REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1v1b_1_D DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 L N 4.363 125.548 121.223 -0.063 0.000 2.483 2 L HA 0.191 4.531 4.340 -0.000 0.000 0.276 2 L C 0.895 177.740 176.870 -0.041 0.000 1.213 2 L CA 0.344 55.138 54.840 -0.078 0.000 0.843 2 L CB 0.558 42.500 42.059 -0.196 0.000 1.107 2 L HN 0.816 nan 8.230 nan 0.000 0.487 3 E N 0.992 121.185 120.200 -0.012 0.000 2.206 3 E HA 0.134 4.484 4.350 -0.000 0.000 0.195 3 E C -0.573 176.051 176.600 0.041 0.000 0.935 3 E CA 0.287 56.703 56.400 0.027 0.000 0.875 3 E CB 0.847 30.569 29.700 0.038 0.000 0.841 3 E HN 0.351 nan 8.360 nan 0.000 0.477 4 V N 1.592 121.513 119.914 0.012 0.000 2.735 4 V HA 0.369 4.489 4.120 -0.000 0.000 0.310 4 V C -0.709 175.395 176.094 0.016 0.000 1.061 4 V CA -0.871 61.453 62.300 0.040 0.000 0.913 4 V CB 2.344 34.174 31.823 0.012 0.000 1.005 4 V HN -0.125 nan 8.190 nan 0.000 0.428 5 V N 2.558 122.500 119.914 0.046 0.000 2.525 5 V HA 0.634 4.754 4.120 -0.000 0.000 0.299 5 V C -0.157 175.999 176.094 0.103 0.000 1.034 5 V CA -0.260 62.064 62.300 0.040 0.000 0.863 5 V CB 1.975 33.770 31.823 -0.046 0.000 0.999 5 V HN 0.957 nan 8.190 nan 0.000 0.423 6 T N 2.980 117.620 114.554 0.143 0.000 2.930 6 T HA 0.926 5.275 4.350 -0.000 0.000 0.290 6 T C -0.719 174.048 174.700 0.111 0.000 1.052 6 T CA 0.138 62.353 62.100 0.193 0.000 1.017 6 T CB 1.842 70.891 68.868 0.302 0.000 1.137 6 T HN 1.243 nan 8.240 nan 0.000 0.511 7 A N 0.655 123.545 122.820 0.118 0.000 2.594 7 A HA 0.938 5.258 4.320 -0.000 0.000 0.295 7 A C -0.071 177.585 177.584 0.121 0.000 1.071 7 A CA 0.018 52.036 52.037 -0.032 0.000 0.685 7 A CB 1.339 20.405 19.000 0.109 0.000 1.285 7 A HN 1.590 nan 8.150 nan 0.000 0.405 8 G N -0.222 108.622 108.800 0.072 0.000 2.344 8 G HA2 0.458 4.418 3.960 -0.000 0.000 0.282 8 G HA3 0.458 4.418 3.960 -0.000 0.000 0.282 8 G C -1.384 173.641 174.900 0.207 0.000 1.281 8 G CA -0.041 45.145 45.100 0.143 0.000 0.877 8 G HN 1.054 nan 8.290 nan 0.000 0.494 9 E N 0.755 121.048 120.200 0.156 0.000 2.134 9 E HA 0.603 4.953 4.350 -0.000 0.000 0.278 9 E C -2.433 174.279 176.600 0.187 0.000 0.959 9 E CA -1.661 54.828 56.400 0.149 0.000 0.783 9 E CB 1.655 31.377 29.700 0.037 0.000 1.095 9 E HN 0.129 nan 8.360 nan 0.000 0.399 10 P HA 0.268 nan 4.420 nan 0.000 0.277 10 P C -1.002 176.385 177.300 0.146 0.000 1.240 10 P CA -0.266 62.917 63.100 0.138 0.000 0.798 10 P CB 0.797 32.583 31.700 0.144 0.000 0.979 11 L N 0.716 122.032 121.223 0.156 0.000 2.415 11 L HA 0.514 4.854 4.340 -0.000 0.000 0.256 11 L C -0.959 176.035 176.870 0.207 0.000 1.010 11 L CA -1.200 53.773 54.840 0.222 0.000 0.826 11 L CB 2.421 44.673 42.059 0.321 0.000 1.405 11 L HN -0.006 nan 8.230 nan 0.000 0.410 12 V N 1.428 121.454 119.914 0.187 0.000 2.398 12 V HA 0.643 4.763 4.120 -0.000 0.000 0.286 12 V C 0.098 176.173 176.094 -0.032 0.000 1.026 12 V CA -0.537 61.816 62.300 0.087 0.000 0.868 12 V CB 1.566 33.423 31.823 0.057 0.000 0.982 12 V HN 0.784 nan 8.190 nan 0.000 0.443 13 A N 6.199 128.943 122.820 -0.127 0.000 2.276 13 A HA 0.809 5.128 4.320 -0.000 0.000 0.316 13 A C -0.715 176.714 177.584 -0.258 0.000 1.229 13 A CA -0.438 51.304 52.037 -0.492 0.000 0.851 13 A CB 0.425 19.212 19.000 -0.355 0.000 1.165 13 A HN 0.816 nan 8.150 nan 0.000 0.513 14 L N 3.668 124.691 121.223 -0.333 0.000 2.276 14 L HA 0.509 4.849 4.340 -0.000 0.000 0.286 14 L C -0.907 175.910 176.870 -0.088 0.000 1.024 14 L CA -0.547 54.207 54.840 -0.144 0.000 0.826 14 L CB 1.542 43.528 42.059 -0.121 0.000 1.211 14 L HN 0.451 nan 8.230 nan 0.000 0.422 15 V N 4.973 124.897 119.914 0.017 0.000 2.656 15 V HA 0.489 4.609 4.120 -0.000 0.000 0.307 15 V C -2.093 174.040 176.094 0.064 0.000 1.051 15 V CA -1.677 60.657 62.300 0.056 0.000 0.893 15 V CB 2.197 34.068 31.823 0.079 0.000 0.999 15 V HN 0.551 nan 8.190 nan 0.000 0.426 16 P HA 0.183 nan 4.420 nan 0.000 0.272 16 P C 0.020 177.347 177.300 0.046 0.000 1.230 16 P CA -0.166 62.962 63.100 0.047 0.000 0.788 16 P CB 1.036 32.769 31.700 0.055 0.000 0.949 17 Q N -0.256 119.564 119.800 0.034 0.000 2.224 17 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 17 Q C 1.013 177.026 176.000 0.022 0.000 0.970 17 Q CA 1.171 56.992 55.803 0.030 0.000 0.865 17 Q CB 0.086 28.835 28.738 0.019 0.000 0.922 17 Q HN 0.613 nan 8.270 nan 0.000 0.445 18 E N -0.134 120.081 120.200 0.026 0.000 2.459 18 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 18 E C -2.893 173.732 176.600 0.041 0.000 0.987 18 E CA -2.458 53.956 56.400 0.024 0.000 0.828 18 E CB 0.751 30.464 29.700 0.022 0.000 1.428 18 E HN -0.283 nan 8.360 nan 0.000 0.457 19 P HA 0.419 nan 4.420 nan 0.000 0.272 19 P C -0.326 177.004 177.300 0.051 0.000 1.254 19 P CA 1.007 64.148 63.100 0.068 0.000 0.795 19 P CB 0.215 31.952 31.700 0.061 0.000 1.022 20 G N -1.319 107.499 108.800 0.030 0.000 2.525 20 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.685 20 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.685 20 G C -1.189 173.719 174.900 0.013 0.000 1.285 20 G CA -0.902 44.212 45.100 0.023 0.000 0.849 20 G HN 0.569 nan 8.290 nan 0.000 0.653 21 H N 0.720 119.823 119.070 0.054 0.000 3.001 21 H HA 0.060 4.616 4.556 -0.000 0.000 0.334 21 H C 1.735 177.095 175.328 0.053 0.000 1.034 21 H CA 0.786 56.870 56.048 0.060 0.000 1.420 21 H CB 1.498 31.288 29.762 0.046 0.000 1.405 21 H HN 0.530 nan 8.280 nan 0.000 0.593 22 L N 5.554 126.887 121.223 0.184 0.000 2.043 22 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 22 L C 2.728 179.631 176.870 0.054 0.000 1.075 22 L CA 1.813 56.714 54.840 0.100 0.000 0.752 22 L CB -0.460 41.643 42.059 0.074 0.000 0.891 22 L HN 0.694 nan 8.230 nan 0.000 0.432 23 R N -0.838 119.696 120.500 0.057 0.000 2.185 23 R HA -0.135 4.204 4.340 -0.000 0.000 0.247 23 R C 1.748 178.056 176.300 0.015 0.000 1.159 23 R CA 1.538 57.643 56.100 0.008 0.000 0.988 23 R CB -1.292 29.004 30.300 -0.007 0.000 0.871 23 R HN 0.474 nan 8.270 nan 0.000 0.458 24 G N 0.638 109.466 108.800 0.047 0.000 3.088 24 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 24 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 24 G C -0.169 174.747 174.900 0.027 0.000 1.159 24 G CA -0.467 44.654 45.100 0.035 0.000 0.760 24 G HN 0.012 nan 8.290 nan 0.000 0.550 25 K N 0.486 120.902 120.400 0.026 0.000 2.185 25 K HA 0.407 4.727 4.320 -0.000 0.000 0.271 25 K C 0.618 177.218 176.600 -0.001 0.000 1.013 25 K CA -0.358 55.939 56.287 0.016 0.000 0.943 25 K CB 1.739 34.252 32.500 0.021 0.000 0.998 25 K HN 0.088 nan 8.250 nan 0.000 0.468 26 R N 0.712 121.210 120.500 -0.003 0.000 2.373 26 R HA 0.249 4.589 4.340 -0.000 0.000 0.221 26 R C -0.177 176.113 176.300 -0.018 0.000 0.893 26 R CA -0.075 56.018 56.100 -0.012 0.000 1.049 26 R CB 0.442 30.736 30.300 -0.009 0.000 1.119 26 R HN 0.214 nan 8.270 nan 0.000 0.535 27 L N 0.570 121.784 121.223 -0.015 0.000 2.445 27 L HA 0.490 4.830 4.340 -0.000 0.000 0.262 27 L C -1.518 175.341 176.870 -0.019 0.000 0.974 27 L CA -0.528 54.299 54.840 -0.021 0.000 0.822 27 L CB 2.387 44.434 42.059 -0.020 0.000 1.339 27 L HN -0.127 nan 8.230 nan 0.000 0.409 28 L N 1.612 122.815 121.223 -0.032 0.000 2.401 28 L HA 0.538 4.878 4.340 -0.000 0.000 0.266 28 L C -0.559 176.278 176.870 -0.055 0.000 0.991 28 L CA -0.519 54.303 54.840 -0.030 0.000 0.818 28 L CB 2.214 44.250 42.059 -0.037 0.000 1.321 28 L HN 0.468 nan 8.230 nan 0.000 0.413 29 E N 1.132 121.310 120.200 -0.037 0.000 2.283 29 E HA 0.440 4.790 4.350 -0.000 0.000 0.278 29 E C -1.137 175.331 176.600 -0.221 0.000 1.027 29 E CA -0.604 55.717 56.400 -0.131 0.000 0.843 29 E CB 1.911 31.608 29.700 -0.005 0.000 1.062 29 E HN 0.213 nan 8.360 nan 0.000 0.401 30 V N 4.117 123.790 119.914 -0.402 0.000 2.394 30 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 30 V C -0.869 174.878 176.094 -0.578 0.000 1.031 30 V CA -0.549 61.549 62.300 -0.337 0.000 0.881 30 V CB -0.005 31.688 31.823 -0.217 0.000 0.982 30 V HN 0.561 nan 8.190 nan 0.000 0.451 31 Y N 2.079 122.310 120.300 -0.114 0.000 2.576 31 Y HA 0.622 5.172 4.550 -0.000 0.000 0.346 31 Y C -0.086 175.753 175.900 -0.102 0.000 1.018 31 Y CA -1.076 56.948 58.100 -0.126 0.000 1.050 31 Y CB 2.252 40.617 38.460 -0.158 0.000 1.280 31 Y HN 0.336 nan 8.280 nan 0.000 0.474 32 V N 2.655 122.607 119.914 0.064 0.000 2.348 32 V HA 0.680 4.800 4.120 -0.000 0.000 0.270 32 V C 0.345 176.496 176.094 0.094 0.000 1.037 32 V CA -0.168 62.172 62.300 0.066 0.000 0.872 32 V CB 0.426 32.293 31.823 0.073 0.000 1.002 32 V HN 0.951 nan 8.190 nan 0.000 0.464 33 G N 2.603 111.495 108.800 0.154 0.000 3.119 33 G HA2 0.805 4.765 3.960 -0.000 0.000 0.206 33 G HA3 0.805 4.765 3.960 -0.000 0.000 0.206 33 G C 0.031 175.035 174.900 0.173 0.000 1.313 33 G CA -0.663 44.562 45.100 0.208 0.000 1.010 33 G HN 1.528 nan 8.290 nan 0.000 0.578 34 G N -2.080 106.817 108.800 0.161 0.000 3.435 34 G HA2 0.424 4.384 3.960 -0.000 0.000 0.683 34 G HA3 0.424 4.384 3.960 -0.000 0.000 0.683 34 G C 0.739 175.677 174.900 0.063 0.000 1.189 34 G CA 0.498 45.655 45.100 0.094 0.000 1.069 34 G HN 1.760 nan 8.290 nan 0.000 0.508 35 A N 2.187 125.044 122.820 0.061 0.000 1.883 35 A HA -0.192 4.128 4.320 -0.000 0.000 0.222 35 A C 2.124 179.751 177.584 0.072 0.000 1.339 35 A CA 2.755 54.830 52.037 0.063 0.000 0.692 35 A CB -0.613 18.421 19.000 0.056 0.000 0.845 35 A HN 1.112 nan 8.150 nan 0.000 0.467 36 E N -0.783 119.485 120.200 0.113 0.000 2.265 36 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 36 E C 1.830 178.445 176.600 0.026 0.000 0.996 36 E CA 1.005 57.512 56.400 0.178 0.000 0.832 36 E CB -0.265 29.617 29.700 0.303 0.000 0.756 36 E HN 0.415 nan 8.360 nan 0.000 0.491 37 V N 1.635 121.456 119.914 -0.154 0.000 2.453 37 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 37 V C 1.652 177.512 176.094 -0.390 0.000 1.048 37 V CA 1.515 63.549 62.300 -0.444 0.000 1.049 37 V CB -0.455 31.103 31.823 -0.441 0.000 0.672 37 V HN 0.322 nan 8.190 nan 0.000 0.457 38 N N 0.574 119.138 118.700 -0.227 0.000 2.084 38 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 38 N C 1.831 177.178 175.510 -0.271 0.000 1.030 38 N CA 1.438 54.325 53.050 -0.272 0.000 0.849 38 N CB -0.633 37.869 38.487 0.026 0.000 1.012 38 N HN 0.366 nan 8.380 nan 0.000 0.423 39 V N 1.803 121.622 119.914 -0.159 0.000 2.343 39 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 39 V C 2.512 178.502 176.094 -0.172 0.000 1.051 39 V CA 1.715 63.917 62.300 -0.163 0.000 1.036 39 V CB -1.001 30.751 31.823 -0.118 0.000 0.654 39 V HN 0.303 nan 8.190 nan 0.000 0.451 40 A N -0.121 122.611 122.820 -0.147 0.000 1.865 40 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 40 A C 2.407 179.874 