0.8220  -0.5002  -0.7348  -0.5132  -0.4435
   87   93 A E  E     -B  101   0A  52   -2,-0.5   2,-1.4  14,-0.3  14,-0.3   0.000  19.1-130.7 -72.1 123.3   66.7   26.1   33.4   65.7   27.2   33.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3360  -0.1705   0.9263   0.9247  -0.2466   0.2900   0.1790   0.9540   0.2405
   88   94 A V        -     0   0   39   12,-1.0  12,-0.4  -2,-0.5  -1,-0.1   0.000  34.6-163.5 -70.0 103.0   66.2   23.9   36.4   67.0   23.7   37.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7910  -0.0055   0.6118  -0.5483  -0.4374  -0.7127   0.2716  -0.8992   0.3430
   89   95 A K        +     0   0  157   -2,-1.4   2,-4.6   1,-0.2  -1,-0.2   0.000  60.0  99.9 -72.2 -22.0   62.7   25.4   36.6   61.6   25.2   35.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6959   0.3867   0.6052   0.6577   0.6815   0.3209  -0.2883   0.6214  -0.7286
   90   96 A D  S    S+     0   0  142   -3,-0.1  -1,-0.2  10,-0.0   2,-0.1   0.000  73.7 140.4 -61.8  54.4   61.4   24.6   40.1   61.6   23.3   40.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0706   0.4939   0.8667  -0.6801   0.6118  -0.4040  -0.7297  -0.6179   0.2927
   91   97 A Q        -     0   0   89   -2,-4.6   2,-0.2   1,-0.1   8,-0.1   0.000  50.3 -84.2-115.1-179.6   62.4   28.2   41.1   63.7   28.8   40.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1130   0.8919   0.4378  -0.2638  -0.4518   0.8522   0.9579  -0.0192   0.2864
   92   98 A S        -     0   0   68    6,-0.3   6,-0.5  -2,-0.1   2,-0.3   0.000  25.0-173.2 -86.2 136.1   62.0   31.6   42.9   63.0   31.8   44.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2289   0.9732   0.0205  -0.9573  -0.2212  -0.1861  -0.1766  -0.0622   0.9823
   93   99 A R        +     0   0  147   -2,-0.2 -60,-0.1   4,-0.2   6,-0.0   0.000  43.5  29.1-129.6 138.3   60.2   34.8   42.2   58.9   34.6   41.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3179   0.9160   0.2446   0.9404   0.3375  -0.0417  -0.1208   0.2167  -0.9687
   94  100 A N  S    S+     0   0   94   -2,-0.3  -1,-0.1 -57,-0.0   4,-0.1   0.000  93.3  27.5  84.3 118.2   60.0   38.3   43.9   58.6   38.3   44.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2517   0.5983   0.7607   0.6135   0.5093  -0.6035  -0.7485   0.6186  -0.2388
   95  101 A K  S    S-     0   0   65    2,-0.1 -62,-0.0 -61,-0.1  -2,-0.0   0.000 135.1  -7.2  75.1  74.0   62.4   40.5   45.9   61.7   40.4   47.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8968  -0.0237   0.4419   0.3559   0.6321  -0.6884  -0.2630   0.7746   0.5753
   96  102 A G  S    S+     0   0   70    1,-0.2   2,-0.2 -62,-0.1 -63,-0.0   0.000  98.8 160.1  75.9  47.9   66.0   39.5   45.0   66.6   39.6   46.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4885  -0.8447  -0.2186   0.1105   0.3084  -0.9448   0.8655   0.4374   0.2440
   97  103 A S        -     0   0    9  -63,-0.1 -65,-0.5 -65,-0.0   2,-0.3   0.000  16.1-179.6-101.9 161.9   64.9   36.6   42.9   63.4   36.5   42.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2695  -0.6128  -0.7428   0.7268  -0.3765   0.5744  -0.6317  -0.6947   0.3439
   98  104 A S        -     0   0   18   -6,-0.5   2,-0.3  -2,-0.2  -6,-0.3   0.000  26.2-112.4-154.3 167.2   66.8   34.9   40.2   68.1   34.7   40.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1711  -0.6675  -0.7247  -0.5806   0.5260  -0.6215   0.7960   0.5271  -0.2975
   99  105 A A        -     0   0   11  -69,-1.5 -69,-0.5  -2,-0.3   2,-0.4   0.000  28.0-152.4-106.8 148.3   66.5   32.1   37.6   66.2   32.5   36.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3956  -0.8780  -0.2696  -0.3595  -0.4181   0.8342  -0.8451  -0.2331  -0.4811
  100  106 A V        +     0   0    5  -12,-0.4 -12,-1.0  -2,-0.3   2,-0.3   0.000  16.0 172.5-127.2 134.2   68.6   28.9   37.8   68.4   28.1   39.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4315  -0.8144  -0.3881   0.6213   0.5802  -0.5267   0.6540  -0.0139   0.7563
  101  107 A R  E     -AB  28  87A  14  -73,-2.0 -73,-2.7  -2,-0.4   2,-0.3   0.000  25.7-139.1-140.6 160.4   69.8   26.6   35.2   69.8   27.3   33.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5118  -0.7696  -0.3818  -0.4786  -0.6245   0.6172  -0.7135  -0.1331  -0.6879
