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 1v1s_1_A 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 LK 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 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.627 32.600 0.046 0.000 1.302 2 L N 3.779 125.018 121.223 0.027 0.000 2.453 2 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 2 L C 0.785 177.648 176.870 -0.013 0.000 1.182 2 L CA 0.362 55.197 54.840 -0.008 0.000 0.858 2 L CB 0.659 42.671 42.059 -0.079 0.000 1.120 2 L HN 0.847 nan 8.230 nan 0.000 0.474 3 E N 1.831 122.030 120.200 -0.001 0.000 2.216 3 E HA 0.084 4.434 4.350 -0.000 0.000 0.192 3 E C -0.454 176.164 176.600 0.030 0.000 0.973 3 E CA 0.399 56.812 56.400 0.021 0.000 0.851 3 E CB 0.672 30.383 29.700 0.018 0.000 0.804 3 E HN 0.401 nan 8.360 nan 0.000 0.477 4 V N 1.116 121.023 119.914 -0.012 0.000 2.925 4 V HA 0.400 4.520 4.120 -0.000 0.000 0.311 4 V C -0.645 175.420 176.094 -0.049 0.000 1.104 4 V CA -0.987 61.312 62.300 -0.001 0.000 0.954 4 V CB 2.407 34.209 31.823 -0.035 0.000 1.022 4 V HN -0.185 nan 8.190 nan 0.000 0.427 5 V N 2.044 121.933 119.914 -0.040 0.000 2.686 5 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 5 V C -0.235 175.865 176.094 0.010 0.000 1.065 5 V CA -0.173 62.068 62.300 -0.099 0.000 0.894 5 V CB 2.231 33.876 31.823 -0.297 0.000 1.004 5 V HN 1.008 nan 8.190 nan 0.000 0.424 6 T N 2.919 117.516 114.554 0.072 0.000 2.916 6 T HA 0.912 5.262 4.350 -0.000 0.000 0.292 6 T C -0.977 173.771 174.700 0.080 0.000 1.064 6 T CA 0.091 62.290 62.100 0.166 0.000 1.011 6 T CB 1.825 70.870 68.868 0.295 0.000 1.152 6 T HN 1.205 nan 8.240 nan 0.000 0.510 7 A N 0.835 123.712 122.820 0.095 0.000 2.547 7 A HA 0.931 5.251 4.320 -0.000 0.000 0.297 7 A C -0.121 177.514 177.584 0.085 0.000 1.056 7 A CA 0.013 51.993 52.037 -0.095 0.000 0.688 7 A CB 1.453 20.503 19.000 0.084 0.000 1.282 7 A HN 1.448 nan 8.150 nan 0.000 0.400 8 G N -0.103 108.708 108.800 0.017 0.000 2.341 8 G HA2 0.483 4.443 3.960 -0.000 0.000 0.299 8 G HA3 0.483 4.443 3.960 -0.000 0.000 0.299 8 G C -1.576 173.475 174.900 0.251 0.000 1.274 8 G CA -0.162 45.045 45.100 0.179 0.000 0.853 8 G HN 0.886 nan 8.290 nan 0.000 0.493 9 E N 0.663 120.982 120.200 0.198 0.000 2.156 9 E HA 0.583 4.933 4.350 -0.000 0.000 0.279 9 E C -2.466 174.265 176.600 0.219 0.000 0.965 9 E CA -1.801 54.704 56.400 0.175 0.000 0.789 9 E CB 1.969 31.697 29.700 0.047 0.000 1.098 9 E HN 0.118 nan 8.360 nan 0.000 0.397 10 P HA 0.299 nan 4.420 nan 0.000 0.282 10 P C -0.964 176.433 177.300 0.162 0.000 1.249 10 P CA -0.294 62.910 63.100 0.172 0.000 0.806 10 P CB 0.859 32.679 31.700 0.201 0.000 0.984 11 L N 1.065 122.393 121.223 0.174 0.000 2.376 11 L HA 0.530 4.870 4.340 -0.000 0.000 0.258 11 L C -0.824 176.191 176.870 0.242 0.000 1.013 11 L CA -1.310 53.672 54.840 0.238 0.000 0.822 11 L CB 2.424 44.676 42.059 0.320 0.000 1.388 11 L HN -0.004 nan 8.230 nan 0.000 0.413 12 V N 1.488 121.533 119.914 0.218 0.000 2.370 12 V HA 0.589 4.709 4.120 -0.000 0.000 0.283 12 V C 0.288 176.375 176.094 -0.012 0.000 1.023 12 V CA -0.515 61.856 62.300 0.117 0.000 0.857 12 V CB 1.425 33.292 31.823 0.074 0.000 0.985 12 V HN 0.808 nan 8.190 nan 0.000 0.443 13 A N 6.549 129.302 122.820 -0.112 0.000 2.310 13 A HA 0.840 5.160 4.320 -0.000 0.000 0.299 13 A C -0.635 176.750 177.584 -0.332 0.000 1.147 13 A CA -0.448 51.243 52.037 -0.576 0.000 0.818 13 A CB 0.484 19.290 19.000 -0.324 0.000 1.096 13 A HN 0.805 nan 8.150 nan 0.000 0.495 14 L N 3.003 123.972 121.223 -0.422 0.000 2.349 14 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 14 L C -1.051 175.719 176.870 -0.167 0.000 0.996 14 L CA -0.719 53.989 54.840 -0.220 0.000 0.825 14 L CB 1.711 43.660 42.059 -0.183 0.000 1.243 14 L HN 0.436 nan 8.230 nan 0.000 0.412 15 V N 3.699 123.568 119.914 -0.076 0.000 2.888 15 V HA 0.459 4.579 4.120 -0.000 0.000 0.309 15 V C -2.245 173.808 176.094 -0.069 0.000 1.114 15 V CA -1.525 60.749 62.300 -0.044 0.000 0.940 15 V CB 2.728 34.623 31.823 0.120 0.000 1.021 15 V HN 0.579 nan 8.190 nan 0.000 0.426 16 P HA 0.161 nan 4.420 nan 0.000 0.272 16 P C -0.234 177.024 177.300 -0.071 0.000 1.223 16 P CA -0.094 62.911 63.100 -0.158 0.000 0.784 16 P CB 0.902 32.452 31.700 -0.251 0.000 0.923 17 Q N 0.077 119.878 119.800 0.001 0.000 2.482 17 Q HA -0.016 4.324 4.340 -0.000 0.000 0.209 17 Q C 0.721 176.816 176.000 0.158 0.000 0.961 17 Q CA 0.765 56.621 55.803 0.090 0.000 0.945 17 Q CB 0.094 28.863 28.738 0.051 0.000 1.012 17 Q HN 0.576 nan 8.270 nan 0.000 0.515 18 E N -0.869 119.414 120.200 0.138 0.000 2.416 18 E HA 0.341 4.691 4.350 -0.000 0.000 0.280 18 E C -3.135 173.606 176.600 0.234 0.000 1.055 18 E CA -2.591 53.958 56.400 0.248 0.000 0.825 18 E CB 0.627 30.402 29.700 0.125 0.000 1.312 18 E HN -0.296 nan 8.360 nan 0.000 0.452 19 P HA 0.371 nan 4.420 nan 0.000 0.269 19 P C -0.086 177.264 177.300 0.083 0.000 1.211 19 P CA 1.607 64.894 63.100 0.312 0.000 0.781 19 P CB 0.306 32.160 31.700 0.256 0.000 0.877 20 G N -0.175 108.632 108.800 0.012 0.000 2.340 20 G HA2 0.003 3.963 3.960 -0.000 0.000 0.527 20 G HA3 0.003 3.963 3.960 -0.000 0.000 0.527 20 G C -1.663 173.186 174.900 -0.086 0.000 1.381 20 G CA -0.940 44.164 45.100 0.007 0.000 1.001 20 G HN 0.529 nan 8.290 nan 0.000 0.626 21 H N 0.109 119.182 119.070 0.006 0.000 2.803 21 H HA 0.321 4.877 4.556 -0.000 0.000 0.330 21 H C 1.629 176.945 175.328 -0.020 0.000 1.057 21 H CA 0.070 56.122 56.048 0.008 0.000 1.458 21 H CB 1.463 31.236 29.762 0.019 0.000 1.470 21 H HN 0.516 nan 8.280 nan 0.000 0.560 22 L N 3.982 125.232 121.223 0.046 0.000 2.081 22 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 22 L C 2.438 179.300 176.870 -0.013 0.000 1.080 22 L CA 1.766 56.599 54.840 -0.013 0.000 0.754 22 L CB -0.527 41.515 42.059 -0.029 0.000 0.893 22 L HN 0.757 nan 8.230 nan 0.000 0.433 23 R N -1.132 119.381 120.500 0.022 0.000 2.170 23 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 23 R C 1.915 178.212 176.300 -0.005 0.000 1.145 23 R CA 1.550 57.645 56.100 -0.008 0.000 0.984 23 R CB -1.222 29.079 30.300 0.003 0.000 0.869 23 R HN 0.437 nan 8.270 nan 0.000 0.455 24 G N 1.154 109.966 108.800 0.020 0.000 2.744 24 G HA2 0.012 3.972 3.960 -0.000 0.000 0.211 24 G HA3 0.012 3.972 3.960 -0.000 0.000 0.211 24 G C 0.117 175.013 174.900 -0.007 0.000 1.146 24 G CA -0.325 44.781 45.100 0.010 0.000 0.787 24 G HN 0.072 nan 8.290 nan 0.000 0.534 25 K N 0.174 120.563 120.400 -0.019 0.000 2.187 25 K HA 0.370 4.690 4.320 -0.000 0.000 0.247 25 K C 0.521 177.098 176.600 -0.038 0.000 1.019 25 K CA -0.093 56.174 56.287 -0.033 0.000 0.893 25 K CB 0.810 33.277 32.500 -0.055 0.000 1.025 25 K HN 0.079 nan 8.250 nan 0.000 0.500 26 R N -0.028 120.448 120.500 -0.039 0.000 2.496 26 R HA 0.301 4.641 4.340 -0.000 0.000 0.369 26 R C -0.477 175.795 176.300 -0.046 0.000 0.896 26 R CA -0.106 55.969 56.100 -0.041 0.000 1.147 26 R CB 0.628 30.908 30.300 -0.032 0.000 1.697 26 R HN 0.323 nan 8.270 nan 0.000 0.518 27 L N 1.888 123.081 121.223 -0.049 0.000 2.516 27 L HA 0.518 4.858 4.340 -0.000 0.000 0.267 27 L C -1.334 175.497 176.870 -0.065 0.000 0.957 27 L CA -0.571 54.237 54.840 -0.054 0.000 0.860 27 L CB 2.322 44.355 42.059 -0.042 0.000 1.265 27 L HN -0.071 nan 8.230 nan 0.000 0.403 28 L N 3.029 124.203 121.223 -0.081 0.000 2.346 28 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 28 L C -0.242 176.552 176.870 -0.126 0.000 1.007 28 L CA -0.701 54.081 54.840 -0.097 0.000 0.818 28 L CB 2.494 44.489 42.059 -0.107 0.000 1.284 28 L HN 0.547 nan 8.230 nan 0.000 0.424 29 E N 1.282 121.395 120.200 -0.144 0.000 2.313 29 E HA 0.400 4.750 4.350 -0.000 0.000 0.272 29 E C -1.138 175.224 176.600 -0.398 0.000 1.038 29 E CA -0.623 55.607 56.400 -0.284 0.000 0.863 29 E CB 2.306 31.831 29.700 -0.292 0.000 1.060 29 E HN 0.205 nan 8.360 nan 0.000 0.402 30 V N 3.697 123.304 119.914 -0.511 0.000 2.398 30 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 30 V C -1.022 174.736 176.094 -0.560 0.000 1.026 30 V CA -0.608 61.453 62.300 -0.399 0.000 0.868 30 V CB 0.070 31.756 31.823 -0.229 0.000 0.982 30 V HN 0.543 nan 8.190 nan 0.000 0.443 31 Y N 2.220 122.478 120.300 -0.070 0.000 2.545 31 Y HA 0.646 5.196 4.550 -0.000 0.000 0.348 31 Y C -0.074 175.821 175.900 -0.008 0.000 1.002 31 Y CA -1.095 56.973 58.100 -0.054 0.000 1.039 31 Y CB 2.158 40.572 38.460 -0.078 0.000 1.271 31 Y HN 0.339 nan 8.280 nan 0.000 0.467 32 V N 2.097 122.148 119.914 0.229 0.000 2.439 32 V HA 0.843 4.963 4.120 -0.000 0.000 0.282 32 V C 0.275 176.549 176.094 0.301 0.000 1.039 32 V CA -0.020 62.412 62.300 0.219 0.000 0.913 32 V CB 0.877 32.817 31.823 0.195 0.000 0.983 32 V HN 0.959 nan 8.190 nan 0.000 0.460 33 G N 2.126 111.071 108.800 0.240 0.000 2.975 33 G HA2 0.793 4.753 3.960 -0.000 0.000 0.291 33 G HA3 0.793 4.753 3.960 -0.000 0.000 0.291 33 G C -0.251 174.734 174.900 0.142 0.000 1.334 33 G CA -0.497 44.749 45.100 0.244 0.000 0.843 33 G HN 1.496 nan 8.290 nan 0.000 0.548 34 G N -1.717 107.156 108.800 0.123 0.000 3.306 34 G HA2 0.453 4.412 3.960 -0.000 0.000 0.672 34 G HA3 0.453 4.412 3.960 -0.000 0.000 0.672 34 G C 0.764 175.689 174.900 0.041 0.000 1.212 34 G CA 0.681 45.827 45.100 0.077 0.000 1.150 34 G HN 1.952 nan 8.290 nan 0.000 0.509 35 A N 2.258 125.111 122.820 0.054 0.000 1.883 35 A HA -0.242 4.078 4.320 -0.000 0.000 0.226 35 A C 2.214 179.836 177.584 0.064 0.000 1.512 35 A CA 2.920 54.991 52.037 0.057 0.000 0.738 35 A CB -0.808 18.238 19.000 0.077 0.000 0.848 35 A HN 1.232 nan 8.150 nan 0.000 0.477 36 E N -0.759 119.526 120.200 0.142 0.000 2.147 36 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 36 E C 1.925 178.554 176.600 0.049 0.000 1.005 36 E CA 1.453 57.987 56.400 0.222 0.000 0.810 36 E CB -0.531 29.414 29.700 0.408 0.000 0.736 36 E HN 0.440 nan 8.360 nan 0.000 0.460 37 V N 1.635 121.467 119.914 -0.137 0.000 2.270 37 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 37 V C 1.815 177.691 176.094 -0.363 0.000 1.043 37 V CA 1.879 63.904 62.300 -0.457 0.000 1.014 37 V CB -0.646 30.888 31.823 -0.482 0.000 0.645 37 V HN 0.298 nan 8.190 nan 0.000 0.447 38 N N 0.629 119.191 118.700 -0.230 0.000 2.091 38 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 38 N C 1.798 177.178 175.510 -0.216 0.000 1.021 38 N CA 1.803 54.726 53.050 -0.212 0.000 0.862 38 N CB -0.600 37.873 38.487 -0.022 0.000 1.018 38 N HN 0.425 nan 8.380 nan 0.000 0.429 39 V N 1.541 121.356 119.914 -0.164 0.000 2.358 39 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 39 V C 2.554 178.536 176.094 -0.187 0.000 1.047 39 V CA 1.662 63.851 62.300 -0.185 0.000 1.035 39 V CB -1.045 30.659 31.823 -0.199 0.000 0.658 39 V HN 0.290 nan 8.190 nan 0.000 0.452 40 A N 0.355 123.079 122.820 -0.161 