177.584 -0.195 0.000 1.191 40 A CA 2.336 54.297 52.037 -0.125 0.000 0.623 40 A CB -0.812 18.123 19.000 -0.110 0.000 0.826 40 A HN 0.325 nan 8.150 nan 0.000 0.444 41 V N -0.151 119.575 119.914 -0.314 0.000 2.295 41 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 41 V C 3.082 179.021 176.094 -0.259 0.000 1.049 41 V CA 1.968 64.079 62.300 -0.314 0.000 1.024 41 V CB -1.321 30.196 31.823 -0.511 0.000 0.648 41 V HN 0.639 nan 8.190 nan 0.000 0.447 42 A N -0.202 122.457 122.820 -0.268 0.000 1.917 42 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 42 A C 2.214 179.676 177.584 -0.203 0.000 1.182 42 A CA 2.062 53.967 52.037 -0.220 0.000 0.633 42 A CB -0.562 18.325 19.000 -0.188 0.000 0.819 42 A HN 0.527 nan 8.150 nan 0.000 0.448 43 L N -1.117 119.988 121.223 -0.196 0.000 2.072 43 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 43 L C 3.113 179.907 176.870 -0.127 0.000 1.079 43 L CA 0.957 55.684 54.840 -0.189 0.000 0.752 43 L CB -0.614 41.336 42.059 -0.182 0.000 0.906 43 L HN 0.422 nan 8.230 nan 0.000 0.436 44 A N 0.234 122.990 122.820 -0.106 0.000 1.902 44 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 44 A C 2.378 179.943 177.584 -0.032 0.000 1.181 44 A CA 1.507 53.512 52.037 -0.053 0.000 0.623 44 A CB -0.525 18.442 19.000 -0.055 0.000 0.818 44 A HN 0.306 nan 8.150 nan 0.000 0.443 45 R N -0.705 119.732 120.500 -0.106 0.000 2.152 45 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 45 R C 1.303 177.597 176.300 -0.011 0.000 1.117 45 R CA 1.077 57.092 56.100 -0.141 0.000 0.981 45 R CB -0.359 29.624 30.300 -0.529 0.000 0.870 45 R HN 0.509 nan 8.270 nan 0.000 0.451 46 L N -0.687 120.531 121.223 -0.008 0.000 2.592 46 L HA 0.183 4.523 4.340 -0.000 0.000 0.227 46 L C 1.119 178.135 176.870 0.245 0.000 1.127 46 L CA 0.337 55.243 54.840 0.110 0.000 0.884 46 L CB 0.349 42.412 42.059 0.006 0.000 1.065 46 L HN 0.424 nan 8.230 nan 0.000 0.457 47 G N -0.044 108.854 108.800 0.163 0.000 2.176 47 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 47 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 47 G C 0.271 175.291 174.900 0.201 0.000 0.979 47 G CA -0.018 45.199 45.100 0.196 0.000 0.641 47 G HN 0.098 nan 8.290 nan 0.000 0.530 48 V N 2.161 122.139 119.914 0.106 0.000 2.555 48 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 48 V C 0.960 177.066 176.094 0.021 0.000 1.044 48 V CA -0.123 62.194 62.300 0.028 0.000 1.026 48 V CB 1.238 32.954 31.823 -0.178 0.000 0.981 48 V HN 0.337 nan 8.190 nan 0.000 0.480 49 K N 4.662 125.086 120.400 0.040 0.000 2.363 49 K HA 0.412 4.732 4.320 -0.000 0.000 0.289 49 K C -0.580 176.020 176.600 -0.001 0.000 1.063 49 K CA -0.035 56.267 56.287 0.025 0.000 0.967 49 K CB 1.052 33.571 32.500 0.031 0.000 0.987 49 K HN 0.400 nan 8.250 nan 0.000 0.473 50 V N 1.655 121.570 119.914 0.001 0.000 2.962 50 V HA 0.752 4.872 4.120 -0.000 0.000 0.313 50 V C -0.595 175.526 176.094 0.045 0.000 1.099 50 V CA -0.475 61.828 62.300 0.006 0.000 0.971 50 V CB 2.205 34.024 31.823 -0.005 0.000 1.028 50 V HN 0.880 nan 8.190 nan 0.000 0.430 51 G N 3.310 112.155 108.800 0.076 0.000 2.481 51 G HA2 0.693 4.653 3.960 -0.000 0.000 0.315 51 G HA3 0.693 4.653 3.960 -0.000 0.000 0.315 51 G C -1.940 173.106 174.900 0.244 0.000 1.231 51 G CA -0.592 44.620 45.100 0.186 0.000 0.968 51 G HN 0.784 nan 8.290 nan 0.000 0.482 52 F N 2.155 122.166 119.950 0.103 0.000 2.493 52 F HA 0.623 5.150 4.527 -0.000 0.000 0.329 52 F C -0.666 175.211 175.800 0.128 0.000 1.126 52 F CA -1.028 57.011 58.000 0.065 0.000 0.937 52 F CB 2.179 41.150 39.000 -0.048 0.000 1.146 52 F HN 0.327 nan 8.300 nan 0.000 0.442 53 V N 5.911 125.328 119.914 -0.828 0.000 2.370 53 V HA 0.927 5.047 4.120 -0.000 0.000 0.279 53 V C 0.218 175.781 176.094 -0.885 0.000 1.029 53 V CA 0.013 61.959 62.300 -0.591 0.000 0.870 53 V CB 0.496 32.122 31.823 -0.328 0.000 0.984 53 V HN 1.124 nan 8.190 nan 0.000 0.451 54 G N 4.264 112.847 108.800 -0.361 0.000 2.328 54 G HA2 0.631 4.591 3.960 -0.000 0.000 0.295 54 G HA3 0.631 4.591 3.960 -0.000 0.000 0.295 54 G C -1.883 173.056 174.900 0.065 0.000 1.413 54 G CA -0.959 44.075 45.100 -0.110 0.000 0.817 54 G HN 0.493 nan 8.290 nan 0.000 0.546 55 R N -1.443 119.076 120.500 0.032 0.000 2.854 55 R HA 0.866 5.206 4.340 -0.000 0.000 0.271 55 R C -0.030 176.276 176.300 0.010 0.000 0.994 55 R CA -0.454 55.569 56.100 -0.128 0.000 0.945 55 R CB 1.954 32.168 30.300 -0.144 0.000 1.194 55 R HN 1.304 nan 8.270 nan 0.000 0.476 56 V N -1.799 118.071 119.914 -0.075 0.000 3.160 56 V HA 0.923 5.042 4.120 -0.000 0.000 0.310 56 V C 0.182 176.260 176.094 -0.026 0.000 1.181 56 V CA -0.979 61.342 62.300 0.035 0.000 1.047 56 V CB 1.774 33.709 31.823 0.185 0.000 1.068 56 V HN 0.720 nan 8.190 nan 0.000 0.441 57 G N -0.347 108.458 108.800 0.009 0.000 2.599 57 G HA2 0.460 4.420 3.960 -0.000 0.000 0.264 57 G HA3 0.460 4.420 3.960 -0.000 0.000 0.264 57 G C -0.015 174.909 174.900 0.039 0.000 1.200 57 G CA -0.499 44.614 45.100 0.023 0.000 0.896 57 G HN 0.875 nan 8.290 nan 0.000 0.536 58 E N 0.726 120.950 120.200 0.040 0.000 2.422 58 E HA 0.067 4.416 4.350 -0.000 0.000 0.267 58 E C -0.324 176.307 176.600 0.052 0.000 1.466 58 E CA -0.127 56.294 56.400 0.034 0.000 1.767 58 E CB 0.037 29.751 29.700 0.022 0.000 1.471 58 E HN 0.578 nan 8.360 nan 0.000 0.446 59 D N -1.256 119.185 120.400 0.070 0.000 2.650 59 D HA 0.104 4.744 4.640 -0.000 0.000 0.255 59 D C 0.922 177.259 176.300 0.063 0.000 1.135 59 D CA -0.649 53.393 54.000 0.069 0.000 1.099 59 D CB 0.537 41.394 40.800 0.095 0.000 1.273 59 D HN -0.266 nan 8.370 nan 0.000 0.628 60 E N -0.460 119.771 120.200 0.051 0.000 2.106 60 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 60 E C 2.049 178.679 176.600 0.051 0.000 0.984 60 E CA 0.695 57.120 56.400 0.042 0.000 0.806 60 E CB -0.123 29.591 29.700 0.024 0.000 0.750 60 E HN 0.459 nan 8.360 nan 0.000 0.458 61 L N -0.174 121.087 121.223 0.063 0.000 2.109 61 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 61 L C 2.546 179.474 176.870 0.096 0.000 1.086 61 L CA 1.158 56.041 54.840 0.071 0.000 0.760 61 L CB -0.870 41.240 42.059 0.086 0.000 0.910 61 L HN 0.130 nan 8.230 nan 0.000 0.437 62 G N 0.082 108.948 108.800 0.111 0.000 2.422 62 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 62 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 62 G C 1.811 176.805 174.900 0.157 0.000 1.146 62 G CA 0.838 46.023 45.100 0.141 0.000 0.769 62 G HN 0.440 nan 8.290 nan 0.000 0.547 63 A N 0.535 123.422 122.820 0.112 0.000 1.902 63 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 63 A C 2.340 179.981 177.584 0.095 0.000 1.181 63 A CA 1.843 53.943 52.037 0.104 0.000 0.623 63 A CB -0.426 18.616 19.000 0.070 0.000 0.818 63 A HN 0.385 nan 8.150 nan 0.000 0.443 64 M N -0.173 119.469 119.600 0.071 0.000 2.108 64 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 64 M C 1.948 178.279 176.300 0.051 0.000 1.066 64 M CA 2.038 57.366 55.300 0.047 0.000 1.107 64 M CB -0.263 32.353 32.600 0.028 0.000 1.356 64 M HN 0.244 nan 8.290 nan 0.000 0.406 65 V N 0.319 120.278 119.914 0.076 0.000 2.295 65 V HA -0.293 3.826 4.120 -0.000 0.000 0.246 65 V C 2.182 178.278 176.094 0.003 0.000 1.049 65 V CA 2.366 64.694 62.300 0.048 0.000 1.024 65 V CB -0.974 30.911 31.823 0.104 0.000 0.648 65 V HN 0.585 nan 8.190 nan 0.000 0.447 66 E N -0.016 120.258 120.200 0.123 0.000 2.085 66 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 66 E C 2.242 178.874 176.600 0.053 0.000 0.994 66 E CA 1.598 58.087 56.400 0.148 0.000 0.801 66 E CB -0.060 29.856 29.700 0.359 0.000 0.743 66 E HN 0.690 nan 8.360 nan 0.000 0.453 67 E N -0.070 120.164 120.200 0.057 0.000 2.038 67 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 67 E C 2.226 178.833 176.600 0.013 0.000 1.000 67 E CA 1.174 57.596 56.400 0.037 0.000 0.803 67 E CB -0.117 29.604 29.700 0.036 0.000 0.750 67 E HN 0.011 nan 8.360 nan 0.000 0.448 68 R N 1.391 121.893 120.500 0.003 0.000 2.096 68 R HA -0.152 4.188 4.340 -0.000 0.000 0.240 68 R C 2.173 178.450 176.300 -0.038 0.000 1.139 68 R CA 1.461 57.562 56.100 0.002 0.000 0.952 68 R CB -0.876 29.437 30.300 0.023 0.000 0.854 68 R HN 0.178 nan 8.270 nan 0.000 0.436 69 L N -0.216 120.941 121.223 -0.110 0.000 2.042 69 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 69 L C 2.837 179.658 176.870 -0.082 0.000 1.076 69 L CA 2.027 56.763 54.840 -0.172 0.000 0.749 69 L CB -0.411 41.438 42.059 -0.350 0.000 0.893 69 L HN 0.280 nan 8.230 nan 0.000 0.432 70 R N -0.085 120.393 120.500 -0.037 0.000 2.093 70 R HA -0.074 4.266 4.340 -0.000 0.000 0.224 70 R C 2.339 178.650 176.300 0.018 0.000 1.101 70 R CA 1.144 57.250 56.100 0.009 0.000 0.979 70 R CB -0.177 30.146 30.300 0.039 0.000 0.877 70 R HN 0.296 nan 8.270 nan 0.000 0.441 71 A N 0.885 123.715 122.820 0.018 0.000 1.933 71 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 71 A C 1.652 179.259 177.584 0.039 0.000 1.175 71 A CA 1.344 53.400 52.037 0.031 0.000 0.628 71 A CB -0.267 18.754 19.000 0.035 0.000 0.814 71 A HN 0.310 nan 8.150 nan 0.000 0.444 72 E N -1.049 119.165 120.200 0.023 0.000 2.511 72 E HA 0.123 4.473 4.350 -0.000 0.000 0.196 72 E C 1.125 177.736 176.600 0.018 0.000 1.066 72 E CA 0.672 57.086 56.400 0.024 0.000 0.871 72 E CB -0.315 29.372 29.700 -0.021 0.000 0.863 72 E HN 0.810 nan 8.360 nan 0.000 0.520 73 G N 1.061 109.872 108.800 0.019 0.000 2.171 73 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.238 73 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.238 73 G C 0.252 175.163 174.900 0.019 0.000 1.039 73 G CA 0.329 45.444 45.100 0.026 0.000 0.759 73 G HN 0.152 nan 8.290 nan 0.000 0.501 74 V N 0.029 119.945 119.914 0.003 0.000 2.644 74 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 74 V C 0.622 176.750 176.094 0.057 0.000 1.053 74 V CA -0.296 62.013 62.300 0.015 0.000 0.987 74 V CB 1.762 33.572 31.823 -0.022 0.000 1.006 74 V HN 0.396 nan 8.190 nan 0.000 0.472 75 D N 2.966 123.423 120.400 0.096 0.000 2.317 75 D HA 0.285 4.925 4.640 -0.000 0.000 0.252 75 D C 0.279 176.688 176.300 0.182 0.000 1.174 75 D CA 0.060 54.141 54.000 0.135 0.000 0.866 75 D CB 0.620 41.516 40.800 0.159 0.000 1.127 75 D HN 0.420 nan 8.370 nan 0.000 0.467 76 L N 3.576 124.896 121.223 0.162 0.000 3.034 76 L HA 0.160 4.500 4.340 -0.000 0.000 0.245 76 L C 1.689 178.646 176.870 0.145 0.000 1.295 76 L CA -0.228 54.748 54.840 0.226 0.000 1.068 76 L CB 0.087 42.320 42.059 0.289 0.000 1.426 76 L HN 0.426 nan 8.230 nan 0.000 0.531 77 T N -1.169 113.408 114.554 0.037 0.000 2.759 77 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 77 T C 1.203 175.664 174.700 -0.398 0.000 1.042 77 T CA 1.477 63.469 62.100 -0.181 0.000 1.140 77 T CB -0.178 