  102  108 A V  E     -AB  27  86A  10  -16,-3.1 -16,-1.4  -2,-0.3   2,-0.6   0.000  26.4-129.2-106.9 151.1   72.1   23.6   34.5   71.7   22.1   34.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6486  -0.3419  -0.6800   0.6590   0.6992   0.2771   0.3807  -0.6278   0.6789
  103  109 A Y  E     - B   0  85A  21  -77,-1.5 -18,-0.3  -2,-0.3 -19,-0.1   0.000  32.8-113.4 -96.7 123.3   74.2   23.6   31.3   75.7   23.9   31.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1854  -0.6173  -0.7646  -0.9212   0.1617  -0.3539   0.3421   0.7700  -0.5387
  104  110 A R              0   0   91  -20,-1.0 -20,-0.0  -2,-0.6 -78,-0.0   0.000 360.0 360.0 -58.6 130.4   73.5   20.3   29.6   72.7   19.9   28.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6426  -0.7348  -0.2170   0.1364  -0.1689   0.9761  -0.7540  -0.6569  -0.0083
  105  111 A M              0   0  197  -20,-0.0  -1,-0.0   0, 0.0 -79,-0.0   0.000 360.0 360.0 -82.2 360.0   76.9   18.5   29.9   77.3   17.7   31.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6461  -0.5081  -0.5695   0.1620   0.8205  -0.5482   0.7458   0.2619   0.6125
  106    8 B M              0   0  189    0, 0.0   3,-0.0   0, 0.0   0, 0.0   0.000 360.0 360.0 360.0  50.8   56.0   40.7    3.6   55.2   39.8    4.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2179  -0.8429  -0.4920   0.9137   0.3534  -0.2008   0.3431  -0.4057   0.8472
  107    9 B R        -     0   0  105   52,-0.1  53,-0.0   1,-0.0  52,-0.0   0.000 360.0 -61.4 -29.4 171.0   56.7   40.2   -0.2   57.8   41.0   -0.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.0732  -0.7371  -0.6719  -0.9963  -0.0848  -0.0155  -0.0456   0.6705  -0.7405
  108   10 B P        -     0   0   63    0, 0.0   2,-0.3   0, 0.0   3,-0.1   0.000  41.8-136.0 -63.8 169.3   56.7   37.0   -2.2   56.4   36.9   -3.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5258  -0.8506   0.0093  -0.3499  -0.2063   0.9138  -0.7753  -0.4837  -0.4061
  109   11 B W    >   -     0   0  141    1,-0.0   3,-4.5  -3,-0.0   4,-0.4   0.000  43.1 -81.2-122.3 148.2   59.0   34.1   -1.7   58.6   33.2   -0.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5258  -0.7264  -0.4426   0.6503   0.6787  -0.3414   0.5483  -0.1083   0.8292
  110   12 B L  T 3>>S+     0   0    5   -2,-0.3   4,-1.4   1,-0.3   5,-0.5   0.000 125.5  59.7 -18.4 -71.2   60.7   32.2   -4.5   61.9   31.1   -4.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3496  -0.5161  -0.7819  -0.2141   0.8565  -0.4696   0.9121   0.0033  -0.4100
  111   13 B E  H 3>5S+     0   0   37    1,-0.2   4,-0.6   2,-0.2  -1,-0.3   0.000 117.6  38.2 -41.9 -17.8   57.8   29.9   -5.6   56.9   28.9   -4.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7863   0.2027  -0.5836   0.6095   0.0996  -0.7865  -0.1013  -0.9742  -0.2019
  112   14 B M  H <>5S+     0   0   73   -3,-4.5   4,-2.4   3,-0.2   5,-0.4   0.000 109.4  53.9 -94.4 -73.4   56.1   33.3   -6.2   55.6   34.1   -5.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0055   0.7615  -0.6481  -0.3181  -0.6158  -0.7208  -0.9480   0.2022   0.2457
  113   15 B Q  H  >5S+     0   0    9   -4,-0.4   4,-3.7   1,-0.2   5,-0.3   0.000 118.8  38.9 -28.5 -63.6   58.7   35.5   -7.6   60.1   35.8   -7.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4094  -0.0377  -0.9116  -0.8038   0.4578  -0.3799   0.4317   0.8882   0.1572
  114   16 B I  H  X5S+     0   0    0   -4,-1.4   4,-2.4   2,-0.2   5,-0.4   0.000 112.8  57.5 -57.9 -47.5   59.4   32.9  -10.4   60.2   31.4  -10.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5371  -0.3163  -0.7820   0.0277   0.9199  -0.3912   0.8431  -0.2317  -0.4853
  115   17 B N  H >X<S+     0   0   52   -4,-0.6   4,-1.1  -5,-0.5   3,-0.7   0.000 118.5  32.0 -42.9 -60.9   55.7   32.0  -10.7   54.7   31.8   -9.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7277   0.4319  -0.5328   0.3625  -0.4173  -0.8333  -0.5823  -0.7996   0.1471
  116   18 B S  H >< S+     0   0   75   -4,-2.4   3,-2.7   1,-0.2  -1,-0.2   0.000 115.7  59.0 -60.9 -59.9   55.0   35.6  -11.6   55.0   36.8  -10.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3096   0.5822  -0.7518  -0.5672  -0.5215  -0.6375  -0.7632   0.6237   0.1688
  117   19 B N  H 3< S+     0   0   26   -4,-3.7  -1,-0.2  -5,-0.4  -2,-0.2   0.000 108.5  45.9 -47.7 -17.3   58.4   36.1  -13.3   59.7   36.0  -12.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4085  -0.2609  -0.8747  -0.6043   0.6408  -0.4734   0.6841   0.7220   0.1041
