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 2axt_1_B DATA FIRST_RESID 2 DATA SEQUENCE GLPWYRVHTV LINDPGRLIA AHLMHTALVA GWAGSMALYE LATFDPSDPV DATA SEQUENCE LNPMWRQGMF VLPFMARLGV TGSWSGWSIT GETGIDPGFW SFEGVALAHI DATA SEQUENCE VLSGLLFLAA CWHWVYWDLE LFRDPRTGEP ALDLPKMFGI HLFLAGLLCF DATA SEQUENCE GFGAFHLTGL FGPGMWVSDP YGLTGSVQPV APEWGPDGFN PYNPGGVVAH DATA SEQUENCE HIAAGIVGII AGLFHILVRP PQRLYKALRM GNIETVLSSS IAAVFFAAFV DATA SEQUENCE VAGTMWYGSA TTPIELFGPT RYQWDSSYFQ QEINRRVQAS LASGATLEEA DATA SEQUENCE WSAIPEKLAF YDYIGNNPAK GGLFRTGPMN KGDGIAQAWK GHAVFRNKEG DATA SEQUENCE EELFVRRMPA FFESFPVILT DKNGVVKADI PFRRAESKYS FEQQGVTVSF DATA SEQUENCE YGGELNGQTF TDPPTVKSYA RKAIFGEIFE FDTETLNSDG IFRTSPRGWF DATA SEQUENCE TFAHAVFALL FFFGHIWHGA RTLFRDVFSG IDPELSPE 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 2 G C 0.000 174.884 174.900 -0.027 0.000 0.946 2 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 3 L N 2.599 123.798 121.223 -0.039 0.000 2.329 3 L HA 0.837 5.182 4.340 0.009 0.000 0.279 3 L C -2.029 174.760 176.870 -0.134 0.000 1.014 3 L CA -2.157 52.636 54.840 -0.078 0.000 0.814 3 L CB 1.336 43.362 42.059 -0.055 0.000 1.257 3 L HN 0.387 nan 8.230 nan 0.000 0.424 4 P HA 0.086 nan 4.420 nan 0.000 0.272 4 P C 0.382 177.407 177.300 -0.458 0.000 1.230 4 P CA -0.293 62.513 63.100 -0.490 0.000 0.788 4 P CB 0.222 31.238 31.700 -1.141 0.000 0.949 5 W N 1.472 122.608 121.300 -0.272 0.000 2.363 5 W HA -0.176 4.489 4.660 0.009 0.000 0.296 5 W C 1.041 177.480 176.519 -0.132 0.000 1.212 5 W CA 0.846 58.110 57.345 -0.135 0.000 1.260 5 W CB -1.814 27.632 29.460 -0.025 0.000 1.131 5 W HN 0.426 nan 8.180 nan 0.000 0.530 6 Y N 0.858 120.505 120.300 -1.088 0.000 2.542 6 Y HA 0.356 4.911 4.550 0.009 0.000 0.326 6 Y C 1.920 177.597 175.900 -0.371 0.000 1.218 6 Y CA 0.153 57.688 58.100 -0.942 0.000 1.277 6 Y CB -0.908 36.691 38.460 -1.436 0.000 1.064 6 Y HN -0.082 nan 8.280 nan 0.000 0.499 7 R N -0.424 119.829 120.500 -0.411 0.000 2.556 7 R HA 0.088 4.433 4.340 0.009 0.000 0.276 7 R C 2.014 178.271 176.300 -0.071 0.000 0.931 7 R CA 0.773 56.767 56.100 -0.178 0.000 1.061 7 R CB 0.237 30.403 30.300 -0.223 0.000 1.432 7 R HN 0.343 nan 8.270 nan 0.000 0.547 8 V N -0.621 119.239 119.914 -0.089 0.000 2.311 8 V HA -0.365 3.761 4.120 0.009 0.000 0.259 8 V C 1.357 177.532 176.094 0.135 0.000 1.086 8 V CA 2.027 64.330 62.300 0.006 0.000 1.078 8 V CB -1.001 30.823 31.823 0.002 0.000 0.668 8 V HN 0.430 nan 8.190 nan 0.000 0.452 9 H N 0.223 119.321 119.070 0.046 0.000 2.556 9 H HA 0.078 4.640 4.556 0.009 0.000 0.273 9 H C 1.876 177.226 175.328 0.037 0.000 1.030 9 H CA 0.386 56.468 56.048 0.058 0.000 1.156 9 H CB 0.000 29.808 29.762 0.076 0.000 1.326 9 H HN 0.570 nan 8.280 nan 0.000 0.609 10 T N -0.462 114.169 114.554 0.127 0.000 2.985 10 T HA -0.099 4.257 4.350 0.009 0.000 0.266 10 T C 1.930 176.640 174.700 0.016 0.000 1.076 10 T CA 0.302 62.437 62.100 0.059 0.000 1.135 10 T CB -0.052 68.836 68.868 0.034 0.000 0.890 10 T HN 0.204 nan 8.240 nan 0.000 0.480 11 V N 1.495 121.422 119.914 0.023 0.000 3.467 11 V HA 0.061 4.186 4.120 0.009 0.000 0.275 11 V C 1.079 177.130 176.094 -0.073 0.000 1.230 11 V CA 1.204 63.488 62.300 -0.028 0.000 1.196 11 V CB -0.922 30.898 31.823 -0.006 0.000 0.884 11 V HN 0.521 nan 8.190 nan 0.000 0.548 12 L N -1.377 119.814 121.223 -0.053 0.000 2.966 12 L HA 0.303 4.649 4.340 0.009 0.000 0.262 12 L C 1.704 178.509 176.870 -0.108 0.000 1.165 12 L CA -0.055 54.726 54.840 -0.098 0.000 0.978 12 L CB 0.202 42.216 42.059 -0.074 0.000 1.337 12 L HN 0.172 nan 8.230 nan 0.000 0.563 13 I N 1.935 122.458 120.570 -0.079 0.000 2.953 13 I HA -0.186 3.989 4.170 0.009 0.000 0.271 13 I C 0.600 176.660 176.117 -0.095 0.000 1.286 13 I CA 1.059 62.310 61.300 -0.081 0.000 1.449 13 I CB -0.404 37.557 38.000 -0.066 0.000 1.086 13 I HN 0.558 nan 8.210 nan 0.000 0.483 14 N N -0.511 118.122 118.700 -0.111 0.000 2.577 14 N HA 0.042 4.787 4.740 0.009 0.000 0.285 14 N C -0.610 174.820 175.510 -0.133 0.000 1.658 14 N CA -0.166 52.821 53.050 -0.106 0.000 0.865 14 N CB -0.049 38.395 38.487 -0.072 0.000 1.419 14 N HN 0.012 nan 8.380 nan 0.000 0.495 15 D N 0.913 121.201 120.400 -0.187 0.000 2.772 15 D HA 0.320 4.966 4.640 0.009 0.000 0.326 15 D C -1.830 174.288 176.300 -0.303 0.000 1.207 15 D CA -1.567 52.300 54.000 -0.222 0.000 0.777 15 D CB 1.263 41.885 40.800 -0.297 0.000 1.169 15 D HN -0.048 nan 8.370 nan 0.000 0.506 16 P HA -0.170 nan 4.420 nan 0.000 0.219 16 P C 1.267 178.131 177.300 -0.727 0.000 1.147 16 P CA 1.347 64.032 63.100 -0.691 0.000 0.821 16 P CB 0.388 31.453 31.700 -1.057 0.000 0.771 17 G N -0.646 107.843 108.800 -0.518 0.000 2.417 17 G HA2 -0.159 3.806 3.960 0.009 0.000 0.212 17 G HA3 -0.159 3.806 3.960 0.009 0.000 0.212 17 G C 1.475 176.379 174.900 0.007 0.000 1.187 17 G CA 0.169 45.258 45.100 -0.019 0.000 0.804 17 G HN 0.127 nan 8.290 nan 0.000 0.534 18 R N -0.070 120.363 120.500 -0.112 0.000 2.316 18 R HA 0.172 4.518 4.340 0.009 0.000 0.202 18 R C 2.024 178.322 176.300 -0.003 0.000 1.029 18 R CA 0.131 56.160 56.100 -0.118 0.000 1.018 18 R CB -0.618 29.370 30.300 -0.520 0.000 0.888 18 R HN 0.406 nan 8.270 nan 0.000 0.471 19 L N -0.140 121.000 121.223 -0.138 0.000 2.200 19 L HA 0.174 4.519 4.340 0.009 0.000 0.200 19 L C 1.984 178.694 176.870 -0.267 0.000 1.072 19 L CA 1.068 55.763 54.840 -0.243 0.000 0.787 19 L CB -0.109 41.739 42.059 -0.352 0.000 0.957 19 L HN -0.054 nan 8.230 nan 0.000 0.459 20 I N -0.315 120.142 120.570 -0.189 0.000 2.394 20 I HA -0.257 3.919 4.170 0.009 0.000 0.251 20 I C 2.469 178.620 176.117 0.057 0.000 1.136 20 I CA 1.045 62.287 61.300 -0.097 0.000 1.425 20 I CB -0.356 37.557 38.000 -0.144 0.000 1.079 20 I HN 0.346 nan 8.210 nan 0.000 0.425 21 A N 0.629 123.535 122.820 0.143 0.000 1.898 21 A HA -0.139 4.187 4.320 0.009 0.000 0.216 21 A C 2.518 180.237 177.584 0.224 0.000 1.181 21 A CA 1.734 53.944 52.037 0.290 0.000 0.620 21 A CB -0.760 18.557 19.000 0.528 0.000 0.819 21 A HN 0.412 nan 8.150 nan 0.000 0.442 22 A N -0.575 122.361 122.820 0.194 0.000 1.835 22 A HA -0.198 4.128 4.320 0.009 0.000 0.215 22 A C 1.929 179.651 177.584 0.229 0.000 1.199 22 A CA 1.576 53.705 52.037 0.154 0.000 0.615 22 A CB -1.290 17.773 19.000 0.106 0.000 0.838 22 A HN 0.724 nan 8.150 nan 0.000 0.444 23 H N -0.830 118.271 119.070 0.052 0.000 2.460 23 H HA -0.107 4.455 4.556 0.009 0.000 0.297 23 H C 1.985 177.380 175.328 0.110 0.000 1.103 23 H CA 1.097 57.180 56.048 0.059 0.000 1.292 23 H CB -0.153 29.624 29.762 0.024 0.000 1.376 23 H HN 0.345 nan 8.280 nan 0.000 0.531 24 L N -0.138 121.229 121.223 0.239 0.000 2.141 24 L HA -0.178 4.167 4.340 0.009 0.000 0.209 24 L C 2.499 179.479 176.870 0.182 0.000 1.094 24 L CA 0.533 55.492 54.840 0.199 0.000 0.763 24 L CB -0.048 42.136 42.059 0.208 0.000 0.908 24 L HN 0.290 nan 8.230 nan 0.000 0.437 25 M N -1.327 118.375 119.600 0.169 0.000 2.200 25 M HA -0.198 4.288 4.480 0.009 0.000 0.265 25 M C 2.235 178.631 176.300 0.160 0.000 1.066 25 M CA 1.657 57.048 55.300 0.152 0.000 1.127 25 M CB -0.660 31.997 32.600 0.095 0.000 1.379 25 M HN 0.194 nan 8.290 nan 0.000 0.420 26 H N -0.932 118.184 119.070 0.077 0.000 2.299 26 H HA -0.103 4.459 4.556 0.010 0.000 0.302 26 H C 1.394 176.754 175.328 0.054 0.000 1.078 26 H CA 2.178 58.253 56.048 0.044 0.000 1.323 26 H CB -0.127 29.631 29.762 -0.007 0.000 1.381 26 H HN 0.326 nan 8.280 nan 0.000 0.498 27 T N 1.278 115.946 114.554 0.190 0.000 2.580 27 T HA -0.205 4.151 4.350 0.009 0.000 0.265 27 T C 2.231 176.986 174.700 0.091 0.000 1.063 27 T CA 1.911 64.088 62.100 0.129 0.000 1.170 27 T CB -0.943 68.007 68.868 0.137 0.000 0.863 27 T HN 0.529 nan 8.240 nan 0.000 0.418 28 A N 1.244 124.141 122.820 0.127 0.000 1.954 28 A HA -0.168 4.158 4.320 0.009 0.000 0.222 28 A C 2.365 180.018 177.584 0.116 0.000 1.199 28 A CA 1.748 53.873 52.037 0.146 0.000 0.657 28 A CB -1.099 18.029 19.000 0.213 0.000 0.823 28 A HN 0.522 nan 8.150 nan 0.000 0.463 29 L N -0.862 120.400 121.223 0.064 0.000 2.056 29 L HA -0.131 4.215 4.340 0.009 0.000 0.207 29 L C 2.433 179.334 176.870 0.052 0.000 1.078 29 L CA 1.116 55.977 54.840 0.035 0.000 0.749 29 L CB -0.510 41.526 42.059 -0.038 0.000 0.901 29 L HN 0.275 nan 8.230 nan 0.000 0.433 30 V N -0.068 119.830 119.914 -0.028 0.000 2.913 30 V HA -0.204 3.921 4.120 0.009 0.000 0.260 30 V C 2.492 178.725 176.094 0.233 0.000 1.098 30 V CA 1.481 63.805 62.300 0.040 0.000 1.121 30 V CB -0.623 31.160 31.823 -0.066 0.000 0.714 30 V HN 0.443 nan 8.190 nan 0.000 0.487 31 A N 0.420 123.365 122.820 0.208 0.000 1.861 31 A HA 0.159 4.485 4.320 0.009 0.000 0.212 31 A C 2.402 180.145 177.584 0.266 0.000 1.199 31 A CA 1.290 53.502 52.037 0.293 0.000 0.613 31 A CB -1.188 17.936 19.000 0.207 0.000 0.846 31 A HN 0.444 nan 8.150 nan 0.000 0.446 32 G N -0.741 108.174 108.800 0.192 0.000 2.672 32 G HA2 -0.388 3.578 3.960 0.009 0.000 0.218 32 G HA3 -0.388 3.578 3.960 0.009 0.000 0.218 32 G C 1.421 176.409 174.900 0.145 0.000 1.238 32 G CA 1.411 46.596 45.100 0.141 0.000 0.791 32 G HN 0.721 nan 8.290 nan 