68.556 68.868 -0.223 0.000 0.864 77 T HN 0.385 nan 8.240 nan 0.000 0.455 78 H N -1.076 117.890 119.070 -0.175 0.000 2.475 78 H HA 0.361 4.917 4.556 -0.000 0.000 0.276 78 H C -0.753 174.549 175.328 -0.043 0.000 1.126 78 H CA -0.807 55.138 56.048 -0.172 0.000 1.023 78 H CB -0.195 29.351 29.762 -0.361 0.000 1.669 78 H HN 0.289 nan 8.280 nan 0.000 0.573 79 F N 2.081 122.031 119.950 0.000 0.000 2.480 79 F HA 0.564 5.091 4.527 -0.000 0.000 0.329 79 F C -0.292 175.539 175.800 0.051 0.000 1.091 79 F CA -0.838 57.184 58.000 0.037 0.000 0.972 79 F CB 1.346 40.432 39.000 0.142 0.000 1.150 79 F HN -0.028 nan 8.300 nan 0.000 0.467 80 R N 4.762 124.607 120.500 -1.091 0.000 2.687 80 R HA 0.359 4.699 4.340 -0.000 0.000 0.265 80 R C -1.871 174.002 176.300 -0.712 0.000 1.048 80 R CA -0.852 54.826 56.100 -0.703 0.000 0.884 80 R CB 1.433 31.568 30.300 -0.276 0.000 1.258 80 R HN 0.886 nan 8.270 nan 0.000 0.469 81 R N 1.496 121.771 120.500 -0.374 0.000 2.216 81 R HA 0.510 4.850 4.340 -0.000 0.000 0.332 81 R C -0.361 175.856 176.300 -0.139 0.000 1.056 81 R CA -0.005 55.974 56.100 -0.202 0.000 0.901 81 R CB 1.449 31.708 30.300 -0.070 0.000 1.039 81 R HN 0.612 nan 8.270 nan 0.000 0.456 82 A N 5.225 127.971 122.820 -0.124 0.000 2.346 82 A HA 0.675 4.995 4.320 -0.000 0.000 0.313 82 A C -2.460 175.097 177.584 -0.046 0.000 1.140 82 A CA -2.182 49.804 52.037 -0.085 0.000 0.826 82 A CB 0.967 19.907 19.000 -0.100 0.000 1.332 82 A HN 0.393 nan 8.150 nan 0.000 0.457 83 P HA 0.392 nan 4.420 nan 0.000 0.266 83 P C 0.585 177.888 177.300 0.006 0.000 1.193 83 P CA 2.023 65.122 63.100 -0.002 0.000 0.770 83 P CB 0.508 32.207 31.700 -0.001 0.000 0.836 84 G N 1.197 110.028 108.800 0.051 0.000 2.362 84 G HA2 0.155 4.115 3.960 -0.000 0.000 0.517 84 G HA3 0.155 4.115 3.960 -0.000 0.000 0.517 84 G C -1.348 173.653 174.900 0.168 0.000 1.256 84 G CA -0.487 44.670 45.100 0.095 0.000 1.027 84 G HN 0.532 nan 8.290 nan 0.000 0.491 85 F N -1.237 118.729 119.950 0.027 0.000 2.598 85 F HA 0.879 5.406 4.527 -0.000 0.000 0.327 85 F C 0.151 175.985 175.800 0.056 0.000 1.057 85 F CA -0.754 57.270 58.000 0.040 0.000 0.957 85 F CB 1.655 40.681 39.000 0.044 0.000 1.278 85 F HN 0.529 nan 8.300 nan 0.000 0.484 86 T N 1.644 116.304 114.554 0.178 0.000 2.771 86 T HA 0.518 4.868 4.350 -0.000 0.000 0.291 86 T C 0.440 175.262 174.700 0.203 0.000 0.954 86 T CA -0.269 61.886 62.100 0.091 0.000 1.045 86 T CB 0.984 69.935 68.868 0.138 0.000 0.917 86 T HN 1.024 nan 8.240 nan 0.000 0.484 87 G N 2.313 111.164 108.800 0.086 0.000 2.544 87 G HA2 0.518 4.478 3.960 -0.000 0.000 0.242 87 G HA3 0.518 4.478 3.960 -0.000 0.000 0.242 87 G C -0.591 174.483 174.900 0.291 0.000 1.247 87 G CA -0.418 44.825 45.100 0.237 0.000 0.840 87 G HN 0.714 nan 8.290 nan 0.000 0.578 88 L N -0.864 120.578 121.223 0.365 0.000 2.491 88 L HA 0.931 5.271 4.340 -0.000 0.000 0.254 88 L C -0.840 176.289 176.870 0.433 0.000 1.048 88 L CA -1.824 53.204 54.840 0.313 0.000 0.855 88 L CB 1.562 43.728 42.059 0.177 0.000 1.466 88 L HN 0.792 nan 8.230 nan 0.000 0.409 89 Y N -0.939 119.447 120.300 0.144 0.000 2.638 89 Y HA 0.866 5.416 4.550 -0.000 0.000 0.335 89 Y C -2.072 173.865 175.900 0.061 0.000 1.155 89 Y CA -1.715 56.425 58.100 0.067 0.000 1.046 89 Y CB 1.442 39.731 38.460 -0.286 0.000 1.303 89 Y HN 0.617 nan 8.280 nan 0.000 0.460 90 L N 3.544 124.869 121.223 0.171 0.000 2.343 90 L HA 0.670 5.010 4.340 -0.000 0.000 0.278 90 L C -0.254 176.756 176.870 0.234 0.000 0.996 90 L CA -0.747 54.164 54.840 0.120 0.000 0.831 90 L CB 1.783 43.975 42.059 0.222 0.000 1.232 90 L HN 0.646 nan 8.230 nan 0.000 0.413 91 R N 1.805 122.376 120.500 0.118 0.000 2.532 91 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 91 R C -0.467 175.959 176.300 0.210 0.000 1.032 91 R CA -0.517 55.707 56.100 0.206 0.000 1.089 91 R CB 1.368 31.807 30.300 0.231 0.000 1.098 91 R HN 0.581 nan 8.270 nan 0.000 0.526 92 E N 1.878 122.191 120.200 0.188 0.000 2.313 92 E HA 0.137 4.487 4.350 -0.000 0.000 0.280 92 E C -1.724 174.895 176.600 0.032 0.000 0.898 92 E CA -0.476 56.011 56.400 0.145 0.000 0.803 92 E CB 0.944 30.741 29.700 0.161 0.000 1.286 92 E HN 0.476 nan 8.360 nan 0.000 0.401 93 Y N 3.638 123.929 120.300 -0.014 0.000 2.331 93 Y HA 0.365 4.915 4.550 -0.000 0.000 0.338 93 Y C 0.178 176.040 175.900 -0.064 0.000 0.976 93 Y CA -0.441 57.638 58.100 -0.035 0.000 1.137 93 Y CB 1.281 39.728 38.460 -0.022 0.000 1.172 93 Y HN 0.471 nan 8.280 nan 0.000 0.478 94 L N 6.370 127.549 121.223 -0.072 0.000 2.395 94 L HA 0.231 4.571 4.340 -0.000 0.000 0.269 94 L C -1.287 175.579 176.870 -0.007 0.000 1.133 94 L CA -1.714 53.069 54.840 -0.095 0.000 0.812 94 L CB 1.021 42.972 42.059 -0.180 0.000 1.125 94 L HN 0.467 nan 8.230 nan 0.000 0.452 95 P HA -0.225 nan 4.420 nan 0.000 0.220 95 P C 0.959 178.275 177.300 0.026 0.000 1.155 95 P CA 1.574 64.687 63.100 0.022 0.000 0.880 95 P CB 0.129 31.843 31.700 0.022 0.000 0.790 96 L N -3.035 118.196 121.223 0.013 0.000 2.728 96 L HA 0.322 4.662 4.340 -0.000 0.000 0.235 96 L C 1.599 178.479 176.870 0.016 0.000 1.197 96 L CA 0.447 55.296 54.840 0.016 0.000 0.992 96 L CB -0.680 41.386 42.059 0.011 0.000 1.263 96 L HN 0.201 nan 8.230 nan 0.000 0.484 97 G N -0.417 108.401 108.800 0.030 0.000 2.358 97 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.224 97 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.224 97 G C 0.392 175.264 174.900 -0.048 0.000 1.073 97 G CA -0.441 44.684 45.100 0.043 0.000 0.635 97 G HN 0.441 nan 8.290 nan 0.000 0.509 98 Q N 1.699 121.448 119.800 -0.086 0.000 2.239 98 Q HA 0.453 4.793 4.340 -0.000 0.000 0.286 98 Q C 0.840 176.672 176.000 -0.279 0.000 1.102 98 Q CA 0.414 56.127 55.803 -0.149 0.000 0.936 98 Q CB 0.830 29.509 28.738 -0.098 0.000 1.127 98 Q HN 0.610 nan 8.270 nan 0.000 0.380 99 G N 2.348 110.890 108.800 -0.430 0.000 2.705 99 G HA2 0.725 4.685 3.960 -0.000 0.000 0.299 99 G HA3 0.725 4.685 3.960 -0.000 0.000 0.299 99 G C -0.987 173.701 174.900 -0.353 0.000 1.315 99 G CA -0.640 44.097 45.100 -0.604 0.000 1.045 99 G HN 0.562 nan 8.290 nan 0.000 0.517 100 R N -1.202 119.115 120.500 -0.305 0.000 2.633 100 R HA 0.452 4.792 4.340 -0.000 0.000 0.256 100 R C -2.041 174.079 176.300 -0.299 0.000 1.131 100 R CA -0.444 55.487 56.100 -0.281 0.000 0.994 100 R CB 1.927 32.067 30.300 -0.267 0.000 1.261 100 R HN 0.451 nan 8.270 nan 0.000 0.446 101 V N 4.623 124.316 119.914 -0.368 0.000 2.581 101 V HA 0.609 4.729 4.120 -0.000 0.000 0.303 101 V C -0.942 174.832 176.094 -0.534 0.000 1.041 101 V CA -0.533 61.577 62.300 -0.317 0.000 0.907 101 V CB 1.696 33.358 31.823 -0.268 0.000 0.994 101 V HN 0.545 nan 8.190 nan 0.000 0.442 102 F N 3.469 123.390 119.950 -0.048 0.000 2.449 102 F HA 0.619 5.146 4.527 -0.000 0.000 0.342 102 F C -0.337 175.461 175.800 -0.004 0.000 1.127 102 F CA -0.642 57.369 58.000 0.019 0.000 0.975 102 F CB 1.116 40.188 39.000 0.120 0.000 1.146 102 F HN 0.334 nan 8.300 nan 0.000 0.444 103 Y N 1.693 122.080 120.300 0.145 0.000 2.376 103 Y HA 0.467 5.017 4.550 -0.000 0.000 0.325 103 Y C -0.713 175.137 175.900 -0.082 0.000 1.199 103 Y CA -0.816 57.364 58.100 0.133 0.000 1.206 103 Y CB 1.165 39.638 38.460 0.023 0.000 1.229 103 Y HN 0.457 nan 8.280 nan 0.000 0.480 104 Y N 1.754 122.275 120.300 0.368 0.000 2.529 104 Y HA 0.293 4.843 4.550 -0.000 0.000 0.319 104 Y C 0.363 176.480 175.900 0.362 0.000 1.063 104 Y CA -0.718 57.555 58.100 0.287 0.000 1.178 104 Y CB 0.612 39.196 38.460 0.208 0.000 1.123 104 Y HN 0.604 nan 8.280 nan 0.000 0.625 105 R N -0.913 119.821 120.500 0.390 0.000 2.582 105 R HA 0.232 4.572 4.340 -0.000 0.000 0.285 105 R C 0.108 176.511 176.300 0.172 0.000 0.940 105 R CA -0.603 55.675 56.100 0.295 0.000 1.072 105 R CB 0.375 30.800 30.300 0.208 0.000 1.527 105 R HN 0.100 nan 8.270 nan 0.000 0.538 106 K N 1.851 122.357 120.400 0.178 0.000 2.472 106 K HA 0.105 4.425 4.320 -0.000 0.000 0.280 106 K C 0.561 177.267 176.600 0.177 0.000 1.028 106 K CA 1.569 57.922 56.287 0.110 0.000 1.045 106 K CB 0.223 32.770 32.500 0.078 0.000 0.902 106 K HN 0.435 nan 8.250 nan 0.000 0.478 107 G N 2.680 111.513 108.800 0.056 0.000 2.143 107 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 107 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 107 G C -0.016 174.805 174.900 -0.131 0.000 0.991 107 G CA 0.384 45.515 45.100 0.051 0.000 0.689 107 G HN 0.861 nan 8.290 nan 0.000 0.522 108 S N -0.704 114.759 115.700 -0.395 0.000 2.614 108 S HA 0.719 5.189 4.470 -0.000 0.000 0.265 108 S C 1.801 176.134 174.600 -0.446 0.000 1.303 108 S CA 0.458 58.129 58.200 -0.882 0.000 1.000 108 S CB 1.759 64.543 63.200 -0.693 0.000 0.935 108 S HN 1.658 nan 8.310 nan 0.000 0.551 109 A N 1.528 124.099 122.820 -0.414 0.000 1.972 109 A HA 0.147 4.467 4.320 -0.000 0.000 0.219 109 A C 2.106 179.597 177.584 -0.156 0.000 1.169 109 A CA 1.488 53.401 52.037 -0.207 0.000 0.635 109 A CB -1.624 17.288 19.000 -0.148 0.000 0.810 109 A HN 1.121 nan 8.150 nan 0.000 0.446 110 G N -0.307 108.407 108.800 -0.143 0.000 2.511 110 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 110 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 110 G C 1.571 176.412 174.900 -0.099 0.000 1.133 110 G CA 1.177 46.234 45.100 -0.073 0.000 0.792 110 G HN 0.764 nan 8.290 nan 0.000 0.539 111 S N 0.393 116.018 115.700 -0.125 0.000 2.603 111 S HA 0.446 4.915 4.470 -0.000 0.000 0.220 111 S C 2.182 176.713 174.600 -0.116 0.000 0.967 111 S CA 0.729 58.859 58.200 -0.116 0.000 0.920 111 S CB 0.391 63.524 63.200 -0.111 0.000 0.773 111 S HN 0.432 nan 8.310 nan 0.000 0.529 112 A N 2.120 124.864 122.820 -0.126 0.000 1.897 112 A HA 0.295 4.615 4.320 -0.000 0.000 0.215 112 A C 1.036 178.533 177.584 -0.145 0.000 1.181 112 A CA 0.088 52.054 52.037 -0.117 0.000 0.620 112 A CB -0.763 18.169 19.000 -0.113 0.000 0.821 112 A HN 0.544 nan 8.150 nan 0.000 0.443 113 L N -0.298 120.791 121.223 -0.224 0.000 4.017 113 L HA -0.121 4.219 4.340 -0.000 0.000 0.482 113 L C 0.437 177.157 176.870 -0.250 0.000 1.045 113 L CA 0.378 54.979 54.840 -0.399 0.000 0.650 113 L CB -0.700 40.977 42.059 -0.637 0.000 0.973 113 L HN 0.565 nan 8.230 nan 0.000 0.913 114 A N 5.994 128.726 122.820 -0.147 0.000 2.532 114 A HA 0.822 5.142 4.320 -0.000 0.000 0.290 114 A C -2.631 175.063 177.584 0.183 0.000 1.143 114 A CA -1.554 50.514 52.037 0.052 0.000 0.728 114 A CB 1.518 20.495 19.000 -0.038 0.000 1.317 114 A HN 0.447 nan 8.150 nan 0.000 0.414 115 P HA 0.283 nan 4.420 nan 0.000 0.260 115 P C 0.810 177.507 177.300 -1.004 0.000 1.185 115 P CA 2.415 65.148 63.100 -0.612 0.000 0.763 115 P CB 0.395 31.770 31.700 -0.542 0.000 0.776 116 G N 3.407 111.109 108.800 -1.830 0.000 2.144 116 