  118   20 B Q  H << S+     0   0   14   -4,-2.4  -1,-0.3  -3,-0.7   8,-0.3   0.000 107.5  60.0 -95.1 -19.7   57.6   33.3  -15.8   57.5   31.8  -15.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5536  -0.1544  -0.8184   0.5115   0.7124  -0.4804   0.6572  -0.6846  -0.3154
  119   21 B I  S << S+     0   0  116   -3,-2.7  -2,-0.2  -4,-1.1  -1,-0.2   0.000 109.3  42.7 -84.6   1.4   54.1   34.8  -16.2   53.1   34.7  -15.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4778   0.7552  -0.4488   0.2428  -0.3774  -0.8936  -0.8442  -0.5360  -0.0030
  120   22 B P  S    S-     0   0   78    0, 0.0   2,-0.3   0, 0.0  -3,-0.1   0.000 111.2 -68.6-112.8-122.2   55.5   38.1  -17.5   56.2   38.9  -16.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3965   0.4778  -0.7839  -0.8484  -0.1355  -0.5117  -0.3507   0.8679   0.3517
  121   23 B G  S    S+     0   0   71   -2,-0.1  -3,-0.1   1,-0.0  -2,-0.1   0.000  73.7 123.6-142.0  91.0   58.3   38.7  -20.0   58.0   39.8  -20.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9683   0.0262  -0.2484   0.0529  -0.9934   0.1015  -0.2441  -0.1114  -0.9633
  122   24 B L  S    S-     0   0   46    2,-0.4  -4,-0.1  -2,-0.3   3,-0.1   0.000  79.2 -87.4-109.5 -75.0   61.8   37.8  -18.7   62.1   37.0  -17.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9273  -0.2101  -0.3098   0.0533   0.8933  -0.4464   0.3705   0.3974   0.8395
  123   25 B I  S    S+     0   0  105    1,-0.4   2,-0.3  26,-0.0  11,-0.1   0.000  93.7  69.9 177.2   1.6   63.3   35.2  -21.1   64.8   35.7  -21.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2872  -0.8571  -0.4277  -0.8220   0.0088  -0.5694   0.4918   0.5151  -0.7020
  124   26 B W        -     0   0   13    9,-0.1  -2,-0.4  10,-0.1  -1,-0.4   0.000  66.5-117.8-129.2 174.8   62.4   31.7  -20.1   63.1   31.1  -18.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7055  -0.7064   0.0573  -0.0664  -0.0145  -0.9977   0.7056  -0.7077  -0.0367
  125   27 B I        -     0   0   81   -2,-0.3   8,-2.2  -3,-0.1   2,-1.0   0.000  22.6-131.0-124.0 163.1   59.2   29.7  -20.2   59.1   28.9  -21.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7607  -0.5605   0.3276  -0.3384   0.7729   0.5367  -0.5540   0.2974  -0.7776
  126   28 B N        -     0   0   48   -8,-0.3   2,-6.2   6,-0.2   6,-0.2   0.000  37.2-176.3 -98.7  59.0   56.4   27.8  -18.5   55.0   28.4  -18.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4704  -0.8691  -0.1528   0.8048  -0.4935   0.3297  -0.3620   0.0321   0.9316
  127   29 B K  S    S+     0   0  115   -2,-1.0   2,-0.3   3,-0.1   5,-0.1   0.000  70.4   6.3 -57.6  48.0   57.1   25.1  -21.2   58.5   24.5  -21.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4122  -0.8863  -0.2112  -0.8065   0.4628  -0.3678   0.4237   0.0187  -0.9056
  128   30 B E  S    S-     0   0   91   -2,-6.2   2,-0.2   2,-0.1   0, 0.0   0.000  90.0 -92.3 156.8 178.2   54.1   23.4  -19.5   54.8   22.2  -18.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7540  -0.0638   0.6538  -0.6463   0.2498  -0.7210  -0.1173  -0.9662  -0.2295
  129   31 B E  S    S+     0   0  159   -2,-0.3   3,-0.1   3,-0.0  -2,-0.1   0.000 126.6  25.8-119.2  58.5   51.4   24.0  -16.9   49.9   23.9  -17.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2605  -0.1202   0.9580   0.7247   0.6312   0.2763  -0.6379   0.7662  -0.0773
  130   32 B M  S    S+     0   0  104    1,-0.3  77,-1.2  -2,-0.2   2,-0.2   0.000 118.5  59.2-173.7 -58.0   53.6   22.5  -14.2   53.7   21.0  -14.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8622  -0.0964   0.4974  -0.2795   0.7283   0.6256  -0.4226  -0.6784   0.6010
  131   33 B I  E     +C  207   0B  32   75,-0.2  -1,-0.3  -5,-0.1   2,-0.2   0.000  53.6 178.3 -99.4 153.3   57.1   23.0  -15.5   57.7   21.8  -16.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7376   0.5672  -0.3663   0.0500   0.4951   0.8674   0.6734  -0.6581   0.3369
  132   34 B F  E     -C  206   0B   0   73,-2.0  73,-1.4  -6,-0.2  -6,-0.2   0.000  18.5-123.7-145.3 175.8   59.5   25.8  -16.5   59.1   27.0  -15.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8278   0.4416  -0.3460  -0.1386  -0.4366  -0.8889  -0.5436   0.7838  -0.3003