0.000 0.606 33 W N 2.039 123.348 121.300 0.014 0.000 2.305 33 W HA -0.119 4.547 4.660 0.010 0.000 0.308 33 W C 2.810 179.334 176.519 0.007 0.000 1.226 33 W CA 2.891 60.238 57.345 0.003 0.000 1.253 33 W CB -0.322 29.131 29.460 -0.012 0.000 1.146 33 W HN 0.348 nan 8.180 nan 0.000 0.507 34 A N 0.775 123.748 122.820 0.255 0.000 1.859 34 A HA -0.150 4.176 4.320 0.009 0.000 0.217 34 A C 2.247 179.615 177.584 -0.360 0.000 1.198 34 A CA 2.496 54.512 52.037 -0.036 0.000 0.629 34 A CB -1.790 17.308 19.000 0.163 0.000 0.830 34 A HN 0.491 nan 8.150 nan 0.000 0.446 35 G N -1.622 107.062 108.800 -0.194 0.000 2.421 35 G HA2 -0.022 3.944 3.960 0.009 0.000 0.217 35 G HA3 -0.022 3.944 3.960 0.009 0.000 0.217 35 G C 1.793 176.587 174.900 -0.177 0.000 1.143 35 G CA 1.186 46.186 45.100 -0.167 0.000 0.784 35 G HN 0.467 nan 8.290 nan 0.000 0.541 36 S N 0.156 115.739 115.700 -0.195 0.000 2.359 36 S HA -0.212 4.264 4.470 0.009 0.000 0.223 36 S C 2.307 176.733 174.600 -0.290 0.000 1.039 36 S CA 1.899 59.977 58.200 -0.204 0.000 1.042 36 S CB -0.281 62.794 63.200 -0.209 0.000 0.915 36 S HN 0.345 nan 8.310 nan 0.000 0.439 37 M N 1.824 121.073 119.600 -0.586 0.000 2.073 37 M HA -0.106 4.379 4.480 0.009 0.000 0.258 37 M C 2.017 178.180 176.300 -0.229 0.000 1.070 37 M CA 1.827 56.809 55.300 -0.530 0.000 1.103 37 M CB -0.995 31.005 32.600 -1.000 0.000 1.321 37 M HN 0.279 nan 8.290 nan 0.000 0.405 38 A N 0.185 122.846 122.820 -0.265 0.000 1.881 38 A HA -0.259 4.067 4.320 0.009 0.000 0.219 38 A C 2.192 179.722 177.584 -0.089 0.000 1.215 38 A CA 2.494 54.436 52.037 -0.159 0.000 0.648 38 A CB -1.514 17.393 19.000 -0.156 0.000 0.832 38 A HN 0.619 nan 8.150 nan 0.000 0.455 39 L N -2.351 118.832 121.223 -0.067 0.000 2.043 39 L HA -0.253 4.093 4.340 0.009 0.000 0.212 39 L C 2.649 179.534 176.870 0.024 0.000 1.075 39 L CA 2.147 56.976 54.840 -0.018 0.000 0.752 39 L CB -0.833 41.223 42.059 -0.005 0.000 0.891 39 L HN 0.631 nan 8.230 nan 0.000 0.432 40 Y N 1.170 121.415 120.300 -0.092 0.000 2.165 40 Y HA -0.282 4.274 4.550 0.009 0.000 0.286 40 Y C 2.496 178.370 175.900 -0.044 0.000 1.155 40 Y CA 1.839 59.899 58.100 -0.066 0.000 1.164 40 Y CB -0.209 38.200 38.460 -0.085 0.000 0.978 40 Y HN 0.215 nan 8.280 nan 0.000 0.513 41 E N -0.118 120.044 120.200 -0.062 0.000 2.107 41 E HA -0.159 4.196 4.350 0.009 0.000 0.191 41 E C 2.208 178.745 176.600 -0.106 0.000 0.982 41 E CA 1.215 57.530 56.400 -0.142 0.000 0.809 41 E CB -0.246 29.407 29.700 -0.079 0.000 0.756 41 E HN 0.495 nan 8.360 nan 0.000 0.459 42 L N 0.470 121.652 121.223 -0.069 0.000 2.201 42 L HA -0.086 4.260 4.340 0.009 0.000 0.212 42 L C 2.313 179.197 176.870 0.023 0.000 1.105 42 L CA 0.628 55.478 54.840 0.016 0.000 0.775 42 L CB -0.226 41.850 42.059 0.027 0.000 0.913 42 L HN 0.103 nan 8.230 nan 0.000 0.440 43 A N -0.813 121.975 122.820 -0.053 0.000 2.238 43 A HA -0.035 4.290 4.320 0.009 0.000 0.208 43 A C 1.817 179.321 177.584 -0.132 0.000 1.177 43 A CA 1.414 53.410 52.037 -0.067 0.000 0.804 43 A CB -0.465 18.497 19.000 -0.064 0.000 0.823 43 A HN 0.484 nan 8.150 nan 0.000 0.482 44 T N -5.317 109.132 114.554 -0.175 0.000 3.131 44 T HA 0.277 4.633 4.350 0.009 0.000 0.283 44 T C 0.010 174.625 174.700 -0.142 0.000 0.906 44 T CA -0.373 61.606 62.100 -0.202 0.000 0.882 44 T CB -0.572 68.088 68.868 -0.348 0.000 1.208 44 T HN 0.159 nan 8.240 nan 0.000 0.561 45 F N 3.606 123.415 119.950 -0.235 0.000 2.443 45 F HA 0.546 5.078 4.527 0.009 0.000 0.353 45 F C -0.186 175.425 175.800 -0.315 0.000 1.101 45 F CA -1.213 56.632 58.000 -0.257 0.000 1.226 45 F CB 0.748 39.587 39.000 -0.267 0.000 1.140 45 F HN 0.000 nan 8.300 nan 0.000 0.557 46 D N 8.179 127.800 120.400 -1.300 0.000 2.329 46 D HA 0.276 4.922 4.640 0.009 0.000 0.232 46 D C -2.114 173.164 176.300 -1.704 0.000 1.088 46 D CA -2.279 51.038 54.000 -1.139 0.000 0.835 46 D CB 1.973 42.389 40.800 -0.639 0.000 1.078 46 D HN 0.339 nan 8.370 nan 0.000 0.495 47 P HA -0.013 nan 4.420 nan 0.000 0.257 47 P C 1.098 178.108 177.300 -0.483 0.000 1.241 47 P CA 0.119 62.616 63.100 -1.004 0.000 0.816 47 P CB 0.220 31.065 31.700 -1.426 0.000 1.150 48 S N -0.242 115.189 115.700 -0.447 0.000 2.462 48 S HA -0.164 4.311 4.470 0.009 0.000 0.243 48 S C 0.586 175.087 174.600 -0.166 0.000 1.003 48 S CA 1.242 59.293 58.200 -0.249 0.000 0.970 48 S CB -0.963 62.097 63.200 -0.232 0.000 0.762 48 S HN 0.203 nan 8.310 nan 0.000 0.510 49 D N 0.382 120.672 120.400 -0.183 0.000 2.318 49 D HA 0.286 4.932 4.640 0.009 0.000 0.233 49 D C -2.669 173.579 176.300 -0.088 0.000 1.348 49 D CA -1.459 52.472 54.000 -0.115 0.000 0.983 49 D CB 1.708 42.428 40.800 -0.132 0.000 1.416 49 D HN -0.024 nan 8.370 nan 0.000 0.558 50 P HA 0.051 nan 4.420 nan 0.000 0.253 50 P C 0.613 177.947 177.300 0.056 0.000 1.260 50 P CA 0.003 63.140 63.100 0.062 0.000 0.800 50 P CB 0.745 32.534 31.700 0.150 0.000 1.162 51 V N -0.265 119.643 119.914 -0.010 0.000 2.490 51 V HA 0.041 4.167 4.120 0.009 0.000 0.238 51 V C 2.326 178.342 176.094 -0.130 0.000 1.056 51 V CA 1.039 63.323 62.300 -0.025 0.000 1.075 51 V CB -0.610 31.193 31.823 -0.033 0.000 0.746 51 V HN -0.009 nan 8.190 nan 0.000 0.479 52 L N -0.134 120.941 121.223 -0.247 0.000 2.693 52 L HA 0.338 4.684 4.340 0.009 0.000 0.235 52 L C 0.615 177.270 176.870 -0.358 0.000 1.127 52 L CA 0.397 54.920 54.840 -0.530 0.000 0.914 52 L CB 0.207 41.922 42.059 -0.574 0.000 1.193 52 L HN 0.350 nan 8.230 nan 0.000 0.502 53 N N 0.615 119.174 118.700 -0.235 0.000 2.672 53 N HA 0.180 4.926 4.740 0.009 0.000 0.295 53 N C -2.624 172.748 175.510 -0.231 0.000 1.924 53 N CA -1.473 51.442 53.050 -0.224 0.000 0.851 53 N CB 1.104 39.468 38.487 -0.206 0.000 1.281 53 N HN -0.079 nan 8.380 nan 0.000 0.494 54 P HA 0.043 nan 4.420 nan 0.000 0.274 54 P C 1.327 178.496 177.300 -0.218 0.000 1.246 54 P CA -0.342 62.629 63.100 -0.215 0.000 0.795 54 P CB 0.808 32.359 31.700 -0.247 0.000 1.006 55 M N 0.440 120.082 119.600 0.069 0.000 2.116 55 M HA -0.168 4.318 4.480 0.009 0.000 0.255 55 M C 1.788 178.128 176.300 0.067 0.000 1.075 55 M CA 2.200 57.583 55.300 0.139 0.000 1.087 55 M CB -1.537 31.037 32.600 -0.044 0.000 1.340 55 M HN 0.385 nan 8.290 nan 0.000 0.402 56 W N 0.534 121.867 121.300 0.055 0.000 2.611 56 W HA 0.052 4.718 4.660 0.009 0.000 0.251 56 W C 1.360 177.949 176.519 0.117 0.000 1.265 56 W CA 0.270 57.662 57.345 0.078 0.000 1.295 56 W CB -1.113 28.389 29.460 0.069 0.000 1.129 56 W HN 0.268 nan 8.180 nan 0.000 0.630 57 R N 1.078 121.436 120.500 -0.236 0.000 2.161 57 R HA -0.001 4.345 4.340 0.009 0.000 0.213 57 R C 1.478 177.773 176.300 -0.010 0.000 1.055 57 R CA 0.747 56.753 56.100 -0.156 0.000 0.996 57 R CB -0.386 29.730 30.300 -0.308 0.000 0.901 57 R HN 0.456 nan 8.270 nan 0.000 0.456 58 Q N 0.044 119.846 119.800 0.003 0.000 2.225 58 Q HA 0.185 4.531 4.340 0.009 0.000 0.222 58 Q C 0.249 176.304 176.000 0.092 0.000 0.887 58 Q CA 0.165 55.988 55.803 0.033 0.000 0.958 58 Q CB 0.590 29.343 28.738 0.025 0.000 1.058 58 Q HN 0.308 nan 8.270 nan 0.000 0.459 59 G N 1.841 110.728 108.800 0.144 0.000 2.390 59 G HA2 -0.260 3.705 3.960 0.009 0.000 0.299 59 G HA3 -0.260 3.705 3.960 0.009 0.000 0.299 59 G C 0.025 175.041 174.900 0.194 0.000 1.002 59 G CA 0.097 45.306 45.100 0.182 0.000 0.979 59 G HN 0.218 nan 8.290 nan 0.000 0.513 60 M N -0.677 119.042 119.600 0.199 0.000 2.120 60 M HA 0.446 4.932 4.480 0.009 0.000 0.354 60 M C 0.927 177.401 176.300 0.291 0.000 1.287 60 M CA -0.782 54.618 55.300 0.168 0.000 1.103 60 M CB 0.834 33.455 32.600 0.035 0.000 1.623 60 M HN 0.188 nan 8.290 nan 0.000 0.471 61 F N 3.345 123.392 119.950 0.160 0.000 2.514 61 F HA 0.136 4.669 4.527 0.009 0.000 0.281 61 F C 1.440 177.473 175.800 0.388 0.000 1.060 61 F CA 0.874 59.056 58.000 0.303 0.000 1.397 61 F CB 0.351 39.545 39.000 0.323 0.000 1.129 61 F HN 0.332 nan 8.300 nan 0.000 0.620 62 V N 0.110 120.113 119.914 0.148 0.000 2.992 62 V HA -0.080 4.045 4.120 0.009 0.000 0.250 62 V C 2.139 178.246 176.094 0.022 0.000 1.090 62 V CA 0.856 63.184 62.300 0.047 0.000 1.101 62 V CB -0.012 31.792 31.823 -0.031 0.000 0.743 62 V HN 0.281 nan 8.190 nan 0.000 0.468 63 L N 1.847 123.010 121.223 -0.099 0.000 2.013 63 L HA -0.089 4.257 4.340 0.009 0.000 0.212 63 L C 0.119 176.854 176.870 -0.225 0.000 1.073 63 L CA 2.622 57.306 54.840 -0.259 0.000 0.753 63 L CB -1.478 40.289 42.059 -0.486 0.000 0.890 63 L HN 0.272 nan 8.230 nan 0.000 0.432 64 P HA -0.225 nan 4.420 nan 0.000 0.218 64 P C 1.666 178.606 177.300 -0.600 0.000 1.148 64 P CA 1.728 64.433 63.100 -0.657 0.000 0.822 64 P CB -0.250 30.748 31.700 -1.170 0.000 0.784 65 F N -0.758 119.066 119.950 -0.211 0.000 2.325 65 F HA 0.044 4.577 4.527 0.009 0.000 0.299 65 F C 2.696 178.484 175.800 -0.021 0.000 1.090 65 F CA 1.142 59.100 58.000 -0.070 0.000 1.392 65 F CB -0.860 38.105 39.000 -0.059 0.000 1.053 65 F HN -0.216 nan 8.300 nan 0.000 0.521 66 M N -1.064 118.616 119.600 0.133 0.000 2.506 66 M HA 0.014 4.499 4.480 0.009 0.000 0.260 66 M C 2.277 178.656 176.300 0.132 0.000 1.104 66 M CA 0.891 56.285 55.300 0.157 0.000 1.112 66 M CB -0.271 