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 116 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 116 G C 1.085 175.749 174.900 -0.394 0.000 0.988 116 G CA 0.134 44.590 45.100 -1.075 0.000 0.659 116 G HN 0.621 nan 8.290 nan 0.000 0.522 117 A N -0.705 122.065 122.820 -0.083 0.000 2.131 117 A HA 0.454 4.774 4.320 -0.000 0.000 0.220 117 A C 0.866 178.537 177.584 0.144 0.000 1.158 117 A CA 1.960 54.049 52.037 0.088 0.000 0.665 117 A CB -0.458 18.614 19.000 0.120 0.000 0.795 117 A HN 1.923 nan 8.150 nan 0.000 0.460 118 F N -3.089 116.892 119.950 0.052 0.000 2.686 118 F HA 0.577 5.104 4.527 -0.000 0.000 0.311 118 F C -1.100 174.570 175.800 -0.216 0.000 1.128 118 F CA -1.898 55.892 58.000 -0.348 0.000 0.946 118 F CB 0.437 39.174 39.000 -0.438 0.000 1.336 118 F HN -0.087 nan 8.300 nan 0.000 0.457 119 D N 2.961 123.152 120.400 -0.348 0.000 2.346 119 D HA 0.340 4.980 4.640 -0.000 0.000 0.260 119 D C -1.954 174.485 176.300 0.233 0.000 1.252 119 D CA -1.874 52.139 54.000 0.022 0.000 0.895 119 D CB 1.355 42.304 40.800 0.249 0.000 1.097 119 D HN 0.252 nan 8.370 nan 0.000 0.489 120 P HA -0.152 nan 4.420 nan 0.000 0.216 120 P C 0.490 177.941 177.300 0.252 0.000 1.150 120 P CA 0.921 64.062 63.100 0.067 0.000 0.843 120 P CB 0.164 31.854 31.700 -0.017 0.000 0.787 121 D N -2.399 118.141 120.400 0.233 0.000 2.403 121 D HA -0.169 4.471 4.640 -0.000 0.000 0.227 121 D C 1.506 177.990 176.300 0.307 0.000 0.995 121 D CA 0.675 54.805 54.000 0.216 0.000 0.928 121 D CB -0.416 40.489 40.800 0.175 0.000 0.887 121 D HN 0.366 nan 8.370 nan 0.000 0.529 122 Y N 0.718 121.197 120.300 0.297 0.000 2.263 122 Y HA -0.048 4.502 4.550 -0.000 0.000 0.292 122 Y C 1.961 177.968 175.900 0.178 0.000 1.130 122 Y CA 0.707 58.980 58.100 0.289 0.000 1.179 122 Y CB 0.100 38.831 38.460 0.452 0.000 0.998 122 Y HN -0.111 nan 8.280 nan 0.000 0.532 123 L N 1.030 122.410 121.223 0.263 0.000 2.650 123 L HA -0.004 4.336 4.340 -0.000 0.000 0.235 123 L C 0.029 176.914 176.870 0.025 0.000 1.149 123 L CA 0.241 55.131 54.840 0.083 0.000 0.887 123 L CB -0.438 41.700 42.059 0.131 0.000 1.021 123 L HN 0.159 nan 8.230 nan 0.000 0.441 124 E N 0.775 121.000 120.200 0.042 0.000 2.299 124 E HA 0.188 4.538 4.350 -0.000 0.000 0.272 124 E C 1.089 177.685 176.600 -0.007 0.000 1.043 124 E CA 0.502 56.916 56.400 0.023 0.000 0.895 124 E CB 0.735 30.463 29.700 0.046 0.000 1.011 124 E HN 0.328 nan 8.360 nan 0.000 0.432 125 G N 2.327 111.121 108.800 -0.011 0.000 2.184 125 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 125 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 125 G C 0.404 175.292 174.900 -0.020 0.000 0.975 125 G CA 0.129 45.221 45.100 -0.013 0.000 0.642 125 G HN 0.432 nan 8.290 nan 0.000 0.536 126 V N 0.671 120.564 119.914 -0.035 0.000 2.614 126 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 126 V C 1.829 177.914 176.094 -0.014 0.000 1.049 126 V CA 0.184 62.465 62.300 -0.031 0.000 1.038 126 V CB 1.416 33.203 31.823 -0.059 0.000 0.980 126 V HN 0.326 nan 8.190 nan 0.000 0.481 127 R N 2.943 123.473 120.500 0.050 0.000 2.075 127 R HA 0.061 4.401 4.340 -0.000 0.000 0.230 127 R C -0.016 176.280 176.300 -0.006 0.000 1.140 127 R CA 1.711 57.876 56.100 0.109 0.000 0.928 127 R CB -0.114 30.378 30.300 0.320 0.000 0.834 127 R HN 0.582 nan 8.270 nan 0.000 0.429 128 F N -1.990 117.964 119.950 0.006 0.000 2.620 128 F HA 0.449 4.976 4.527 -0.000 0.000 0.320 128 F C -0.950 174.874 175.800 0.039 0.000 1.069 128 F CA -1.377 56.643 58.000 0.035 0.000 0.953 128 F CB 1.394 40.429 39.000 0.059 0.000 1.322 128 F HN -0.185 nan 8.300 nan 0.000 0.479 129 L N 1.994 123.368 121.223 0.251 0.000 2.372 129 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 129 L C -1.497 175.527 176.870 0.257 0.000 0.988 129 L CA -0.269 54.678 54.840 0.178 0.000 0.833 129 L CB 0.902 43.012 42.059 0.084 0.000 1.236 129 L HN 0.653 nan 8.230 nan 0.000 0.410 130 H N 4.918 124.076 119.070 0.146 0.000 2.457 130 H HA 0.821 5.377 4.556 -0.000 0.000 0.335 130 H C -1.555 173.860 175.328 0.145 0.000 1.115 130 H CA -0.405 55.730 56.048 0.145 0.000 1.219 130 H CB 1.163 30.978 29.762 0.089 0.000 1.471 130 H HN 0.713 nan 8.280 nan 0.000 0.491 131 L N 3.096 123.986 121.223 -0.555 0.000 2.424 131 L HA 0.455 4.795 4.340 -0.000 0.000 0.258 131 L C -0.539 176.066 176.870 -0.441 0.000 0.995 131 L CA -1.044 53.580 54.840 -0.359 0.000 0.821 131 L CB 2.325 44.377 42.059 -0.012 0.000 1.383 131 L HN 0.747 nan 8.230 nan 0.000 0.410 132 S N -0.796 114.781 115.700 -0.206 0.000 2.568 132 S HA 0.491 4.961 4.470 -0.000 0.000 0.302 132 S C 0.795 175.372 174.600 -0.039 0.000 1.082 132 S CA -0.073 58.084 58.200 -0.072 0.000 1.009 132 S CB 1.741 64.925 63.200 -0.027 0.000 1.069 132 S HN 0.807 nan 8.310 nan 0.000 0.500 133 G N 0.786 109.587 108.800 0.002 0.000 2.708 133 G HA2 0.020 3.979 3.960 -0.000 0.000 0.210 133 G HA3 0.020 3.979 3.960 -0.000 0.000 0.210 133 G C 0.898 175.593 174.900 -0.341 0.000 1.141 133 G CA 0.385 45.437 45.100 -0.080 0.000 0.788 133 G HN 0.754 nan 8.290 nan 0.000 0.531 134 I N 0.339 120.751 120.570 -0.263 0.000 2.333 134 I HA -0.103 4.067 4.170 -0.000 0.000 0.246 134 I C 2.893 178.798 176.117 -0.353 0.000 1.106 134 I CA 0.998 62.091 61.300 -0.345 0.000 1.411 134 I CB -0.503 37.369 38.000 -0.214 0.000 1.082 134 I HN 0.029 nan 8.210 nan 0.000 0.420 135 T N 2.328 116.748 114.554 -0.223 0.000 2.595 135 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 135 T C -0.361 174.212 174.700 -0.212 0.000 1.058 135 T CA 1.919 63.928 62.100 -0.152 0.000 1.166 135 T CB -1.472 67.389 68.868 -0.012 0.000 0.863 135 T HN 0.301 nan 8.240 nan 0.000 0.415 136 P HA -0.012 nan 4.420 nan 0.000 0.219 136 P C 1.120 178.167 177.300 -0.422 0.000 1.146 136 P CA 1.300 64.218 63.100 -0.304 0.000 0.808 136 P CB -0.150 31.155 31.700 -0.658 0.000 0.779 137 A N -0.557 121.756 122.820 -0.845 0.000 2.168 137 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 137 A C 2.337 179.653 177.584 -0.447 0.000 1.152 137 A CA 0.581 52.013 52.037 -1.008 0.000 0.716 137 A CB -1.273 16.743 19.000 -1.641 0.000 0.794 137 A HN 0.136 nan 8.150 nan 0.000 0.465 138 L N -0.305 120.723 121.223 -0.326 0.000 2.023 138 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 138 L C 1.252 178.054 176.870 -0.114 0.000 1.073 138 L CA 1.223 55.939 54.840 -0.208 0.000 0.745 138 L CB -0.341 41.613 42.059 -0.176 0.000 0.900 138 L HN 0.577 nan 8.230 nan 0.000 0.435 139 S N -3.711 111.948 115.700 -0.069 0.000 2.625 139 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 139 S C -2.450 172.171 174.600 0.034 0.000 1.161 139 S CA -1.111 57.080 58.200 -0.015 0.000 0.820 139 S CB 1.482 64.667 63.200 -0.024 0.000 1.137 139 S HN -0.277 nan 8.310 nan 0.000 0.470 140 P HA 0.025 nan 4.420 nan 0.000 0.218 140 P C 0.898 178.251 177.300 0.089 0.000 1.149 140 P CA 1.154 64.303 63.100 0.082 0.000 0.817 140 P CB 0.081 31.819 31.700 0.062 0.000 0.785 141 E N -0.317 119.918 120.200 0.059 0.000 2.047 141 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 141 E C 2.162 178.834 176.600 0.120 0.000 0.987 141 E CA 1.436 57.874 56.400 0.064 0.000 0.799 141 E CB -1.198 28.509 29.700 0.013 0.000 0.752 141 E HN 0.086 nan 8.360 nan 0.000 0.449 142 A N 0.866 123.734 122.820 0.079 0.000 1.933 142 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 142 A C 2.156 179.874 177.584 0.224 0.000 1.175 142 A CA 1.796 53.898 52.037 0.110 0.000 0.628 142 A CB -0.478 18.517 19.000 -0.008 0.000 0.814 142 A HN 0.150 nan 8.150 nan 0.000 0.444 143 R N -0.356 120.252 120.500 0.180 0.000 2.092 143 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 143 R C 2.220 178.731 176.300 0.351 0.000 1.119 143 R CA 1.428 57.691 56.100 0.270 0.000 0.970 143 R CB -0.389 30.082 30.300 0.285 0.000 0.864 143 R HN 0.412 nan 8.270 nan 0.000 0.440 144 A N 0.581 123.565 122.820 0.274 0.000 1.898 144 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 144 A C 1.967 179.737 177.584 0.309 0.000 1.181 144 A CA 1.160 53.344 52.037 0.244 0.000 0.620 144 A CB -0.788 18.309 19.000 0.162 0.000 0.819 144 A HN 0.543 nan 8.150 nan 0.000 0.442 145 F N 1.699 121.769 119.950 0.200 0.000 2.069 145 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 145 F C 2.519 178.548 175.800 0.382 0.000 1.113 145 F CA 2.116 60.298 58.000 0.303 0.000 1.214 145 F CB -0.513 38.612 39.000 0.207 0.000 0.978 145 F HN 0.214 nan 8.300 nan 0.000 0.474 146 S N 1.492 117.437 115.700 0.409 0.000 2.368 146 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 146 S C 2.071 176.758 174.600 0.145 0.000 1.044 146 S CA 2.014 60.383 58.200 0.282 0.000 1.062 146 S CB -0.933 62.521 63.200 0.423 0.000 0.931 146 S HN 0.443 nan 8.310 nan 0.000 0.440 147 L N -0.456 120.899 121.223 0.221 0.000 2.012 147 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 147 L C 2.397 179.290 176.870 0.037 0.000 1.073 147 L CA 1.693 56.600 54.840 0.112 0.000 0.748 147 L CB -0.564 41.575 42.059 0.133 0.000 0.891 147 L HN 0.479 nan 8.230 nan 0.000 0.431 148 W N 1.037 122.274 121.300 -0.104 0.000 2.335 148 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 148 W C 2.522 178.897 176.519 -0.241 0.000 1.213 148 W CA 1.789 59.032 57.345 -0.170 0.000 1.274 148 W CB -0.390 28.951 29.460 -0.199 0.000 1.148 148 W HN 0.119 nan 8.180 nan 0.000 0.498 149 A N 1.735 124.134 122.820 -0.702 0.000 1.859 149 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 149 A C 2.167 179.444 177.584 -0.512 0.000 1.198 149 A CA 2.967 54.472 52.037 -0.888 0.000 0.629 149 A CB -1.374 17.258 19.000 -0.614 0.000 0.830 149 A HN 0.567 nan 8.150 nan 0.000 0.446 150 M N -0.893 118.546 119.600 -0.268 0.000 2.549 150 M HA -0.026 4.454 4.480 -0.000 0.000 0.260 150 M C 1.633 177.825 176.300 -0.180 0.000 1.076 150 M CA 2.056 57.262 55.300 -0.158 0.000 1.090 150 M CB -0.558 32.007 32.600 -0.057 0.000 1.418 150 M HN 0.617 nan 8.290 nan 0.000 0.486 151 E N 1.560 121.608 120.200 -0.253 0.000 2.122 151 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 151 E C 1.470 177.923 176.600 -0.246 0.000 0.977 151 E CA 1.086 57.364 56.400 -0.204 0.000 0.820 151 E CB 0.046 29.650 29.700 -0.161 0.000 0.770 151 E HN 0.562 nan 8.360 nan 0.000 0.462 152 E N 0.455 120.403 120.200 -0.420 0.000 2.274 152 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 152 E C 1.639 178.106 176.600 -0.222 0.000 0.996 152 E CA 1.036 57.217 56.400 -0.366 0.000 0.840 152 E CB 0.000 29.321 29.700 -0.632 0.000 0.772 152 E HN 0.391 nan 8.360 nan 0.000 0.491 153 A N 0.823 123.518 122.820 -0.207 0.000 1.854 153 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 153 A C 1.891 179.412 177.584 -0.105 0.000 1.192 153 A CA 1.289 53.255 52.037 -0.119 0.000 0.611 153 A CB -0.241 18.701 19.000 -0.098 0.000 0.832 153 A HN 0.076 nan 8.150 nan 0.000 0.442 154 K N -0.785 119.549 120.400 -0.110 0.000 2.147 154 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 154 K C 1.950 178.503 176.600 -0.079 0.000 1.049 154 K CA 0.898 57.130 56.287 -0.091 0.000 0.936 154 K CB -0.150 32.301 32.500 -0.082 0.000 0.722 154 K HN 0.116 nan 8.250 nan 0.000 0.446 155 R N 0.926 121.376 120.500 -0.084 0.000 2.280 155 R HA -0.027 4.313 4.340 -0.000 0.000 0.207 155 R C 1.520 177.789 176.300 -0.052 0.000 1.043 155 R CA 0.822 56.884 56.100 -0.064 0.000 1.006 155 R CB -0.142 30.119 30.300 -0.065 0.000 0.885 155 R HN 0.037 nan 8.270 nan 0.000 0.467 156 R N -0.783 119.682 120.500 -0.058 0.000 2.468 156 R HA 0.141 4.481 4.340 -0.000 0.000 0.280 156 R C 0.298 176.568 176.300 -0.050 0.000 0.963 156 R CA 0.651 56.725 56.100 -0.042 0.000 1.083 156 R CB 0.238 30.519 30.300 -0.030 0.000 1.200 156 R HN 0.226 nan 8.270 nan 0.000 0.541 157 G N 0.388 109.150 108.800 -0.063 0.000 2.221 157 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 157 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 157 G C -0.371 174.464 174.900 -0.108 0.000 1.041 157 G CA 0.415 45.470 45.100 -0.075 0.000 0.807 157 G HN 0.176 nan 8.290 nan 0.000 0.502 158 V N 2.494 122.339 119.914 -0.115 0.000 2.350 158 V HA 0.416 4.536 4.120 -0.000 0.000 0.276 158 V C 0.974 176.947 176.094 -0.202 0.000 1.028 158 V CA -1.262 60.948 62.300 -0.151 0.000 0.860 158 V CB 1.138 32.906 31.823 -0.092 0.000 0.990 158 V HN 0.432 nan 8.190 nan 0.000 0.453 159 R N 3.610 123.881 120.500 -0.383 0.000 2.623 159 R HA 0.263 4.603 4.340 -0.000 0.000 0.271 159 R C -0.562 175.620 176.300 -0.197 0.000 1.043 159 R CA -0.244 55.596 56.100 -0.433 0.000 1.083 159 R CB 0.317 29.983 30.300 -1.058 0.000 0.974 159 R HN 0.410 nan 8.270 nan 0.000 0.436 160 V N 1.880 121.776 119.914 -0.030 0.000 2.370 160 V HA 0.149 4.268 4.120 -0.000 0.000 0.279 160 V C 0.414 176.650 176.094 0.237 0.000 1.029 160 V CA -0.391 61.967 62.300 0.097 0.000 0.870 160 V CB 1.572 33.425 31.823 0.050 0.000 0.984 160 V HN 0.810 nan 8.190 nan 0.000 0.451 161 S N 5.545 121.464 115.700 0.365 0.000 2.437 161 S HA 0.774 5.244 4.470 -0.000 0.000 0.305 161 S C -1.041 173.842 174.600 0.472 0.000 1.109 161 S CA -0.508 57.989 58.200 0.495 0.000 1.099 161 S CB 1.004 64.573 63.200 0.616 0.000 1.004 161 S HN 0.595 nan 8.310 nan 0.000 0.475 162 L N 4.272 125.773 121.223 0.463 0.000 2.410 162 L HA 0.683 5.023 4.340 -0.000 0.000 0.270 162 L C -1.443 175.733 176.870 0.511 0.000 0.983 162 L CA -0.250 54.815 54.840 0.375 0.000 0.822 162 L CB 2.170 44.391 42.059 0.270 0.000 1.285 162 L HN 0.611 nan 8.230 nan 0.000 0.409 163 D N 3.484 124.141 120.400 0.429 0.000 2.460 163 D HA 0.263 4.903 4.640 -0.000 0.000 0.232 163 D C 1.113 177.578 176.300 0.276 0.000 1.079 163 D CA -0.264 53.983 54.000 0.413 0.000 0.864 163 D CB 1.474 42.485 40.800 0.350 0.000 1.048 163 D HN 0.378 nan 8.370 nan 0.000 0.523 164 V N 3.610 123.696 119.914 0.287 0.000 2.242 164 V HA -0.356 3.764 4.120 -0.000 0.000 0.257 164 V C 1.416 177.646 176.094 0.226 0.000 1.073 164 V CA 1.911 64.374 62.300 0.272 0.000 1.058 164 V CB -0.841 31.141 31.823 0.265 0.000 0.664 164 V HN 0.900 nan 8.190 nan 0.000 0.451 165 N N -0.134 118.681 118.700 0.192 0.000 2.669 165 N HA -0.277 4.462 4.740 -0.000 0.000 0.266 165 N C -0.575 174.998 175.510 0.104 0.000 1.024 165 N CA 0.566 53.688 53.050 0.120 0.000 0.766 165 N CB -1.170 37.356 38.487 0.065 0.000 0.898 165 N HN 0.690 nan 8.380 nan 0.000 0.548 166 Y N 1.765 122.105 120.300 0.067 0.000 2.465 166 Y HA 0.302 4.852 4.550 -0.000 0.000 0.331 166 Y C 0.319 176.221 175.900 0.004 0.000 1.102 166 Y CA -0.075 58.074 58.100 0.082 0.000 1.358 166 Y CB 0.551 39.099 38.460 0.146 0.000 1.213 166 Y HN 0.095 nan 8.280 nan 0.000 0.525 167 R N 6.319 126.340 120.500 -0.799 0.000 2.360 167 R HA 0.149 4.489 4.340 -0.000 0.000 0.318 167 R C 0.667 176.411 176.300 -0.927 0.000 0.950 167 R CA -0.427 55.233 56.100 -0.733 0.000 0.837 167 R CB 1.558 31.552 30.300 -0.510 0.000 1.165 167 R HN 0.937 nan 8.270 nan 0.000 0.458 168 Q N 0.337 119.692 119.800 -0.742 0.000 2.226 168 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 168 Q C 0.871 176.746 176.000 -0.208 0.000 0.975 168 Q CA 1.764 57.345 55.803 -0.370 0.000 0.866 168 Q CB 0.249 28.913 28.738 -0.123 0.000 0.915 168 Q HN 0.553 nan 8.270 nan 0.000 0.440 169 T N 1.196 115.593 114.554 -0.262 0.000 2.821 169 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 169 T C 1.912 176.473 174.700 -0.231 0.000 1.046 169 T CA 0.767 62.733 62.100 -0.223 0.000 1.139 169 T CB -0.074 68.626 68.868 -0.281 0.000 0.871 169 T HN 0.168 nan 8.240 nan 0.000 0.454 170 L N -0.993 120.037 121.223 -0.322 0.000 2.049 170 L HA 0.162 4.502 4.340 -0.000 0.000 0.203 170 L C 0.977 177.797 176.870 -0.083 0.000 1.074 170 L CA 0.568 55.218 54.840 -0.316 0.000 0.749 170 L CB -0.131 41.589 42.059 -0.564 0.000 0.907 170 L HN 0.488 nan 8.230 nan 0.000 0.439 171 W N -1.390 119.841 121.300 -0.116 0.000 3.042 171 W HA 0.550 5.210 4.660 -0.000 0.000 0.342 171 W C -0.444 176.131 176.519 0.093 0.000 1.240 171 W CA -2.109 55.228 57.345 -0.013 0.000 1.166 171 W CB -0.111 29.354 29.460 0.008 0.000 1.469 171 W HN -0.089 nan 8.180 nan 0.000 0.579 172 S N 0.223 116.115 115.700 0.320 0.000 2.603 172 S HA 0.419 4.889 4.470 -0.000 0.000 0.268 172 S C -1.814 172.815 174.600 0.049 0.000 1.317 172 S CA -0.646 57.664 58.200 0.184 0.000 1.012 172 S CB 1.707 64.934 63.200 0.045 0.000 0.926 172 S HN 0.337 nan 8.310 nan 0.000 0.539 173 P HA -0.137 nan 4.420 nan 0.000 0.216 173 P C 0.941 178.020 177.300 -0.369 0.000 1.150 173 P CA 1.494 64.399 63.100 -0.327 0.000 0.843 173 P CB -0.022 31.508 31.700 -0.284 0.000 0.787 174 E N -0.281 119.757 120.200 -0.269 0.000 2.047 174 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 174 E C 1.982 178.379 176.600 -0.338 0.000 0.987 174 E CA 1.065 57.307 56.400 -0.263 0.000 0.799 174 E CB -0.731 28.867 29.700 -0.170 0.000 0.752 174 E HN 0.371 nan 8.360 nan 0.000 0.449 175 E N 0.500 120.459 120.200 -0.402 0.000 2.153 175 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 175 E C 2.018 177.942 176.600 -1.127 0.000 0.988 175 E CA 0.917 56.967 56.400 -0.583 0.000 0.811 175 E CB -0.132 29.302 29.700 -0.443 0.000 0.746 175 E HN 0.301 nan 8.360 nan 0.000 0.466 176 A N 1.323 123.369 122.820 -1.290 0.000 1.873 176 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 176 A C 2.039 179.401 177.584 -0.370 0.000 1.186 176 A CA 1.210 52.626 52.037 -1.035 0.000 0.616 176 A CB -0.304 18.523 19.000 -0.288 0.000 0.823 176 A HN 0.072 nan 8.150 nan 0.000 0.442 177 R N -0.700 119.586 120.500 -0.356 0.000 2.081 177 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 177 R C 2.364 178.593 176.300 -0.120 0.000 1.131 177 R CA 1.079 57.050 56.100 -0.215 0.000 0.960 177 R CB -0.696 29.403 30.300 -0.334 0.000 0.856 177 R HN 0.516 nan 8.270 nan 0.000 0.436 178 G N 0.914 109.602 108.800 -0.188 0.000 2.440 178 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 178 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 178 G C 1.201 176.066 174.900 -0.058 0.000 1.154 178 G CA 0.588 45.617 45.100 -0.120 0.000 0.767 178 G HN 0.253 nan 8.290 nan 0.000 0.552 179 F N 1.363 121.183 119.950 -0.218 0.000 2.039 179 F HA 0.030 4.557 4.527 -0.000 0.000 0.294 179 F C 2.591 178.407 175.800 0.026 0.000 1.130 179 F CA 1.316 59.278 58.000 -0.064 0.000 1.189 179 F CB -0.484 38.509 39.000 -0.011 0.000 0.983 179 F HN 0.051 nan 8.300 nan 0.000 0.471 180 L N 0.333 121.628 121.223 0.120 0.000 2.021 180 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 180 L C 2.522 179.368 176.870 -0.039 0.000 1.074 180 L CA 2.165 57.048 54.840 0.071 0.000 0.760 180 L CB -1.189 40.996 42.059 0.211 0.000 0.889 180 L HN 0.289 nan 8.230 nan 0.000 0.433 181 E N 0.175 120.369 120.200 -0.010 0.000 2.171 181 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 181 E C 2.365 178.918 176.600 -0.079 0.000 0.997 181 E CA 1.272 57.659 56.400 -0.021 0.000 0.810 181 E CB 0.085 29.781 29.700 -0.008 0.000 0.738 181 E HN 0.358 nan 8.360 nan 0.000 0.467 182 R N -0.707 119.705 120.500 -0.147 0.000 2.128 182 R HA 0.076 4.416 4.340 -0.000 0.000 0.211 182 R C 2.085 178.248 176.300 -0.229 0.000 1.067 182 R CA 0.884 56.882 56.100 -0.170 0.000 1.010 182 R CB -0.017 30.181 30.300 -0.170 0.000 0.922 182 R HN 0.118 nan 8.270 nan 0.000 0.457 183 A N 1.344 123.934 122.820 -0.383 0.000 1.935 183 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 183 A C 1.937 179.425 177.584 -0.159 0.000 1.178 183 A CA 0.578 52.404 52.037 -0.351 0.000 0.640 183 A CB -0.490 18.126 19.000 -0.639 0.000 0.825 183 A HN 0.334 nan 8.150 nan 0.000 0.447 184 L N 0.775 121.930 121.223 -0.113 0.000 2.082 184 L HA -0.211 4.129 4.340 -0.000 0.000 0.223 184 L C -0.683 176.161 176.870 -0.044 0.000 1.086 184 L CA 2.996 57.807 54.840 -0.048 0.000 0.793 184 L CB -1.517 40.520 42.059 -0.038 0.000 0.896 184 L HN 0.195 nan 8.230 nan 0.000 0.441 185 P HA -0.129 nan 4.420 nan 0.000 0.217 185 P C 1.301 178.577 177.300 -0.041 0.000 1.151 185 P CA 1.968 65.040 63.100 -0.048 0.000 0.849 185 P CB -0.372 31.297 31.700 -0.053 0.000 0.787 186 G N -1.532 107.240 108.800 -0.046 0.000 3.042 186 G HA2 0.108 4.068 3.960 -0.000 0.000 0.212 186 G HA3 0.108 4.068 3.960 -0.000 0.000 0.212 186 G C 0.177 175.066 174.900 -0.017 0.000 1.166 186 G CA -0.036 45.040 45.100 -0.040 0.000 0.767 186 G HN 0.140 nan 8.290 nan 0.000 0.546 187 V N 0.993 120.906 119.914 -0.002 0.000 2.530 187 V HA 0.220 4.340 4.120 -0.000 0.000 0.282 187 V C 0.439 176.552 176.094 0.031 0.000 1.048 187 V CA -0.030 62.291 62.300 0.034 0.000 0.997 187 V CB 1.578 33.429 31.823 0.048 0.000 0.987 187 V HN 0.149 nan 8.190 nan 0.000 0.477 188 D N 2.566 123.001 120.400 0.058 0.000 2.431 188 D HA 0.202 4.842 4.640 -0.000 0.000 0.235 188 D C -0.066 176.287 176.300 0.087 0.000 0.980 188 D CA 0.290 54.325 54.000 0.059 0.000 0.912 188 D CB 0.430 41.257 40.800 0.045 0.000 1.056 188 D HN 0.360 nan 8.370 nan 0.000 0.494 189 L N 1.002 122.301 121.223 0.127 0.000 2.376 189 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 189 L C -1.913 174.938 176.870 -0.031 0.000 0.987 189 L CA -0.990 53.865 54.840 0.026 0.000 0.828 189 L CB 1.699 43.831 42.059 0.122 0.000 1.249 189 L HN -0.150 nan 8.230 nan 0.000 0.409 190 L N 5.213 126.327 121.223 -0.182 0.000 2.341 190 L HA 0.674 5.014 4.340 -0.000 0.000 0.278 190 L C -1.547 175.159 176.870 -0.274 0.000 1.005 190 L CA 0.031 54.820 54.840 -0.085 0.000 0.818 190 L CB 1.381 43.443 42.059 0.006 0.000 1.259 190 L HN 0.470 nan 8.230 nan 0.000 0.418 191 F N 6.143 