  133   35 B Q        -     0   0   64   -8,-2.2  71,-0.2  -2,-0.2  -9,-0.1   0.000  10.0-160.0-113.8 176.4   63.0   26.8  -17.8   63.1   27.1  -19.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8714   0.4620   0.1649   0.2095  -0.6544   0.7265   0.4436  -0.5986  -0.6670
  134   36 B I        -     0   0    1   69,-0.4  69,-1.8  -2,-0.2   2,-1.6   0.000  29.8-116.0-162.7 118.0   65.8   29.1  -16.6   66.0   29.0  -15.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8721   0.4858  -0.0586  -0.3834   0.6040  -0.6987  -0.3040   0.6318   0.7130
  135   37 B P        +     0   0   30    0, 0.0  67,-0.2   0, 0.0  16,-0.2   0.000  38.5 170.8 -55.9  83.6   68.6   30.6  -18.8   68.4   32.0  -19.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9972   0.0719   0.0189   0.0743  -0.9669  -0.2442   0.0008   0.2449  -0.9695
  136   38 B W        +     0   0   45   -2,-1.6  66,-0.2  65,-0.4   3,-0.1   0.000   7.1 168.7 -88.0  34.2   71.6   29.0  -17.2   71.6   27.5  -16.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9963  -0.0638  -0.0582   0.0756   0.9700   0.2311   0.0417  -0.2346   0.9712
  137   39 B K        -     0   0   54   64,-0.2  62,-0.1  -2,-0.1  65,-0.1   0.000  44.4-117.3 -50.5 121.4   74.1   30.1  -19.8   74.1   31.3  -20.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9980   0.0562   0.0277   0.0555  -0.9981   0.0252   0.0290  -0.0236  -0.9993
  138   40 B H    >   -     0   0  101   60,-0.5   3,-0.6   1,-0.1  62,-0.1   0.000  25.4-128.5 -57.6 146.2   77.4   29.3  -18.2   78.4   28.2  -18.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7420   0.6374   0.2078  -0.5544   0.4091   0.7247   0.3769  -0.6530   0.6569
  139   41 B A  T 3  S+     0   0   37    1,-0.2  -1,-0.1  -3,-0.1  -2,-0.1   0.000 100.2  57.7 -94.3  32.0   79.0   32.7  -17.9   78.6   33.6  -16.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7458   0.6121  -0.2630  -0.2310  -0.1328  -0.9639  -0.6249   0.7796   0.0423
  140   42 B A  T 3  S+     0   0   68    3,-0.0  -1,-0.2   0, 0.0   4,-0.1   0.000  76.2 108.9-125.9 -17.0   82.3   32.1  -19.5   83.3   31.0  -18.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5145  -0.0690  -0.8547  -0.1370   0.9773  -0.1614   0.8464   0.2001   0.4934
  141   43 B K  S X  S-     0   0   88   -3,-0.6   3,-0.7   1,-0.1  58,-0.0   0.000  84.9-119.6 -52.6 150.1   80.6   31.0  -22.6   79.2   30.6  -22.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0552   0.5342  -0.8436   0.9410  -0.2547  -0.2229  -0.3339  -0.8061  -0.4886
  142   44 B H  T 3  S+     0   0  191    1,-0.2   2,-1.0   3,-0.0  -1,-0.1   0.000 104.4  66.1 -71.7 -35.1   81.5   33.9  -24.9   82.3   33.9  -26.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3645   0.8965  -0.2518   0.0365   0.2840   0.9581   0.9305   0.3401  -0.1363
  143   45 B G  T 3  S+     0   0   52    1,-0.1   2,-1.0   2,-0.0  -1,-0.2   0.000  72.4 137.2 -75.7  37.7   78.0   35.1  -25.6   77.1   34.3  -26.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7487   0.4934   0.4427   0.5740   0.8166   0.0606  -0.3316   0.2995  -0.8946
  144   46 B W    <   +     0   0   69   -2,-1.0   2,-0.7  -3,-0.7   3,-0.1   0.000  26.4 176.0 -97.6 101.0   77.4   36.1  -22.0   78.1   35.3  -20.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3362   0.6815   0.6500  -0.8655   0.0485  -0.4985  -0.3712  -0.7302   0.5735
  145   47 B D    >>  -     0   0   60   -2,-1.0   3,-4.3   1,-0.2   4,-2.2   0.000  26.8-146.5-100.8 115.8   75.7   39.4  -21.5   74.8   40.0  -22.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4352   0.5769   0.6913   0.8630   0.0485   0.5028   0.2565   0.8154  -0.5190
  146   48 B I  T 34 S+     0   0   40   -2,-0.7   4,-0.5   1,-0.3   3,-0.2   0.000 102.4  55.1 -41.3 -48.2   74.9   40.1  -17.8   75.5   41.2  -17.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8676   0.1768   0.4648  -0.2201  -0.9746  -0.0401   0.4459  -0.1371   0.8845
  147   49 B N  T 34 S+     0   0  108    1,-0.2  -1,-0.3   2,-0.1   4,-0.1   0.000 115.4  36.7 -71.1   7.2   71.8   41.9  -19.1   71.8   43.2  -19.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8875  -0.2144  -0.4078  -0.2671  -0.4819   0.8346  -0.3755   0.8496   0.3704
  148   50 B K  T <4 S+     0   0  139   -3,-4.3  -1,-0.2   3,-0.0  -2,-0.2   0.000 129.2  21.2-130.0 -19.4   70.6   38.8  -20.9   71.1   38.7  -22.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3849  -0.9211  -0.0576  -0.7776   0.2901   0.5579  -0.4972   0.2595  -0.8279