32.492 32.600 0.271 0.000 1.401 66 M HN 0.153 nan 8.290 nan 0.000 0.473 67 A N 0.473 123.342 122.820 0.082 0.000 1.898 67 A HA -0.102 4.223 4.320 0.009 0.000 0.214 67 A C 2.122 179.782 177.584 0.126 0.000 1.183 67 A CA 1.189 53.270 52.037 0.073 0.000 0.622 67 A CB -0.548 18.364 19.000 -0.146 0.000 0.824 67 A HN 0.409 nan 8.150 nan 0.000 0.444 68 R N -0.271 120.248 120.500 0.031 0.000 2.117 68 R HA -0.074 4.272 4.340 0.009 0.000 0.243 68 R C 1.260 177.694 176.300 0.223 0.000 1.143 68 R CA 1.575 57.763 56.100 0.147 0.000 0.968 68 R CB -0.297 30.043 30.300 0.067 0.000 0.863 68 R HN 0.520 nan 8.270 nan 0.000 0.444 69 L N -1.495 119.840 121.223 0.187 0.000 2.592 69 L HA 0.258 4.604 4.340 0.009 0.000 0.227 69 L C 1.254 178.279 176.870 0.258 0.000 1.127 69 L CA 0.510 55.496 54.840 0.244 0.000 0.884 69 L CB 0.840 42.995 42.059 0.161 0.000 1.065 69 L HN 0.614 nan 8.230 nan 0.000 0.457 70 G N -0.555 108.347 108.800 0.169 0.000 2.545 70 G HA2 -0.207 3.759 3.960 0.009 0.000 0.195 70 G HA3 -0.207 3.759 3.960 0.009 0.000 0.195 70 G C 0.207 175.113 174.900 0.010 0.000 1.009 70 G CA -0.333 44.822 45.100 0.091 0.000 0.703 70 G HN -0.030 nan 8.290 nan 0.000 0.479 71 V N 3.370 123.257 119.914 -0.046 0.000 2.403 71 V HA 0.461 4.587 4.120 0.009 0.000 0.265 71 V C 1.325 177.172 176.094 -0.413 0.000 1.034 71 V CA 1.427 63.565 62.300 -0.270 0.000 1.036 71 V CB 0.501 32.129 31.823 -0.325 0.000 1.032 71 V HN 0.756 nan 8.190 nan 0.000 0.478 72 T N 0.487 114.827 114.554 -0.357 0.000 3.170 72 T HA 0.482 4.837 4.350 0.009 0.000 0.288 72 T C 0.467 175.068 174.700 -0.165 0.000 0.992 72 T CA 0.288 62.308 62.100 -0.134 0.000 0.909 72 T CB 0.532 69.490 68.868 0.150 0.000 1.133 72 T HN 0.793 nan 8.240 nan 0.000 0.530 73 G N 0.302 108.793 108.800 -0.516 0.000 2.725 73 G HA2 0.622 4.587 3.960 0.009 0.000 0.288 73 G HA3 0.622 4.587 3.960 0.009 0.000 0.288 73 G C -1.609 172.915 174.900 -0.627 0.000 1.399 73 G CA -0.669 44.175 45.100 -0.426 0.000 0.859 73 G HN 0.313 nan 8.290 nan 0.000 0.479 74 S N -1.397 113.859 115.700 -0.739 0.000 2.599 74 S HA 0.475 4.951 4.470 0.009 0.000 0.294 74 S C 0.008 174.447 174.600 -0.267 0.000 1.094 74 S CA -0.642 57.182 58.200 -0.628 0.000 0.931 74 S CB 0.942 63.534 63.200 -1.013 0.000 1.093 74 S HN 0.515 nan 8.310 nan 0.000 0.488 75 W N 2.001 123.154 121.300 -0.244 0.000 2.538 75 W HA 0.081 4.747 4.660 0.009 0.000 0.254 75 W C 1.885 178.336 176.519 -0.114 0.000 1.249 75 W CA 0.231 57.477 57.345 -0.165 0.000 1.253 75 W CB -1.403 27.975 29.460 -0.137 0.000 1.130 75 W HN 0.599 nan 8.180 nan 0.000 0.618 76 S N -0.526 115.222 115.700 0.080 0.000 2.607 76 S HA 0.221 4.696 4.470 0.009 0.000 0.224 76 S C 1.823 176.489 174.600 0.110 0.000 0.969 76 S CA 0.847 59.130 58.200 0.139 0.000 0.927 76 S CB -0.283 63.116 63.200 0.332 0.000 0.772 76 S HN 0.442 nan 8.310 nan 0.000 0.533 77 G N 1.478 110.267 108.800 -0.017 0.000 2.179 77 G HA2 -0.225 3.740 3.960 0.009 0.000 0.260 77 G HA3 -0.225 3.740 3.960 0.009 0.000 0.260 77 G C 0.033 174.981 174.900 0.079 0.000 0.977 77 G CA 0.242 45.360 45.100 0.031 0.000 0.641 77 G HN 0.603 nan 8.290 nan 0.000 0.533 78 W N 0.301 121.678 121.300 0.128 0.000 2.436 78 W HA 0.836 5.501 4.660 0.009 0.000 0.347 78 W C -0.029 176.592 176.519 0.170 0.000 1.136 78 W CA -0.719 56.708 57.345 0.136 0.000 1.286 78 W CB 1.166 30.709 29.460 0.139 0.000 1.253 78 W HN 0.381 nan 8.180 nan 0.000 0.617 79 S N 1.060 117.056 115.700 0.493 0.000 2.532 79 S HA 0.329 4.805 4.470 0.009 0.000 0.301 79 S C 0.242 175.210 174.600 0.613 0.000 1.083 79 S CA -0.680 57.748 58.200 0.380 0.000 1.025 79 S CB 1.644 64.985 63.200 0.234 0.000 1.056 79 S HN 0.446 nan 8.310 nan 0.000 0.494 80 I N 3.718 124.628 120.570 0.567 0.000 2.916 80 I HA -0.038 4.137 4.170 0.009 0.000 0.267 80 I C 1.948 178.329 176.117 0.441 0.000 1.263 80 I CA 1.654 63.287 61.300 0.554 0.000 1.471 80 I CB -0.154 38.129 38.000 0.471 0.000 1.089 80 I HN 0.872 nan 8.210 nan 0.000 0.468 81 T N -2.772 112.021 114.554 0.399 0.000 3.022 81 T HA 0.379 4.735 4.350 0.009 0.000 0.250 81 T C 1.332 176.187 174.700 0.259 0.000 1.060 81 T CA 0.206 62.510 62.100 0.340 0.000 1.013 81 T CB 0.084 69.111 68.868 0.264 0.000 0.982 81 T HN 0.413 nan 8.240 nan 0.000 0.508 82 G N 1.671 110.637 108.800 0.277 0.000 2.325 82 G HA2 -0.168 3.798 3.960 0.009 0.000 0.248 82 G HA3 -0.168 3.798 3.960 0.009 0.000 0.248 82 G C -0.545 174.462 174.900 0.179 0.000 1.108 82 G CA -0.537 44.698 45.100 0.226 0.000 0.881 82 G HN 0.601 nan 8.290 nan 0.000 0.494 83 E N 1.056 121.366 120.200 0.183 0.000 2.175 83 E HA 0.475 4.830 4.350 0.009 0.000 0.278 83 E C 1.027 177.703 176.600 0.127 0.000 0.969 83 E CA -0.121 56.358 56.400 0.133 0.000 0.796 83 E CB 1.036 30.801 29.700 0.109 0.000 1.104 83 E HN 0.481 nan 8.360 nan 0.000 0.395 84 T N 0.368 114.981 114.554 0.100 0.000 2.891 84 T HA 0.029 4.384 4.350 0.009 0.000 0.296 84 T C 1.010 175.758 174.700 0.080 0.000 1.025 84 T CA -0.179 61.974 62.100 0.088 0.000 1.149 84 T CB 0.352 69.260 68.868 0.066 0.000 1.007 84 T HN 0.692 nan 8.240 nan 0.000 0.528 85 G N 3.941 112.792 108.800 0.085 0.000 2.148 85 G HA2 -0.051 3.914 3.960 0.009 0.000 0.242 85 G HA3 -0.051 3.914 3.960 0.009 0.000 0.242 85 G C 0.212 175.142 174.900 0.051 0.000 0.515 85 G CA 0.484 45.625 45.100 0.068 0.000 1.030 85 G HN 1.142 nan 8.290 nan 0.000 0.423 86 I N -1.815 118.784 120.570 0.049 0.000 3.932 86 I HA 0.814 4.990 4.170 0.009 0.000 0.256 86 I C 0.206 176.335 176.117 0.020 0.000 1.408 86 I CA -1.593 59.727 61.300 0.033 0.000 0.882 86 I CB 0.968 38.988 38.000 0.033 0.000 1.657 86 I HN 0.299 nan 8.210 nan 0.000 0.733 87 D N -1.481 118.927 120.400 0.014 0.000 2.362 87 D HA 0.330 4.976 4.640 0.009 0.000 0.232 87 D C -2.900 173.414 176.300 0.024 0.000 1.329 87 D CA -0.901 53.109 54.000 0.016 0.000 0.944 87 D CB 0.191 41.001 40.800 0.017 0.000 1.471 87 D HN 0.356 nan 8.370 nan 0.000 0.533 88 P HA 0.260 nan 4.420 nan 0.000 0.270 88 P C 1.118 178.469 177.300 0.085 0.000 1.227 88 P CA -0.132 62.982 63.100 0.025 0.000 0.788 88 P CB 0.794 32.468 31.700 -0.043 0.000 0.926 89 G N -0.108 108.761 108.800 0.114 0.000 2.961 89 G HA2 -0.122 3.844 3.960 0.009 0.000 0.150 89 G HA3 -0.122 3.844 3.960 0.009 0.000 0.150 89 G C 0.600 175.603 174.900 0.172 0.000 1.864 89 G CA 0.154 45.330 45.100 0.126 0.000 0.992 89 G HN 0.525 nan 8.290 nan 0.000 0.458 90 F N -0.371 119.537 119.950 -0.070 0.000 2.317 90 F HA 0.276 4.808 4.527 0.008 0.000 0.293 90 F C 1.078 176.840 175.800 -0.063 0.000 1.085 90 F CA -0.492 57.472 58.000 -0.060 0.000 1.390 90 F CB -0.045 38.695 39.000 -0.434 0.000 1.077 90 F HN 0.264 nan 8.300 nan 0.000 0.517 91 W N 3.478 124.976 121.300 0.331 0.000 1.265 91 W HA 0.172 4.838 4.660 0.011 0.000 0.544 91 W C 0.667 177.083 176.519 -0.172 0.000 0.608 91 W CA -0.299 57.109 57.345 0.106 0.000 2.428 91 W CB -0.787 28.744 29.460 0.118 0.000 1.367 91 W HN 0.038 nan 8.180 nan 0.000 0.180 92 S N -0.791 114.770 115.700 -0.232 0.000 2.747 92 S HA 0.422 4.898 4.470 0.009 0.000 0.300 92 S C 0.657 174.940 174.600 -0.528 0.000 1.121 92 S CA -0.816 57.082 58.200 -0.503 0.000 0.995 92 S CB 0.767 63.525 63.200 -0.737 0.000 1.113 92 S HN 0.164 nan 8.310 nan 0.000 0.547 93 F N 1.082 120.800 119.950 -0.387 0.000 2.161 93 F HA -0.019 4.513 4.527 0.009 0.000 0.300 93 F C 2.395 177.944 175.800 -0.417 0.000 1.089 93 F CA 1.631 59.448 58.000 -0.305 0.000 1.282 93 F CB -0.956 37.897 39.000 -0.245 0.000 1.010 93 F HN 0.572 nan 8.300 nan 0.000 0.485 94 E N -0.127 119.736 120.200 -0.562 0.000 2.106 94 E HA -0.066 4.290 4.350 0.009 0.000 0.192 94 E C 2.611 178.680 176.600 -0.885 0.000 0.984 94 E CA 1.095 57.023 56.400 -0.786 0.000 0.806 94 E CB -0.974 27.970 29.700 -1.261 0.000 0.750 94 E HN 0.344 nan 8.360 nan 0.000 0.458 95 G N 0.563 108.653 108.800 -1.185 0.000 2.421 95 G HA2 -0.246 3.720 3.960 0.009 0.000 0.216 95 G HA3 -0.246 3.720 3.960 0.009 0.000 0.216 95 G C 1.744 176.664 174.900 0.034 0.000 1.171 95 G CA 1.052 45.632 45.100 -0.867 0.000 0.775 95 G HN 0.188 nan 8.290 nan 0.000 0.543 96 V N 1.767 121.778 119.914 0.163 0.000 2.287 96 V HA -0.198 3.927 4.120 0.009 0.000 0.248 96 V C 3.359 179.621 176.094 0.280 0.000 1.053 96 V CA 2.186 64.700 62.300 0.358 0.000 1.027 96 V CB -1.079 30.859 31.823 0.191 0.000 0.646 96 V HN 0.489 nan 8.190 nan 0.000 0.447 97 A N -0.264 122.596 122.820 0.067 0.000 1.908 97 A HA -0.207 4.119 4.320 0.009 0.000 0.218 97 A C 2.165 179.825 177.584 0.125 0.000 1.181 97 A CA 2.207 54.259 52.037 0.024 0.000 0.627 97 A CB -0.585 18.383 19.000 -0.053 0.000 0.818 97 A HN 0.453 nan 8.150 nan 0.000 0.445 98 L N -0.147 121.147 121.223 0.118 0.000 1.955 98 L HA -0.081 4.265 4.340 0.009 0.000 0.213 98 L C 2.735 179.779 176.870 0.290 0.000 1.072 98 L CA 2.471 57.429 54.840 0.196 0.000 0.755 98 L CB -1.192 41.008 42.059 0.234 0.000 0.888 98 L HN 0.384 nan 8.230 nan 0.000 0.432 99 A N -1.022 122.047 122.820 0.414 0.000 1.894 99 A HA -0.397 3.929 4.320 0.009 0.000 0.220 99 A C 2.176 179.917 177.584 0.261 0.000 1.237 99 A CA 2.566 54.836 52.037 0.388 0.000 0.660 