0.000 1.908 40 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 40 A C 2.388 179.858 177.584 -0.190 0.000 1.181 40 A CA 2.287 54.240 52.037 -0.139 0.000 0.627 40 A CB -0.765 18.166 19.000 -0.115 0.000 0.818 40 A HN 0.368 nan 8.150 nan 0.000 0.445 41 V N -0.032 119.715 119.914 -0.279 0.000 2.255 41 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 41 V C 3.030 179.000 176.094 -0.207 0.000 1.051 41 V CA 2.028 64.164 62.300 -0.273 0.000 1.018 41 V CB -1.687 29.864 31.823 -0.454 0.000 0.641 41 V HN 0.621 nan 8.190 nan 0.000 0.445 42 A N 0.300 122.995 122.820 -0.208 0.000 1.884 42 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 42 A C 2.268 179.742 177.584 -0.182 0.000 1.197 42 A CA 2.412 54.336 52.037 -0.189 0.000 0.637 42 A CB -0.736 18.159 19.000 -0.175 0.000 0.827 42 A HN 0.514 nan 8.150 nan 0.000 0.450 43 L N -1.057 120.055 121.223 -0.185 0.000 1.994 43 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 43 L C 3.174 179.975 176.870 -0.114 0.000 1.071 43 L CA 1.248 55.980 54.840 -0.180 0.000 0.745 43 L CB -0.873 41.071 42.059 -0.191 0.000 0.892 43 L HN 0.470 nan 8.230 nan 0.000 0.431 44 A N 0.283 123.044 122.820 -0.099 0.000 1.903 44 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 44 A C 2.366 179.938 177.584 -0.019 0.000 1.191 44 A CA 2.003 54.011 52.037 -0.048 0.000 0.638 44 A CB -0.661 18.306 19.000 -0.055 0.000 0.823 44 A HN 0.362 nan 8.150 nan 0.000 0.451 45 R N -0.762 119.690 120.500 -0.080 0.000 2.193 45 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 45 R C 1.404 177.704 176.300 0.001 0.000 1.110 45 R CA 1.061 57.100 56.100 -0.102 0.000 0.988 45 R CB -0.330 29.687 30.300 -0.472 0.000 0.871 45 R HN 0.517 nan 8.270 nan 0.000 0.458 46 L N -0.726 120.501 121.223 0.007 0.000 2.592 46 L HA 0.172 4.511 4.340 -0.000 0.000 0.227 46 L C 1.099 178.112 176.870 0.237 0.000 1.127 46 L CA 0.496 55.413 54.840 0.128 0.000 0.884 46 L CB 0.291 42.411 42.059 0.102 0.000 1.065 46 L HN 0.473 nan 8.230 nan 0.000 0.457 47 G N -0.036 108.858 108.800 0.157 0.000 2.176 47 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 47 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 47 G C 0.263 175.260 174.900 0.162 0.000 0.986 47 G CA -0.067 45.138 45.100 0.174 0.000 0.643 47 G HN 0.081 nan 8.290 nan 0.000 0.522 48 V N 1.464 121.433 119.914 0.092 0.000 2.555 48 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 48 V C 0.947 177.047 176.094 0.010 0.000 1.044 48 V CA 0.007 62.315 62.300 0.014 0.000 1.026 48 V CB 1.295 33.033 31.823 -0.141 0.000 0.981 48 V HN 0.310 nan 8.190 nan 0.000 0.480 49 K N 3.860 124.276 120.400 0.025 0.000 2.315 49 K HA 0.434 4.754 4.320 -0.000 0.000 0.291 49 K C -0.566 176.034 176.600 0.000 0.000 1.074 49 K CA 0.072 56.374 56.287 0.026 0.000 0.936 49 K CB 1.112 33.636 32.500 0.040 0.000 1.049 49 K HN 0.484 nan 8.250 nan 0.000 0.471 50 V N 1.845 121.760 119.914 0.001 0.000 2.962 50 V HA 0.798 4.918 4.120 -0.000 0.000 0.313 50 V C -0.654 175.459 176.094 0.032 0.000 1.099 50 V CA -0.481 61.815 62.300 -0.008 0.000 0.971 50 V CB 2.112 33.919 31.823 -0.027 0.000 1.028 50 V HN 0.794 nan 8.190 nan 0.000 0.430 51 G N 3.425 112.244 108.800 0.032 0.000 2.524 51 G HA2 0.673 4.633 3.960 -0.000 0.000 0.310 51 G HA3 0.673 4.633 3.960 -0.000 0.000 0.310 51 G C -1.906 173.108 174.900 0.190 0.000 1.279 51 G CA -0.557 44.624 45.100 0.134 0.000 0.974 51 G HN 0.734 nan 8.290 nan 0.000 0.484 52 F N 2.100 122.100 119.950 0.085 0.000 2.508 52 F HA 0.723 5.250 4.527 -0.000 0.000 0.325 52 F C -0.615 175.311 175.800 0.211 0.000 1.090 52 F CA -0.909 57.138 58.000 0.079 0.000 0.945 52 F CB 2.353 41.328 39.000 -0.041 0.000 1.156 52 F HN 0.346 nan 8.300 nan 0.000 0.463 53 V N 4.532 124.021 119.914 -0.708 0.000 2.487 53 V HA 0.951 5.071 4.120 -0.000 0.000 0.298 53 V C -0.065 175.622 176.094 -0.678 0.000 1.028 53 V CA -0.151 61.931 62.300 -0.362 0.000 0.860 53 V CB 0.923 32.671 31.823 -0.125 0.000 0.991 53 V HN 1.147 nan 8.190 nan 0.000 0.427 54 G N 4.102 112.817 108.800 -0.141 0.000 2.328 54 G HA2 0.580 4.540 3.960 -0.000 0.000 0.295 54 G HA3 0.580 4.540 3.960 -0.000 0.000 0.295 54 G C -2.086 172.734 174.900 -0.133 0.000 1.413 54 G CA -0.894 44.168 45.100 -0.063 0.000 0.817 54 G HN 0.425 nan 8.290 nan 0.000 0.546 55 R N -1.050 119.365 120.500 -0.141 0.000 2.854 55 R HA 0.871 5.211 4.340 -0.000 0.000 0.271 55 R C -0.252 175.957 176.300 -0.152 0.000 0.994 55 R CA -0.686 55.238 56.100 -0.294 0.000 0.945 55 R CB 1.416 31.587 30.300 -0.215 0.000 1.194 55 R HN 1.493 nan 8.270 nan 0.000 0.476 56 V N -2.354 117.443 119.914 -0.195 0.000 3.159 56 V HA 0.862 4.982 4.120 -0.000 0.000 0.308 56 V C 0.294 176.342 176.094 -0.076 0.000 1.190 56 V CA -0.975 61.292 62.300 -0.056 0.000 1.037 56 V CB 1.885 33.762 31.823 0.089 0.000 1.060 56 V HN 0.749 nan 8.190 nan 0.000 0.437 57 G N -0.035 108.741 108.800 -0.039 0.000 2.651 57 G HA2 0.427 4.387 3.960 -0.000 0.000 0.260 57 G HA3 0.427 4.387 3.960 -0.000 0.000 0.260 57 G C -0.037 174.872 174.900 0.015 0.000 1.216 57 G CA -0.418 44.675 45.100 -0.011 0.000 0.913 57 G HN 0.932 nan 8.290 nan 0.000 0.535 58 E N 0.521 120.737 120.200 0.025 0.000 2.368 58 E HA 0.119 4.469 4.350 -0.000 0.000 0.283 58 E C -0.563 176.063 176.600 0.044 0.000 1.476 58 E CA -0.260 56.156 56.400 0.026 0.000 1.786 58 E CB 0.076 29.786 29.700 0.017 0.000 1.518 58 E HN 0.548 nan 8.360 nan 0.000 0.456 59 D N -1.415 119.020 120.400 0.058 0.000 2.467 59 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 59 D C 0.913 177.246 176.300 0.056 0.000 1.038 59 D CA -0.711 53.327 54.000 0.062 0.000 1.038 59 D CB 0.691 41.545 40.800 0.089 0.000 1.278 59 D HN -0.245 nan 8.370 nan 0.000 0.564 60 E N -0.169 120.057 120.200 0.045 0.000 2.160 60 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 60 E C 1.960 178.587 176.600 0.045 0.000 0.991 60 E CA 0.703 57.125 56.400 0.037 0.000 0.810 60 E CB -0.135 29.578 29.700 0.021 0.000 0.742 60 E HN 0.488 nan 8.360 nan 0.000 0.466 61 L N 0.113 121.369 121.223 0.056 0.000 2.093 61 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 61 L C 2.501 179.422 176.870 0.085 0.000 1.085 61 L CA 1.090 55.969 54.840 0.064 0.000 0.755 61 L CB -0.680 41.425 42.059 0.077 0.000 0.904 61 L HN 0.175 nan 8.230 nan 0.000 0.435 62 G N -0.254 108.602 108.800 0.092 0.000 2.421 62 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 62 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 62 G C 1.795 176.771 174.900 0.126 0.000 1.171 62 G CA 0.786 45.956 45.100 0.116 0.000 0.775 62 G HN 0.444 nan 8.290 nan 0.000 0.543 63 A N 0.608 123.483 122.820 0.093 0.000 1.927 63 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 63 A C 2.361 179.994 177.584 0.081 0.000 1.185 63 A CA 2.227 54.316 52.037 0.086 0.000 0.639 63 A CB -0.462 18.573 19.000 0.058 0.000 0.820 63 A HN 0.451 nan 8.150 nan 0.000 0.451 64 M N -0.189 119.451 119.600 0.068 0.000 2.086 64 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 64 M C 1.954 178.289 176.300 0.058 0.000 1.067 64 M CA 2.211 57.543 55.300 0.053 0.000 1.116 64 M CB -0.312 32.313 32.600 0.041 0.000 1.348 64 M HN 0.244 nan 8.290 nan 0.000 0.407 65 V N 0.798 120.761 119.914 0.082 0.000 2.255 65 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 65 V C 2.254 178.357 176.094 0.015 0.000 1.051 65 V CA 2.532 64.869 62.300 0.062 0.000 1.018 65 V CB -1.273 30.634 31.823 0.139 0.000 0.641 65 V HN 0.633 nan 8.190 nan 0.000 0.445 66 E N 0.271 120.535 120.200 0.106 0.000 2.070 66 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 66 E C 2.202 178.818 176.600 0.027 0.000 1.004 66 E CA 1.939 58.395 56.400 0.095 0.000 0.805 66 E CB -0.192 29.650 29.700 0.237 0.000 0.744 66 E HN 0.716 nan 8.360 nan 0.000 0.451 67 E N -0.113 120.113 120.200 0.043 0.000 2.038 67 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 67 E C 2.257 178.864 176.600 0.011 0.000 1.000 67 E CA 1.348 57.765 56.400 0.029 0.000 0.803 67 E CB -0.194 29.526 29.700 0.033 0.000 0.750 67 E HN 0.076 nan 8.360 nan 0.000 0.448 68 R N 1.502 122.007 120.500 0.008 0.000 2.094 68 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 68 R C 2.156 178.432 176.300 -0.040 0.000 1.137 68 R CA 1.500 57.604 56.100 0.006 0.000 0.943 68 R CB -0.865 29.450 30.300 0.026 0.000 0.850 68 R HN 0.180 nan 8.270 nan 0.000 0.433 69 L N -0.156 120.999 121.223 -0.112 0.000 2.017 69 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 69 L C 2.851 179.664 176.870 -0.095 0.000 1.073 69 L CA 1.919 56.654 54.840 -0.175 0.000 0.745 69 L CB -0.459 41.402 42.059 -0.330 0.000 0.894 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 R N -0.010 120.456 120.500 -0.057 0.000 2.081 70 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 70 R C 2.339 178.641 176.300 0.003 0.000 1.131 70 R CA 1.509 57.602 56.100 -0.012 0.000 0.960 70 R CB -0.267 30.040 30.300 0.013 0.000 0.856 70 R HN 0.365 nan 8.270 nan 0.000 0.436 71 A N 0.698 123.522 122.820 0.007 0.000 1.933 71 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 71 A C 1.752 179.356 177.584 0.034 0.000 1.175 71 A CA 1.400 53.451 52.037 0.024 0.000 0.628 71 A CB -0.305 18.714 19.000 0.032 0.000 0.814 71 A HN 0.310 nan 8.150 nan 0.000 0.444 72 E N -1.348 118.864 120.200 0.020 0.000 2.418 72 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 72 E C 1.268 177.882 176.600 0.024 0.000 1.026 72 E CA 0.807 57.224 56.400 0.030 0.000 0.862 72 E CB -0.176 29.514 29.700 -0.016 0.000 0.799 72 E HN 0.851 nan 8.360 nan 0.000 0.518 73 G N 0.762 109.570 108.800 0.013 0.000 2.134 73 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 73 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 73 G C 0.330 175.238 174.900 0.014 0.000 0.993 73 G CA 0.226 45.339 45.100 0.022 0.000 0.669 73 G HN 0.136 nan 8.290 nan 0.000 0.519 74 V N 0.641 120.549 119.914 -0.011 0.000 2.686 74 V HA 0.402 4.521 4.120 -0.000 0.000 0.295 74 V C 0.720 176.839 176.094 0.040 0.000 1.055 74 V CA -0.004 62.295 62.300 -0.002 0.000 1.050 74 V CB 1.611 33.402 31.823 -0.053 0.000 0.984 74 V HN 0.386 nan 8.190 nan 0.000 0.482 75 D N 3.242 123.696 120.400 0.090 0.000 2.343 75 D HA 0.256 4.895 4.640 -0.000 0.000 0.255 75 D C 0.450 176.857 176.300 0.178 0.000 1.187 75 D CA 0.020 54.103 54.000 0.139 0.000 0.875 75 D CB 0.599 41.518 40.800 0.199 0.000 1.136 75 D HN 0.453 nan 8.370 nan 0.000 0.469 76 L N 3.344 124.650 121.223 0.138 0.000 2.928 76 L HA 0.149 4.489 4.340 -0.000 0.000 0.246 76 L C 1.820 178.759 176.870 0.115 0.000 1.239 76 L CA -0.291 54.663 54.840 0.190 0.000 1.035 76 L CB -0.100 42.076 42.059 0.195 0.000 1.360 76 L HN 0.417 nan 8.230 nan 0.000 0.529 77 T N -0.863 113.689 114.554 -0.005 0.000 2.653 77 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 77 T C 1.116 