  149   51 B D  S  < S+     0   0   13   -4,-2.2   2,-2.2  -3,-0.2   4,-0.4   0.000 116.0  54.5-113.2 -55.7   71.5   35.9  -18.9   72.9   35.2  -19.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0983  -0.5232   0.8465  -0.9825  -0.0840  -0.1660   0.1579  -0.8480  -0.5058
  150   52 B A  S    S+     0   0    2   -4,-0.5  -1,-0.2  -5,-0.4 -14,-0.1   0.000  83.0 107.5 -81.9  66.1   72.0   36.9  -15.3   73.4   37.3  -14.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4802   0.5169   0.7087  -0.6880  -0.7232   0.0613   0.5442  -0.4581   0.7028
  151   53 B C  S >> S+     0   0   34   -2,-2.2   4,-3.5  -3,-0.2   3,-1.8   0.000  75.4  36.8-106.6 -77.2   68.6   38.5  -15.1   67.7   38.6  -16.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7917   0.2202   0.5699   0.5888   0.5240   0.6155  -0.1631   0.8228  -0.5444
  152   54 B L  H 3> S+     0   0    5   -3,-0.3   4,-2.6   1,-0.3   5,-0.4   0.000 117.8  59.3 -37.5 -57.5   66.1   36.6  -13.1   65.7   35.2  -13.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.0846  -0.2049   0.9751  -0.3410   0.9136   0.2216  -0.9363  -0.3512   0.0074
  153   55 B F  H 3> S+     0   0    6   -4,-0.4   4,-1.1   1,-0.2  -1,-0.3   0.000 113.0  38.1 -38.6 -40.9   69.2   36.0  -11.0   70.6   35.7  -11.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4824   0.5449   0.6858  -0.6722  -0.2717   0.6887   0.5616  -0.7932   0.2352
  154   56 B R  H <>>S+     0   0   77   -3,-1.8   4,-2.6   2,-0.2   5,-0.5   0.000 110.1  56.7 -79.7 -55.0   69.4   39.7  -10.7   69.7   40.7  -11.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4901   0.7475   0.4485   0.2794  -0.3527   0.8931   0.8257   0.5630  -0.0360
  155   57 B S  H  X5S+     0   0   40   -4,-3.5   4,-3.9   1,-0.3   3,-0.2   0.000 111.3  47.3 -36.4 -63.3   65.7   40.5  -10.4   64.6   39.7  -11.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5528  -0.0244   0.8329   0.3597   0.8947   0.2649  -0.7517   0.4461  -0.4858
  156   58 B W  H  X5S+     0   0   23   -4,-2.6   4,-3.3   1,-0.2   6,-0.3   0.000 108.7  52.5 -52.4 -41.1   65.7   38.1   -7.4   65.9   36.7   -7.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.3599   0.0092   0.9330  -0.6779   0.6897   0.2547  -0.6411  -0.7241   0.2544
  157   59 B A  H  <>S+     0   0    0   -4,-1.1   5,-3.1  -5,-0.4   6,-1.1   0.000 117.0  37.5 -68.0 -41.3   68.8   39.6   -5.7   70.2   39.6   -6.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.1803   0.7913   0.5843  -0.6065  -0.3783   0.6993   0.7744  -0.4804   0.4117
  158   60 B I  H  <5S+     0   0   60   -4,-2.6   3,-0.3   3,-0.2  -2,-0.2   0.000 118.3  54.4 -75.6 -29.6   67.5   43.1   -5.8   67.4   44.2   -6.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7619   0.4679   0.4478   0.4070  -0.1919   0.8930   0.5038   0.8627  -0.0443
  159   61 B H  H  <<S+     0   0   53   -4,-3.9  -2,-0.2  -5,-0.5  -3,-0.2   0.000 112.3  39.2 -60.3 -67.8   64.1   41.7   -5.1   63.3   40.5   -5.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4625  -0.2046   0.8627  -0.0372   0.9766   0.2118  -0.8858   0.0659  -0.4593
  160   62 B T  T  <5S-     0   0   23   -4,-3.3  -1,-0.3   1,-0.1  -2,-0.2   0.000 122.4-112.0 -59.2  -3.9   65.1   39.8   -2.0   65.8   38.5   -2.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4592   0.2253   0.8593  -0.8095   0.5046   0.3003  -0.3659  -0.8335   0.4141
  161   63 B G  T   5S+     0   0   49   -3,-0.3  -3,-0.2  -5,-0.2  -4,-0.1   0.000  81.3 126.0  83.6  19.3   67.2   42.8   -1.3   66.6   43.0    0.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.8850   0.2995   0.3565   0.2054   0.4360  -0.8762  -0.4178   0.8486   0.3244
  162   64 B R  S   <S+     0   0  129   -5,-3.1   2,-0.3  -6,-0.3  -4,-0.2   0.000  81.6  15.0 -73.9 -40.5   70.7   41.4   -1.7   71.1   40.0   -2.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9096   0.3633  -0.2016  -0.0002   0.4855   0.8743   0.4155  -0.7952   0.4416
  163   65 B Y        -     0   0   20   -6,-1.1   2,-0.4  -9,-0.2  -2,-0.2   0.000  66.5-146.5-133.1 164.8   71.6   44.0   -4.2   72.3   43.4   -5.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1716   0.8628  -0.4756   0.1755   0.5018   0.8470   0.9694   0.0619  -0.2375