99 A CB -1.468 17.879 19.000 0.578 0.000 0.835 99 A HN 0.756 nan 8.150 nan 0.000 0.461 100 H N -0.635 118.545 119.070 0.184 0.000 2.290 100 H HA -0.109 4.453 4.556 0.009 0.000 0.298 100 H C 2.010 177.404 175.328 0.110 0.000 1.087 100 H CA 1.863 57.989 56.048 0.129 0.000 1.291 100 H CB -0.218 29.604 29.762 0.100 0.000 1.369 100 H HN 0.397 nan 8.280 nan 0.000 0.492 101 I N 0.191 120.899 120.570 0.231 0.000 2.315 101 I HA -0.231 3.944 4.170 0.009 0.000 0.251 101 I C 2.173 178.366 176.117 0.127 0.000 1.125 101 I CA 1.002 62.389 61.300 0.146 0.000 1.392 101 I CB -0.892 37.175 38.000 0.113 0.000 1.065 101 I HN 0.148 nan 8.210 nan 0.000 0.424 102 V N 0.468 120.466 119.914 0.140 0.000 2.323 102 V HA -0.219 3.907 4.120 0.009 0.000 0.244 102 V C 2.484 178.643 176.094 0.108 0.000 1.041 102 V CA 1.101 63.472 62.300 0.118 0.000 1.025 102 V CB -0.740 31.157 31.823 0.124 0.000 0.656 102 V HN 0.291 nan 8.190 nan 0.000 0.451 103 L N 1.667 122.949 121.223 0.098 0.000 2.013 103 L HA -0.190 4.155 4.340 0.009 0.000 0.212 103 L C 2.649 179.582 176.870 0.104 0.000 1.073 103 L CA 2.663 57.549 54.840 0.076 0.000 0.753 103 L CB -0.894 41.173 42.059 0.014 0.000 0.890 103 L HN 0.515 nan 8.230 nan 0.000 0.432 104 S N -1.408 114.363 115.700 0.118 0.000 2.474 104 S HA -0.019 4.457 4.470 0.009 0.000 0.235 104 S C 1.964 176.658 174.600 0.156 0.000 0.997 104 S CA 0.566 58.848 58.200 0.137 0.000 0.949 104 S CB -1.139 62.139 63.200 0.130 0.000 0.766 104 S HN 0.527 nan 8.310 nan 0.000 0.517 105 G N 1.924 110.805 108.800 0.135 0.000 2.404 105 G HA2 0.087 4.052 3.960 0.009 0.000 0.213 105 G HA3 0.087 4.052 3.960 0.009 0.000 0.213 105 G C 1.387 176.413 174.900 0.211 0.000 1.189 105 G CA 0.586 45.774 45.100 0.146 0.000 0.796 105 G HN 0.480 nan 8.290 nan 0.000 0.532 106 L N 0.074 121.394 121.223 0.161 0.000 1.994 106 L HA -0.024 4.322 4.340 0.009 0.000 0.208 106 L C 2.926 179.899 176.870 0.172 0.000 1.071 106 L CA 0.708 55.636 54.840 0.148 0.000 0.745 106 L CB -0.487 41.636 42.059 0.106 0.000 0.892 106 L HN 0.150 nan 8.230 nan 0.000 0.431 107 L N -1.239 120.087 121.223 0.171 0.000 2.081 107 L HA -0.291 4.054 4.340 0.009 0.000 0.212 107 L C 2.562 179.562 176.870 0.218 0.000 1.080 107 L CA 1.395 56.343 54.840 0.180 0.000 0.754 107 L CB -0.530 41.629 42.059 0.165 0.000 0.893 107 L HN 0.210 nan 8.230 nan 0.000 0.433 108 F N 0.544 120.554 119.950 0.101 0.000 2.075 108 F HA -0.244 4.288 4.527 0.009 0.000 0.297 108 F C 2.204 178.071 175.800 0.112 0.000 1.113 108 F CA 1.626 59.682 58.000 0.094 0.000 1.218 108 F CB -0.276 38.767 39.000 0.073 0.000 0.984 108 F HN -0.141 nan 8.300 nan 0.000 0.472 109 L N 0.176 121.507 121.223 0.180 0.000 1.989 109 L HA -0.236 4.110 4.340 0.009 0.000 0.211 109 L C 2.851 179.764 176.870 0.072 0.000 1.071 109 L CA 1.398 56.285 54.840 0.079 0.000 0.749 109 L CB -1.426 40.740 42.059 0.179 0.000 0.890 109 L HN 0.262 nan 8.230 nan 0.000 0.431 110 A N 0.076 122.974 122.820 0.130 0.000 1.948 110 A HA -0.230 4.096 4.320 0.009 0.000 0.220 110 A C 2.472 180.210 177.584 0.258 0.000 1.177 110 A CA 1.880 54.029 52.037 0.187 0.000 0.636 110 A CB -0.763 18.347 19.000 0.184 0.000 0.815 110 A HN 0.449 nan 8.150 nan 0.000 0.449 111 A N -1.604 121.306 122.820 0.149 0.000 2.070 111 A HA -0.082 4.244 4.320 0.009 0.000 0.220 111 A C 2.176 179.818 177.584 0.096 0.000 1.159 111 A CA 1.554 53.673 52.037 0.137 0.000 0.656 111 A CB -0.928 18.083 19.000 0.020 0.000 0.800 111 A HN 0.608 nan 8.150 nan 0.000 0.453 112 C N -3.261 116.035 119.300 -0.008 0.000 2.544 112 C HA -0.006 4.460 4.460 0.009 0.000 0.280 112 C C 2.225 177.303 174.990 0.146 0.000 1.295 112 C CA 0.286 59.301 59.018 -0.005 0.000 1.702 112 C CB -1.497 26.165 27.740 -0.130 0.000 2.090 112 C HN 0.876 nan 8.230 nan 0.000 0.493 113 W N 1.142 122.464 121.300 0.037 0.000 2.302 113 W HA -0.216 4.449 4.660 0.008 0.000 0.320 113 W C 2.579 179.174 176.519 0.128 0.000 1.241 113 W CA 2.033 59.414 57.345 0.059 0.000 1.264 113 W CB -0.659 28.812 29.460 0.017 0.000 1.154 113 W HN 0.433 nan 8.180 nan 0.000 0.483 114 H N -1.450 117.902 119.070 0.471 0.000 2.543 114 H HA -0.173 4.389 4.556 0.010 0.000 0.286 114 H C 1.785 177.259 175.328 0.243 0.000 1.037 114 H CA 1.554 57.829 56.048 0.378 0.000 1.250 114 H CB -0.851 29.187 29.762 0.459 0.000 1.373 114 H HN 0.472 nan 8.280 nan 0.000 0.580 115 W N 0.853 122.215 121.300 0.102 0.000 2.526 115 W HA -0.093 4.573 4.660 0.010 0.000 0.294 115 W C 1.618 178.147 176.519 0.016 0.000 1.181 115 W CA 0.727 58.104 57.345 0.053 0.000 1.373 115 W CB -0.217 29.237 29.460 -0.009 0.000 1.112 115 W HN -0.112 nan 8.180 nan 0.000 0.545 116 V N 0.861 120.770 119.914 -0.008 0.000 2.223 116 V HA -0.283 3.842 4.120 0.009 0.000 0.244 116 V C 0.772 176.628 176.094 -0.397 0.000 1.045 116 V CA 1.554 63.674 62.300 -0.300 0.000 1.000 116 V CB -1.288 30.097 31.823 -0.729 0.000 0.635 116 V HN -0.030 nan 8.190 nan 0.000 0.445 117 Y N 2.012 122.063 120.300 -0.415 0.000 2.623 117 Y HA 0.069 4.624 4.550 0.009 0.000 0.341 117 Y C 1.174 176.880 175.900 -0.324 0.000 1.292 117 Y CA -1.122 56.623 58.100 -0.591 0.000 1.840 117 Y CB -0.933 36.817 38.460 -1.183 0.000 1.865 117 Y HN 0.524 nan 8.280 nan 0.000 0.440 118 W N -0.911 120.340 121.300 -0.081 0.000 2.812 118 W HA 0.158 4.824 4.660 0.009 0.000 0.263 118 W C -0.489 176.105 176.519 0.125 0.000 1.284 118 W CA 0.070 57.415 57.345 0.000 0.000 1.430 118 W CB 0.131 29.465 29.460 -0.210 0.000 1.088 118 W HN 0.262 nan 8.180 nan 0.000 0.623 119 D N 2.486 122.353 120.400 -0.889 0.000 2.564 119 D HA 0.272 4.917 4.640 0.009 0.000 0.226 119 D C -0.649 175.478 176.300 -0.287 0.000 1.149 119 D CA 0.017 53.556 54.000 -0.768 0.000 0.994 119 D CB -0.490 39.435 40.800 -1.458 0.000 1.029 119 D HN -0.012 nan 8.370 nan 0.000 0.517 120 L N 2.378 123.583 121.223 -0.029 0.000 2.282 120 L HA 0.311 4.657 4.340 0.009 0.000 0.288 120 L C 1.708 178.485 176.870 -0.154 0.000 1.033 120 L CA -0.727 54.016 54.840 -0.162 0.000 0.807 120 L CB 1.695 43.548 42.059 -0.343 0.000 1.209 120 L HN 0.200 nan 8.230 nan 0.000 0.423 121 E N 3.038 123.165 120.200 -0.122 0.000 2.149 121 E HA -0.320 4.036 4.350 0.009 0.000 0.215 121 E C 1.754 178.315 176.600 -0.064 0.000 1.055 121 E CA 2.179 58.536 56.400 -0.072 0.000 0.870 121 E CB -0.191 29.468 29.700 -0.070 0.000 0.764 121 E HN 0.617 nan 8.360 nan 0.000 0.463 122 L N -0.125 121.002 121.223 -0.160 0.000 2.450 122 L HA -0.094 4.252 4.340 0.009 0.000 0.225 122 L C 1.598 178.453 176.870 -0.026 0.000 1.145 122 L CA 1.643 56.395 54.840 -0.148 0.000 0.801 122 L CB -0.431 41.478 42.059 -0.250 0.000 0.924 122 L HN 0.340 nan 8.230 nan 0.000 0.447 123 F N -1.207 118.768 119.950 0.041 0.000 2.714 123 F HA 0.170 4.702 4.527 0.009 0.000 0.294 123 F C 1.289 177.113 175.800 0.040 0.000 1.120 123 F CA -0.609 57.419 58.000 0.047 0.000 1.398 123 F CB 0.180 39.219 39.000 0.065 0.000 1.120 123 F HN -0.149 nan 8.300 nan 0.000 0.589 124 R N 1.251 121.872 120.500 0.203 0.000 2.474 124 R HA 0.098 4.444 4.340 0.009 0.000 0.295 124 R C -0.681 175.670 176.300 0.085 0.000 0.980 124 R CA -0.585 55.591 56.100 0.126 0.000 0.934 124 R CB 1.069 31.424 30.300 0.093 0.000 1.101 124 R HN -0.017 nan 8.270 nan 0.000 0.469 125 D N 3.781 124.223 120.400 0.070 0.000 2.434 125 D HA 0.006 4.651 4.640 0.009 0.000 0.252 125 D C -1.589 174.732 176.300 0.036 0.000 1.185 125 D CA -1.337 52.694 54.000 0.051 0.000 0.886 125 D CB 1.373 42.199 40.800 0.044 0.000 1.148 125 D HN 0.148 nan 8.370 nan 0.000 0.483 126 P HA -0.140 nan 4.420 nan 0.000 0.217 126 P C 1.428 178.735 177.300 0.012 0.000 1.150 126 P CA 1.853 64.962 63.100 0.016 0.000 0.832 126 P CB 0.126 31.832 31.700 0.010 0.000 0.787 127 R N 0.187 120.694 120.500 0.012 0.000 2.096 127 R HA -0.009 4.337 4.340 0.009 0.000 0.235 127 R C 1.631 177.937 176.300 0.010 0.000 1.127 127 R CA 2.010 58.115 56.100 0.008 0.000 0.968 127 R CB -2.086 28.217 30.300 0.005 0.000 0.861 127 R HN 0.498 nan 8.270 nan 0.000 0.440 128 T N -5.664 108.899 114.554 0.016 0.000 2.919 128 T HA 0.549 4.904 4.350 0.009 0.000 0.282 128 T C 1.210 175.923 174.700 0.022 0.000 1.020 128 T CA -0.069 62.042 62.100 0.017 0.000 0.994 128 T CB 1.778 70.659 68.868 0.021 0.000 1.180 128 T HN 0.224 nan 8.240 nan 0.000 0.566 129 G N -0.465 108.348 108.800 0.023 0.000 3.233 129 G HA2 0.307 4.272 3.960 0.009 0.000 0.234 129 G HA3 0.307 4.272 3.960 0.009 0.000 0.234 129 G C 0.010 174.933 174.900 0.039 0.000 1.137 129 G CA -0.424 44.693 45.100 0.027 0.000 0.763 129 G HN 0.753 nan 8.290 nan 0.000 0.549 130 E N 0.991 121.214 120.200 0.039 0.000 2.283 130 E HA 0.368 4.724 4.350 0.009 0.000 0.271 130 E C -2.568 174.067 176.600 0.059 0.000 1.031 130 E CA -2.062 54.365 56.400 0.046 0.000 0.868 130 E CB 1.367 31.087 29.700 0.033 0.000 1.094 130 E HN 0.005 nan 8.360 nan 0.000 0.401 131 P HA 0.255 nan 4.420 nan 0.000 0.274 131 P C -1.372 175.962 177.300 0.058 0.000 1.231 131 P CA -0.123 63.027 63.100 0.084 0.000 0.790 131 P CB 0.917 32.664 31.700 0.078 0.000 0.951 132 A N 1.621 124.483 122.820 0.071 0.000 2.590 132 A HA 0.607 4.932 4.320 