175.520 174.700 -0.493 0.000 1.035 77 T CA 1.590 63.509 62.100 -0.301 0.000 1.154 77 T CB -0.235 68.328 68.868 -0.508 0.000 0.862 77 T HN 0.419 nan 8.240 nan 0.000 0.441 78 H N -0.973 118.015 119.070 -0.136 0.000 2.507 78 H HA 0.371 4.927 4.556 -0.000 0.000 0.281 78 H C -0.971 174.416 175.328 0.099 0.000 1.160 78 H CA -0.457 55.564 56.048 -0.044 0.000 0.981 78 H CB -0.268 29.442 29.762 -0.087 0.000 1.665 78 H HN 0.273 nan 8.280 nan 0.000 0.554 79 F N 2.034 122.016 119.950 0.054 0.000 2.540 79 F HA 0.517 5.044 4.527 -0.000 0.000 0.317 79 F C -0.581 175.254 175.800 0.059 0.000 1.104 79 F CA -0.842 57.209 58.000 0.085 0.000 0.913 79 F CB 1.447 40.550 39.000 0.172 0.000 1.170 79 F HN 0.154 nan 8.300 nan 0.000 0.450 80 R N 3.801 123.831 120.500 -0.783 0.000 2.728 80 R HA 0.528 4.868 4.340 -0.000 0.000 0.274 80 R C -1.917 174.083 176.300 -0.499 0.000 1.032 80 R CA -1.208 54.630 56.100 -0.437 0.000 0.866 80 R CB 1.181 31.371 30.300 -0.184 0.000 1.263 80 R HN 0.717 nan 8.270 nan 0.000 0.475 81 R N 0.571 120.934 120.500 -0.227 0.000 2.357 81 R HA 0.686 5.026 4.340 -0.000 0.000 0.296 81 R C -0.732 175.498 176.300 -0.118 0.000 1.052 81 R CA 0.102 56.115 56.100 -0.144 0.000 0.988 81 R CB 1.791 32.068 30.300 -0.039 0.000 1.025 81 R HN 0.712 nan 8.270 nan 0.000 0.469 82 A N 4.316 127.072 122.820 -0.105 0.000 2.527 82 A HA 0.649 4.969 4.320 -0.000 0.000 0.293 82 A C -2.630 174.925 177.584 -0.048 0.000 1.117 82 A CA -2.058 49.932 52.037 -0.079 0.000 0.723 82 A CB 1.402 20.341 19.000 -0.102 0.000 1.313 82 A HN 0.436 nan 8.150 nan 0.000 0.411 83 P HA 0.395 nan 4.420 nan 0.000 0.266 83 P C 0.630 177.930 177.300 -0.001 0.000 1.193 83 P CA 1.972 65.068 63.100 -0.006 0.000 0.770 83 P CB 0.499 32.197 31.700 -0.004 0.000 0.836 84 G N 1.003 109.829 108.800 0.043 0.000 2.362 84 G HA2 0.168 4.128 3.960 -0.000 0.000 0.517 84 G HA3 0.168 4.128 3.960 -0.000 0.000 0.517 84 G C -1.281 173.709 174.900 0.151 0.000 1.256 84 G CA -0.469 44.683 45.100 0.087 0.000 1.027 84 G HN 0.547 nan 8.290 nan 0.000 0.491 85 F N -1.386 118.574 119.950 0.017 0.000 2.618 85 F HA 0.902 5.429 4.527 0.000 0.000 0.332 85 F C 0.163 175.989 175.800 0.043 0.000 1.061 85 F CA -0.719 57.298 58.000 0.029 0.000 0.974 85 F CB 1.528 40.549 39.000 0.035 0.000 1.310 85 F HN 0.545 nan 8.300 nan 0.000 0.491 86 T N 1.158 115.797 114.554 0.142 0.000 2.795 86 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 86 T C 0.323 175.124 174.700 0.169 0.000 0.980 86 T CA -0.336 61.796 62.100 0.052 0.000 1.012 86 T CB 1.141 70.079 68.868 0.116 0.000 0.936 86 T HN 1.022 nan 8.240 nan 0.000 0.457 87 G N 2.118 110.954 108.800 0.060 0.000 2.491 87 G HA2 0.523 4.483 3.960 -0.000 0.000 0.242 87 G HA3 0.523 4.483 3.960 -0.000 0.000 0.242 87 G C -0.604 174.466 174.900 0.283 0.000 1.266 87 G CA -0.370 44.862 45.100 0.220 0.000 0.844 87 G HN 0.730 nan 8.290 nan 0.000 0.571 88 L N -0.318 121.121 121.223 0.360 0.000 2.491 88 L HA 0.949 5.289 4.340 -0.000 0.000 0.254 88 L C -0.993 176.142 176.870 0.441 0.000 1.048 88 L CA -1.751 53.279 54.840 0.316 0.000 0.855 88 L CB 1.727 43.892 42.059 0.177 0.000 1.466 88 L HN 0.815 nan 8.230 nan 0.000 0.409 89 Y N -0.518 119.883 120.300 0.167 0.000 2.609 89 Y HA 0.851 5.401 4.550 -0.000 0.000 0.336 89 Y C -2.230 173.727 175.900 0.095 0.000 1.129 89 Y CA -1.528 56.654 58.100 0.136 0.000 1.040 89 Y CB 1.201 39.615 38.460 -0.076 0.000 1.310 89 Y HN 0.609 nan 8.280 nan 0.000 0.460 90 L N 3.635 124.987 121.223 0.216 0.000 2.329 90 L HA 0.685 5.025 4.340 -0.000 0.000 0.279 90 L C -0.009 177.005 176.870 0.240 0.000 1.014 90 L CA -0.617 54.286 54.840 0.104 0.000 0.814 90 L CB 1.800 43.963 42.059 0.175 0.000 1.257 90 L HN 0.839 nan 8.230 nan 0.000 0.424 91 R N 1.541 122.094 120.500 0.088 0.000 2.902 91 R HA 0.771 5.111 4.340 -0.000 0.000 0.258 91 R C -1.213 175.101 176.300 0.023 0.000 1.071 91 R CA -0.649 55.526 56.100 0.125 0.000 1.024 91 R CB 1.710 32.105 30.300 0.157 0.000 1.184 91 R HN 0.775 nan 8.270 nan 0.000 0.492 92 E N 1.861 122.048 120.200 -0.022 0.000 2.506 92 E HA 0.099 4.448 4.350 -0.000 0.000 0.308 92 E C -2.020 174.510 176.600 -0.116 0.000 0.931 92 E CA -0.604 55.700 56.400 -0.159 0.000 0.800 92 E CB 0.884 30.577 29.700 -0.013 0.000 1.292 92 E HN 0.571 nan 8.360 nan 0.000 0.401 93 Y N 3.272 123.556 120.300 -0.027 0.000 2.342 93 Y HA 0.507 5.057 4.550 0.000 0.000 0.338 93 Y C -0.095 175.762 175.900 -0.072 0.000 0.965 93 Y CA -1.268 56.806 58.100 -0.043 0.000 1.159 93 Y CB 0.596 39.043 38.460 -0.022 0.000 1.157 93 Y HN 0.290 nan 8.280 nan 0.000 0.486 94 L N 5.474 126.728 121.223 0.051 0.000 2.452 94 L HA 0.194 4.534 4.340 -0.000 0.000 0.267 94 L C -1.251 175.659 176.870 0.066 0.000 1.188 94 L CA -1.698 53.135 54.840 -0.012 0.000 0.821 94 L CB 0.883 42.907 42.059 -0.058 0.000 1.102 94 L HN 0.394 nan 8.230 nan 0.000 0.470 95 P HA -0.196 nan 4.420 nan 0.000 0.214 95 P C 1.427 178.757 177.300 0.050 0.000 1.169 95 P CA 1.511 64.652 63.100 0.069 0.000 0.908 95 P CB 0.174 31.918 31.700 0.072 0.000 0.791 96 L N -2.894 118.358 121.223 0.049 0.000 2.599 96 L HA 0.190 4.530 4.340 -0.000 0.000 0.230 96 L C 1.623 178.511 176.870 0.029 0.000 1.141 96 L CA 0.732 55.594 54.840 0.037 0.000 0.877 96 L CB -0.805 41.279 42.059 0.041 0.000 1.009 96 L HN 0.225 nan 8.230 nan 0.000 0.447 97 G N -0.744 108.075 108.800 0.033 0.000 2.238 97 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 97 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 97 G C 0.263 175.180 174.900 0.028 0.000 0.996 97 G CA -0.495 44.620 45.100 0.026 0.000 0.632 97 G HN 0.396 nan 8.290 nan 0.000 0.503 98 Q N 1.651 121.468 119.800 0.029 0.000 2.409 98 Q HA 0.502 4.842 4.340 -0.000 0.000 0.240 98 Q C 1.017 177.023 176.000 0.011 0.000 1.226 98 Q CA 0.658 56.475 55.803 0.024 0.000 0.895 98 Q CB 0.656 29.416 28.738 0.037 0.000 1.491 98 Q HN 0.576 nan 8.270 nan 0.000 0.509 99 G N 2.124 110.933 108.800 0.015 0.000 2.562 99 G HA2 0.529 4.489 3.960 -0.000 0.000 0.275 99 G HA3 0.529 4.489 3.960 -0.000 0.000 0.275 99 G C -0.489 174.391 174.900 -0.033 0.000 1.196 99 G CA -0.485 44.620 45.100 0.009 0.000 0.908 99 G HN 0.445 nan 8.290 nan 0.000 0.524 100 R N -0.789 119.667 120.500 -0.074 0.000 2.643 100 R HA 0.515 4.855 4.340 -0.000 0.000 0.269 100 R C -1.840 174.236 176.300 -0.372 0.000 1.037 100 R CA -0.494 55.483 56.100 -0.206 0.000 0.894 100 R CB 2.471 32.666 30.300 -0.176 0.000 1.238 100 R HN 0.395 nan 8.270 nan 0.000 0.459 101 V N 3.488 123.049 119.914 -0.589 0.000 2.823 101 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 101 V C -1.200 174.324 176.094 -0.950 0.000 1.072 101 V CA -0.659 61.270 62.300 -0.619 0.000 0.937 101 V CB 2.146 33.707 31.823 -0.437 0.000 1.013 101 V HN 0.558 nan 8.190 nan 0.000 0.430 102 F N 2.763 122.631 119.950 -0.137 0.000 2.507 102 F HA 0.650 5.177 4.527 -0.000 0.000 0.328 102 F C -0.499 175.239 175.800 -0.104 0.000 1.136 102 F CA -0.669 57.290 58.000 -0.067 0.000 0.930 102 F CB 1.211 40.250 39.000 0.065 0.000 1.166 102 F HN 0.319 nan 8.300 nan 0.000 0.436 103 Y N 1.449 121.805 120.300 0.093 0.000 2.403 103 Y HA 0.502 5.052 4.550 -0.000 0.000 0.323 103 Y C -0.649 175.175 175.900 -0.127 0.000 1.226 103 Y CA -0.881 57.275 58.100 0.092 0.000 1.235 103 Y CB 1.140 39.606 38.460 0.011 0.000 1.248 103 Y HN 0.477 nan 8.280 nan 0.000 0.489 104 Y N 0.977 121.494 120.300 0.363 0.000 2.640 104 Y HA 0.267 4.817 4.550 -0.000 0.000 0.295 104 Y C 0.370 176.485 175.900 0.357 0.000 1.023 104 Y CA -0.747 57.515 58.100 0.271 0.000 1.163 104 Y CB 0.552 39.128 38.460 0.193 0.000 1.145 104 Y HN 0.598 nan 8.280 nan 0.000 0.609 105 R N -1.040 119.712 120.500 0.420 0.000 2.544 105 R HA 0.248 4.588 4.340 -0.000 0.000 0.303 105 R C 0.161 176.608 176.300 0.246 0.000 0.939 105 R CA -0.558 55.754 56.100 0.353 0.000 1.102 105 R CB 0.450 30.888 30.300 0.231 0.000 1.440 105 R HN 0.040 nan 8.270 nan 0.000 0.532 106 K N 1.796 122.333 120.400 0.229 0.000 2.453 106 K HA 0.080 4.400 4.320 -0.000 0.000 0.280 106 K C 0.327 177.083 176.600 0.261 0.000 1.045 106 K CA 1.513 57.889 56.287 0.148 0.000 1.059 106 K CB 0.259 32.812 32.500 0.088 0.000 0.901 106 K HN 0.476 nan 8.250 nan 0.000 0.475 107 G N 2.574 111.438 108.800 0.107 0.000 2.141 107 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 107 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 107 G C -0.001 174.839 174.900 -0.100 0.000 0.982 107 G CA 0.361 45.529 45.100 0.113 0.000 0.662 107 G HN 0.840 nan 8.290 nan 0.000 0.527 108 S N -0.298 115.112 115.700 -0.483 0.000 2.593 108 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 108 S C 1.848 176.136 174.600 -0.520 0.000 1.334 108 S CA 0.525 58.060 58.200 -1.108 0.000 1.015 108 S CB 1.717 64.409 63.200 -0.847 0.000 0.912 108 S HN 1.733 nan 8.310 nan 0.000 0.541 109 A N 2.558 125.093 122.820 -0.476 0.000 1.948 109 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 109 A C 2.167 179.629 177.584 -0.203 0.000 1.177 109 A CA 1.789 53.679 52.037 -0.245 0.000 0.636 109 A CB -1.729 17.162 19.000 -0.182 0.000 0.815 109 A HN 1.199 nan 8.150 nan 0.000 0.449 110 G N -0.548 108.132 108.800 -0.200 0.000 2.484 110 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 110 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 110 G C 1.614 176.434 174.900 -0.134 0.000 1.130 110 G CA 1.320 46.346 45.100 -0.123 0.000 0.784 110 G HN 0.910 nan 8.290 nan 0.000 0.543 111 S N 0.058 115.661 115.700 -0.162 0.000 2.631 111 S HA 0.532 5.002 4.470 -0.000 0.000 0.217 111 S C 2.124 176.638 174.600 -0.144 0.000 0.958 111 S CA 0.800 58.913 58.200 -0.145 0.000 0.920 111 S CB 0.332 63.451 63.200 -0.135 0.000 0.776 111 S HN 0.426 nan 8.310 nan 0.000 0.517 112 A N 2.377 125.105 122.820 -0.153 0.000 1.826 112 A HA 0.322 4.642 4.320 -0.000 0.000 0.214 112 A C 1.065 178.549 177.584 -0.166 0.000 1.212 112 A CA 0.441 52.395 52.037 -0.138 0.000 0.605 112 A CB -1.048 17.874 19.000 -0.130 0.000 0.861 112 A HN 0.633 nan 8.150 nan 0.000 0.447 113 L N -0.913 120.166 121.223 -0.240 0.000 4.266 113 L HA -0.180 4.160 4.340 -0.000 0.000 0.561 113 L C 0.267 176.980 176.870 -0.263 0.000 0.996 113 L CA 0.150 54.745 54.840 -0.407 0.000 0.786 113 L CB -1.165 40.501 42.059 -0.655 0.000 0.591 113 L HN 0.627 nan 8.230 nan 0.000 0.996 114 A N 5.426 128.168 122.820 -0.131 0.000 2.430 114 A HA 0.899 5.219 4.320 -0.000 0.000 0.300 114 A C -2.507 175.177 177.584 0.166 0.000 1.124 114 A CA -1.741 50.317 52.037 0.036 0.000 0.766 114 A CB 1.399 20.369 19.000 -0.050 0.000 1.328 114 A HN 0.409 nan 8.150 nan 0.000 0.424 115 P HA 0.226 nan 4.420 nan 0.000 0.263 115 P C 0.954 177.636 177.300 -1.029 0.000 1.175 115 P CA 2.447 65.220 63.100 -0.545 0.000 0.761 115 P CB 0.477 31.845 31.700 -0.552 0.000 0.794 116 G