  164   66 B K        -     0   0  162   -2,-0.3   3,-0.4   5,-0.2   5,-0.1   0.000  30.9-108.4-141.2 117.7   70.3   47.3   -5.3   70.2   48.2   -4.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.0921   0.7598  -0.6436  -0.5457  -0.5792  -0.6056  -0.8329   0.2954   0.4680
  165   67 B A  S    S+     0   0   54   -2,-0.4   3,-0.1   1,-0.3   0, 0.0   0.000 108.8  41.2 -38.8 152.2   70.5   48.6   -8.8   69.3   48.9   -9.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.4888   0.7954  -0.3585   0.8566  -0.5153   0.0246  -0.1651  -0.3191  -0.9332
  166   68 B G  S    S+     0   0   86    1,-0.3  -1,-0.3   2,-0.0   2,-0.1   0.000  92.2 132.3  74.3  16.2   73.0   51.4   -9.0   72.1   52.5   -8.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7572   0.3644   0.5421   0.6448  -0.2844  -0.7095  -0.1043   0.8868  -0.4503
  167   69 B E        -     0   0   81   -3,-0.4  -1,-0.3   2,-0.2  -4,-0.0   0.000  64.6-126.2 -93.4 170.0   75.3   49.4   -6.7   74.8   48.2   -6.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.9513  -0.2791   0.1308   0.2580   0.9533   0.1571  -0.1685  -0.1157   0.9789
  168   70 B K  S    S+     0   0  212   -2,-0.1   3,-0.2  -3,-0.1  -1,-0.1   0.000  93.1  75.7 -94.1 -15.7   79.1   48.8   -7.2   80.1   49.5   -6.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6774  -0.6666  -0.3112  -0.4152   0.0027  -0.9097   0.6072   0.7455  -0.2749
  169   71 B E        +     0   0   61    1,-0.2  -2,-0.2  -5,-0.1  -5,-0.2   0.000  47.1 167.1 -94.1 116.0   78.9   45.0   -6.9   78.5   44.3   -5.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3294  -0.7724  -0.5430   0.7036   0.1828  -0.6867   0.6297  -0.6083   0.4832
  170   72 B P        +     0   0   72    0, 0.0  -1,-0.2   0, 0.0   5,-0.1   0.000  25.1 151.5 -92.1 -31.3   77.4   43.8  -10.2   78.2   44.0  -11.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4795  -0.8144  -0.3268  -0.7910   0.2399   0.5628  -0.3800   0.5284  -0.7592
  171   73 B D     >  +     0   0   47   -3,-0.2   4,-1.4   1,-0.2  -2,-0.1   0.000  11.7 163.9   0.8  84.7   78.5   40.4   -9.0   79.0   40.4   -7.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4190  -0.9051   0.0723   0.3091  -0.2170  -0.9260   0.8538  -0.3657   0.3707
  172   74 B P  H  >  +     0   0   15    0, 0.0   4,-1.8   0, 0.0  -1,-0.2   0.000  61.3  80.8 -98.1  -0.5   76.0   38.2  -10.7   75.7   38.6  -12.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.3206  -0.9439  -0.0791  -0.3054   0.0240   0.9519  -0.8966   0.3293  -0.2960
  173   75 B K  H >> S+     0   0  179    2,-0.2   4,-2.0   3,-0.1   3,-0.7   0.000 104.1  36.6 -63.1 -56.1   78.0   35.1  -10.2   79.5   35.0   -9.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2424  -0.7942   0.5572  -0.7064  -0.2492  -0.6625   0.6650  -0.5542  -0.5007
  174   76 B T  H 3>>S+     0   0   48    1,-0.3   4,-1.5   2,-0.3   5,-0.5   0.000 106.0  63.5 -52.5 -66.5   76.5   35.2   -6.8   76.7   36.3   -5.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9362  -0.0999   0.3370   0.0498  -0.9868  -0.1541   0.3479  -0.1275   0.9288
  175   77 B W  H 3X5S+     0   0    4   -4,-1.4   4,-2.5   1,-0.3  -1,-0.3   0.000 108.7  47.8 -25.1 -45.6   73.2   36.5   -7.9   73.0   37.5   -9.1   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7585  -0.5554  -0.3408  -0.2635  -0.2169   0.9400  -0.5960   0.8028   0.0182
  176   78 B K  H <X5S+     0   0   39   -4,-1.8   4,-4.3  -3,-0.7  -1,-0.3   0.000 114.7  43.1 -66.1 -54.1   73.3   33.1   -9.7   74.3   32.7  -10.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1245  -0.9565   0.2637  -0.9710   0.1721   0.1659  -0.2040  -0.2354  -0.9502
  177   79 B A  H  X>S+     0   0   31   -4,-2.0   4,-1.2   2,-0.3   5,-0.6   0.000 112.7  50.5 -54.3 -62.4   74.4   31.1   -6.6   75.6   31.3   -5.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4675  -0.2809   0.8382  -0.5294  -0.6704  -0.5199   0.7080  -0.6868   0.1647
  178   80 B N  H  X5S+     0   0   65   -4,-1.5   4,-2.9   1,-0.3  -1,-0.2   0.000 119.4  41.0 -39.3 -55.6   72.0   32.8   -4.3   71.9   34.4   -4.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9896  -0.1266   0.0689   0.1438  -0.8336   0.5333  -0.0101   0.5377   0.8431