0.009 0.000 0.296 132 A C -2.226 175.401 177.584 0.071 0.000 1.050 132 A CA -0.319 51.751 52.037 0.055 0.000 0.697 132 A CB 0.609 19.643 19.000 0.058 0.000 1.277 132 A HN 0.350 nan 8.150 nan 0.000 0.411 133 L N 1.551 122.804 121.223 0.050 0.000 2.376 133 L HA 0.484 4.829 4.340 0.009 0.000 0.275 133 L C -0.489 176.419 176.870 0.062 0.000 0.987 133 L CA -0.101 54.775 54.840 0.060 0.000 0.828 133 L CB 1.773 43.848 42.059 0.027 0.000 1.249 133 L HN 0.773 nan 8.230 nan 0.000 0.409 134 D N 2.999 123.444 120.400 0.075 0.000 2.498 134 D HA 0.154 4.800 4.640 0.009 0.000 0.229 134 D C 1.127 177.471 176.300 0.073 0.000 1.188 134 D CA 0.041 54.092 54.000 0.084 0.000 1.028 134 D CB 0.367 41.215 40.800 0.079 0.000 1.087 134 D HN 0.398 nan 8.370 nan 0.000 0.510 135 L N 4.012 125.271 121.223 0.060 0.000 2.043 135 L HA -0.069 4.277 4.340 0.009 0.000 0.212 135 L C -0.560 176.368 176.870 0.097 0.000 1.075 135 L CA 1.266 56.135 54.840 0.047 0.000 0.752 135 L CB -1.450 40.605 42.059 -0.006 0.000 0.891 135 L HN 0.365 nan 8.230 nan 0.000 0.432 136 P HA -0.203 nan 4.420 nan 0.000 0.216 136 P C 1.544 178.981 177.300 0.228 0.000 1.150 136 P CA 1.419 64.648 63.100 0.215 0.000 0.837 136 P CB 0.040 31.873 31.700 0.221 0.000 0.786 137 K N -1.251 119.232 120.400 0.139 0.000 2.186 137 K HA 0.012 4.338 4.320 0.009 0.000 0.202 137 K C 2.083 178.702 176.600 0.032 0.000 1.052 137 K CA 0.610 56.949 56.287 0.088 0.000 0.965 137 K CB -0.355 32.176 32.500 0.053 0.000 0.746 137 K HN -0.001 nan 8.250 nan 0.000 0.457 138 M N 0.276 119.886 119.600 0.016 0.000 2.065 138 M HA -0.204 4.282 4.480 0.009 0.000 0.259 138 M C 1.852 178.022 176.300 -0.217 0.000 1.071 138 M CA 1.771 56.994 55.300 -0.128 0.000 1.109 138 M CB -0.343 32.219 32.600 -0.064 0.000 1.313 138 M HN 0.199 nan 8.290 nan 0.000 0.408 139 F N 0.535 120.391 119.950 -0.156 0.000 2.025 139 F HA -0.123 4.410 4.527 0.009 0.000 0.297 139 F C 2.113 177.897 175.800 -0.027 0.000 1.132 139 F CA 2.059 60.008 58.000 -0.084 0.000 1.191 139 F CB -1.384 37.587 39.000 -0.048 0.000 0.963 139 F HN 0.213 nan 8.300 nan 0.000 0.481 140 G N 0.920 109.611 108.800 -0.182 0.000 2.503 140 G HA2 -0.296 3.670 3.960 0.009 0.000 0.221 140 G HA3 -0.296 3.670 3.960 0.009 0.000 0.221 140 G C 1.855 176.705 174.900 -0.083 0.000 1.131 140 G CA 1.512 46.494 45.100 -0.195 0.000 0.756 140 G HN 0.535 nan 8.290 nan 0.000 0.572 141 I N -0.381 120.159 120.570 -0.051 0.000 2.163 141 I HA -0.149 4.027 4.170 0.009 0.000 0.240 141 I C 2.540 178.780 176.117 0.205 0.000 1.081 141 I CA 1.356 62.688 61.300 0.053 0.000 1.353 141 I CB -0.594 37.412 38.000 0.009 0.000 1.054 141 I HN 0.270 nan 8.210 nan 0.000 0.407 142 H N 0.231 119.343 119.070 0.072 0.000 2.321 142 H HA -0.205 4.357 4.556 0.010 0.000 0.300 142 H C 2.160 177.499 175.328 0.019 0.000 1.087 142 H CA 1.220 57.312 56.048 0.074 0.000 1.319 142 H CB -0.036 29.790 29.762 0.107 0.000 1.379 142 H HN 0.168 nan 8.280 nan 0.000 0.501 143 L N 0.902 122.120 121.223 -0.008 0.000 2.127 143 L HA -0.173 4.173 4.340 0.009 0.000 0.211 143 L C 2.093 178.968 176.870 0.008 0.000 1.089 143 L CA 1.277 56.047 54.840 -0.116 0.000 0.757 143 L CB -0.862 40.880 42.059 -0.527 0.000 0.899 143 L HN 0.157 nan 8.230 nan 0.000 0.434 144 F N -0.252 119.665 119.950 -0.056 0.000 2.051 144 F HA -0.210 4.322 4.527 0.009 0.000 0.296 144 F C 2.069 177.894 175.800 0.042 0.000 1.122 144 F CA 2.026 60.026 58.000 0.000 0.000 1.201 144 F CB -0.529 38.477 39.000 0.010 0.000 0.978 144 F HN 0.074 nan 8.300 nan 0.000 0.472 145 L N 0.334 121.583 121.223 0.045 0.000 1.989 145 L HA -0.242 4.103 4.340 0.009 0.000 0.211 145 L C 2.861 179.698 176.870 -0.055 0.000 1.071 145 L CA 1.478 56.300 54.840 -0.030 0.000 0.749 145 L CB -1.530 40.601 42.059 0.120 0.000 0.890 145 L HN 0.281 nan 8.230 nan 0.000 0.431 146 A N 0.546 123.372 122.820 0.010 0.000 1.870 146 A HA -0.272 4.053 4.320 0.009 0.000 0.219 146 A C 2.420 180.015 177.584 0.019 0.000 1.224 146 A CA 2.467 54.520 52.037 0.026 0.000 0.650 146 A CB -1.684 17.346 19.000 0.050 0.000 0.836 146 A HN 0.484 nan 8.150 nan 0.000 0.454 147 G N -0.764 108.027 108.800 -0.015 0.000 2.440 147 G HA2 -0.165 3.801 3.960 0.009 0.000 0.218 147 G HA3 -0.165 3.801 3.960 0.009 0.000 0.218 147 G C 1.497 176.395 174.900 -0.004 0.000 1.154 147 G CA 1.268 46.368 45.100 0.000 0.000 0.767 147 G HN 0.498 nan 8.290 nan 0.000 0.552 148 L N -0.003 121.116 121.223 -0.173 0.000 1.990 148 L HA -0.075 4.271 4.340 0.009 0.000 0.213 148 L C 2.594 179.521 176.870 0.096 0.000 1.072 148 L CA 1.740 56.493 54.840 -0.144 0.000 0.755 148 L CB -0.566 41.279 42.059 -0.356 0.000 0.889 148 L HN 0.225 nan 8.230 nan 0.000 0.432 149 L N -1.031 120.233 121.223 0.069 0.000 2.056 149 L HA -0.206 4.140 4.340 0.009 0.000 0.207 149 L C 2.692 179.679 176.870 0.195 0.000 1.078 149 L CA 1.965 56.881 54.840 0.127 0.000 0.749 149 L CB -1.164 40.935 42.059 0.067 0.000 0.901 149 L HN 0.576 nan 8.230 nan 0.000 0.433 150 C N -0.720 118.694 119.300 0.190 0.000 2.398 150 C HA -0.263 4.203 4.460 0.009 0.000 0.276 150 C C 2.764 177.936 174.990 0.304 0.000 1.222 150 C CA 1.144 60.326 59.018 0.273 0.000 1.746 150 C CB -1.373 26.511 27.740 0.240 0.000 2.039 150 C HN 0.658 nan 8.230 nan 0.000 0.470 151 F N 1.979 122.013 119.950 0.140 0.000 2.046 151 F HA 0.059 4.592 4.527 0.009 0.000 0.297 151 F C 2.289 178.179 175.800 0.151 0.000 1.123 151 F CA 2.323 60.392 58.000 0.114 0.000 1.199 151 F CB -1.102 37.943 39.000 0.075 0.000 0.972 151 F HN 0.269 nan 8.300 nan 0.000 0.474 152 G N -0.120 108.853 108.800 0.289 0.000 2.513 152 G HA2 -0.394 3.572 3.960 0.009 0.000 0.219 152 G HA3 -0.394 3.572 3.960 0.009 0.000 0.219 152 G C 1.683 176.744 174.900 0.268 0.000 1.160 152 G CA 1.082 46.411 45.100 0.381 0.000 0.767 152 G HN 0.482 nan 8.290 nan 0.000 0.571 153 F N 2.498 122.481 119.950 0.055 0.000 2.095 153 F HA 0.012 4.545 4.527 0.009 0.000 0.298 153 F C 2.509 178.259 175.800 -0.083 0.000 1.104 153 F CA 1.741 59.724 58.000 -0.029 0.000 1.232 153 F CB -0.678 38.238 39.000 -0.140 0.000 0.987 153 F HN 0.100 nan 8.300 nan 0.000 0.475 154 G N -0.422 108.143 108.800 -0.391 0.000 2.394 154 G HA2 -0.106 3.860 3.960 0.009 0.000 0.214 154 G HA3 -0.106 3.860 3.960 0.009 0.000 0.214 154 G C 1.837 176.449 174.900 -0.480 0.000 1.176 154 G CA 0.868 45.672 45.100 -0.494 0.000 0.786 154 G HN 0.652 nan 8.290 nan 0.000 0.533 155 A N 0.485 122.912 122.820 -0.656 0.000 1.851 155 A HA 0.116 4.442 4.320 0.009 0.000 0.216 155 A C 2.154 179.265 177.584 -0.789 0.000 1.195 155 A CA 1.716 53.206 52.037 -0.912 0.000 0.622 155 A CB -0.513 17.515 19.000 -1.620 0.000 0.831 155 A HN 0.315 nan 8.150 nan 0.000 0.444 156 F N -2.357 117.524 119.950 -0.115 0.000 2.317 156 F HA 0.109 4.642 4.527 0.010 0.000 0.290 156 F C 2.323 178.104 175.800 -0.031 0.000 1.075 156 F CA 0.847 58.856 58.000 0.016 0.000 1.380 156 F CB -0.701 38.400 39.000 0.168 0.000 1.093 156 F HN 0.323 nan 8.300 nan 0.000 0.524 157 H N 1.251 120.318 119.070 -0.006 0.000 2.343 157 H HA -0.010 4.551 4.556 0.009 0.000 0.307 157 H C 2.293 177.492 175.328 -0.215 0.000 1.045 157 H CA 1.819 57.801 56.048 -0.111 0.000 1.281 157 H CB -0.611 29.099 29.762 -0.088 0.000 1.425 157 H HN 0.086 nan 8.280 nan 0.000 0.540 158 L N 0.413 121.529 121.223 -0.177 0.000 2.151 158 L HA -0.213 4.132 4.340 0.009 0.000 0.215 158 L C 2.484 179.253 176.870 -0.169 0.000 1.084 158 L CA 1.836 56.550 54.840 -0.210 0.000 0.764 158 L CB -0.783 41.037 42.059 -0.399 0.000 0.891 158 L HN 0.342 nan 8.230 nan 0.000 0.435 159 T N -0.943 113.503 114.554 -0.179 0.000 3.023 159 T HA 0.061 4.417 4.350 0.009 0.000 0.266 159 T C 1.541 176.190 174.700 -0.085 0.000 1.093 159 T CA 1.009 63.030 62.100 -0.132 0.000 1.129 159 T CB 0.050 68.829 68.868 -0.148 0.000 0.899 159 T HN 0.663 nan 8.240 nan 0.000 0.491 160 G N 0.916 109.663 108.800 -0.089 0.000 2.179 160 G HA2 -0.275 3.691 3.960 0.009 0.000 0.260 160 G HA3 -0.275 3.691 3.960 0.009 0.000 0.260 160 G C 0.844 175.756 174.900 0.020 0.000 0.977 160 G CA 0.443 45.505 45.100 -0.065 0.000 0.641 160 G HN 0.461 nan 8.290 nan 0.000 0.533 161 L N -0.609 120.644 121.223 0.050 0.000 2.042 161 L HA 0.364 4.710 4.340 0.009 0.000 0.210 161 L C 1.083 178.147 176.870 0.323 0.000 1.076 161 L CA 2.634 57.562 54.840 0.146 0.000 0.749 161 L CB -0.139 41.983 42.059 0.105 0.000 0.893 161 L HN 0.619 nan 8.230 nan 0.000 0.432 162 F N -0.470 119.559 119.950 0.131 0.000 3.167 162 F HA 0.513 5.046 4.527 0.009 0.000 0.389 162 F C -0.018 175.802 175.800 0.034 0.000 1.233 162 F CA 0.056 58.121 58.000 0.108 0.000 1.238 162 F CB 0.265 39.356 39.000 0.152 0.000 1.971 162 F HN 0.159 nan 8.300 nan 0.000 0.651 163 G N 3.824 112.452 108.800 -0.287 0.000 2.357 163 G HA2 0.153 4.119 3.960 0.009 0.000 0.289 163 G HA3 0.153 4.119 3.960 0.009 0.000 0.289 163 G C -3.345 171.338 174.900 -0.361 0.000 1.302 163 G CA -0.632 44.190 45.100 -0.464 0.000 0.936 163 G HN 0.245 nan 8.290 nan 0.000 0.513 164 P HA 0.533 nan 4.420 nan 0.000 0.312 164 P C 0.723 177.842 177.300 -0.301 0.000 1.308 164 P CA 0.715 63.644 63.100 -0.285 