126.153 119.950 0.100 0.000 2.427 191 F HA 0.677 5.204 4.527 -0.000 0.000 0.346 191 F C -0.340 175.530 175.800 0.116 0.000 1.120 191 F CA -0.493 57.568 58.000 0.101 0.000 1.033 191 F CB 1.687 40.765 39.000 0.130 0.000 1.126 191 F HN 0.358 nan 8.300 nan 0.000 0.462 192 L N 3.099 124.454 121.223 0.220 0.000 2.445 192 L HA 0.663 5.003 4.340 -0.000 0.000 0.262 192 L C -0.477 176.458 176.870 0.108 0.000 0.974 192 L CA -0.374 54.563 54.840 0.161 0.000 0.822 192 L CB 2.194 44.321 42.059 0.115 0.000 1.339 192 L HN 0.577 nan 8.230 nan 0.000 0.409 193 S N 1.789 117.543 115.700 0.089 0.000 2.651 193 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 193 S C 0.637 175.247 174.600 0.016 0.000 1.141 193 S CA -0.429 57.791 58.200 0.033 0.000 1.027 193 S CB 1.401 64.624 63.200 0.038 0.000 1.043 193 S HN 0.748 nan 8.310 nan 0.000 0.530 194 E N 1.141 121.325 120.200 -0.027 0.000 2.038 194 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 194 E C 1.675 178.269 176.600 -0.009 0.000 1.000 194 E CA 1.835 58.210 56.400 -0.042 0.000 0.803 194 E CB -0.249 29.406 29.700 -0.074 0.000 0.750 194 E HN 0.782 nan 8.360 nan 0.000 0.448 195 E N 1.183 121.386 120.200 0.005 0.000 2.049 195 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 195 E C 1.937 178.563 176.600 0.044 0.000 1.007 195 E CA 1.423 57.837 56.400 0.024 0.000 0.809 195 E CB -0.172 29.550 29.700 0.036 0.000 0.749 195 E HN 0.297 nan 8.360 nan 0.000 0.450 196 E N 0.331 120.575 120.200 0.072 0.000 2.049 196 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 196 E C 2.126 178.754 176.600 0.047 0.000 1.007 196 E CA 1.200 57.655 56.400 0.092 0.000 0.809 196 E CB -0.289 29.499 29.700 0.145 0.000 0.749 196 E HN 0.307 nan 8.360 nan 0.000 0.450 197 A N 1.327 124.191 122.820 0.074 0.000 1.908 197 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 197 A C 2.095 179.731 177.584 0.086 0.000 1.181 197 A CA 1.873 53.981 52.037 0.118 0.000 0.627 197 A CB -0.553 18.488 19.000 0.068 0.000 0.818 197 A HN 0.320 nan 8.150 nan 0.000 0.445 198 E N -0.483 119.735 120.200 0.030 0.000 2.072 198 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 198 E C 1.878 178.465 176.600 -0.022 0.000 0.985 198 E CA 0.914 57.319 56.400 0.008 0.000 0.801 198 E CB -0.179 29.519 29.700 -0.003 0.000 0.750 198 E HN 0.600 nan 8.360 nan 0.000 0.452 199 L N 0.443 121.643 121.223 -0.038 0.000 2.465 199 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 199 L C 1.271 178.012 176.870 -0.214 0.000 1.145 199 L CA 0.267 55.057 54.840 -0.083 0.000 0.834 199 L CB 0.236 42.280 42.059 -0.026 0.000 0.944 199 L HN 0.221 nan 8.230 nan 0.000 0.451 200 L N -2.736 118.334 121.223 -0.255 0.000 2.685 200 L HA 0.157 4.497 4.340 -0.000 0.000 0.235 200 L C 0.578 177.030 176.870 -0.696 0.000 1.070 200 L CA 0.831 55.364 54.840 -0.512 0.000 0.888 200 L CB 0.310 42.017 42.059 -0.587 0.000 1.203 200 L HN -0.047 nan 8.230 nan 0.000 0.499 201 F N -1.092 118.800 119.950 -0.097 0.000 2.791 201 F HA 0.495 5.021 4.527 -0.000 0.000 0.316 201 F C 1.587 177.347 175.800 -0.067 0.000 1.134 201 F CA 0.252 58.204 58.000 -0.079 0.000 1.222 201 F CB 0.710 39.665 39.000 -0.075 0.000 1.034 201 F HN 0.046 nan 8.300 nan 0.000 0.516 202 G N 1.352 110.174 108.800 0.036 0.000 4.148 202 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.221 202 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.221 202 G C 0.510 175.422 174.900 0.020 0.000 1.373 202 G CA 0.133 45.244 45.100 0.018 0.000 0.940 202 G HN 0.335 nan 8.290 nan 0.000 0.610 203 R N -0.830 119.691 120.500 0.034 0.000 2.725 203 R HA 0.555 4.895 4.340 -0.000 0.000 0.277 203 R C 1.273 177.571 176.300 -0.003 0.000 0.987 203 R CA -0.399 55.705 56.100 0.005 0.000 0.901 203 R CB 2.101 32.395 30.300 -0.009 0.000 1.207 203 R HN 0.126 nan 8.270 nan 0.000 0.463 204 V N 1.765 121.659 119.914 -0.033 0.000 2.511 204 V HA -0.315 3.805 4.120 -0.000 0.000 0.257 204 V C 1.472 177.506 176.094 -0.100 0.000 1.088 204 V CA 2.050 64.311 62.300 -0.066 0.000 1.098 204 V CB -0.593 31.165 31.823 -0.110 0.000 0.674 204 V HN 0.715 nan 8.190 nan 0.000 0.470 205 E N 0.243 120.391 120.200 -0.087 0.000 2.006 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 205 E C 2.207 178.727 176.600 -0.134 0.000 0.993 205 E CA 1.379 57.715 56.400 -0.107 0.000 0.808 205 E CB -0.435 29.224 29.700 -0.069 0.000 0.764 205 E HN 0.641 nan 8.360 nan 0.000 0.449 206 E N 1.127 121.268 120.200 -0.098 0.000 2.049 206 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 206 E C 1.895 178.319 176.600 -0.294 0.000 1.007 206 E CA 1.765 58.084 56.400 -0.134 0.000 0.809 206 E CB -0.611 29.068 29.700 -0.035 0.000 0.749 206 E HN 0.221 nan 8.360 nan 0.000 0.450 207 A N 0.811 123.471 122.820 -0.267 0.000 1.903 207 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 207 A C 2.453 179.766 177.584 -0.452 0.000 1.191 207 A CA 2.084 53.822 52.037 -0.498 0.000 0.638 207 A CB -1.069 17.900 19.000 -0.051 0.000 0.823 207 A HN 0.392 nan 8.150 nan 0.000 0.451 208 L N -1.966 119.074 121.223 -0.306 0.000 2.131 208 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 208 L C 2.788 179.472 176.870 -0.311 0.000 1.092 208 L CA 1.691 56.339 54.840 -0.321 0.000 0.759 208 L CB -0.458 41.359 42.059 -0.403 0.000 0.903 208 L HN 0.306 nan 8.230 nan 0.000 0.435 209 R N 0.260 120.585 120.500 -0.292 0.000 2.075 209 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 209 R C 2.327 178.474 176.300 -0.256 0.000 1.114 209 R CA 1.399 57.357 56.100 -0.236 0.000 0.972 209 R CB -0.491 29.697 30.300 -0.188 0.000 0.869 209 R HN 0.302 nan 8.270 nan 0.000 0.437 210 A N 0.252 122.845 122.820 -0.378 0.000 1.873 210 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 210 A C 1.156 178.538 177.584 -0.338 0.000 1.186 210 A CA 0.941 52.731 52.037 -0.412 0.000 0.616 210 A CB -0.359 18.181 19.000 -0.767 0.000 0.823 210 A HN 0.254 nan 8.150 nan 0.000 0.442 211 L N 0.996 121.986 121.223 -0.388 0.000 2.796 211 L HA 0.198 4.538 4.340 -0.000 0.000 0.235 211 L C 0.433 177.209 176.870 -0.157 0.000 1.344 211 L CA -0.269 54.443 54.840 -0.214 0.000 1.245 211 L CB -0.090 41.870 42.059 -0.166 0.000 1.556 211 L HN 0.163 nan 8.230 nan 0.000 0.423 212 S N 1.440 117.052 115.700 -0.147 0.000 2.701 212 S HA 0.542 5.011 4.470 -0.000 0.000 0.317 212 S C 0.422 174.980 174.600 -0.069 0.000 1.149 212 S CA -0.539 57.592 58.200 -0.115 0.000 1.052 212 S CB 0.037 63.169 63.200 -0.113 0.000 1.257 212 S HN 0.508 nan 8.310 nan 0.000 0.532 213 A N 6.017 128.806 122.820 -0.051 0.000 2.294 213 A HA 0.708 5.028 4.320 -0.000 0.000 0.330 213 A C -1.341 176.237 177.584 -0.009 0.000 1.133 213 A CA -1.715 50.307 52.037 -0.025 0.000 0.836 213 A CB 0.048 19.040 19.000 -0.015 0.000 1.190 213 A HN 0.539 nan 8.150 nan 0.000 0.492 214 P HA -0.172 nan 4.420 nan 0.000 0.217 214 P C 0.141 177.462 177.300 0.035 0.000 1.158 214 P CA 1.643 64.755 63.100 0.020 0.000 0.887 214 P CB 0.304 32.020 31.700 0.026 0.000 0.792 215 E N -0.877 119.336 120.200 0.021 0.000 2.302 215 E HA 0.364 4.713 4.350 -0.000 0.000 0.263 215 E C -1.645 174.912 176.600 -0.070 0.000 0.897 215 E CA -0.534 55.871 56.400 0.009 0.000 0.809 215 E CB 1.379 31.093 29.700 0.024 0.000 1.270 215 E HN -0.310 nan 8.360 nan 0.000 0.410 216 V N 4.067 123.976 119.914 -0.008 0.000 2.513 216 V HA 0.449 4.569 4.120 -0.000 0.000 0.299 216 V C -0.416 175.671 176.094 -0.012 0.000 1.035 216 V CA -0.758 61.524 62.300 -0.031 0.000 0.889 216 V CB 1.896 33.750 31.823 0.051 0.000 0.988 216 V HN 0.465 nan 8.190 nan 0.000 0.440 217 V N 5.672 125.488 119.914 -0.164 0.000 2.376 217 V HA 0.373 4.492 4.120 -0.000 0.000 0.287 217 V C -0.472 175.668 176.094 0.077 0.000 1.015 217 V CA -0.520 61.722 62.300 -0.096 0.000 0.834 217 V CB 1.515 33.124 31.823 -0.356 0.000 1.001 217 V HN 0.675 nan 8.190 nan 0.000 0.428 218 L N 6.294 127.606 121.223 0.149 0.000 2.282 218 L HA 0.471 4.811 4.340 -0.000 0.000 0.287 218 L C 0.286 177.159 176.870 0.006 0.000 1.075 218 L CA 0.036 54.930 54.840 0.091 0.000 0.839 218 L CB 0.321 42.446 42.059 0.110 0.000 1.219 218 L HN 0.507 nan 8.230 nan 0.000 0.434 219 K N 5.614 125.989 120.400 -0.043 0.000 2.349 219 K HA 0.244 4.564 4.320 -0.000 0.000 0.288 219 K C 0.048 176.554 176.600 -0.157 0.000 1.058 219 K CA 0.047 56.212 56.287 -0.204 0.000 0.953 219 K CB 0.640 32.972 32.500 -0.281 0.000 0.997 219 K HN 0.576 nan 8.250 nan 0.000 0.477 220 R N 2.505 122.912 120.500 -0.156 0.000 2.791 220 R HA 0.128 4.468 4.340 -0.000 0.000 0.357 220 R C 0.830 177.076 176.300 -0.090 0.000 1.173 220 R CA -0.019 56.009 56.100 -0.119 0.000 1.060 220 R CB 0.486 30.718 30.300 -0.114 0.000 1.406 220 R HN 1.034 nan 8.270 nan 0.000 0.580 221 G N 1.545 110.277 108.800 -0.114 0.000 2.596 221 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.304 221 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.304 221 G C 0.855 175.711 174.900 -0.073 0.000 1.189 221 G CA 0.325 45.376 45.100 -0.082 0.000 0.986 221 G HN 0.404 nan 8.290 nan 0.000 0.548 222 A N -0.117 122.684 122.820 -0.032 0.000 2.123 222 A HA 0.306 4.625 4.320 -0.000 0.000 0.214 222 A C 1.873 179.455 177.584 -0.003 0.000 1.152 222 A CA 1.782 53.811 52.037 -0.013 0.000 0.728 222 A CB -0.214 18.791 19.000 0.008 0.000 0.814 222 A HN 0.597 nan 8.150 nan 0.000 0.464 223 K N 0.298 120.700 120.400 0.004 0.000 2.665 223 K HA 0.211 4.531 4.320 -0.000 0.000 0.196 223 K C 1.243 177.884 176.600 0.069 0.000 1.021 223 K CA 0.285 56.597 56.287 0.042 0.000 1.066 223 K CB -0.519 32.008 32.500 0.046 0.000 0.849 223 K HN 0.598 nan 8.250 nan 0.000 0.500 224 G N 1.190 110.000 108.800 0.016 0.000 2.552 224 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.267 224 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.267 224 G C -0.566 174.345 174.900 0.018 0.000 1.174 224 G CA -0.340 44.773 45.100 0.021 0.000 0.955 224 G HN 0.696 nan 8.290 nan 0.000 0.546 225 A N -2.588 120.334 122.820 0.169 0.000 2.601 225 A HA 0.515 4.835 4.320 -0.000 0.000 0.303 225 A C -1.532 176.301 177.584 0.415 0.000 1.004 225 A CA 0.372 52.528 52.037 0.198 0.000 0.742 225 A CB 0.107 19.151 19.000 0.075 0.000 1.250 225 A HN 1.718 nan 8.150 nan 0.000 0.406 226 W N 0.764 122.019 121.300 -0.075 0.000 2.496 226 W HA 0.712 5.372 4.660 -0.000 0.000 0.327 226 W C 0.346 176.667 176.519 -0.331 0.000 1.086 226 W CA -0.577 56.614 57.345 -0.257 0.000 1.222 226 W CB 1.905 31.119 29.460 -0.411 0.000 1.304 226 W HN 1.331 nan 8.180 nan 0.000 0.547 227 A N 3.335 126.038 122.820 -0.196 0.000 2.273 227 A HA 0.732 5.052 4.320 -0.000 0.000 0.315 227 A C -1.660 175.741 177.584 -0.306 0.000 1.256 227 A CA -0.567 51.380 52.037 -0.149 0.000 0.851 227 A CB -0.169 18.854 19.000 0.037 0.000 1.172 227 A HN 