  179   81 B F  H  X<S+     0   0    0   -4,-2.5   4,-2.3  -5,-0.5  -2,-0.3   0.000 115.9  48.9 -65.1 -37.7   69.4   32.0   -6.9   69.2   32.6   -8.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4533  -0.8212  -0.3466  -0.4292  -0.1397   0.8924  -0.7812   0.5533  -0.2891
  180   82 B R  H >X5S+     0   0  108   -4,-4.3   4,-2.0  -6,-0.3   3,-0.5   0.000 114.3  43.9 -61.5 -79.8   70.7   28.5   -7.5   72.2   28.1   -7.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.1441  -0.8477   0.5105  -0.9502  -0.0255  -0.3106   0.2763  -0.5298  -0.8018
  181   83 B C  H 3X5S+     0   0   56   -4,-1.2   4,-1.6   1,-0.2  -2,-0.2   0.000 113.3  54.1 -28.4 -52.9   70.9   27.6   -3.9   71.8   28.3   -2.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7111  -0.1216   0.6925  -0.1973  -0.9108  -0.3626   0.6748  -0.3945   0.6237
  182   84 B A  H 3X<S+     0   0   17   -4,-2.9   4,-1.6  -5,-0.6  -1,-0.2   0.000 106.0  49.1 -49.2 -65.0   67.5   29.1   -3.3   67.0   30.5   -3.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9245  -0.3606  -0.1237   0.1181  -0.5794   0.8065  -0.3624   0.7310   0.5782
  183   85 B M  H << S+     0   0    3   -4,-2.3  -1,-0.3  -3,-0.5  -2,-0.2   0.000 109.9  58.4 -47.4 -31.1   65.8   27.2   -6.0   66.2   27.2   -7.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2469  -0.9670  -0.0624  -0.7476   0.1491   0.6471  -0.6165   0.2064  -0.7598
  184   86 B N  H  < S+     0   0   87   -4,-2.0  -2,-0.2  -5,-0.2   5,-0.2   0.000 105.7  43.5 -60.8 -83.0   67.5   24.3   -4.3   69.0   24.2   -3.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2989  -0.6145   0.7301  -0.6752  -0.4045  -0.6168   0.6744  -0.6773  -0.2940
  185   87 B S  H  < S+     0   0   94   -4,-1.6  -2,-0.2   2,-0.1  -1,-0.1   0.000  89.0 102.6 -18.1 -71.5   66.0   24.7   -0.8   66.1   26.1   -0.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9287  -0.0724   0.3638   0.1338  -0.9801   0.1466   0.3459   0.1848   0.9199
  186   88 B L     <  -     0   0   30   -4,-1.6   3,-0.3   1,-0.1 -76,-0.0   0.000  57.0-159.9 -21.9 134.6   62.4   25.4   -2.0   62.1   26.0   -3.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7707  -0.6126  -0.1750  -0.2399   0.0245   0.9705  -0.5903   0.7900  -0.1659
  187   89 B P  S    S+     0   0  110    0, 0.0  -1,-0.1   0, 0.0   3,-0.1   0.000  82.2  61.0-100.3 -18.6   60.3   22.3   -1.6   59.8   22.1   -0.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.6260  -0.6336  -0.4547   0.7174  -0.2393  -0.6542   0.3057  -0.7357   0.6044
  188   90 B D  S    S+     0   0   49    1,-0.2   2,-0.2  19,-0.1  -2,-0.1   0.000 100.2  57.8 -98.0  26.1   57.5   23.1   -4.0   56.5   24.1   -3.7   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.2468   0.0851  -0.9653   0.1993  -0.9704  -0.1365  -0.9483  -0.2261   0.2226
  189   91 B I        -     0   0    5   18,-0.4   2,-0.4  -3,-0.3  18,-0.3   0.000  63.9-173.2-152.7  95.8   59.8   23.3   -7.1   60.5   24.6   -7.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7059  -0.3375  -0.6227  -0.6335  -0.6940  -0.3421  -0.3167   0.6360  -0.7037
  190   92 B E  E     -D  207   0B  98   16,-1.7  16,-5.3  -2,-0.2   2,-0.6   0.000  27.3-127.2 -92.3 133.1   61.9   20.2   -8.0   61.5   18.8   -7.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6983  -0.2914  -0.6538   0.6295   0.6848   0.3671   0.3407  -0.6679   0.6617
  191   93 B E  E     -D  206   0B  43   -2,-0.4   2,-1.3  14,-0.3  14,-0.4   0.000  23.2-127.8 -77.1 122.8   64.4   20.7  -10.8   65.9   21.1  -10.8   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2297  -0.5272  -0.8181  -0.8930   0.2201  -0.3926   0.3871   0.8207  -0.4202
  192   94 B V        -     0   0   31   12,-0.6  12,-0.3  -2,-0.6  -1,-0.1   0.000  23.5-149.5 -69.4  99.2   63.6   17.9  -13.2   62.7   18.0  -14.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5796  -0.6580  -0.4807   0.1839  -0.4691   0.8638  -0.7939  -0.5890  -0.1509
  193   95 B K  S    S+     0   0  139   -2,-1.3   2,-3.3   1,-0.2   3,-0.4   0.000  70.5 105.8 -55.3 -12.6   67.2   16.7  -13.3   67.9   15.9  -12.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7099  -0.2229  -0.6680  -0.0282   0.9388  -0.3433   0.7037   0.2626   0.6602
  194   96 B D  S    S+     0   0  152    1,-0.2  -1,-0.2   2,-0.1  -2,-0.1   0.000  79.9  51.9 -66.5  70.7   67.0   15.4  -16.8   65.8   14.7  -17.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.2810   0.3559  -0.8913   0.9594  -0.1259   0.2523  -0.0224  -0.9260  -0.3769