0.000 0.743 164 P CB 0.973 32.546 31.700 -0.211 0.000 1.364 165 G N -0.899 107.817 108.800 -0.140 0.000 3.392 165 G HA2 0.657 4.623 3.960 0.009 0.000 0.188 165 G HA3 0.657 4.623 3.960 0.009 0.000 0.188 165 G C -0.184 174.739 174.900 0.039 0.000 1.485 165 G CA -0.511 44.543 45.100 -0.077 0.000 0.943 165 G HN 0.679 nan 8.290 nan 0.000 0.627 166 M N -1.956 117.676 119.600 0.053 0.000 2.569 166 M HA 0.459 4.945 4.480 0.009 0.000 0.279 166 M C -1.598 174.792 176.300 0.150 0.000 1.253 166 M CA -0.984 54.398 55.300 0.136 0.000 0.867 166 M CB 2.920 35.586 32.600 0.110 0.000 1.727 166 M HN 0.477 nan 8.290 nan 0.000 0.467 167 W N 3.523 124.850 121.300 0.045 0.000 2.469 167 W HA 0.513 5.179 4.660 0.009 0.000 0.321 167 W C -2.141 174.402 176.519 0.040 0.000 1.415 167 W CA 0.114 57.485 57.345 0.044 0.000 1.308 167 W CB 0.755 30.244 29.460 0.048 0.000 1.368 167 W HN 0.535 nan 8.180 nan 0.000 0.546 168 V N 6.202 125.988 119.914 -0.213 0.000 2.604 168 V HA 0.395 4.521 4.120 0.009 0.000 0.305 168 V C 0.007 175.959 176.094 -0.237 0.000 1.043 168 V CA -0.526 61.709 62.300 -0.109 0.000 0.888 168 V CB 1.627 33.396 31.823 -0.090 0.000 0.995 168 V HN 0.570 nan 8.190 nan 0.000 0.429 169 S N 1.853 117.535 115.700 -0.030 0.000 2.851 169 S HA 0.579 5.055 4.470 0.009 0.000 0.317 169 S C -1.256 173.368 174.600 0.040 0.000 1.144 169 S CA -0.681 57.530 58.200 0.018 0.000 0.862 169 S CB 1.709 65.044 63.200 0.226 0.000 1.259 169 S HN 0.950 nan 8.310 nan 0.000 0.564 170 D N 0.160 120.607 120.400 0.078 0.000 2.529 170 D HA 0.361 5.006 4.640 0.009 0.000 0.273 170 D C -1.957 174.356 176.300 0.021 0.000 1.197 170 D CA -1.190 52.847 54.000 0.061 0.000 1.070 170 D CB -0.438 40.426 40.800 0.106 0.000 1.134 170 D HN 0.210 nan 8.370 nan 0.000 0.590 171 P HA -0.093 nan 4.420 nan 0.000 0.219 171 P C -0.083 176.912 177.300 -0.509 0.000 1.146 171 P CA 1.233 64.138 63.100 -0.325 0.000 0.808 171 P CB -0.105 31.334 31.700 -0.434 0.000 0.779 172 Y N -1.768 118.622 120.300 0.150 0.000 2.736 172 Y HA 0.454 5.010 4.550 0.009 0.000 0.293 172 Y C 1.378 177.501 175.900 0.373 0.000 1.062 172 Y CA -0.732 57.532 58.100 0.272 0.000 1.247 172 Y CB -0.408 38.210 38.460 0.264 0.000 1.200 172 Y HN -0.149 nan 8.280 nan 0.000 0.552 173 G N 1.361 110.368 108.800 0.346 0.000 2.424 173 G HA2 -0.288 3.678 3.960 0.009 0.000 0.294 173 G HA3 -0.288 3.678 3.960 0.009 0.000 0.294 173 G C 0.571 175.812 174.900 0.569 0.000 0.939 173 G CA 1.129 46.481 45.100 0.419 0.000 1.143 173 G HN 0.622 nan 8.290 nan 0.000 0.507 174 L N -1.369 120.115 121.223 0.436 0.000 2.609 174 L HA 0.176 4.521 4.340 0.009 0.000 0.230 174 L C 2.112 179.138 176.870 0.261 0.000 1.064 174 L CA 1.128 56.184 54.840 0.360 0.000 0.873 174 L CB 0.332 42.574 42.059 0.305 0.000 1.139 174 L HN 0.251 nan 8.230 nan 0.000 0.490 175 T N -0.519 114.164 114.554 0.215 0.000 3.040 175 T HA 0.204 4.560 4.350 0.009 0.000 0.266 175 T C 1.003 175.726 174.700 0.039 0.000 1.005 175 T CA 0.010 62.183 62.100 0.123 0.000 0.906 175 T CB 0.409 69.323 68.868 0.077 0.000 1.082 175 T HN 0.267 nan 8.240 nan 0.000 0.531 176 G N 2.394 111.254 108.800 0.100 0.000 2.614 176 G HA2 0.322 4.288 3.960 0.009 0.000 0.229 176 G HA3 0.322 4.288 3.960 0.009 0.000 0.229 176 G C 0.131 174.563 174.900 -0.779 0.000 1.232 176 G CA 0.545 45.523 45.100 -0.203 0.000 0.857 176 G HN 0.726 nan 8.290 nan 0.000 0.560 177 S N -1.496 113.298 115.700 -1.510 0.000 2.656 177 S HA 0.409 4.884 4.470 0.009 0.000 0.265 177 S C -1.239 172.794 174.600 -0.946 0.000 1.132 177 S CA -0.728 56.730 58.200 -1.237 0.000 0.819 177 S CB 1.242 64.152 63.200 -0.483 0.000 1.119 177 S HN 1.017 nan 8.310 nan 0.000 0.476 178 V N 2.474 122.142 119.914 -0.411 0.000 2.333 178 V HA 0.585 4.711 4.120 0.009 0.000 0.274 178 V C -0.515 175.501 176.094 -0.129 0.000 1.028 178 V CA -0.141 62.070 62.300 -0.148 0.000 0.851 178 V CB 0.729 32.560 31.823 0.014 0.000 1.000 178 V HN 0.722 nan 8.190 nan 0.000 0.456 179 Q N 5.292 125.021 119.800 -0.117 0.000 2.484 179 Q HA 0.534 4.879 4.340 0.009 0.000 0.285 179 Q C -2.841 173.117 176.000 -0.071 0.000 1.097 179 Q CA -2.280 53.467 55.803 -0.092 0.000 0.802 179 Q CB 2.671 31.348 28.738 -0.102 0.000 1.444 179 Q HN 0.339 nan 8.270 nan 0.000 0.429 180 P HA 0.217 nan 4.420 nan 0.000 0.287 180 P C -0.778 176.482 177.300 -0.067 0.000 1.281 180 P CA -0.254 62.805 63.100 -0.069 0.000 0.781 180 P CB 0.874 32.539 31.700 -0.058 0.000 0.903 181 V N 2.983 122.850 119.914 -0.079 0.000 2.539 181 V HA 0.627 4.753 4.120 0.009 0.000 0.292 181 V C 0.453 176.488 176.094 -0.098 0.000 1.045 181 V CA -0.766 61.484 62.300 -0.083 0.000 0.945 181 V CB 1.378 33.149 31.823 -0.087 0.000 0.993 181 V HN 0.578 nan 8.190 nan 0.000 0.464 182 A N 6.030 128.797 122.820 -0.090 0.000 2.290 182 A HA 0.802 5.128 4.320 0.009 0.000 0.310 182 A C -2.452 175.040 177.584 -0.154 0.000 1.202 182 A CA -1.680 50.304 52.037 -0.089 0.000 0.837 182 A CB 0.376 19.348 19.000 -0.047 0.000 1.139 182 A HN 0.687 nan 8.150 nan 0.000 0.509 183 P HA 0.166 nan 4.420 nan 0.000 0.270 183 P C -0.480 176.506 177.300 -0.523 0.000 1.221 183 P CA 0.128 62.950 63.100 -0.462 0.000 0.788 183 P CB 0.461 31.831 31.700 -0.550 0.000 0.904 184 E N 0.628 120.380 120.200 -0.747 0.000 2.361 184 E HA 0.166 4.522 4.350 0.009 0.000 0.270 184 E C -0.702 175.586 176.600 -0.520 0.000 0.911 184 E CA -0.358 55.749 56.400 -0.488 0.000 0.818 184 E CB 0.369 29.949 29.700 -0.201 0.000 1.332 184 E HN 0.365 nan 8.360 nan 0.000 0.402 185 W N 3.067 124.406 121.300 0.065 0.000 3.003 185 W HA 0.275 4.940 4.660 0.009 0.000 0.257 185 W C 1.304 177.894 176.519 0.118 0.000 1.308 185 W CA 0.096 57.501 57.345 0.100 0.000 1.529 185 W CB 0.045 29.547 29.460 0.071 0.000 1.115 185 W HN 0.491 nan 8.180 nan 0.000 0.659 186 G N 2.479 111.417 108.800 0.230 0.000 2.785 186 G HA2 0.022 3.987 3.960 0.009 0.000 0.256 186 G HA3 0.022 3.987 3.960 0.009 0.000 0.256 186 G C -0.913 174.085 174.900 0.163 0.000 1.248 186 G CA -0.427 44.771 45.100 0.163 0.000 0.914 186 G HN -0.053 nan 8.290 nan 0.000 0.580 187 P HA -0.058 nan 4.420 nan 0.000 0.222 187 P C 0.908 178.301 177.300 0.156 0.000 1.153 187 P CA 1.287 64.431 63.100 0.072 0.000 0.798 187 P CB 0.234 31.928 31.700 -0.009 0.000 0.796 188 D N 0.593 121.059 120.400 0.111 0.000 2.265 188 D HA -0.106 4.539 4.640 0.009 0.000 0.208 188 D C 2.121 178.485 176.300 0.106 0.000 0.977 188 D CA 1.287 55.342 54.000 0.093 0.000 0.871 188 D CB -0.865 39.966 40.800 0.052 0.000 0.925 188 D HN 0.083 nan 8.370 nan 0.000 0.485 189 G N -1.438 107.441 108.800 0.132 0.000 2.653 189 G HA2 -0.165 3.801 3.960 0.009 0.000 0.212 189 G HA3 -0.165 3.801 3.960 0.009 0.000 0.212 189 G C 0.623 175.509 174.900 -0.023 0.000 1.138 189 G CA 0.064 45.182 45.100 0.029 0.000 0.782 189 G HN 0.257 nan 8.290 nan 0.000 0.535 190 F N -0.291 119.635 119.950 -0.040 0.000 2.678 190 F HA 0.274 4.806 4.527 0.010 0.000 0.305 190 F C 1.035 176.795 175.800 -0.066 0.000 1.090 190 F CA -1.249 56.726 58.000 -0.042 0.000 1.272 190 F CB 0.105 39.094 39.000 -0.018 0.000 1.060 190 F HN 0.056 nan 8.300 nan 0.000 0.576 191 N N 3.228 121.960 118.700 0.054 0.000 2.411 191 N HA 0.065 4.811 4.740 0.009 0.000 0.259 191 N C -1.534 173.899 175.510 -0.129 0.000 1.103 191 N CA -1.409 51.634 53.050 -0.011 0.000 0.954 191 N CB 1.109 39.617 38.487 0.036 0.000 1.085 191 N HN -0.134 nan 8.380 nan 0.000 0.485 192 P HA -0.172 nan 4.420 nan 0.000 0.224 192 P C -0.053 176.945 177.300 -0.503 0.000 1.142 192 P CA 1.286 64.125 63.100 -0.435 0.000 0.778 192 P CB -0.006 31.346 31.700 -0.579 0.000 0.764 193 Y N -1.132 119.125 120.300 -0.071 0.000 2.457 193 Y HA 0.192 4.748 4.550 0.009 0.000 0.263 193 Y C 1.226 177.091 175.900 -0.059 0.000 1.164 193 Y CA -0.641 57.417 58.100 -0.070 0.000 1.274 193 Y CB -0.422 37.988 38.460 -0.084 0.000 1.097 193 Y HN -0.026 nan 8.280 nan 0.000 0.523 194 N N 1.700 120.414 118.700 0.024 0.000 2.485 194 N HA 0.129 4.875 4.740 0.009 0.000 0.243 194 N C -2.291 173.194 175.510 -0.043 0.000 0.987 194 N CA -1.842 51.207 53.050 -0.001 0.000 0.940 194 N CB 1.566 40.046 38.487 -0.011 0.000 1.122 194 N HN -0.021 nan 8.380 nan 0.000 0.509 195 P HA -0.092 nan 4.420 nan 0.000 0.217 195 P C 1.224 178.473 177.300 -0.085 0.000 1.151 195 P CA 1.171 64.246 63.100 -0.041 0.000 0.849 195 P CB 0.087 31.775 31.700 -0.020 0.000 0.787 196 G N -0.615 108.125 108.800 -0.101 0.000 2.499 196 G HA2 -0.240 3.726 3.960 0.009 0.000 0.221 196 G HA3 -0.240 3.726 3.960 0.009 0.000 0.221 196 G C 1.694 176.463 174.900 -0.219 0.000 1.109 196 G CA 0.957 45.961 45.100 -0.161 0.000 0.749 196 G HN 0.399 nan 8.290 nan 0.000 0.568 197 G N 0.114 108.807 108.800 -0.178 0.000 2.421 197 G HA2 -0.037 3.929 3.960 0.009 0.000 0.217 197 G HA3 -0.037 3.929 3.960 0.009 0.000 0.217 197 G C 1.637 176.420 174.900 -0.195 0.000 1.143 197 G CA 0.934 45.900 45.100 -0.224 0.000 0.784 197 G HN 0.319 nan 8.290 nan 0.000 0.541 198 V N 0.646 120.486 119.914 -0.123 0.000 2.759 198 V HA -0.108 4.017 4.120 0.009 0.000 0.256 198 V C 2.808 178.943 176.094 0.070 0.000 1.080 198 V CA 1.205 63.495 