N 2.701 110.191 108.800 -2.184 0.000 2.157 116 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.248 116 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.248 116 G C 1.166 175.794 174.900 -0.454 0.000 0.979 116 G CA 0.342 44.652 45.100 -1.317 0.000 0.650 116 G HN 0.679 nan 8.290 nan 0.000 0.529 117 A N -0.762 122.000 122.820 -0.096 0.000 2.148 117 A HA 0.375 4.695 4.320 -0.000 0.000 0.222 117 A C 0.933 178.671 177.584 0.256 0.000 1.161 117 A CA 2.128 54.263 52.037 0.163 0.000 0.662 117 A CB -0.518 18.660 19.000 0.298 0.000 0.799 117 A HN 1.989 nan 8.150 nan 0.000 0.466 118 F N -3.678 116.374 119.950 0.170 0.000 2.745 118 F HA 0.584 5.111 4.527 -0.000 0.000 0.316 118 F C -1.064 174.696 175.800 -0.066 0.000 1.155 118 F CA -1.796 56.141 58.000 -0.104 0.000 0.937 118 F CB 0.588 39.430 39.000 -0.263 0.000 1.361 118 F HN -0.142 nan 8.300 nan 0.000 0.472 119 D N 2.274 122.545 120.400 -0.214 0.000 2.325 119 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 119 D C -1.927 174.452 176.300 0.132 0.000 1.196 119 D CA -1.975 52.007 54.000 -0.029 0.000 0.866 119 D CB 1.738 42.628 40.800 0.150 0.000 1.101 119 D HN 0.246 nan 8.370 nan 0.000 0.476 120 P HA -0.148 nan 4.420 nan 0.000 0.217 120 P C 0.737 178.177 177.300 0.234 0.000 1.148 120 P CA 0.908 64.026 63.100 0.030 0.000 0.834 120 P CB 0.294 31.948 31.700 -0.076 0.000 0.783 121 D N -2.166 118.356 120.400 0.204 0.000 2.309 121 D HA -0.191 4.449 4.640 -0.000 0.000 0.212 121 D C 1.713 178.187 176.300 0.290 0.000 0.968 121 D CA 0.766 54.883 54.000 0.195 0.000 0.882 121 D CB -0.466 40.429 40.800 0.159 0.000 0.918 121 D HN 0.360 nan 8.370 nan 0.000 0.503 122 Y N 1.411 121.858 120.300 0.245 0.000 2.097 122 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 122 Y C 2.333 178.309 175.900 0.125 0.000 1.152 122 Y CA 0.805 59.036 58.100 0.219 0.000 1.136 122 Y CB -0.093 38.511 38.460 0.239 0.000 0.975 122 Y HN -0.102 nan 8.280 nan 0.000 0.498 123 L N 0.716 122.042 121.223 0.173 0.000 2.261 123 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 123 L C 0.966 177.830 176.870 -0.010 0.000 1.114 123 L CA 0.733 55.566 54.840 -0.013 0.000 0.777 123 L CB -0.672 41.411 42.059 0.041 0.000 0.910 123 L HN 0.268 nan 8.230 nan 0.000 0.440 124 E N 0.114 120.344 120.200 0.050 0.000 2.465 124 E HA 0.081 4.431 4.350 -0.000 0.000 0.260 124 E C 1.166 177.774 176.600 0.013 0.000 0.980 124 E CA 0.671 57.090 56.400 0.030 0.000 0.927 124 E CB 0.379 30.112 29.700 0.055 0.000 0.934 124 E HN 0.311 nan 8.360 nan 0.000 0.459 125 G N 2.598 111.396 108.800 -0.004 0.000 2.205 125 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 125 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 125 G C 0.302 175.192 174.900 -0.018 0.000 0.980 125 G CA 0.233 45.330 45.100 -0.005 0.000 0.632 125 G HN 0.503 nan 8.290 nan 0.000 0.533 126 V N 2.089 121.980 119.914 -0.038 0.000 2.715 126 V HA 0.309 4.428 4.120 -0.000 0.000 0.299 126 V C 1.910 177.975 176.094 -0.049 0.000 1.054 126 V CA -0.069 62.205 62.300 -0.044 0.000 1.077 126 V CB 1.342 33.113 31.823 -0.087 0.000 0.972 126 V HN 0.307 nan 8.190 nan 0.000 0.484 127 R N 2.246 122.750 120.500 0.007 0.000 2.057 127 R HA 0.109 4.449 4.340 -0.000 0.000 0.229 127 R C -0.159 176.017 176.300 -0.206 0.000 1.136 127 R CA 1.316 57.410 56.100 -0.010 0.000 0.952 127 R CB -0.163 30.308 30.300 0.286 0.000 0.848 127 R HN 0.559 nan 8.270 nan 0.000 0.430 128 F N -1.025 118.900 119.950 -0.041 0.000 2.599 128 F HA 0.412 4.939 4.527 -0.000 0.000 0.311 128 F C -0.673 175.117 175.800 -0.018 0.000 1.076 128 F CA -1.367 56.624 58.000 -0.015 0.000 0.937 128 F CB 1.349 40.357 39.000 0.013 0.000 1.282 128 F HN -0.245 nan 8.300 nan 0.000 0.460 129 L N 2.352 123.701 121.223 0.210 0.000 2.343 129 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 129 L C -1.341 175.649 176.870 0.201 0.000 0.996 129 L CA -0.324 54.588 54.840 0.120 0.000 0.831 129 L CB 0.810 42.882 42.059 0.022 0.000 1.232 129 L HN 0.690 nan 8.230 nan 0.000 0.413 130 H N 4.691 123.827 119.070 0.110 0.000 2.472 130 H HA 0.827 5.383 4.556 -0.000 0.000 0.338 130 H C -1.420 173.985 175.328 0.129 0.000 1.133 130 H CA -0.370 55.756 56.048 0.130 0.000 1.216 130 H CB 1.181 30.998 29.762 0.092 0.000 1.497 130 H HN 0.696 nan 8.280 nan 0.000 0.500 131 L N 2.483 123.269 121.223 -0.728 0.000 2.409 131 L HA 0.436 4.776 4.340 -0.000 0.000 0.255 131 L C -0.619 175.971 176.870 -0.467 0.000 1.027 131 L CA -1.056 53.542 54.840 -0.403 0.000 0.834 131 L CB 2.269 44.287 42.059 -0.069 0.000 1.426 131 L HN 0.607 nan 8.230 nan 0.000 0.411 132 S N -0.864 114.758 115.700 -0.130 0.000 2.532 132 S HA 0.517 4.987 4.470 -0.000 0.000 0.301 132 S C 0.761 175.365 174.600 0.007 0.000 1.083 132 S CA -0.013 58.177 58.200 -0.018 0.000 1.025 132 S CB 1.755 64.985 63.200 0.050 0.000 1.056 132 S HN 0.803 nan 8.310 nan 0.000 0.494 133 G N 2.574 111.405 108.800 0.051 0.000 2.708 133 G HA2 0.035 3.995 3.960 -0.000 0.000 0.210 133 G HA3 0.035 3.995 3.960 -0.000 0.000 0.210 133 G C 0.925 175.827 174.900 0.003 0.000 1.141 133 G CA 0.362 45.493 45.100 0.050 0.000 0.788 133 G HN 0.745 nan 8.290 nan 0.000 0.531 134 I N 0.428 120.976 120.570 -0.036 0.000 2.333 134 I HA -0.094 4.076 4.170 -0.000 0.000 0.246 134 I C 2.875 178.864 176.117 -0.214 0.000 1.106 134 I CA 1.023 62.250 61.300 -0.122 0.000 1.411 134 I CB -0.452 37.506 38.000 -0.070 0.000 1.082 134 I HN 0.029 nan 8.210 nan 0.000 0.420 135 T N 2.313 116.788 114.554 -0.132 0.000 2.622 135 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 135 T C -0.416 174.160 174.700 -0.206 0.000 1.047 135 T CA 1.709 63.739 62.100 -0.117 0.000 1.159 135 T CB -1.628 67.243 68.868 0.005 0.000 0.863 135 T HN 0.305 nan 8.240 nan 0.000 0.422 136 P HA 0.026 nan 4.420 nan 0.000 0.223 136 P C 1.023 177.915 177.300 -0.681 0.000 1.144 136 P CA 1.166 64.063 63.100 -0.338 0.000 0.783 136 P CB -0.130 31.215 31.700 -0.593 0.000 0.771 137 A N -0.483 121.739 122.820 -0.997 0.000 2.123 137 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 137 A C 2.323 179.394 177.584 -0.854 0.000 1.152 137 A CA 0.340 51.398 52.037 -1.631 0.000 0.728 137 A CB -1.114 16.723 19.000 -1.938 0.000 0.814 137 A HN 0.103 nan 8.150 nan 0.000 0.464 138 L N -0.073 120.837 121.223 -0.521 0.000 1.976 138 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 138 L C 1.373 178.089 176.870 -0.256 0.000 1.071 138 L CA 1.371 56.010 54.840 -0.336 0.000 0.746 138 L CB -0.676 41.242 42.059 -0.235 0.000 0.890 138 L HN 0.573 nan 8.230 nan 0.000 0.432 139 S N -3.516 112.061 115.700 -0.205 0.000 2.596 139 S HA 0.394 4.864 4.470 -0.000 0.000 0.270 139 S C -2.468 172.090 174.600 -0.069 0.000 1.155 139 S CA -1.151 56.976 58.200 -0.122 0.000 0.827 139 S CB 1.705 64.852 63.200 -0.088 0.000 1.130 139 S HN -0.256 nan 8.310 nan 0.000 0.467 140 P HA -0.005 nan 4.420 nan 0.000 0.220 140 P C 0.819 178.150 177.300 0.052 0.000 1.148 140 P CA 1.164 64.284 63.100 0.034 0.000 0.803 140 P CB 0.082 31.803 31.700 0.035 0.000 0.782 141 E N -0.056 120.158 120.200 0.022 0.000 2.007 141 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 141 E C 2.174 178.831 176.600 0.096 0.000 0.999 141 E CA 1.648 58.069 56.400 0.034 0.000 0.811 141 E CB -1.502 28.189 29.700 -0.015 0.000 0.762 141 E HN 0.064 nan 8.360 nan 0.000 0.450 142 A N 1.176 124.023 122.820 0.045 0.000 1.869 142 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 142 A C 2.222 179.939 177.584 0.222 0.000 1.203 142 A CA 2.557 54.649 52.037 0.092 0.000 0.638 142 A CB -0.799 18.177 19.000 -0.040 0.000 0.831 142 A HN 0.216 nan 8.150 nan 0.000 0.450 143 R N -0.309 120.275 120.500 0.142 0.000 2.133 143 R HA -0.213 4.127 4.340 -0.000 0.000 0.245 143 R C 2.212 178.713 176.300 0.335 0.000 1.137 143 R CA 2.322 58.581 56.100 0.266 0.000 0.947 143 R CB -0.614 29.831 30.300 0.242 0.000 0.865 143 R HN 0.457 nan 8.270 nan 0.000 0.437 144 A N 0.119 123.085 122.820 0.243 0.000 1.877 144 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 144 A C 2.096 179.849 177.584 0.282 0.000 1.186 144 A CA 1.393 53.559 52.037 0.214 0.000 0.620 144 A CB -0.949 18.134 19.000 0.137 0.000 0.822 144 A HN 0.579 nan 8.150 nan 0.000 0.443 145 F N 1.999 122.050 119.950 0.169 0.000 2.063 145 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 145 F C 2.531 178.544 175.800 0.354 0.000 1.109 145 F CA 2.201 60.356 58.000 0.257 0.000 1.212 145 F CB -0.582 38.520 39.000 0.171 0.000 0.973 145 F HN 0.240 nan 8.300 nan 0.000 0.480 146 S N 1.619 117.525 115.700 0.344 0.000 2.369 146 S HA -0.277 4.193 4.470 -0.000 0.000 0.225 146 S C 2.069 176.735 174.600 0.110 0.000 1.043 146 S CA 2.035 60.376 58.200 0.235 0.000 1.074 146 S CB -1.071 62.384 63.200 0.426 0.000 0.962 146 S HN 0.478 nan 8.310 nan 0.000 0.433 147 L N -0.314 121.016 121.223 0.178 0.000 1.990 147 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 147 L C 2.438 179.319 176.870 0.019 0.000 1.072 147 L CA 1.911 56.793 54.840 0.071 0.000 0.755 147 L CB -0.777 41.322 42.059 0.066 0.000 0.889 147 L HN 0.443 nan 8.230 nan 0.000 0.432 148 W N 1.217 122.447 121.300 -0.117 0.000 2.302 148 W HA -0.326 4.334 4.660 0.000 0.000 0.320 148 W C 2.601 178.984 176.519 -0.226 0.000 1.241 148 W CA 2.192 59.435 57.345 -0.170 0.000 1.264 148 W CB -0.477 28.864 29.460 -0.199 0.000 1.154 148 W HN 0.159 nan 8.180 nan 0.000 0.483 149 A N 1.276 123.757 122.820 -0.564 0.000 1.873 149 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 149 A C 2.180 179.470 177.584 -0.490 0.000 1.193 149 A CA 3.074 54.651 52.037 -0.768 0.000 0.629 149 A CB -1.318 17.327 19.000 -0.592 0.000 0.826 149 A HN 0.614 nan 8.150 nan 0.000 0.447 150 M N -1.825 117.612 119.600 -0.272 0.000 2.394 150 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 150 M C 1.765 177.941 176.300 -0.207 0.000 1.073 150 M CA 2.059 57.253 55.300 -0.177 0.000 1.111 150 M CB -0.559 31.998 32.600 -0.072 0.000 1.401 150 M HN 0.478 nan 8.290 nan 0.000 0.448 151 E N 1.280 121.327 120.200 -0.255 0.000 2.038 151 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 151 E C 1.915 178.351 176.600 -0.273 0.000 1.000 151 E CA 1.870 58.137 56.400 -0.221 0.000 0.803 151 E CB 0.050 29.626 29.700 -0.205 0.000 0.750 151 E HN 0.573 nan 8.360 nan 0.000 0.448 152 E N -0.059 119.862 120.200 -0.465 0.000 2.110 152 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 152 E C 1.630 178.074 176.600 -0.260 0.000 0.988 152 E CA 1.236 57.374 56.400 -0.438 0.000 0.804 152 E CB -0.162 29.064 29.700 -0.791 0.000 0.745 152 E HN 0.344 nan 8.360 nan 0.000 0.458 153 A N 0.445 123.125 122.820 -0.234 0.000 1.897 153 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 153 A C 2.077 179.585 177.584 -0.126 0.000 1.181 153 A CA 1.793 53.743 52.037 -0.145 0.000 