  195   97 B Q        +     0   0   24   -2,-3.3   2,-1.1  -4,-0.1   7,-0.2   0.000  44.3 161.2 161.9  48.0   69.1   18.5  -18.0   67.9   19.4  -18.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.6089   0.7931  -0.0154   0.7111  -0.5543  -0.4325  -0.3516   0.2524  -0.9015
  196   98 B S        -     0   0  102   -3,-0.4   7,-0.1   7,-0.1  -2,-0.1   0.000  48.6-158.0 -71.4  33.8   72.5   19.5  -16.3   73.5   18.6  -15.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7650   0.6095  -0.2079  -0.5977   0.7922   0.1229   0.2396   0.0303   0.9704
  197   99 B R        -     0   0  120   -2,-1.1   4,-0.1   5,-0.4   3,-0.1   0.000  29.7-171.7 -16.9 147.6   72.9   21.5  -19.6   71.9   22.6  -20.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.7208   0.5250  -0.4526   0.4102  -0.8494  -0.3320  -0.5587   0.0536  -0.8276
  198  100 B N        +     0   0  133    1,-0.3 -60,-0.5   2,-0.1   3,-0.4   0.000  64.0  22.5-114.8 -59.0   76.2   22.7  -21.0   77.1   21.6  -21.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0.5237   0.7087  -0.4727  -0.1300   0.6149   0.7778   0.8419  -0.3459   0.4142
  199  101 B K  S    S+     0   0   87    1,-0.3  -1,-0.3 -62,-0.1   3,-0.1   0.000 131.2   7.6-122.1 145.6   75.7   25.0  -24.1   76.6   24.8  -25.3   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5526   0.6358  -0.5389  -0.1226   0.5776   0.8071   0.8244   0.5120  -0.2412
  200  102 B G  S    S+     0   0   50   -2,-0.4  -1,-0.3   1,-0.2   2,-0.2   0.000 113.3 174.4  47.1  54.0   72.8   27.2  -25.1   72.4   26.8  -26.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9402  -0.2050   0.2719   0.0406   0.7254   0.6871  -0.3381   0.6571  -0.6737
  201  103 B S        +     0   0   11   -3,-0.4 -65,-0.4  -4,-0.1   2,-0.3   0.000  30.1 165.2-100.1 161.3   72.1   25.7  -21.7   73.4   25.3  -20.9   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5479  -0.0449   0.8353  -0.7618  -0.3858  -0.5204   0.3457  -0.9215   0.1772
  202  104 B S        -     0   0   20  -67,-0.2  -5,-0.4  -7,-0.2   2,-0.3   0.000  32.1-113.2-167.3 164.0   69.5   26.0  -18.9   68.2   26.3  -19.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.5289  -0.2370   0.8149   0.7411   0.3389   0.5795  -0.4135   0.9105  -0.0036
  203  105 B A        -     0   0    8  -69,-1.8   2,-0.4  -2,-0.3 -69,-0.4   0.000  29.8-152.2-105.6 145.8   68.2   24.4  -15.7   68.6   24.9  -14.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8012  -0.4409   0.4047   0.0961  -0.7622  -0.6402   0.5907  -0.4740   0.6530
  204  106 B V        +     0   0   15   -2,-0.3 -12,-0.6 -12,-0.3   2,-0.3   0.000  15.5 174.2-126.0 137.9   64.7   22.8  -15.6   64.4   21.7  -16.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8277  -0.3012   0.4735  -0.1857   0.9433   0.2752  -0.5296   0.1399  -0.8367
  205  107 B R  E     -CD 133 192B   6  -73,-1.4 -73,-2.0  -2,-0.4   2,-0.4   0.000  24.8-140.8-140.9 158.8   62.3   22.3  -12.7   62.6   23.2  -11.6   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8609  -0.2473   0.4446   0.0923  -0.9353  -0.3416   0.5003  -0.2531   0.8281
  206  108 B V  E     -CD 132 191B  12  -16,-5.3 -16,-1.7  -2,-0.3   2,-0.6   0.000  27.6-128.1-107.2 147.6   58.7   21.2  -11.8   58.3   19.7  -11.5   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.7709   0.2273   0.5950  -0.1780   0.8201  -0.5439  -0.6116  -0.5252  -0.5917
  207  109 B Y        -     0   0   20  -77,-1.2 -18,-0.4  -2,-0.4 -19,-0.1   0.000  31.2-114.1 -93.8 125.6   56.8   23.1   -9.2   55.8   24.2   -9.4   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.4952  -0.1921   0.8473   0.8582  -0.2597   0.4427   0.1350   0.9464   0.2935
  208  110 B R              0   0   83   -2,-0.6 -20,-0.0   1,-0.0 -78,-0.0   0.000 360.0 360.0 -60.0 128.2   55.6   20.6   -6.6   56.1   20.3   -5.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.9374  -0.1871   0.2937  -0.2099  -0.3694  -0.9052   0.2779  -0.9102   0.3070
  209  111 B M              0   0  196   -2,-0.1  -1,-0.0 -20,-0.0 -79,-0.0   0.000 360.0 360.0 -83.7 360.0   51.8   20.8   -7.1   51.1   20.1   -8.2   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0   0  0.0  -0.8429   0.0517   0.5355   0.2673   0.9041   0.3335  -0.4669   0.4243  -0.7759
printout DONE