0.380 nan 8.150 nan 0.000 0.508 228 F N 3.450 123.443 119.950 0.071 0.000 2.303 228 F HA 0.380 4.907 4.527 -0.000 0.000 0.368 228 F C 0.900 176.715 175.800 0.026 0.000 1.105 228 F CA -0.145 57.887 58.000 0.054 0.000 1.153 228 F CB 1.041 40.069 39.000 0.047 0.000 1.362 228 F HN 0.354 nan 8.300 nan 0.000 0.511 229 V N 0.637 120.641 119.914 0.150 0.000 3.505 229 V HA 0.039 4.159 4.120 -0.000 0.000 0.200 229 V C 0.708 176.859 176.094 0.096 0.000 1.192 229 V CA -0.005 62.360 62.300 0.109 0.000 1.397 229 V CB 0.062 31.936 31.823 0.085 0.000 1.403 229 V HN 0.370 nan 8.190 nan 0.000 0.489 230 D N 0.895 121.339 120.400 0.074 0.000 2.845 230 D HA 0.312 4.952 4.640 -0.000 0.000 0.235 230 D C 1.265 177.603 176.300 0.063 0.000 1.158 230 D CA 1.050 55.085 54.000 0.058 0.000 0.990 230 D CB 0.154 40.979 40.800 0.042 0.000 1.094 230 D HN 0.744 nan 8.370 nan 0.000 0.486 231 G N 1.968 110.819 108.800 0.085 0.000 2.322 231 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.264 231 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.264 231 G C 0.836 175.808 174.900 0.119 0.000 0.992 231 G CA 0.227 45.382 45.100 0.091 0.000 0.624 231 G HN 0.460 nan 8.290 nan 0.000 0.543 232 R N 0.526 121.083 120.500 0.094 0.000 2.641 232 R HA 0.529 4.869 4.340 -0.000 0.000 0.269 232 R C 0.119 176.468 176.300 0.083 0.000 1.074 232 R CA -0.147 55.992 56.100 0.064 0.000 1.133 232 R CB 0.199 30.515 30.300 0.027 0.000 1.029 232 R HN 0.316 nan 8.270 nan 0.000 0.488 233 R N 2.285 122.788 120.500 0.006 0.000 2.443 233 R HA 0.250 4.590 4.340 -0.000 0.000 0.287 233 R C -1.039 175.090 176.300 -0.285 0.000 1.425 233 R CA -0.501 55.511 56.100 -0.145 0.000 1.300 233 R CB 1.556 31.877 30.300 0.034 0.000 1.129 233 R HN 0.243 nan 8.270 nan 0.000 0.577 234 V N 1.852 121.608 119.914 -0.262 0.000 2.649 234 V HA 0.138 4.258 4.120 -0.000 0.000 0.292 234 V C 0.521 176.420 176.094 -0.324 0.000 1.055 234 V CA -0.209 61.952 62.300 -0.232 0.000 1.023 234 V CB 1.393 33.147 31.823 -0.116 0.000 0.992 234 V HN 0.617 nan 8.190 nan 0.000 0.480 235 E N 2.631 122.621 120.200 -0.350 0.000 2.207 235 E HA 0.704 5.054 4.350 -0.000 0.000 0.270 235 E C -0.278 176.222 176.600 -0.166 0.000 0.927 235 E CA -0.564 55.595 56.400 -0.402 0.000 0.799 235 E CB 1.988 31.294 29.700 -0.657 0.000 1.172 235 E HN 0.810 nan 8.360 nan 0.000 0.404 236 G N 1.152 109.918 108.800 -0.056 0.000 2.591 236 G HA2 0.412 4.372 3.960 -0.000 0.000 0.306 236 G HA3 0.412 4.372 3.960 -0.000 0.000 0.306 236 G C -1.349 173.547 174.900 -0.007 0.000 1.334 236 G CA -0.635 44.458 45.100 -0.012 0.000 0.981 236 G HN 0.380 nan 8.290 nan 0.000 0.491 237 S N 0.210 115.870 115.700 -0.067 0.000 2.489 237 S HA 0.718 5.188 4.470 -0.000 0.000 0.291 237 S C 0.685 175.159 174.600 -0.210 0.000 1.151 237 S CA -0.157 57.995 58.200 -0.080 0.000 1.082 237 S CB 0.943 64.114 63.200 -0.049 0.000 1.019 237 S HN 1.266 nan 8.310 nan 0.000 0.492 238 A N 3.652 126.387 122.820 -0.142 0.000 2.366 238 A HA 0.577 4.897 4.320 -0.000 0.000 0.249 238 A C -0.584 176.905 177.584 -0.157 0.000 1.084 238 A CA -0.178 51.747 52.037 -0.186 0.000 0.794 238 A CB -0.100 18.864 19.000 -0.059 0.000 1.034 238 A HN 0.719 nan 8.150 nan 0.000 0.491 239 F N 0.822 120.809 119.950 0.062 0.000 2.420 239 F HA 0.452 4.979 4.527 -0.000 0.000 0.352 239 F C 1.146 176.967 175.800 0.036 0.000 1.108 239 F CA -0.526 57.502 58.000 0.047 0.000 1.162 239 F CB 0.811 39.839 39.000 0.047 0.000 1.118 239 F HN 0.637 nan 8.300 nan 0.000 0.510 240 A N 4.013 126.979 122.820 0.243 0.000 2.513 240 A HA 0.421 4.741 4.320 -0.000 0.000 0.274 240 A C -0.159 177.490 177.584 0.109 0.000 1.115 240 A CA 0.184 52.302 52.037 0.134 0.000 0.792 240 A CB -0.402 18.659 19.000 0.102 0.000 1.053 240 A HN 0.686 nan 8.150 nan 0.000 0.515 241 V N 2.379 122.345 119.914 0.087 0.000 3.188 241 V HA 0.423 4.542 4.120 -0.000 0.000 0.305 241 V C -0.498 175.621 176.094 0.042 0.000 1.232 241 V CA -0.780 61.557 62.300 0.063 0.000 1.043 241 V CB 2.207 34.074 31.823 0.075 0.000 1.068 241 V HN 0.930 nan 8.190 nan 0.000 0.439 242 E N 3.029 123.245 120.200 0.028 0.000 2.001 242 E HA 0.575 4.925 4.350 -0.000 0.000 0.279 242 E C 0.067 176.671 176.600 0.006 0.000 1.045 242 E CA -0.270 56.140 56.400 0.017 0.000 0.833 242 E CB 0.973 30.680 29.700 0.011 0.000 1.077 242 E HN 0.973 nan 8.360 nan 0.000 0.397 243 A N 4.288 127.112 122.820 0.007 0.000 2.540 243 A HA 0.013 4.333 4.320 -0.000 0.000 0.264 243 A C 0.906 178.467 177.584 -0.038 0.000 1.080 243 A CA -0.042 51.989 52.037 -0.009 0.000 0.776 243 A CB 0.194 19.198 19.000 0.006 0.000 1.011 243 A HN 0.589 nan 8.150 nan 0.000 0.514 244 V N 2.295 122.168 119.914 -0.069 0.000 2.339 244 V HA 0.064 4.184 4.120 -0.000 0.000 0.234 244 V C 0.812 176.775 176.094 -0.219 0.000 1.053 244 V CA 1.517 63.751 62.300 -0.110 0.000 1.042 244 V CB -0.228 31.537 31.823 -0.098 0.000 0.678 244 V HN 0.829 nan 8.190 nan 0.000 0.475 245 D N 0.286 120.537 120.400 -0.248 0.000 2.378 245 D HA 0.262 4.902 4.640 -0.000 0.000 0.265 245 D C -1.990 174.162 176.300 -0.247 0.000 1.229 245 D CA -1.856 51.902 54.000 -0.403 0.000 0.914 245 D CB 1.662 42.223 40.800 -0.399 0.000 1.140 245 D HN 0.151 nan 8.370 nan 0.000 0.516 246 P HA -0.123 nan 4.420 nan 0.000 0.227 246 P C 0.602 177.902 177.300 0.001 0.000 1.145 246 P CA 0.283 63.362 63.100 -0.034 0.000 0.769 246 P CB 0.303 32.031 31.700 0.046 0.000 0.769 247 V N 0.387 120.291 119.914 -0.016 0.000 2.572 247 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 247 V C 1.832 177.930 176.094 0.007 0.000 1.039 247 V CA 1.173 63.493 62.300 0.034 0.000 1.055 247 V CB -0.120 31.748 31.823 0.074 0.000 0.969 247 V HN 0.442 nan 8.190 nan 0.000 0.482 248 G N 3.742 112.563 108.800 0.034 0.000 2.176 248 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 248 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 248 G C 0.971 175.892 174.900 0.035 0.000 0.979 248 G CA 0.508 45.632 45.100 0.040 0.000 0.641 248 G HN 1.277 nan 8.290 nan 0.000 0.530 249 A N 0.385 123.223 122.820 0.030 0.000 1.930 249 A HA 0.357 4.677 4.320 -0.000 0.000 0.217 249 A C 2.756 180.383 177.584 0.070 0.000 1.175 249 A CA 2.245 54.308 52.037 0.043 0.000 0.627 249 A CB -0.946 18.071 19.000 0.029 0.000 0.815 249 A HN 1.585 nan 8.150 nan 0.000 0.443 250 G N -0.130 108.700 108.800 0.052 0.000 2.422 250 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 250 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 250 G C 1.022 175.964 174.900 0.071 0.000 1.146 250 G CA 1.298 46.438 45.100 0.068 0.000 0.769 250 G HN 0.558 nan 8.290 nan 0.000 0.547 251 D N 0.687 121.104 120.400 0.029 0.000 2.183 251 D HA 0.138 4.778 4.640 -0.000 0.000 0.203 251 D C 2.697 178.953 176.300 -0.075 0.000 0.969 251 D CA 0.985 54.967 54.000 -0.030 0.000 0.842 251 D CB -0.087 40.715 40.800 0.004 0.000 0.957 251 D HN 0.327 nan 8.370 nan 0.000 0.484 252 A N 0.113 122.927 122.820 -0.010 0.000 1.969 252 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 252 A C 1.897 179.474 177.584 -0.012 0.000 1.169 252 A CA 0.675 52.697 52.037 -0.024 0.000 0.635 252 A CB -0.840 18.172 19.000 0.020 0.000 0.810 252 A HN 0.280 nan 8.150 nan 0.000 0.445 253 F N 1.091 120.988 119.950 -0.087 0.000 2.102 253 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 253 F C 2.515 178.243 175.800 -0.120 0.000 1.105 253 F CA 1.177 59.146 58.000 -0.053 0.000 1.239 253 F CB -0.471 38.524 39.000 -0.008 0.000 0.991 253 F HN 0.246 nan 8.300 nan 0.000 0.474 254 A N 0.543 123.213 122.820 -0.250 0.000 1.883 254 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 254 A C 2.427 179.666 177.584 -0.575 0.000 1.186 254 A CA 2.032 53.597 52.037 -0.787 0.000 0.624 254 A CB -1.652 16.689 19.000 -1.098 0.000 0.822 254 A HN 0.527 nan 8.150 nan 0.000 0.444 255 A N -0.614 121.954 122.820 -0.420 0.000 1.940 255 A HA 0.081 4.401 4.320 -0.000 0.000 0.219 255 A C 2.394 179.788 177.584 -0.316 0.000 1.176 255 A CA 2.021 53.849 52.037 -0.347 0.000 0.631 255 A CB -1.341 17.499 19.000 -0.266 0.000 0.814 255 A HN 0.766 nan 8.150 nan 0.000 0.446 256 G N -2.228 106.401 108.800 -0.286 0.000 2.408 256 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 256 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 256 G C 1.543 176.267 174.900 -0.294 0.000 1.150 256 G CA 1.139 46.079 45.100 -0.268 0.000 0.776 256 G HN 0.568 nan 8.290 nan 0.000 0.542 257 Y N 0.855 120.911 120.300 -0.407 0.000 2.163 257 Y HA 0.030 4.580 4.550 -0.000 0.000 0.288 257 Y C 2.679 178.410 175.900 -0.282 0.000 1.136 257 Y CA 1.172 59.098 58.100 -0.290 0.000 1.147 257 Y CB -0.115 38.270 38.460 -0.125 0.000 0.987 257 Y HN 0.089 nan 8.280 nan 0.000 0.509 258 L N -0.387 120.763 121.223 -0.122 0.000 2.012 258 L HA -0.302 4.038 4.340 -0.000 0.000 0.210 258 L C 2.768 179.349 176.870 -0.482 0.000 1.073 258 L CA 1.382 56.021 54.840 -0.335 0.000 0.748 258 L CB -1.022 40.821 42.059 -0.361 0.000 0.891 258 L HN 0.316 nan 8.230 nan 0.000 0.431 259 A N 0.222 122.726 122.820 -0.526 0.000 1.908 259 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 259 A C 2.422 179.548 177.584 -0.764 0.000 1.181 259 A CA 1.906 53.446 52.037 -0.828 0.000 0.627 259 A CB -1.403 17.075 19.000 -0.870 0.000 0.818 259 A HN 0.466 nan 8.150 nan 0.000 0.445 260 G N -0.719 107.796 108.800 -0.475 0.000 2.422 260 G HA2 0.007 3.967 3.960 -0.000 0.000 0.218 260 G HA3 0.007 3.967 3.960 -0.000 0.000 0.218 260 G C 1.720 176.468 174.900 -0.254 0.000 1.146 260 G CA 1.514 46.438 45.100 -0.292 0.000 0.769 260 G HN 0.804 nan 8.290 nan 0.000 0.547 261 A N 0.214 122.821 122.820 -0.356 0.000 1.855 261 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 261 A C 2.572 180.083 177.584 -0.121 0.000 1.191 261 A CA 1.717 53.612 52.037 -0.236 0.000 0.613 261 A CB -0.737 18.056 19.000 -0.345 0.000 0.829 261 A HN 0.254 nan 8.150 nan 0.000 0.442 262 V N -1.722 118.045 119.914 -0.246 0.000 2.469 262 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 262 V C 1.866 178.012 176.094 0.087 0.000 1.064 262 V CA 1.378 63.620 62.300 -0.097 0.000 1.066 262 V CB -0.862 30.804 31.823 -0.261 0.000 0.667 262 V HN 0.790 nan 8.190 nan 0.000 0.461 263 W N 0.041 121.312 121.300 -0.048 0.000 3.388 263 W HA 0.489 5.149 4.660 -0.000 0.000 0.324 263 W C 1.600 178.099 176.519 -0.033 0.000 1.250 263 W CA -0.105 57.218 57.345 -0.037 0.000 1.809 263 W CB -1.150 28.279 29.460 -0.053 0.000 1.083 263 W HN 0.408 nan 8.180 nan 0.000 0.685 264 G N 1.867 110.760 108.800 0.155 0.000 2.371 264 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.299 264 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.299 264 G C -0.072 174.863 174.900 0.060 0.000 1.014 264 G CA -0.015 45.141 45.100 0.092 0.000 1.097 264 