0.620 153 A CB -0.462 18.465 19.000 -0.122 0.000 0.821 153 A HN 0.183 nan 8.150 nan 0.000 0.443 154 K N 0.123 120.445 120.400 -0.129 0.000 2.009 154 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 154 K C 2.210 178.753 176.600 -0.094 0.000 1.049 154 K CA 1.846 58.071 56.287 -0.104 0.000 0.929 154 K CB -0.324 32.118 32.500 -0.096 0.000 0.714 154 K HN 0.348 nan 8.250 nan 0.000 0.440 155 R N 0.090 120.528 120.500 -0.103 0.000 2.211 155 R HA -0.112 4.228 4.340 -0.000 0.000 0.240 155 R C 1.472 177.730 176.300 -0.071 0.000 1.144 155 R CA 1.582 57.631 56.100 -0.084 0.000 0.992 155 R CB -0.017 30.226 30.300 -0.095 0.000 0.869 155 R HN 0.126 nan 8.270 nan 0.000 0.462 156 R N -1.197 119.255 120.500 -0.079 0.000 2.468 156 R HA 0.113 4.453 4.340 -0.000 0.000 0.280 156 R C 0.163 176.424 176.300 -0.066 0.000 0.963 156 R CA 0.573 56.637 56.100 -0.060 0.000 1.083 156 R CB 0.810 31.080 30.300 -0.051 0.000 1.200 156 R HN 0.418 nan 8.270 nan 0.000 0.541 157 G N 0.830 109.583 108.800 -0.078 0.000 2.221 157 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.265 157 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.265 157 G C -0.175 174.651 174.900 -0.124 0.000 1.041 157 G CA 0.325 45.372 45.100 -0.090 0.000 0.807 157 G HN 0.157 nan 8.290 nan 0.000 0.502 158 V N 1.473 121.309 119.914 -0.131 0.000 2.394 158 V HA 0.437 4.557 4.120 -0.000 0.000 0.282 158 V C 1.056 177.027 176.094 -0.206 0.000 1.031 158 V CA -1.132 61.068 62.300 -0.166 0.000 0.881 158 V CB 1.445 33.197 31.823 -0.118 0.000 0.982 158 V HN 0.366 nan 8.190 nan 0.000 0.451 159 R N 2.945 123.220 120.500 -0.375 0.000 2.489 159 R HA 0.269 4.609 4.340 -0.000 0.000 0.287 159 R C -0.694 175.537 176.300 -0.115 0.000 1.053 159 R CA -0.203 55.655 56.100 -0.403 0.000 1.036 159 R CB 1.001 30.646 30.300 -1.090 0.000 0.966 159 R HN 0.477 nan 8.270 nan 0.000 0.432 160 V N 2.629 122.543 119.914 -0.000 0.000 2.350 160 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 160 V C 0.411 176.625 176.094 0.200 0.000 1.028 160 V CA -0.174 62.181 62.300 0.092 0.000 0.860 160 V CB 1.448 33.293 31.823 0.037 0.000 0.990 160 V HN 0.734 nan 8.190 nan 0.000 0.453 161 S N 5.897 121.778 115.700 0.301 0.000 2.454 161 S HA 0.802 5.272 4.470 -0.000 0.000 0.306 161 S C -1.078 173.708 174.600 0.310 0.000 1.100 161 S CA -0.576 57.872 58.200 0.414 0.000 1.087 161 S CB 1.234 64.809 63.200 0.625 0.000 1.019 161 S HN 0.633 nan 8.310 nan 0.000 0.480 162 L N 4.231 125.652 121.223 0.331 0.000 2.438 162 L HA 0.658 4.998 4.340 -0.000 0.000 0.270 162 L C -1.450 175.639 176.870 0.364 0.000 0.972 162 L CA -0.305 54.655 54.840 0.201 0.000 0.831 162 L CB 2.078 44.237 42.059 0.167 0.000 1.273 162 L HN 0.649 nan 8.230 nan 0.000 0.405 163 D N 4.018 124.591 120.400 0.289 0.000 2.412 163 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 163 D C 1.149 177.574 176.300 0.208 0.000 1.093 163 D CA -0.248 53.951 54.000 0.332 0.000 0.850 163 D CB 1.525 42.490 40.800 0.275 0.000 1.046 163 D HN 0.433 nan 8.370 nan 0.000 0.507 164 V N 3.976 124.019 119.914 0.215 0.000 2.226 164 V HA -0.353 3.767 4.120 -0.000 0.000 0.254 164 V C 0.951 177.155 176.094 0.184 0.000 1.065 164 V CA 1.697 64.111 62.300 0.190 0.000 1.039 164 V CB -0.914 31.014 31.823 0.174 0.000 0.653 164 V HN 0.799 nan 8.190 nan 0.000 0.450 165 N N -0.187 118.613 118.700 0.167 0.000 2.642 165 N HA -0.241 4.499 4.740 -0.000 0.000 0.269 165 N C -0.550 175.070 175.510 0.182 0.000 1.073 165 N CA 0.702 53.837 53.050 0.142 0.000 0.748 165 N CB -1.043 37.502 38.487 0.097 0.000 0.894 165 N HN 0.741 nan 8.380 nan 0.000 0.548 166 Y N 1.458 121.819 120.300 0.101 0.000 2.496 166 Y HA 0.175 4.725 4.550 -0.000 0.000 0.334 166 Y C 0.385 176.358 175.900 0.122 0.000 1.080 166 Y CA -0.114 58.062 58.100 0.127 0.000 1.355 166 Y CB 0.524 39.016 38.460 0.053 0.000 1.193 166 Y HN 0.033 nan 8.280 nan 0.000 0.523 167 R N 6.616 126.795 120.500 -0.536 0.000 2.246 167 R HA 0.134 4.474 4.340 -0.000 0.000 0.332 167 R C 0.707 176.460 176.300 -0.911 0.000 0.974 167 R CA -0.306 55.470 56.100 -0.539 0.000 0.837 167 R CB 1.248 31.371 30.300 -0.295 0.000 1.145 167 R HN 0.925 nan 8.270 nan 0.000 0.467 168 Q N 0.349 119.652 119.800 -0.829 0.000 2.170 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 168 Q C 0.955 176.867 176.000 -0.146 0.000 0.976 168 Q CA 1.625 57.200 55.803 -0.381 0.000 0.858 168 Q CB 0.047 28.809 28.738 0.039 0.000 0.907 168 Q HN 0.485 nan 8.270 nan 0.000 0.433 169 T N 1.692 116.135 114.554 -0.185 0.000 2.720 169 T HA -0.104 4.245 4.350 -0.000 0.000 0.268 169 T C 1.843 176.439 174.700 -0.174 0.000 1.037 169 T CA 1.000 63.003 62.100 -0.161 0.000 1.144 169 T CB -0.106 68.618 68.868 -0.240 0.000 0.864 169 T HN 0.214 nan 8.240 nan 0.000 0.444 170 L N -1.068 120.019 121.223 -0.227 0.000 2.131 170 L HA 0.159 4.499 4.340 -0.000 0.000 0.206 170 L C 0.884 177.734 176.870 -0.034 0.000 1.087 170 L CA 0.362 55.046 54.840 -0.261 0.000 0.767 170 L CB -0.133 41.619 42.059 -0.511 0.000 0.917 170 L HN 0.470 nan 8.230 nan 0.000 0.441 171 W N -1.657 119.560 121.300 -0.138 0.000 2.895 171 W HA 0.472 5.132 4.660 -0.000 0.000 0.377 171 W C -0.533 176.082 176.519 0.160 0.000 1.191 171 W CA -1.922 55.425 57.345 0.004 0.000 1.179 171 W CB -0.185 29.293 29.460 0.030 0.000 1.469 171 W HN -0.157 nan 8.180 nan 0.000 0.577 172 S N 0.041 115.928 115.700 0.312 0.000 2.617 172 S HA 0.483 4.953 4.470 -0.000 0.000 0.269 172 S C -1.870 172.688 174.600 -0.071 0.000 1.292 172 S CA -0.773 57.512 58.200 0.143 0.000 1.010 172 S CB 2.184 65.418 63.200 0.057 0.000 0.944 172 S HN 0.242 nan 8.310 nan 0.000 0.536 173 P HA -0.040 nan 4.420 nan 0.000 0.220 173 P C 0.799 177.879 177.300 -0.367 0.000 1.148 173 P CA 1.073 63.881 63.100 -0.487 0.000 0.803 173 P CB 0.055 31.492 31.700 -0.439 0.000 0.782 174 E N -0.096 119.960 120.200 -0.240 0.000 2.028 174 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 174 E C 1.939 178.422 176.600 -0.196 0.000 0.988 174 E CA 1.181 57.466 56.400 -0.192 0.000 0.799 174 E CB -0.872 28.761 29.700 -0.111 0.000 0.755 174 E HN 0.353 nan 8.360 nan 0.000 0.447 175 E N 0.678 120.770 120.200 -0.180 0.000 2.058 175 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 175 E C 2.072 178.379 176.600 -0.489 0.000 0.997 175 E CA 1.128 57.431 56.400 -0.163 0.000 0.801 175 E CB -0.249 29.480 29.700 0.047 0.000 0.746 175 E HN 0.280 nan 8.360 nan 0.000 0.450 176 A N 1.391 123.660 122.820 -0.919 0.000 1.865 176 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 176 A C 2.098 179.475 177.584 -0.345 0.000 1.191 176 A CA 1.693 53.121 52.037 -1.016 0.000 0.623 176 A CB -0.514 18.028 19.000 -0.765 0.000 0.826 176 A HN 0.074 nan 8.150 nan 0.000 0.444 177 R N -1.098 119.231 120.500 -0.285 0.000 2.080 177 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 177 R C 2.431 178.695 176.300 -0.061 0.000 1.137 177 R CA 1.465 57.469 56.100 -0.160 0.000 0.943 177 R CB -0.799 29.342 30.300 -0.265 0.000 0.846 177 R HN 0.556 nan 8.270 nan 0.000 0.431 178 G N 0.329 109.086 108.800 -0.073 0.000 2.476 178 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 178 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 178 G C 1.253 176.179 174.900 0.043 0.000 1.164 178 G CA 0.878 45.973 45.100 -0.009 0.000 0.768 178 G HN 0.331 nan 8.290 nan 0.000 0.560 179 F N 1.332 121.265 119.950 -0.028 0.000 2.043 179 F HA -0.122 4.405 4.527 -0.000 0.000 0.297 179 F C 2.626 178.468 175.800 0.070 0.000 1.121 179 F CA 1.710 59.757 58.000 0.078 0.000 1.199 179 F CB -0.377 38.732 39.000 0.181 0.000 0.968 179 F HN 0.063 nan 8.300 nan 0.000 0.478 180 L N 0.108 121.497 121.223 0.277 0.000 2.013 180 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 180 L C 2.400 179.292 176.870 0.037 0.000 1.073 180 L CA 2.080 57.034 54.840 0.190 0.000 0.753 180 L CB -1.030 41.158 42.059 0.216 0.000 0.890 180 L HN 0.243 nan 8.230 nan 0.000 0.432 181 E N -0.495 119.723 120.200 0.030 0.000 2.160 181 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 181 E C 2.314 178.885 176.600 -0.048 0.000 0.991 181 E CA 0.926 57.331 56.400 0.008 0.000 0.810 181 E CB -0.084 29.624 29.700 0.014 0.000 0.742 181 E HN 0.337 nan 8.360 nan 0.000 0.466 182 R N -0.030 120.402 120.500 -0.114 0.000 2.161 182 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 182 R C 1.959 178.137 176.300 -0.204 0.000 1.055 182 R CA 0.925 56.929 56.100 -0.159 0.000 0.996 182 R CB 0.114 30.289 30.300 -0.208 0.000 0.901 182 R HN 0.112 nan 8.270 nan 0.000 0.456 183 A N 0.953 123.612 122.820 -0.269 0.000 1.924 183 A HA -0.031 4.289 4.320 -0.000 0.000 0.211 183 A C 1.848 179.395 177.584 -0.061 0.000 1.198 183 A CA 0.204 52.115 52.037 -0.210 0.000 0.657 183 A CB -0.429 18.405 19.000 -0.277 0.000 0.852 183 A HN 0.296 nan 8.150 nan 0.000 0.454 184 L N 1.116 122.327 121.223 -0.020 0.000 2.054 184 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 184 L C -0.778 176.088 176.870 -0.008 0.000 1.081 184 L CA 2.862 57.706 54.840 0.006 0.000 0.780 184 L CB -1.945 40.120 42.059 0.009 0.000 0.893 184 L HN 0.154 nan 8.230 nan 0.000 0.438 185 P HA -0.142 nan 4.420 nan 0.000 0.218 185 P C 1.306 178.592 177.300 -0.023 0.000 1.152 185 P CA 2.048 65.134 63.100 -0.024 0.000 0.857 185 P CB -0.403 31.277 31.700 -0.033 0.000 0.787 186 G N -1.697 107.087 108.800 -0.027 0.000 3.141 186 G HA2 0.168 4.128 3.960 -0.000 0.000 0.218 186 G HA3 0.168 4.128 3.960 -0.000 0.000 0.218 186 G C 0.059 174.954 174.900 -0.008 0.000 1.170 186 G CA -0.023 45.060 45.100 -0.027 0.000 0.769 186 G HN 0.144 nan 8.290 nan 0.000 0.546 187 V N 0.962 120.882 119.914 0.010 0.000 2.481 187 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 187 V C 0.136 176.248 176.094 0.029 0.000 1.042 187 V CA -0.495 61.827 62.300 0.036 0.000 0.928 187 V CB 1.785 33.642 31.823 0.057 0.000 0.986 187 V HN 0.118 nan 8.190 nan 0.000 0.462 188 D N 2.408 122.835 120.400 0.046 0.000 2.431 188 D HA 0.202 4.842 4.640 -0.000 0.000 0.227 188 D C -0.037 176.307 176.300 0.073 0.000 1.030 188 D CA 0.363 54.389 54.000 0.043 0.000 0.897 188 D CB 0.576 41.390 40.800 0.023 0.000 1.058 188 D HN 0.300 nan 8.370 nan 0.000 0.500 189 L N 1.188 122.477 121.223 0.110 0.000 2.406 189 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 189 L C -1.832 175.058 176.870 0.032 0.000 0.980 189 L CA -0.995 53.889 54.840 0.074 0.000 0.831 189 L CB 1.760 43.925 42.059 0.178 0.000 1.253 189 L HN -0.176 nan 8.230 nan 0.000 0.406 190 L N 5.140 126.309 121.223 -0.089 0.000 2.356 190 L HA 0.664 5.003 4.340 -0.000 0.000 0.277 190 L C -1.492 175.279 176.870 -0.164 0.000 0.996 190 L CA -0.011 54.808 54.840 -0.036 0.000 0.822 190 L CB 1.517 43.578 42.059 0.004 0.000 1.256 190 L HN 0.428 nan 8.230 nan 0.000 0.413 191 F N 6.103 126.115 119.950 0.103 0.000 2.420 191 F HA 0.703 5.230 4.527 -0.000 0.000 0.342 191 F C -0.288 175.553 175.800 0.068 0.000 1.113 191 F CA -0.517 57.540 58.000 0.095 0.000 1.059 191 F CB 1.773 40.866 39.000 0.155 0.000 1.128 191 F HN 0.385 nan 8.300 nan 0.000 0.475 192 L N 2.750 124.089 121.223 0.194 0.000 2.465 192 L HA 0.687 5.027 4.340 -0.000 0.000 0.257 192 L C -0.698 176.192 176.870 0.034 0.000 0.988 192 L CA -0.471 54.423 54.840 0.089 0.000 0.827 192 L CB 2.208 44.268 42.059 0.002 0.000 1.397 192 L HN 0.549 nan 8.230 nan 0.000 0.410 193 S N 1.688 117.397 115.700 0.015 0.000 2.638 193 S HA 0.516 4.986 4.470 -0.000 0.000 0.298 193 S C 0.587 175.158 174.600 -0.048 0.000 1.111 193 S CA -0.327 57.854 58.200 -0.031 0.000 1.027 193 S CB 1.491 64.681 63.200 -0.016 0.000 1.064 193 S HN 0.768 nan 8.310 nan 0.000 0.525 194 E N 1.001 121.153 120.200 -0.081 0.000 2.038 194 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 194 E C 1.662 178.238 176.600 -0.042 0.000 1.000 194 E CA 1.896 58.247 56.400 -0.081 0.000 0.803 194 E CB -0.206 29.429 29.700 -0.109 0.000 0.750 194 E HN 0.801 nan 8.360 nan 0.000 0.448 195 E N 1.014 121.197 120.200 -0.029 0.000 2.070 195 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 195 E C 1.906 178.510 176.600 0.006 0.000 1.004 195 E CA 1.423 57.819 56.400 -0.007 0.000 0.805 195 E CB -0.180 29.525 29.700 0.007 0.000 0.744 195 E HN 0.317 nan 8.360 nan 0.000 0.451 196 E N 0.379 120.591 120.200 0.021 0.000 2.085 196 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 196 E C 2.116 178.735 176.600 0.033 0.000 0.994 196 E CA 1.070 57.491 56.400 0.035 0.000 0.801 196 E CB -0.240 29.504 29.700 0.074 0.000 0.743 196 E HN 0.312 nan 8.360 nan 0.000 0.453 197 A N 1.379 124.213 122.820 0.023 0.000 1.898 197 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 197 A C 1.998 179.639 177.584 0.094 0.000 1.181 197 A CA 1.414 53.477 52.037 0.044 0.000 0.620 197 A CB -0.365 18.604 19.000 -0.051 0.000 0.819 197 A HN 0.156 nan 8.150 nan 0.000 0.442 198 E N -0.590 119.629 120.200 0.031 0.000 2.031 198 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 198 E C 1.912 178.514 176.600 0.003 0.000 0.994 198 E CA 1.013 57.426 56.400 0.021 0.000 0.800 198 E CB -0.226 29.473 29.700 -0.003 0.000 0.752 198 E HN 0.570 nan 8.360 nan 0.000 0.447 199 L N 0.393 121.601 121.223 -0.025 0.000 2.353 199 L HA -0.155 4.185 4.340 -0.000 0.000 0.220 199 L C 1.459 178.230 176.870 -0.164 0.000 1.133 199 L CA 0.713 55.500 54.840 -0.088 0.000 0.798 199 L CB 0.217 42.218 42.059 -0.097 0.000 0.922 199 L HN 0.138 nan 8.230 nan 0.000 0.445 200 L N -3.013 118.149 121.223 -0.102 0.000 2.920 200 L HA 0.155 4.495 4.340 -0.000 0.000 0.257 200 L C 0.130 176.729 176.870 -0.451 0.000 1.150 200 L CA -0.024 54.675 54.840 -0.235 0.000 0.959 200 L CB 0.712 42.681 42.059 -0.149 0.000 1.321 200 L HN -0.024 nan 8.230 nan 0.000 0.555 201 F N -1.248 118.640 119.950 -0.103 0.000 2.936 201 F HA 0.435 4.962 4.527 0.000 0.000 0.334 201 F C 1.553 177.317 175.800 -0.060 0.000 1.170 201 F CA 0.144 58.098 58.000 -0.076 0.000 1.104 201 F CB 0.727 39.686 39.000 -0.067 0.000 1.216 201 F HN -0.038 nan 8.300 nan 0.000 0.518 202 G N 1.162 109.984 108.800 0.036 0.000 3.548 202 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.224 202 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.224 202 G C 0.690 175.613 174.900 0.038 0.000 1.351 202 G CA 0.297 45.408 45.100 0.018 0.000 0.905 202 G HN 0.319 nan 8.290 nan 0.000 0.561 203 R N -0.670 119.871 120.500 0.069 0.000 2.750 203 R HA 0.536 4.876 4.340 -0.000 0.000 0.281 203 R C 1.317 177.641 176.300 0.040 0.000 0.972 203 R CA -0.296 55.832 56.100 0.046 0.000 0.912 203 R CB 2.066 32.389 30.300 0.038 0.000 1.187 203 R HN 0.128 nan 8.270 nan 0.000 0.464 204 V N 1.464 121.382 119.914 0.007 0.000 3.186 204 V HA -0.190 3.929 4.120 -0.000 0.000 0.270 204 V C 1.407 177.482 176.094 -0.032 0.000 1.149 204 V CA 1.665 63.947 62.300 -0.030 0.000 1.160 204 V CB -0.670 31.128 31.823 -0.042 0.000 0.758 204 V HN 0.749 nan 8.190 nan 0.000 0.516 205 E N 0.194 120.397 120.200 0.006 0.000 2.030 205 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 205 E C 2.271 178.860 176.600 -0.018 0.000 0.974 205 E CA 0.805 57.214 56.400 0.014 0.000 0.807 205 E CB -0.180 29.545 29.700 0.042 0.000 0.771 205 E HN 0.475 nan 8.360 nan 0.000 0.451 206 E N 1.098 121.307 120.200 0.014 0.000 2.058 206 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 206 E C 1.822 178.356 176.600 -0.110 0.000 0.997 206 E CA 1.564 57.984 56.400 0.033 0.000 0.801 206 E CB -0.482 29.306 29.700 0.147 0.000 0.746 206 E HN 0.235 nan 8.360 nan 0.000 0.450 207 A N 0.781 123.448 122.820 -0.255 0.000 1.915 207 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 207 A C 2.444 179.644 177.584 -0.640 0.000 1.198 207 A CA 2.027 53.512 52.037 -0.919 0.000 0.647 207 A CB -1.042 17.607 19.000 -0.584 0.000 0.825 207 A HN 0.378 nan 8.150 nan 0.000 0.456 208 L N -1.519 119.490 121.223 -0.357 0.000 2.046 208 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 208 L C 2.811 179.561 176.870 -0.201 0.000 1.077 208 L CA 1.861 56.527 54.840 -0.291 0.000 0.747 208 L CB -0.502 41.419 42.059 -0.230 0.000 0.896 208 L HN 0.478 nan 8.230 nan 0.000 0.432 209 R N 0.206 120.620 120.500 -0.142 0.000 2.066 209 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 209 R C 2.362 178.613 176.300 -0.082 0.000 1.131 209 R CA 1.409 57.465 56.100 -0.072 0.000 0.955 209 R CB -0.210 30.075 30.300 -0.026 0.000 0.851 209 R HN 0.332 nan 8.270 nan 0.000 0.432 210 A N 1.187 123.930 122.820 -0.128 0.000 1.841 210 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 210 A C 1.324 178.835 177.584 -0.121 0.000 1.195 210 A CA 0.884 52.875 52.037 -0.077 0.000 0.611 210 A CB -0.393 18.619 19.000 0.020 0.000 0.835 210 A HN 0.306 nan 8.150 nan 0.000 0.443 211 L N 2.148 123.211 121.223 -0.268 0.000 2.466 211 L HA 0.172 4.512 4.340 -0.000 0.000 0.248 211 L C 0.017 176.799 176.870 -0.147 0.000 1.240 211 L CA -0.239 54.488 54.840 -0.188 0.000 1.180 211 L CB -0.059 41.849 42.059 -0.251 0.000 1.413 211 L HN 0.365 nan 8.230 nan 0.000 0.406 212 S N 0.260 115.906 115.700 -0.090 0.000 3.363 212 S HA 0.599 5.069 4.470 -0.000 0.000 0.267 212 S C 0.382 174.963 174.600 -0.032 0.000 1.288 212 S CA -0.767 57.397 58.200 -0.060 0.000 0.948 212 S CB 0.873 64.052 63.200 -0.034 0.000 1.397 212 S HN 0.443 nan 8.310 nan 0.000 0.493 213 A N 3.670 126.469 122.820 -0.034 0.000 2.286 213 A HA 0.677 4.997 4.320 -0.000 0.000 0.286 213 A C -1.082 176.507 177.584 0.008 0.000 1.097 213 A CA -1.963 50.068 52.037 -0.011 0.000 0.821 213 A CB -0.163 18.832 19.000 -0.010 0.000 1.076 213 A HN 0.490 nan 8.150 nan 0.000 0.490 214 P HA -0.177 nan 4.420 nan 0.000 0.220 214 P C 0.218 177.548 177.300 0.049 0.000 1.155 214 P CA 1.830 64.948 63.100 0.029 0.000 0.880 214 P CB 0.286 32.001 31.700 0.025 0.000 0.790 215 E N -1.109 119.119 120.200 0.046 0.000 2.278 215 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 215 E C -1.814 174.785 176.600 -0.002 0.000 0.890 215 E CA -0.671 55.764 56.400 0.059 0.000 0.770 215 E CB 1.543 31.294 29.700 0.086 0.000 1.212 215 E HN -0.349 nan 8.360 nan 0.000 0.415 216 V N 4.074 123.993 119.914 0.009 0.000 2.638 216 V HA 0.461 4.581 4.120 -0.000 0.000 0.306 216 V C -0.661 175.392 176.094 -0.068 0.000 1.052 216 V CA -0.861 61.384 62.300 -0.092 0.000 0.885 216 V CB 1.822 33.556 31.823 -0.149 0.000 0.999 216 V HN 0.507 nan 8.190 nan 0.000 0.424 217 V N 5.400 125.198 119.914 -0.193 0.000 2.495 217 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 217 V C -0.597 175.490 176.094 -0.012 0.000 1.031 217 V CA -0.632 61.605 62.300 -0.106 0.000 0.871 217 V CB 1.814 33.429 31.823 -0.346 0.000 0.988 217 V HN 0.680 nan 8.190 nan 0.000 0.432 218 L N 5.822 127.075 121.223 0.049 0.000 2.298 218 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 218 L C 0.024 176.863 176.870 -0.052 0.000 1.013 218 L CA -0.253 54.575 54.840 -0.019 0.000 0.824 218 L CB 1.023 43.034 42.059 -0.079 0.000 1.221 218 L HN 0.572 nan 8.230 nan 0.000 0.418 219 K N 5.506 125.854 120.400 -0.087 0.000 2.322 219 K HA 0.372 4.692 4.320 -0.000 0.000 0.283 219 K C -0.391 176.079 176.600 -0.216 0.000 1.042 219 K CA -0.049 56.104 56.287 -0.222 0.000 0.958 219 K CB 0.644 32.995 32.500 -0.248 0.000 0.984 219 K HN 0.532 nan 8.250 nan 0.000 0.473 220 R N 2.337 122.684 120.500 -0.255 0.000 2.886 220 R HA 0.182 4.522 4.340 -0.000 0.000 0.306 220 R C 0.453 176.637 176.300 -0.194 0.000 1.300 220 R CA -0.285 55.665 56.100 -0.250 0.000 1.441 220 R CB 0.872 30.947 30.300 -0.375 0.000 1.328 220 R HN 0.978 nan 8.270 nan 0.000 0.629 221 G N 1.525 110.227 108.800 -0.164 0.000 2.594 221 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.297 221 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.297 221 G C 0.805 175.642 174.900 -0.105 0.000 1.273 221 G CA 0.259 45.287 45.100 -0.120 0.000 0.974 221 G HN 0.498 nan 8.290 nan 0.000 0.552 222 A N -0.347 122.435 122.820 -0.063 0.000 2.235 222 A HA 0.294 4.614 4.320 -0.000 0.000 0.208 222 A C 1.656 179.216 177.584 -0.039 0.000 1.172 222 A CA 1.651 53.674 52.037 -0.022 0.000 0.786 222 A CB -0.209 18.793 19.000 0.003 0.000 0.804 222 A HN 0.549 nan 8.150 nan 0.000 0.479 223 K N 0.614 120.966 120.400 -0.080 0.000 2.911 223 K HA 0.346 4.666 4.320 -0.000 0.000 0.239 223 K C 1.151 177.688 176.600 -0.105 0.000 1.090 223 K CA 0.242 56.474 56.287 -0.091 0.000 1.225 223 K CB -0.454 31.973 32.500 -0.122 0.000 1.087 223 K HN 0.513 nan 8.250 nan 0.000 0.464 224 G N 1.405 110.161 108.800 -0.072 0.000 2.531 224 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.274 224 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.274 224 G C -0.310 174.539 174.900 -0.084 0.000 1.159 224 G CA -0.332 44.748 45.100 -0.033 0.000 0.969 224 G HN 0.689 nan 8.290 nan 0.000 0.554 225 A N -2.915 119.883 122.820 -0.037 0.000 2.522 225 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 225 A C -1.965 175.726 177.584 0.179 0.000 1.039 225 A CA 0.348 52.343 52.037 -0.072 0.000 0.643 225 A CB 0.412 19.422 19.000 0.015 0.000 1.310 225 A HN 1.728 nan 8.150 nan 0.000 0.436 226 W N -0.157 121.238 121.300 0.157 0.000 2.819 226 W HA 0.741 5.401 4.660 -0.000 0.000 0.337 226 W C 0.092 176.795 176.519 0.308 0.000 1.077 226 W CA -0.836 56.640 57.345 0.218 0.000 1.226 226 W CB 1.944 31.619 29.460 0.359 0.000 1.419 226 W HN 1.291 nan 8.180 nan 0.000 0.502 227 A N 3.106 126.155 122.820 0.382 0.000 2.317 227 A HA 0.861 5.181 4.320 -0.000 0.000 0.327 227 A C -1.618 176.089 177.584 0.204 0.000 1.178 227 A CA -0.529 51.687 52.037 0.299 0.000 0.817 227 A CB 0.405 19.515 19.000 0.183 0.000 1.189 227 A HN 0.452 nan 8.150 nan 0.000 0.489 