G HN 0.196 nan 8.290 nan 0.000 0.512 265 L N -0.296 120.945 121.223 0.029 0.000 2.379 265 L HA 0.464 4.804 4.340 -0.000 0.000 0.269 265 L C -1.610 175.233 176.870 -0.045 0.000 1.084 265 L CA -2.505 52.335 54.840 -0.000 0.000 0.802 265 L CB 1.094 43.150 42.059 -0.004 0.000 1.175 265 L HN -0.062 nan 8.230 nan 0.000 0.448 266 P HA -0.030 nan 4.420 nan 0.000 0.269 266 P C 0.837 178.095 177.300 -0.069 0.000 1.217 266 P CA -0.289 62.791 63.100 -0.034 0.000 0.783 266 P CB 0.565 32.252 31.700 -0.021 0.000 0.898 267 V N 1.327 121.213 119.914 -0.045 0.000 2.568 267 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 267 V C 1.768 177.834 176.094 -0.047 0.000 1.072 267 V CA 1.950 64.224 62.300 -0.042 0.000 1.084 267 V CB -1.405 30.432 31.823 0.023 0.000 0.676 267 V HN 0.567 nan 8.190 nan 0.000 0.469 268 E N 0.750 120.927 120.200 -0.038 0.000 2.072 268 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 268 E C 2.125 178.703 176.600 -0.036 0.000 0.985 268 E CA 1.441 57.822 56.400 -0.030 0.000 0.801 268 E CB -0.327 29.359 29.700 -0.023 0.000 0.750 268 E HN 0.691 nan 8.360 nan 0.000 0.452 269 E N 0.507 120.677 120.200 -0.049 0.000 2.208 269 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 269 E C 2.102 178.634 176.600 -0.113 0.000 0.988 269 E CA 0.358 56.730 56.400 -0.047 0.000 0.828 269 E CB -0.019 29.666 29.700 -0.026 0.000 0.763 269 E HN 0.150 nan 8.360 nan 0.000 0.478 270 R N 0.476 120.838 120.500 -0.229 0.000 2.075 270 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 270 R C 2.400 178.492 176.300 -0.347 0.000 1.126 270 R CA 0.835 56.636 56.100 -0.499 0.000 0.963 270 R CB -0.173 29.519 30.300 -1.013 0.000 0.858 270 R HN 0.152 nan 8.270 nan 0.000 0.435 271 L N -0.006 121.146 121.223 -0.119 0.000 2.056 271 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 271 L C 2.775 179.647 176.870 0.005 0.000 1.078 271 L CA 1.222 56.096 54.840 0.055 0.000 0.749 271 L CB -0.352 41.772 42.059 0.108 0.000 0.901 271 L HN 0.169 nan 8.230 nan 0.000 0.433 272 R N -0.026 120.463 120.500 -0.017 0.000 2.083 272 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 272 R C 2.317 178.646 176.300 0.048 0.000 1.137 272 R CA 1.580 57.688 56.100 0.012 0.000 0.951 272 R CB -0.283 30.058 30.300 0.068 0.000 0.851 272 R HN 0.154 nan 8.270 nan 0.000 0.434 273 L N 0.632 121.853 121.223 -0.002 0.000 2.017 273 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 273 L C 2.294 179.128 176.870 -0.061 0.000 1.073 273 L CA 2.188 57.022 54.840 -0.010 0.000 0.745 273 L CB -0.874 41.141 42.059 -0.073 0.000 0.894 273 L HN 0.276 nan 8.230 nan 0.000 0.432 274 A N -0.582 122.120 122.820 -0.196 0.000 1.877 274 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 274 A C 2.076 179.633 177.584 -0.045 0.000 1.186 274 A CA 1.874 53.648 52.037 -0.438 0.000 0.620 274 A CB -0.776 17.520 19.000 -1.173 0.000 0.822 274 A HN 0.601 nan 8.150 nan 0.000 0.443 275 N N -0.239 118.571 118.700 0.183 0.000 2.223 275 N HA -0.139 4.600 4.740 -0.000 0.000 0.185 275 N C 1.588 177.211 175.510 0.189 0.000 1.016 275 N CA 1.449 54.659 53.050 0.266 0.000 0.863 275 N CB -0.495 37.951 38.487 -0.068 0.000 0.983 275 N HN 0.449 nan 8.380 nan 0.000 0.429 276 L N 0.827 122.192 121.223 0.236 0.000 2.017 276 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 276 L C 1.897 178.906 176.870 0.231 0.000 1.073 276 L CA 1.349 56.430 54.840 0.402 0.000 0.745 276 L CB -0.694 41.578 42.059 0.354 0.000 0.894 276 L HN -0.026 nan 8.230 nan 0.000 0.432 277 L N -0.123 121.182 121.223 0.136 0.000 2.056 277 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 277 L C 2.574 179.511 176.870 0.112 0.000 1.078 277 L CA 1.773 56.661 54.840 0.080 0.000 0.749 277 L CB -1.539 40.521 42.059 0.002 0.000 0.901 277 L HN 0.374 nan 8.230 nan 0.000 0.433 278 G N -0.989 107.923 108.800 0.187 0.000 2.422 278 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 278 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 278 G C 1.719 176.695 174.900 0.126 0.000 1.146 278 G CA 0.848 46.059 45.100 0.185 0.000 0.769 278 G HN 0.480 nan 8.290 nan 0.000 0.547 279 A N 0.415 123.330 122.820 0.158 0.000 1.873 279 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 279 A C 2.628 180.273 177.584 0.102 0.000 1.186 279 A CA 2.163 54.288 52.037 0.146 0.000 0.616 279 A CB -0.866 18.284 19.000 0.251 0.000 0.823 279 A HN 0.358 nan 8.150 nan 0.000 0.442 280 S N -0.672 115.089 115.700 0.102 0.000 2.359 280 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 280 S C 1.896 176.514 174.600 0.031 0.000 1.035 280 S CA 1.712 59.948 58.200 0.061 0.000 1.018 280 S CB -0.401 62.834 63.200 0.058 0.000 0.876 280 S HN 0.295 nan 8.310 nan 0.000 0.448 281 V N 1.764 121.695 119.914 0.028 0.000 2.548 281 V HA -0.063 4.056 4.120 -0.000 0.000 0.249 281 V C 2.644 178.725 176.094 -0.021 0.000 1.055 281 V CA 1.491 63.791 62.300 -0.000 0.000 1.065 281 V CB -1.126 30.704 31.823 0.012 0.000 0.681 281 V HN 0.567 nan 8.190 nan 0.000 0.462 282 A N 0.233 123.055 122.820 0.002 0.000 1.902 282 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 282 A C 2.145 179.710 177.584 -0.032 0.000 1.181 282 A CA 1.731 53.760 52.037 -0.013 0.000 0.623 282 A CB -0.578 18.431 19.000 0.016 0.000 0.818 282 A HN 0.593 nan 8.150 nan 0.000 0.443 283 A N -0.761 122.053 122.820 -0.010 0.000 2.291 283 A HA 0.504 4.823 4.320 -0.000 0.000 0.220 283 A C 0.539 178.102 177.584 -0.035 0.000 1.262 283 A CA 0.510 52.538 52.037 -0.016 0.000 0.867 283 A CB -0.354 18.652 19.000 0.009 0.000 0.888 283 A HN 0.290 nan 8.150 nan 0.000 0.487 284 S N -0.832 114.831 115.700 -0.061 0.000 2.564 284 S HA 0.515 4.985 4.470 -0.000 0.000 0.274 284 S C -0.260 174.249 174.600 -0.152 0.000 1.124 284 S CA -0.859 57.293 58.200 -0.080 0.000 0.869 284 S CB 1.479 64.647 63.200 -0.053 0.000 1.105 284 S HN 0.530 nan 8.310 nan 0.000 0.472 285 R N 0.578 120.969 120.500 -0.182 0.000 2.577 285 R HA 0.681 5.021 4.340 -0.000 0.000 0.269 285 R C 0.710 176.661 176.300 -0.582 0.000 1.084 285 R CA 0.282 56.190 56.100 -0.320 0.000 1.163 285 R CB 0.364 30.524 30.300 -0.234 0.000 1.100 285 R HN 1.044 nan 8.270 nan 0.000 0.547 286 G N 1.101 109.329 108.800 -0.955 0.000 2.710 286 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.668 286 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.668 286 G C -0.247 174.315 174.900 -0.563 0.000 1.320 286 G CA -0.123 44.157 45.100 -1.366 0.000 0.860 286 G HN 0.636 nan 8.290 nan 0.000 0.538 287 D N -0.520 119.637 120.400 -0.406 0.000 2.137 287 D HA 0.078 4.718 4.640 -0.000 0.000 0.202 287 D C 1.652 177.890 176.300 -0.102 0.000 0.970 287 D CA 2.012 55.911 54.000 -0.168 0.000 0.837 287 D CB 0.000 40.773 40.800 -0.046 0.000 0.981 287 D HN 0.687 nan 8.370 nan 0.000 0.475 288 H N -2.470 116.555 119.070 -0.075 0.000 3.043 288 H HA 0.260 4.816 4.556 -0.000 0.000 0.244 288 H C 0.255 175.545 175.328 -0.064 0.000 1.199 288 H CA -0.101 55.905 56.048 -0.069 0.000 0.956 288 H CB 0.167 29.887 29.762 -0.069 0.000 2.305 288 H HN -0.048 nan 8.280 nan 0.000 0.665 289 E N 1.693 121.811 120.200 -0.137 0.000 2.204 289 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 289 E C 2.092 178.696 176.600 0.007 0.000 0.989 289 E CA 1.038 57.413 56.400 -0.041 0.000 0.824 289 E CB -0.203 29.466 29.700 -0.051 0.000 0.756 289 E HN 0.702 nan 8.360 nan 0.000 0.477 290 G N 1.030 109.822 108.800 -0.015 0.000 2.712 290 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 290 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 290 G C 0.727 175.630 174.900 0.006 0.000 1.142 290 G CA 0.290 45.393 45.100 0.005 0.000 0.789 290 G HN 0.310 nan 8.290 nan 0.000 0.535 291 A N 1.903 124.713 122.820 -0.018 0.000 2.580 291 A HA 0.408 4.728 4.320 -0.000 0.000 0.244 291 A C -1.502 175.993 177.584 -0.149 0.000 1.045 291 A CA -0.484 51.506 52.037 -0.079 0.000 0.761 291 A CB 0.170 19.099 19.000 -0.117 0.000 0.962 291 A HN 0.276 nan 8.150 nan 0.000 0.512 292 P HA 0.371 nan 4.420 nan 0.000 0.276 292 P C -0.965 176.257 177.300 -0.130 0.000 1.261 292 P CA -0.057 63.035 63.100 -0.014 0.000 0.800 292 P CB 0.522 32.256 31.700 0.056 0.000 1.066 293 Y N -0.977 119.342 120.300 0.032 0.000 2.568 293 Y HA 0.381 4.931 4.550 -0.000 0.000 0.327 293 Y C 2.352 178.285 175.900 0.054 0.000 1.163 293 Y CA -0.701 57.422 58.100 0.039 0.000 1.219 293 Y CB 0.467 38.945 38.460 0.030 0.000 1.308 293 Y HN 0.312 nan 8.280 nan 0.000 0.503 294 R N 1.127 121.771 120.500 0.240 0.000 2.094 294 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 294 R C 1.611 177.987 176.300 0.127 0.000 1.137 294 R CA 2.445 58.654 56.100 0.182 0.000 0.943 294 R CB -0.288 30.112 30.300 0.166 0.000 0.850 294 R HN 0.999 nan 8.270 nan 0.000 0.433 295 E N -0.141 120.128 120.200 0.116 0.000 2.267 295 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 295 E C 0.868 177.502 176.600 0.057 0.000 0.998 295 E CA 1.499 57.934 56.400 0.059 0.000 0.830 295 E CB -0.167 29.548 29.700 0.025 0.000 0.751 295 E HN 0.424 nan 8.360 nan 0.000 0.491 296 D N 1.436 121.893 120.400 0.096 0.000 2.137 296 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 296 D C 2.256 178.589 176.300 0.055 0.000 0.970 296 D CA 0.972 55.017 54.000 0.076 0.000 0.837 296 D CB -0.222 40.646 40.800 0.113 0.000 0.981 296 D HN 0.285 nan 8.370 nan 0.000 0.475 297 L N 0.701 121.967 121.223 0.072 0.000 2.027 297 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 297 L C 2.197 179.086 176.870 0.031 0.000 1.074 297 L CA 1.181 56.057 54.840 0.060 0.000 0.745 297 L CB -0.866 41.251 42.059 0.097 0.000 0.898 297 L HN -0.053 nan 8.230 nan 0.000 0.433 298 E N 0.651 120.865 120.200 0.024 0.000 2.086 298 E HA -0.229 4.120 4.350 -0.000 0.000 0.200 298 E C 2.289 178.886 176.600 -0.005 0.000 1.012 298 E CA 1.776 58.174 56.400 -0.003 0.000 0.812 298 E CB -0.373 29.323 29.700 -0.006 0.000 0.743 298 E HN 0.305 nan 8.360 nan 0.000 0.453 299 V N 1.022 120.937 119.914 0.001 0.000 2.379 299 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 299 V C 2.172 178.260 176.094 -0.010 0.000 1.044 299 V CA 1.494 63.791 62.300 -0.006 0.000 1.036 299 V CB -0.238 31.582 31.823 -0.004 0.000 0.664 299 V HN 0.270 nan 8.190 nan 0.000 0.453 300 L N -0.917 120.301 121.223 -0.008 0.000 2.221 300 L HA 0.472 4.812 4.340 -0.000 0.000 0.202 300 L C 0.383 177.245 176.870 -0.013 0.000 1.074 300 L CA 1.366 56.193 54.840 -0.022 0.000 0.795 300 L CB 0.779 42.816 42.059 -0.036 0.000 0.960 300 L HN 0.281 nan 8.230 nan 0.000 0.458 301 L N 0.000 121.224 121.223 0.001 0.000 2.949 301 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 301 L CA 0.000 nan 54.840 nan 0.000 0.813 301 L CB 0.000 nan 42.059 nan 0.000 0.961 301 L HN 0.000 nan 8.230 nan 0.000 0.502