228 F N 2.815 122.786 119.950 0.035 0.000 2.359 228 F HA 0.486 5.013 4.527 0.000 0.000 0.369 228 F C -0.221 175.587 175.800 0.013 0.000 1.084 228 F CA -0.572 57.438 58.000 0.018 0.000 1.096 228 F CB 1.780 40.788 39.000 0.013 0.000 1.335 228 F HN 0.384 nan 8.300 nan 0.000 0.457 229 V N -0.710 119.259 119.914 0.093 0.000 2.841 229 V HA 0.448 4.568 4.120 -0.000 0.000 0.310 229 V C -0.915 175.194 176.094 0.026 0.000 1.090 229 V CA -1.525 60.820 62.300 0.075 0.000 0.930 229 V CB 1.734 33.605 31.823 0.081 0.000 1.014 229 V HN 0.592 nan 8.190 nan 0.000 0.425 230 D N 2.557 122.974 120.400 0.029 0.000 2.697 230 D HA -0.128 4.512 4.640 -0.000 0.000 0.238 230 D C 1.413 177.708 176.300 -0.008 0.000 1.152 230 D CA 1.882 55.887 54.000 0.009 0.000 0.666 230 D CB -1.356 39.445 40.800 0.002 0.000 1.037 230 D HN 1.878 nan 8.370 nan 0.000 0.423 231 G N -0.443 108.361 108.800 0.006 0.000 2.219 231 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.271 231 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.271 231 G C 0.548 175.407 174.900 -0.067 0.000 0.991 231 G CA 1.055 46.150 45.100 -0.009 0.000 0.685 231 G HN 0.731 nan 8.290 nan 0.000 0.531 232 R N -0.213 120.232 120.500 -0.092 0.000 2.596 232 R HA 0.677 5.017 4.340 -0.000 0.000 0.267 232 R C 0.060 176.160 176.300 -0.333 0.000 1.026 232 R CA -0.902 55.097 56.100 -0.167 0.000 1.087 232 R CB 0.484 30.718 30.300 -0.111 0.000 1.132 232 R HN 0.216 nan 8.270 nan 0.000 0.531 233 R N 2.206 122.431 120.500 -0.458 0.000 2.639 233 R HA 0.232 4.572 4.340 -0.000 0.000 0.273 233 R C -1.004 174.979 176.300 -0.529 0.000 1.732 233 R CA -0.522 55.105 56.100 -0.790 0.000 1.586 233 R CB 1.510 31.152 30.300 -1.096 0.000 1.263 233 R HN 0.264 nan 8.270 nan 0.000 0.615 234 V N 1.549 121.295 119.914 -0.280 0.000 2.715 234 V HA 0.058 4.178 4.120 -0.000 0.000 0.299 234 V C 0.743 176.815 176.094 -0.036 0.000 1.054 234 V CA 0.067 62.286 62.300 -0.135 0.000 1.077 234 V CB 1.359 33.171 31.823 -0.019 0.000 0.972 234 V HN 0.546 nan 8.190 nan 0.000 0.484 235 E N 2.174 122.381 120.200 0.012 0.000 2.204 235 E HA 0.595 4.945 4.350 -0.000 0.000 0.276 235 E C 0.058 176.789 176.600 0.218 0.000 0.974 235 E CA -0.450 56.105 56.400 0.258 0.000 0.815 235 E CB 1.656 31.494 29.700 0.230 0.000 1.119 235 E HN 0.821 nan 8.360 nan 0.000 0.393 236 G N 1.239 110.199 108.800 0.268 0.000 2.461 236 G HA2 0.210 4.170 3.960 -0.000 0.000 0.329 236 G HA3 0.210 4.170 3.960 -0.000 0.000 0.329 236 G C -0.617 174.344 174.900 0.101 0.000 1.170 236 G CA -0.634 44.583 45.100 0.195 0.000 0.935 236 G HN 0.445 nan 8.290 nan 0.000 0.492 237 S N -0.321 115.404 115.700 0.042 0.000 2.525 237 S HA 0.432 4.902 4.470 -0.000 0.000 0.285 237 S C 0.827 175.258 174.600 -0.282 0.000 1.283 237 S CA -0.066 58.033 58.200 -0.168 0.000 1.072 237 S CB -0.272 62.755 63.200 -0.288 0.000 0.867 237 S HN 1.060 nan 8.310 nan 0.000 0.492 238 A N 4.836 127.484 122.820 -0.288 0.000 2.351 238 A HA 0.646 4.966 4.320 -0.000 0.000 0.257 238 A C -0.598 176.731 177.584 -0.425 0.000 1.087 238 A CA -0.293 51.615 52.037 -0.214 0.000 0.798 238 A CB 0.099 19.028 19.000 -0.117 0.000 1.033 238 A HN 0.822 nan 8.150 nan 0.000 0.488 239 F N 0.555 120.508 119.950 0.006 0.000 2.507 239 F HA 0.501 5.028 4.527 -0.000 0.000 0.328 239 F C 0.803 176.600 175.800 -0.004 0.000 1.136 239 F CA -0.246 57.759 58.000 0.008 0.000 0.930 239 F CB 2.259 41.267 39.000 0.015 0.000 1.166 239 F HN 0.626 nan 8.300 nan 0.000 0.436 240 A N 3.970 126.919 122.820 0.216 0.000 3.019 240 A HA 0.447 4.767 4.320 -0.000 0.000 0.262 240 A C -0.435 177.216 177.584 0.111 0.000 1.509 240 A CA -0.124 51.984 52.037 0.118 0.000 1.159 240 A CB -0.495 18.548 19.000 0.072 0.000 1.042 240 A HN 0.482 nan 8.150 nan 0.000 0.641 241 V N 0.493 120.475 119.914 0.114 0.000 2.667 241 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 241 V C -0.205 175.900 176.094 0.018 0.000 1.048 241 V CA -0.862 61.468 62.300 0.050 0.000 0.928 241 V CB 1.858 33.689 31.823 0.013 0.000 1.004 241 V HN 0.753 nan 8.190 nan 0.000 0.444 242 E N 5.126 125.323 120.200 -0.005 0.000 2.249 242 E HA 0.693 5.043 4.350 -0.000 0.000 0.280 242 E C -0.197 176.375 176.600 -0.046 0.000 1.016 242 E CA -0.568 55.819 56.400 -0.022 0.000 0.830 242 E CB 1.701 31.386 29.700 -0.024 0.000 1.081 242 E HN 0.916 nan 8.360 nan 0.000 0.395 243 A N 3.369 126.155 122.820 -0.055 0.000 2.477 243 A HA 0.189 4.509 4.320 -0.000 0.000 0.246 243 A C 0.685 178.198 177.584 -0.117 0.000 1.078 243 A CA -0.539 51.449 52.037 -0.081 0.000 0.770 243 A CB 0.793 19.747 19.000 -0.076 0.000 1.011 243 A HN 0.615 nan 8.150 nan 0.000 0.494 244 V N 1.407 121.236 119.914 -0.141 0.000 2.490 244 V HA 0.093 4.213 4.120 -0.000 0.000 0.238 244 V C 0.481 176.399 176.094 -0.292 0.000 1.056 244 V CA 1.870 64.053 62.300 -0.196 0.000 1.075 244 V CB -0.132 31.598 31.823 -0.155 0.000 0.746 244 V HN 0.953 nan 8.190 nan 0.000 0.479 245 D N -0.118 120.152 120.400 -0.217 0.000 2.381 245 D HA 0.229 4.869 4.640 -0.000 0.000 0.245 245 D C -2.199 174.032 176.300 -0.115 0.000 1.297 245 D CA -1.460 52.422 54.000 -0.196 0.000 0.931 245 D CB 1.554 42.244 40.800 -0.182 0.000 1.334 245 D HN 0.142 nan 8.370 nan 0.000 0.535 246 P HA -0.037 nan 4.420 nan 0.000 0.251 246 P C 0.249 177.529 177.300 -0.035 0.000 1.251 246 P CA 0.089 63.153 63.100 -0.059 0.000 0.763 246 P CB 0.114 31.782 31.700 -0.053 0.000 1.067 247 V N 0.107 120.007 119.914 -0.023 0.000 2.248 247 V HA 0.405 4.524 4.120 -0.000 0.000 0.309 247 V C 1.625 177.722 176.094 0.006 0.000 1.722 247 V CA 0.773 63.079 62.300 0.009 0.000 1.693 247 V CB -0.803 31.056 31.823 0.060 0.000 1.470 247 V HN 0.368 nan 8.190 nan 0.000 0.518 248 G N 0.554 109.350 108.800 -0.007 0.000 4.106 248 G HA2 0.061 4.021 3.960 -0.000 0.000 0.220 248 G HA3 0.061 4.021 3.960 -0.000 0.000 0.220 248 G C 0.851 175.746 174.900 -0.008 0.000 0.853 248 G CA 0.377 45.477 45.100 0.001 0.000 0.920 248 G HN 0.585 nan 8.290 nan 0.000 0.715 249 A N 0.832 123.642 122.820 -0.017 0.000 1.930 249 A HA 0.342 4.662 4.320 -0.000 0.000 0.217 249 A C 2.664 180.262 177.584 0.023 0.000 1.175 249 A CA 2.576 54.609 52.037 -0.006 0.000 0.627 249 A CB -0.919 18.064 19.000 -0.027 0.000 0.815 249 A HN 1.271 nan 8.150 nan 0.000 0.443 250 G N 0.263 109.062 108.800 -0.001 0.000 2.469 250 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 250 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 250 G C 1.103 176.012 174.900 0.015 0.000 1.150 250 G CA 1.379 46.483 45.100 0.007 0.000 0.763 250 G HN 0.517 nan 8.290 nan 0.000 0.561 251 D N 1.041 121.432 120.400 -0.016 0.000 2.123 251 D HA 0.032 4.672 4.640 -0.000 0.000 0.200 251 D C 2.842 179.077 176.300 -0.108 0.000 0.976 251 D CA 1.113 55.068 54.000 -0.075 0.000 0.831 251 D CB -0.736 40.037 40.800 -0.045 0.000 0.974 251 D HN 0.310 nan 8.370 nan 0.000 0.469 252 A N 0.879 123.672 122.820 -0.045 0.000 1.917 252 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 252 A C 2.104 179.666 177.584 -0.036 0.000 1.182 252 A CA 1.229 53.235 52.037 -0.051 0.000 0.633 252 A CB -1.088 17.901 19.000 -0.017 0.000 0.819 252 A HN 0.217 nan 8.150 nan 0.000 0.448 253 F N 0.902 120.778 119.950 -0.124 0.000 2.046 253 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 253 F C 2.611 178.329 175.800 -0.138 0.000 1.123 253 F CA 1.421 59.373 58.000 -0.081 0.000 1.199 253 F CB -0.752 38.217 39.000 -0.052 0.000 0.972 253 F HN 0.267 nan 8.300 nan 0.000 0.474 254 A N 0.592 123.219 122.820 -0.323 0.000 1.873 254 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 254 A C 2.460 179.706 177.584 -0.564 0.000 1.193 254 A CA 2.571 54.057 52.037 -0.917 0.000 0.629 254 A CB -1.754 16.482 19.000 -1.273 0.000 0.826 254 A HN 0.608 nan 8.150 nan 0.000 0.447 255 A N -0.643 121.910 122.820 -0.444 0.000 1.873 255 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 255 A C 2.549 179.946 177.584 -0.312 0.000 1.193 255 A CA 2.443 54.263 52.037 -0.363 0.000 0.629 255 A CB -1.681 17.150 19.000 -0.282 0.000 0.826 255 A HN 0.970 nan 8.150 nan 0.000 0.447 256 G N -1.988 106.653 108.800 -0.264 0.000 2.476 256 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 256 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 256 G C 1.575 176.340 174.900 -0.225 0.000 1.164 256 G CA 1.440 46.405 45.100 -0.225 0.000 0.768 256 G HN 0.559 nan 8.290 nan 0.000 0.560 257 Y N 0.961 121.037 120.300 -0.373 0.000 2.224 257 Y HA 0.033 4.583 4.550 -0.000 0.000 0.289 257 Y C 2.693 178.461 175.900 -0.219 0.000 1.146 257 Y CA 0.964 58.920 58.100 -0.240 0.000 1.182 257 Y CB -0.136 38.281 38.460 -0.072 0.000 0.983 257 Y HN 0.102 nan 8.280 nan 0.000 0.524 258 L N -1.122 119.976 121.223 -0.209 0.000 2.017 258 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 258 L C 2.724 179.242 176.870 -0.588 0.000 1.073 258 L CA 1.266 55.849 54.840 -0.429 0.000 0.745 258 L CB -1.114 40.693 42.059 -0.421 0.000 0.894 258 L HN 0.275 nan 8.230 nan 0.000 0.432 259 A N 0.408 122.871 122.820 -0.595 0.000 1.917 259 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 259 A C 2.373 179.411 177.584 -0.910 0.000 1.182 259 A CA 1.962 53.438 52.037 -0.935 0.000 0.633 259 A CB -1.324 17.132 19.000 -0.906 0.000 0.819 259 A HN 0.480 nan 8.150 nan 0.000 0.448 260 G N -0.586 107.917 108.800 -0.494 0.000 2.459 260 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.217 260 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.217 260 G C 1.806 176.558 174.900 -0.246 0.000 1.183 260 G CA 1.735 46.690 45.100 -0.242 0.000 0.776 260 G HN 0.876 nan 8.290 nan 0.000 0.552 261 A N 0.082 122.661 122.820 -0.403 0.000 1.877 261 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 261 A C 2.596 180.086 177.584 -0.157 0.000 1.186 261 A CA 1.977 53.849 52.037 -0.274 0.000 0.620 261 A CB -0.773 18.012 19.000 -0.357 0.000 0.822 261 A HN 0.323 nan 8.150 nan 0.000 0.443 262 V N -1.847 117.865 119.914 -0.337 0.000 2.469 262 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 262 V C 1.940 178.014 176.094 -0.035 0.000 1.064 262 V CA 1.407 63.581 62.300 -0.211 0.000 1.066 262 V CB -0.869 30.688 31.823 -0.443 0.000 0.667 262 V HN 0.799 nan 8.190 nan 0.000 0.461 263 W N -0.033 121.235 121.300 -0.053 0.000 3.353 263 W HA 0.467 5.127 4.660 0.000 0.000 0.304 263 W C 1.607 178.109 176.519 -0.029 0.000 1.273 263 W CA 0.176 57.499 57.345 -0.036 0.000 1.773 263 W CB -1.014 28.416 29.460 -0.050 0.000 1.095 263 W HN 0.428 nan 8.180 nan 0.000 0.676 264 G N 1.915 110.808 108.800 0.155 0.000 2.350 264 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.298 264 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.298 264 G C -0.177 174.766 174.900 0.072 0.000 1.037 264 G CA -0.057 45.099 45.100 0.094 0.000 1.074 264 G HN 0.178 nan 8.290 nan 0.000 0.511 265 L N -0.454 120.799 121.223 0.051 0.000 2.360 265 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 265 L C -1.845 175.021 176.870 -0.006 0.000 1.057 265 L CA -2.545 52.315 54.840 0.035 0.000 0.803 265 L CB 1.384 43.478 42.059 0.058 0.000 1.207 265 L HN -0.105 nan 8.230 nan 0.000 0.445 266 P HA -0.018 nan 4.420 nan 0.000 0.265 266 P C 1.015 178.320 177.300 0.009 0.000 1.193 266 P CA -0.157 62.950 63.100 0.011 0.000 0.765 266 P CB 0.729 32.441 31.700 0.020 0.000 0.823 267 V N 2.810 122.740 119.914 0.027 0.000 2.357 267 V HA -0.321 3.799 4.120 -0.000 0.000 0.257 267 V C 1.921 178.093 176.094 0.128 0.000 1.082 267 V CA 2.073 64.424 62.300 0.085 0.000 1.078 267 V CB -1.072 30.826 31.823 0.125 0.000 0.663 267 V HN 0.599 nan 8.190 nan 0.000 0.455 268 E N 0.196 120.450 120.200 0.089 0.000 2.038 268 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 268 E C 2.208 178.872 176.600 0.106 0.000 1.000 268 E CA 1.600 58.060 56.400 0.099 0.000 0.803 268 E CB -0.351 29.387 29.700 0.063 0.000 0.750 268 E HN 0.714 nan 8.360 nan 0.000 0.448 269 E N 0.183 120.424 120.200 0.070 0.000 2.150 269 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 269 E C 2.070 178.702 176.600 0.054 0.000 0.985 269 E CA 0.738 57.178 56.400 0.067 0.000 0.814 269 E CB -0.035 29.695 29.700 0.051 0.000 0.752 269 E HN 0.163 nan 8.360 nan 0.000 0.466 270 R N 0.463 120.954 120.500 -0.016 0.000 2.073 270 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 270 R C 2.426 178.824 176.300 0.165 0.000 1.134 270 R CA 1.035 57.022 56.100 -0.188 0.000 0.952 270 R CB -0.472 29.343 30.300 -0.809 0.000 0.850 270 R HN 0.163 nan 8.270 nan 0.000 0.433 271 L N 0.393 121.850 121.223 0.388 0.000 1.961 271 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 271 L C 2.884 179.924 176.870 0.284 0.000 1.072 271 L CA 1.393 56.469 54.840 0.393 0.000 0.749 271 L CB -0.605 41.662 42.059 0.346 0.000 0.889 271 L HN 0.211 nan 8.230 nan 0.000 0.432 272 R N 0.165 120.806 120.500 0.236 0.000 2.159 272 R HA -0.288 4.052 4.340 -0.000 0.000 0.249 272 R C 2.338 178.765 176.300 0.212 0.000 1.136 272 R CA 2.323 58.561 56.100 0.230 0.000 0.951 272 R CB -0.546 29.853 30.300 0.165 0.000 0.876 272 R HN 0.194 nan 8.270 nan 0.000 0.440 273 L N 0.572 121.878 121.223 0.138 0.000 1.989 273 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 273 L C 2.438 179.331 176.870 0.040 0.000 1.071 273 L CA 2.350 57.238 54.840 0.080 0.000 0.749 273 L CB -1.036 41.045 42.059 0.037 0.000 0.890 273 L HN 0.313 nan 8.230 nan 0.000 0.431 274 A N -0.120 122.682 122.820 -0.029 0.000 1.892 274 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 274 A C 1.998 179.675 177.584 0.156 0.000 1.188 274 A CA 2.436 54.294 52.037 -0.299 0.000 0.631 274 A CB -1.270 17.039 19.000 -1.151 0.000 0.822 274 A HN 0.771 nan 8.150 nan 0.000 0.447 275 N N -0.390 118.582 118.700 0.453 0.000 2.166 275 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 275 N C 1.580 177.176 175.510 0.145 0.000 1.019 275 N CA 1.130 54.484 53.050 0.507 0.000 0.856 275 N CB -0.283 38.612 38.487 0.681 0.000 0.993 275 N HN 0.346 nan 8.380 nan 0.000 0.426 276 L N 1.224 122.501 121.223 0.090 0.000 2.042 276 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 276 L C 2.005 178.841 176.870 -0.058 0.000 1.076 276 L CA 1.405 56.210 54.840 -0.058 0.000 0.749 276 L CB -0.449 41.618 42.059 0.012 0.000 0.893 276 L HN 0.226 nan 8.230 nan 0.000 0.432 277 L N -1.002 120.220 121.223 -0.002 0.000 1.988 277 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 277 L C 2.597 179.465 176.870 -0.004 0.000 1.071 277 L CA 2.004 56.831 54.840 -0.022 0.000 0.744 277 L CB -2.305 39.730 42.059 -0.041 0.000 0.893 277 L HN 0.415 nan 8.230 nan 0.000 0.433 278 G N -0.261 108.592 108.800 0.088 0.000 2.513 278 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 278 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 278 G C 1.764 176.652 174.900 -0.020 0.000 1.160 278 G CA 1.432 46.582 45.100 0.082 0.000 0.767 278 G HN 0.510 nan 8.290 nan 0.000 0.571 279 A N 0.450 123.224 122.820 -0.078 0.000 1.865 279 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 279 A C 2.674 180.177 177.584 -0.134 0.000 1.191 279 A CA 2.607 54.541 52.037 -0.170 0.000 0.623 279 A CB -1.087 17.674 19.000 -0.398 0.000 0.826 279 A HN 0.475 nan 8.150 nan 0.000 0.444 280 S N -0.896 114.732 115.700 -0.120 0.000 2.370 280 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 280 S C 1.846 176.396 174.600 -0.083 0.000 1.033 280 S CA 1.712 59.855 58.200 -0.094 0.000 1.011 280 S CB -0.453 62.701 63.200 -0.077 0.000 0.852 280 S HN 0.314 nan 8.310 nan 0.000 0.457 281 V N 1.655 121.523 119.914 -0.076 0.000 2.548 281 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 281 V C 2.714 178.754 176.094 -0.091 0.000 1.055 281 V CA 1.409 63.661 62.300 -0.081 0.000 1.065 281 V CB -1.124 30.663 31.823 -0.060 0.000 0.681 281 V HN 0.573 nan 8.190 nan 0.000 0.462 282 A N 0.204 122.975 122.820 -0.082 0.000 1.969 282 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 282 A C 2.186 179.710 177.584 -0.100 0.000 1.169 282 A CA 1.512 53.497 52.037 -0.086 0.000 0.635 282 A CB -0.464 18.492 19.000 -0.074 0.000 0.810 282 A HN 0.557 nan 8.150 nan 0.000 0.445 283 A N -1.166 121.597 122.820 -0.095 0.000 2.259 283 A HA 0.469 4.789 4.320 -0.000 0.000 0.208 283 A C 0.811 178.340 177.584 -0.091 0.000 1.201 283 A CA 0.538 52.521 52.037 -0.090 0.000 0.824 283 A CB -0.222 18.729 19.000 -0.081 0.000 0.838 283 A HN 0.271 nan 8.150 nan 0.000 0.485 284 S N -0.620 115.015 115.700 -0.108 0.000 2.569 284 S HA 0.479 4.948 4.470 -0.000 0.000 0.280 284 S C -0.300 174.202 174.600 -0.164 0.000 1.111 284 S CA -0.778 57.353 58.200 -0.116 0.000 0.887 284 S CB 1.290 64.427 63.200 -0.106 0.000 1.095 284 S HN 0.491 nan 8.310 nan 0.000 0.476 285 R N 1.123 121.524 120.500 -0.164 0.000 2.543 285 R HA 0.541 4.881 4.340 -0.000 0.000 0.277 285 R C 0.557 176.541 176.300 -0.527 0.000 1.074 285 R CA 0.417 56.383 56.100 -0.222 0.000 1.076 285 R CB 0.475 30.737 30.300 -0.063 0.000 0.993 285 R HN 0.986 nan 8.270 nan 0.000 0.459 286 G N 2.403 110.747 108.800 -0.760 0.000 2.617 286 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 286 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 286 G C -0.215 174.375 174.900 -0.516 0.000 1.214 286 G CA -0.562 43.807 45.100 -1.217 0.000 0.796 286 G HN 0.551 nan 8.290 nan 0.000 0.654 287 D N -0.117 120.075 120.400 -0.346 0.000 2.092 287 D HA -0.042 4.598 4.640 -0.000 0.000 0.193 287 D C 1.919 178.176 176.300 -0.072 0.000 0.994 287 D CA 2.271 56.221 54.000 -0.084 0.000 0.828 287 D CB -0.010 40.858 40.800 0.113 0.000 0.963 287 D HN 0.737 nan 8.370 nan 0.000 0.450 288 H N -1.741 117.266 119.070 -0.105 0.000 2.916 288 H HA 0.269 4.825 4.556 -0.000 0.000 0.262 288 H C -0.515 174.747 175.328 -0.111 0.000 1.178 288 H CA -0.299 55.687 56.048 -0.104 0.000 1.090 288 H CB 0.025 29.729 29.762 -0.096 0.000 1.657 288 H HN -0.040 nan 8.280 nan 0.000 0.601 289 E N 1.444 121.379 120.200 -0.442 0.000 2.360 289 E HA 0.300 4.649 4.350 -0.000 0.000 0.269 289 E C 0.948 177.452 176.600 -0.160 0.000 1.022 289 E CA 0.808 57.043 56.400 -0.275 0.000 0.887 289 E CB 1.318 30.840 29.700 -0.296 0.000 0.990 289 E HN 0.689 nan 8.360 nan 0.000 0.426 290 G N 1.712 110.461 108.800 -0.085 0.000 2.253 290 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 290 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 290 G C 0.446 175.302 174.900 -0.073 0.000 0.997 290 G CA -0.149 44.912 45.100 -0.065 0.000 0.640 290 G HN 0.779 nan 8.290 nan 0.000 0.496 291 A N 2.678 125.438 122.820 -0.100 0.000 2.522 291 A HA 0.583 4.903 4.320 -0.000 0.000 0.256 291 A C -0.904 176.525 177.584 -0.258 0.000 1.086 291 A CA 0.003 51.950 52.037 -0.151 0.000 0.763 291 A CB 0.067 18.978 19.000 -0.148 0.000 1.024 291 A HN 0.336 nan 8.150 nan 0.000 0.502 292 P HA 0.246 nan 4.420 nan 0.000 0.274 292 P C -1.072 176.060 177.300 -0.280 0.000 1.256 292 P CA 0.126 63.150 63.100 -0.126 0.000 0.795 292 P CB 0.441 32.128 31.700 -0.023 0.000 1.038 293 Y N -0.864 119.449 120.300 0.022 0.000 2.457 293 Y HA 0.378 4.928 4.550 -0.000 0.000 0.333 293 Y C 2.284 178.209 175.900 0.042 0.000 1.119 293 Y CA -0.640 57.479 58.100 0.031 0.000 1.143 293 Y CB 0.808 39.282 38.460 0.022 0.000 1.230 293 Y HN 0.337 nan 8.280 nan 0.000 0.469 294 R N 1.356 121.975 120.500 0.198 0.000 2.136 294 R HA -0.280 4.060 4.340 -0.000 0.000 0.242 294 R C 1.726 178.084 176.300 0.096 0.000 1.131 294 R CA 2.604 58.790 56.100 0.144 0.000 0.937 294 R CB -0.244 30.136 30.300 0.134 0.000 0.863 294 R HN 1.010 nan 8.270 nan 0.000 0.435 295 E N -0.378 119.879 120.200 0.094 0.000 2.393 295 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 295 E C 0.824 177.455 176.600 0.052 0.000 1.025 295 E CA 1.435 57.866 56.400 0.051 0.000 0.856 295 E CB -0.123 29.598 29.700 0.034 0.000 0.771 295 E HN 0.433 nan 8.360 nan 0.000 0.526 296 D N 1.244 121.695 120.400 0.086 0.000 2.137 296 D HA -0.028 4.612 4.640 -0.000 0.000 0.202 296 D C 2.195 178.525 176.300 0.049 0.000 0.970 296 D CA 0.713 54.757 54.000 0.073 0.000 0.837 296 D CB -0.168 40.697 40.800 0.107 0.000 0.981 296 D HN 0.244 nan 8.370 nan 0.000 0.475 297 L N 1.211 122.465 121.223 0.052 0.000 2.012 297 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 297 L C 2.332 179.209 176.870 0.012 0.000 1.073 297 L CA 1.290 56.152 54.840 0.037 0.000 0.748 297 L CB -0.588 41.498 42.059 0.044 0.000 0.891 297 L HN 0.028 nan 8.230 nan 0.000 0.431 298 E N 0.143 120.343 120.200 -0.001 0.000 2.070 298 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 298 E C 2.162 178.758 176.600 -0.007 0.000 1.004 298 E CA 1.931 58.321 56.400 -0.018 0.000 0.805 298 E CB -0.411 29.277 29.700 -0.020 0.000 0.744 298 E HN 0.466 nan 8.360 nan 0.000 0.451 299 V N 0.957 120.874 119.914 0.005 0.000 2.358 299 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 299 V C 2.287 178.387 176.094 0.009 0.000 1.047 299 V CA 1.199 63.502 62.300 0.006 0.000 1.035 299 V CB -0.656 31.173 31.823 0.010 0.000 0.658 299 V HN 0.148 nan 8.190 nan 0.000 0.452 300 L N -0.748 120.484 121.223 0.015 0.000 2.549 300 L HA 0.067 4.407 4.340 -0.000 0.000 0.229 300 L C 1.775 178.656 176.870 0.018 0.000 1.158 300 L CA 1.425 56.277 54.840 0.020 0.000 0.842 300 L CB -0.559 41.516 42.059 0.027 0.000 0.952 300 L HN 0.274 nan 8.230 nan 0.000 0.452 301 L N -0.183 121.044 121.223 0.008 0.000 2.276 301 L HA 0.426 4.766 4.340 -0.000 0.000 0.194 301 L C 1.135 178.005 176.870 -0.001 0.000 1.099 301 L CA 1.598 56.439 54.840 0.001 0.000 0.800 301 L CB -0.367 41.683 42.059 -0.015 0.000 0.994 301 L HN 0.167 nan 8.230 nan 0.000 0.475 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543