62.300 -0.017 0.000 1.101 198 V CB 0.134 31.966 31.823 0.016 0.000 0.698 198 V HN 0.261 nan 8.190 nan 0.000 0.477 199 V N 0.186 120.046 119.914 -0.090 0.000 2.341 199 V HA -0.028 4.098 4.120 0.009 0.000 0.240 199 V C 2.715 178.679 176.094 -0.215 0.000 1.035 199 V CA 1.480 63.688 62.300 -0.153 0.000 1.033 199 V CB -1.153 30.533 31.823 -0.228 0.000 0.678 199 V HN 0.471 nan 8.190 nan 0.000 0.464 200 A N 0.122 122.692 122.820 -0.418 0.000 1.948 200 A HA -0.350 3.976 4.320 0.009 0.000 0.220 200 A C 2.088 179.516 177.584 -0.260 0.000 1.177 200 A CA 2.721 54.349 52.037 -0.682 0.000 0.636 200 A CB -0.912 17.521 19.000 -0.945 0.000 0.815 200 A HN 0.835 nan 8.150 nan 0.000 0.449 201 H N -1.010 117.905 119.070 -0.259 0.000 2.256 201 H HA -0.180 4.381 4.556 0.009 0.000 0.299 201 H C 1.906 177.149 175.328 -0.140 0.000 1.071 201 H CA 2.355 58.267 56.048 -0.227 0.000 1.280 201 H CB -0.480 29.069 29.762 -0.356 0.000 1.370 201 H HN 0.626 nan 8.280 nan 0.000 0.490 202 H N -0.791 118.275 119.070 -0.007 0.000 2.518 202 H HA -0.038 4.523 4.556 0.010 0.000 0.292 202 H C 2.118 177.422 175.328 -0.040 0.000 1.068 202 H CA 1.328 57.377 56.048 0.002 0.000 1.275 202 H CB 0.011 29.856 29.762 0.138 0.000 1.375 202 H HN 0.405 nan 8.280 nan 0.000 0.563 203 I N -0.547 120.051 120.570 0.048 0.000 2.429 203 I HA -0.100 4.076 4.170 0.009 0.000 0.247 203 I C 2.445 178.735 176.117 0.287 0.000 1.099 203 I CA 0.656 62.042 61.300 0.144 0.000 1.422 203 I CB -0.102 38.012 38.000 0.190 0.000 1.112 203 I HN 0.327 nan 8.210 nan 0.000 0.430 204 A N 0.830 123.780 122.820 0.216 0.000 1.832 204 A HA -0.086 4.239 4.320 0.009 0.000 0.214 204 A C 2.453 180.066 177.584 0.049 0.000 1.204 204 A CA 1.559 53.710 52.037 0.190 0.000 0.606 204 A CB -1.100 18.030 19.000 0.217 0.000 0.849 204 A HN 0.368 nan 8.150 nan 0.000 0.445 205 A N -0.617 122.116 122.820 -0.145 0.000 2.139 205 A HA 0.082 4.408 4.320 0.009 0.000 0.221 205 A C 2.191 179.753 177.584 -0.037 0.000 1.159 205 A CA 1.961 53.891 52.037 -0.179 0.000 0.662 205 A CB -1.170 17.517 19.000 -0.522 0.000 0.796 205 A HN 0.744 nan 8.150 nan 0.000 0.463 206 G N -0.111 108.724 108.800 0.058 0.000 2.395 206 G HA2 -0.077 3.889 3.960 0.009 0.000 0.214 206 G HA3 -0.077 3.889 3.960 0.009 0.000 0.214 206 G C 1.507 176.485 174.900 0.130 0.000 1.177 206 G CA 0.921 46.125 45.100 0.173 0.000 0.794 206 G HN 0.460 nan 8.290 nan 0.000 0.532 207 I N 0.558 121.210 120.570 0.137 0.000 2.163 207 I HA -0.139 4.037 4.170 0.009 0.000 0.240 207 I C 2.722 178.856 176.117 0.028 0.000 1.081 207 I CA 0.569 61.883 61.300 0.024 0.000 1.353 207 I CB -0.250 37.771 38.000 0.035 0.000 1.054 207 I HN -0.018 nan 8.210 nan 0.000 0.407 208 V N 1.113 121.054 119.914 0.045 0.000 2.688 208 V HA -0.218 3.908 4.120 0.009 0.000 0.256 208 V C 2.310 178.429 176.094 0.042 0.000 1.084 208 V CA 1.986 64.311 62.300 0.042 0.000 1.103 208 V CB -1.200 30.647 31.823 0.040 0.000 0.688 208 V HN 0.617 nan 8.190 nan 0.000 0.480 209 G N -0.869 107.953 108.800 0.037 0.000 2.539 209 G HA2 -0.009 3.956 3.960 0.009 0.000 0.215 209 G HA3 -0.009 3.956 3.960 0.009 0.000 0.215 209 G C 1.476 176.392 174.900 0.027 0.000 1.141 209 G CA 0.210 45.329 45.100 0.032 0.000 0.806 209 G HN 0.464 nan 8.290 nan 0.000 0.533 210 I N 0.410 120.985 120.570 0.008 0.000 2.233 210 I HA -0.051 4.125 4.170 0.009 0.000 0.243 210 I C 2.594 178.807 176.117 0.160 0.000 1.093 210 I CA 0.675 61.979 61.300 0.007 0.000 1.380 210 I CB -0.206 37.745 38.000 -0.080 0.000 1.067 210 I HN 0.106 nan 8.210 nan 0.000 0.413 211 I N 1.215 121.851 120.570 0.109 0.000 2.091 211 I HA -0.341 3.835 4.170 0.009 0.000 0.239 211 I C 2.846 179.071 176.117 0.179 0.000 1.061 211 I CA 1.704 63.083 61.300 0.133 0.000 1.317 211 I CB -0.495 37.558 38.000 0.089 0.000 1.031 211 I HN 0.188 nan 8.210 nan 0.000 0.401 212 A N 0.771 123.677 122.820 0.143 0.000 1.986 212 A HA -0.186 4.140 4.320 0.009 0.000 0.220 212 A C 2.360 180.102 177.584 0.263 0.000 1.171 212 A CA 2.063 54.200 52.037 0.168 0.000 0.640 212 A CB -1.475 17.581 19.000 0.094 0.000 0.811 212 A HN 0.541 nan 8.150 nan 0.000 0.451 213 G N -0.028 108.891 108.800 0.199 0.000 2.453 213 G HA2 -0.167 3.799 3.960 0.009 0.000 0.215 213 G HA3 -0.167 3.799 3.960 0.009 0.000 0.215 213 G C 1.537 176.568 174.900 0.219 0.000 1.201 213 G CA 1.008 46.222 45.100 0.190 0.000 0.784 213 G HN 0.444 nan 8.290 nan 0.000 0.545 214 L N -0.475 120.879 121.223 0.217 0.000 2.021 214 L HA -0.141 4.205 4.340 0.009 0.000 0.215 214 L C 2.567 179.508 176.870 0.118 0.000 1.074 214 L CA 1.693 56.579 54.840 0.077 0.000 0.760 214 L CB -0.681 41.421 42.059 0.072 0.000 0.889 214 L HN 0.283 nan 8.230 nan 0.000 0.433 215 F N 0.756 120.727 119.950 0.034 0.000 2.027 215 F HA -0.366 4.166 4.527 0.009 0.000 0.297 215 F C 2.573 178.345 175.800 -0.047 0.000 1.129 215 F CA 2.260 60.248 58.000 -0.020 0.000 1.195 215 F CB -0.361 38.618 39.000 -0.035 0.000 0.960 215 F HN 0.075 nan 8.300 nan 0.000 0.485 216 H N -0.035 119.347 119.070 0.521 0.000 2.489 216 H HA -0.083 4.479 4.556 0.010 0.000 0.293 216 H C 2.190 177.588 175.328 0.116 0.000 1.066 216 H CA 1.759 58.016 56.048 0.349 0.000 1.305 216 H CB -0.284 29.625 29.762 0.246 0.000 1.386 216 H HN 0.366 nan 8.280 nan 0.000 0.551 217 I N -0.174 120.482 120.570 0.143 0.000 2.439 217 I HA -0.192 3.983 4.170 0.009 0.000 0.251 217 I C 1.365 177.468 176.117 -0.024 0.000 1.139 217 I CA 1.025 62.341 61.300 0.026 0.000 1.438 217 I CB 0.084 38.051 38.000 -0.055 0.000 1.085 217 I HN 0.249 nan 8.210 nan 0.000 0.427 218 L N -0.819 120.360 121.223 -0.074 0.000 2.356 218 L HA 0.140 4.486 4.340 0.009 0.000 0.193 218 L C 0.792 177.543 176.870 -0.198 0.000 1.087 218 L CA 0.143 54.900 54.840 -0.140 0.000 0.817 218 L CB -0.361 41.594 42.059 -0.172 0.000 1.035 218 L HN -0.201 nan 8.230 nan 0.000 0.482 219 V N 2.185 121.871 119.914 -0.380 0.000 2.555 219 V HA 0.139 4.264 4.120 0.009 0.000 0.286 219 V C 0.520 176.523 176.094 -0.152 0.000 1.044 219 V CA -0.369 61.684 62.300 -0.412 0.000 1.026 219 V CB 0.711 31.956 31.823 -0.964 0.000 0.981 219 V HN 0.218 nan 8.190 nan 0.000 0.480 220 R N 5.240 125.696 120.500 -0.074 0.000 2.560 220 R HA 0.371 4.717 4.340 0.009 0.000 0.270 220 R C -2.249 174.095 176.300 0.073 0.000 1.074 220 R CA -1.888 54.227 56.100 0.024 0.000 1.140 220 R CB 0.662 30.966 30.300 0.006 0.000 1.073 220 R HN 0.513 nan 8.270 nan 0.000 0.527 221 P HA 0.198 nan 4.420 nan 0.000 0.276 221 P C -2.496 174.885 177.300 0.134 0.000 1.253 221 P CA -1.296 61.911 63.100 0.179 0.000 0.766 221 P CB -0.103 31.754 31.700 0.262 0.000 0.845 222 P HA -0.104 nan 4.420 nan 0.000 0.261 222 P C 1.394 178.742 177.300 0.080 0.000 1.165 222 P CA 0.300 63.445 63.100 0.074 0.000 0.759 222 P CB 0.293 32.035 31.700 0.071 0.000 0.772 223 Q N 4.428 124.252 119.800 0.040 0.000 2.065 223 Q HA -0.357 3.989 4.340 0.009 0.000 0.213 223 Q C 2.321 178.358 176.000 0.062 0.000 1.012 223 Q CA 3.107 58.923 55.803 0.022 0.000 0.876 223 Q CB -0.530 28.203 28.738 -0.009 0.000 0.954 223 Q HN 0.481 nan 8.270 nan 0.000 0.413 224 R N 0.615 121.144 120.500 0.048 0.000 2.112 224 R HA -0.155 4.191 4.340 0.009 0.000 0.242 224 R C 2.632 178.970 176.300 0.065 0.000 1.137 224 R CA 2.025 58.153 56.100 0.046 0.000 0.944 224 R CB -1.624 28.695 30.300 0.032 0.000 0.857 224 R HN 0.481 nan 8.270 nan 0.000 0.435 225 L N -1.728 119.542 121.223 0.079 0.000 2.027 225 L HA -0.097 4.248 4.340 0.009 0.000 0.206 225 L C 2.739 179.670 176.870 0.102 0.000 1.074 225 L CA 1.690 56.576 54.840 0.076 0.000 0.745 225 L CB -0.566 41.539 42.059 0.077 0.000 0.898 225 L HN 0.552 nan 8.230 nan 0.000 0.433 226 Y N 0.994 121.301 120.300 0.011 0.000 2.241 226 Y HA -0.297 4.259 4.550 0.009 0.000 0.286 226 Y C 2.546 178.441 175.900 -0.008 0.000 1.166 226 Y CA 1.562 59.666 58.100 0.006 0.000 1.203 226 Y CB 0.082 38.549 38.460 0.011 0.000 0.977 226 Y HN 0.066 nan 8.280 nan 0.000 0.529 227 K N -0.229 120.310 120.400 0.232 0.000 2.005 227 K HA -0.067 4.259 4.320 0.009 0.000 0.206 227 K C 2.376 178.997 176.600 0.034 0.000 1.044 227 K CA 0.719 57.087 56.287 0.135 0.000 0.942 227 K CB -0.517 32.033 32.500 0.083 0.000 0.727 227 K HN 0.323 nan 8.250 nan 0.000 0.439 228 A N 2.397 125.230 122.820 0.021 0.000 1.862 228 A HA -0.186 4.140 4.320 0.009 0.000 0.217 228 A C 1.570 179.127 177.584 -0.045 0.000 1.251 228 A CA 1.544 53.572 52.037 -0.015 0.000 0.673 228 A CB -1.230 17.768 19.000 -0.004 0.000 0.843 228 A HN 0.284 nan 8.150 nan 0.000 0.458 229 L N 0.947 122.138 121.223 -0.052 0.000 2.650 229 L HA 0.061 4.407 4.340 0.009 0.000 0.239 229 L C 0.054 176.844 176.870 -0.133 0.000 1.412 229 L CA -0.565 54.225 54.840 -0.083 0.000 1.219 229 L CB -0.664 41.347 42.059 -0.081 0.000 1.534 229 L HN 0.269 nan 8.230 nan 0.000 0.430 230 R N -0.010 120.419 120.500 -0.119 0.000 1.232 230 R HA -0.215 4.131 4.340 0.009 0.000 0.171 230 R C 0.416 176.567 176.300 -0.248 0.000 0.466 230 R CA 0.564 56.578 56.100 -0.143 0.000 0.275 230 R CB -1.485 28.746 30.300 -0.114 0.000 1.664 230 R HN 0.472 nan 8.270 nan 0.000 0.583 231 M N -0.177 119.152 119.600 -0.452 0.000 1.790 231 M HA 0.076 4.562 4.480 0.009 0.000 0.172 231 M C 1.964 177.925 176.300 -0.565 0.000 1.275 231 M CA 2.127 57.045 55.300 -0.637 0.000 0.784 231 M CB -0.058 31.847 32.600 -1.158 0.000 1.117 231 M HN 0.611 nan 8.290 nan 0.000 0.337 232 G N 0.086 108.634 108.800 -0.420 0.000 2.343 232 G HA2 -0.367 3.599 3.960 0.009 0.000 0.264 232 G HA3 -0.367 3.599 3.960 0.009 0.000 0.264 232 G C 0.286 175.135 174.900 -0.085 0.000 0.989 232 G CA 0.919 45.944 45.100 -0.126 0.000 0.627 232 G HN 0.852 nan 8.290 nan 0.000 0.549 233 N N 0.127 118.750 118.700 -0.128 0.000 2.485 233 N HA 0.482 5.228 4.740 0.009 0.000 0.243 233 N C 1.600 177.050 175.510 -0.101 0.000 0.987 233 N CA -0.309 52.682 53.050 -0.098 0.000 0.940 233 N CB 0.377 38.802 38.487 -0.104 0.000 1.122 233 N HN 0.225 nan 8.380 nan 0.000 0.509 234 I N 2.883 123.404 120.570 -0.082 0.000 2.315 234 I HA -0.251 3.925 4.170 0.009 0.000 0.251 234 I C 1.841 177.908 176.117 -0.084 0.000 1.125 234 I CA 1.433 62.687 61.300 -0.076 0.000 1.392 234 I CB 0.056 38.015 38.000 -0.068 0.000 1.065 234 I HN 0.704 nan 8.210 nan 0.000 0.424 235 E N -0.493 119.652 120.200 -0.091 0.000 2.533 235 E HA -0.194 4.161 4.350 0.009 0.000 0.201 235 E C 1.493 178.040 176.600 -0.089 0.000 1.097 235 E CA 0.737 57.080 56.400 -0.096 0.000 0.887 235 E CB 0.029 29.672 29.700 -0.095 0.000 0.855 235 E HN 0.368 nan 8.360 nan 0.000 0.540 236 T N -1.634 112.864 114.554 -0.094 0.000 3.022 236 T HA 0.076 4.432 4.350 0.009 0.000 0.250 236 T C 1.387 176.036 174.700 -0.084 0.000 1.060 236 T CA 0.149 62.196 62.100 -0.089 0.000 1.013 236 T CB 0.437 69.236 68.868 -0.115 0.000 0.982 236 T HN 0.014 nan 8.240 nan 0.000 0.508 237 V N 1.475 121.335 119.914 -0.089 0.000 2.535 237 V HA 0.064 4.190 4.120 0.009 0.000 0.246 237 V C 2.364 178.424 176.094 -0.057 0.000 1.045 237 V CA 0.971 63.219 62.300 -0.087 0.000 1.058 237 V CB -0.378 31.403 31.823 -0.070 0.000 0.689 237 V HN 0.381 nan 8.190 nan 0.000 0.461 238 L N 0.435 121.620 121.223 -0.063 0.000 2.042 238 L HA -0.148 4.198 4.340 0.009 0.000 0.210 238 L C 2.481 179.344 176.870 -0.012 0.000 1.076 238 L CA 2.238 57.033 54.840 -0.076 0.000 0.749 238 L CB -0.528 41.412 42.059 -0.198 0.000 0.893 238 L HN 0.298 nan 8.230 nan 0.000 0.432 239 S N -0.934 114.783 115.700 0.028 0.000 2.402 239 S HA -0.140 4.335 4.470 0.009 0.000 0.229 239 S C 2.040 176.763 174.600 0.205 0.000 1.021 239 S CA 1.147 59.446 58.200 0.166 0.000 0.974 239 S CB -0.492 62.774 63.200 0.110 0.000 0.800 239 S HN 0.763 nan 8.310 nan 0.000 0.484 240 S N 1.789 117.523 115.700 0.057 0.000 2.371 240 S HA -0.007 4.469 4.470 0.009 0.000 0.224 240 S C 1.952 176.523 174.600 -0.049 0.000 1.029 240 S CA 1.107 59.297 58.200 -0.017 0.000 0.978 240 S CB -0.539 62.611 63.200 -0.084 0.000 0.833 240 S HN 0.353 nan 8.310 nan 0.000 0.466 241 S N 2.104 117.793 115.700 -0.018 0.000 2.345 241 S HA 0.185 4.661 4.470 0.009 0.000 0.219 241 S C 1.802 176.424 174.600 0.036 0.000 1.031 241 S CA 1.137 59.336 58.200 -0.002 0.000 0.984 241 S CB -0.589 62.619 63.200 0.013 0.000 0.874 241 S HN 0.464 nan 8.310 nan 0.000 0.451 242 I N 1.790 122.430 120.570 0.117 0.000 2.399 242 I HA -0.282 3.894 4.170 0.009 0.000 0.254 242 I C 2.481 178.716 176.117 0.197 0.000 1.146 242 I CA 1.064 62.528 61.300 0.274 0.000 1.412 242 I CB -0.376 37.817 38.000 0.322 0.000 1.076 242 I HN 0.282 nan 8.210 nan 0.000 0.432 243 A N 0.264 123.023 122.820 -0.102 0.000 1.930 243 A HA 0.034 4.359 4.320 0.009 0.000 0.215 243 A C 2.487 179.597 177.584 -0.790 0.000 1.176 243 A CA 1.373 53.013 52.037 -0.661 0.000 0.632 243 A CB -0.449 18.079 19.000 -0.787 0.000 0.819 243 A HN 0.407 nan 8.150 nan 0.000 0.445 244 A N -0.828 121.805 122.820 -0.311 0.000 1.903 244 A HA 0.138 4.463 4.320 0.009 0.000 0.213 244 A C 2.142 179.710 177.584 -0.026 0.000 1.185 244 A CA 1.304 53.273 52.037 -0.113 0.000 0.628 244 A CB -0.831 18.159 19.000 -0.018 0.000 0.830 244 A HN 0.304 nan 8.150 nan 0.000 0.446 245 V N 0.176 120.081 119.914 -0.015 0.000 2.392 245 V HA -0.254 3.871 4.120 0.009 0.000 0.249 245 V C 2.363 178.490 176.094 0.055 0.000 1.059 245 V CA 2.295 64.599 62.300 0.008 0.000 1.051 245 V CB -0.929 30.897 31.823 0.006 0.000 0.658 245 V HN 0.799 nan 8.190 nan 0.000 0.455 246 F N -0.793 119.234 119.950 0.129 0.000 2.615 246 F HA 0.049 4.581 4.527 0.009 0.000 0.297 246 F C 1.791 177.750 175.800 0.266 0.000 1.124 246 F CA 0.501 58.581 58.000 0.134 0.000 1.451 246 F CB -1.064 38.112 39.000 0.293 0.000 1.103 246 F HN 0.194 nan 8.300 nan 0.000 0.569 247 F N 1.898 121.864 119.950 0.026 0.000 2.149 247 F HA 0.204 4.736 4.527 0.010 0.000 0.294 247 F C 2.296 178.197 175.800 0.169 0.000 1.095 247 F CA 1.115 59.199 58.000 0.140 0.000 1.276 247 F CB -1.020 37.903 39.000 -0.129 0.000 1.023 247 F HN 0.039 nan 8.300 nan 0.000 0.480 248 A N 1.068 123.806 122.820 -0.138 0.000 1.883 248 A HA -0.106 4.220 4.320 0.009 0.000 0.217 248 A C 2.502 180.018 177.584 -0.112 0.000 1.186 248 A CA 2.363 54.261 52.037 -0.231 0.000 0.624 248 A CB -1.687 17.262 19.000 -0.085 0.000 0.822 248 A HN 0.567 nan 8.150 nan 0.000 0.444 249 A N -0.862 121.952 122.820 -0.011 0.000 1.852 249 A HA -0.147 4.179 4.320 0.009 0.000 0.217 249 A C 1.886 179.486 177.584 0.025 0.000 1.215 249 A CA 1.890 53.929 52.037 0.003 0.000 0.641 249 A CB -1.129 17.824 19.000 -0.078 0.000 0.838 249 A HN 0.497 nan 8.150 nan 0.000 0.450 250 F N -0.152 119.854 119.950 0.095 0.000 2.271 250 F HA -0.173 4.360 4.527 0.010 0.000 0.302 250 F C 2.241 178.047 175.800 0.009 0.000 1.063 250 F CA 1.472 59.518 58.000 0.076 0.000 1.362 250 F CB -0.373 38.720 39.000 0.155 0.000 1.060 250 F HN 0.037 nan 8.300 nan 0.000 0.521 251 V N -0.887 119.071 119.914 0.075 0.000 2.725 251 V HA -0.135 3.991 4.120 0.009 0.000 0.247 251 V C 2.224 178.315 176.094 -0.005 0.000 1.058 251 V CA 1.213 63.492 62.300 -0.035 0.000 1.080 251 V CB -0.432 31.233 31.823 -0.263 0.000 0.713 251 V HN 0.266 nan 8.190 nan 0.000 0.465 252 V N -1.107 118.816 119.914 0.015 0.000 2.719 252 V HA 0.095 4.220 4.120 0.009 0.000 0.252 252 V C 2.417 178.599 176.094 0.147 0.000 1.065 252 V CA 1.500 63.830 62.300 0.050 0.000 1.086 252 V CB -0.941 30.937 31.823 0.091 0.000 0.700 252 V HN 0.332 nan 8.190 nan 0.000 0.467 253 A N 1.516 124.436 122.820 0.168 0.000 1.929 253 A HA 0.153 4.478 4.320 0.009 0.000 0.216 253 A C 2.324 179.981 177.584 0.122 0.000 1.176 253 A CA 1.697 53.849 52.037 0.192 0.000 0.628 253 A CB -1.278 17.793 19.000 0.119 0.000 0.816 253 A HN 0.624 nan 8.150 nan 0.000 0.444 254 G N -0.387 108.472 108.800 0.099 0.000 2.394 254 G HA2 -0.142 3.824 3.960 0.009 0.000 0.215 254 G HA3 -0.142 3.824 3.960 0.009 0.000 0.215 254 G C 1.717 176.655 174.900 0.064 0.000 1.165 254 G CA 1.857 46.989 45.100 0.054 0.000 0.784 254 G HN 0.666 nan 8.290 nan 0.000 0.535 255 T N -1.475 113.112 114.554 0.054 0.000 3.007 255 T HA -0.023 4.333 4.350 0.009 0.000 0.270 255 T C 2.200 176.861 174.700 -0.064 0.000 1.107 255 T CA 1.507 63.608 62.100 0.001 0.000 1.118 255 T CB -0.108 68.715 68.868 -0.075 0.000 0.889 255 T HN 0.140 nan 8.240 nan 0.000 0.506 256 M N -0.253 119.309 119.600 -0.063 0.000 2.287 256 M HA 0.284 4.769 4.480 0.009 0.000 0.266 256 M C 1.920 178.235 176.300 0.025 0.000 1.079 256 M CA 0.691 55.910 55.300 -0.136 0.000 1.146 256 M CB -0.709 31.824 32.600 -0.111 0.000 1.374 256 M HN 0.489 nan 8.290 nan 0.000 0.435 257 W N -0.104 121.101 121.300 -0.159 0.000 2.443 257 W HA -0.109 4.557 4.660 0.009 0.000 0.296 257 W C 0.061 176.543 176.519 -0.062 0.000 1.202 257 W CA 0.785 58.030 57.345 -0.167 0.000 1.312 257 W CB -0.041 29.229 29.460 -0.318 0.000 1.120 257 W HN 0.093 nan 8.180 nan 0.000 0.536 258 Y N -0.102 120.270 120.300 0.119 0.000 2.540 258 Y HA 0.409 4.965 4.550 0.010 0.000 0.371 258 Y C 1.513 177.389 175.900 -0.040 0.000 1.337 258 Y CA -0.424 57.650 58.100 -0.042 0.000 1.590 258 Y CB -0.619 37.786 38.460 -0.093 0.000 1.676 258 Y HN -0.258 nan 8.280 nan 0.000 0.614 259 G N -0.423 108.508 108.800 0.219 0.000 2.489 259 G HA2 0.392 4.357 3.960 0.009 0.000 0.271 259 G HA3 0.392 4.357 3.960 0.009 0.000 0.271 259 G C -0.828 174.143 174.900 0.118 0.000 1.427 259 G CA 0.193 45.450 45.100 0.261 0.000 1.057 259 G HN 0.622 nan 8.290 nan 0.000 0.532 260 S N -3.884 111.914 115.700 0.163 0.000 3.028 260 S HA 0.271 4.746 4.470 0.009 0.000 0.242 260 S C 0.495 175.100 174.600 0.009 0.000 0.628 260 S CA 0.602 58.713 58.200 -0.149 0.000 0.803 260 S CB -0.494 62.605 63.200 -0.168 0.000 1.006 260 S HN 1.953 nan 8.310 nan 0.000 0.611 261 A N 3.388 126.205 122.820 -0.005 0.000 2.248 261 A HA 0.166 4.492 4.320 0.009 0.000 0.210 261 A C 1.704 179.313 177.584 0.041 0.000 1.174 261 A CA 1.891 53.963 52.037 0.059 0.000 0.750 261 A CB -0.596 18.425 19.000 0.036 0.000 0.780 261 A HN 0.913 nan 8.150 nan 0.000 0.478 262 T N -0.815 113.725 114.554 -0.024 0.000 3.060 262 T HA 0.092 4.448 4.350 0.009 0.000 0.249 262 T C 0.436 175.075 174.700 -0.102 0.000 1.079 262 T CA 0.971 63.052 62.100 -0.031 0.000 1.013 262 T CB 0.091 68.919 68.868 -0.066 0.000 0.975 262 T HN 0.329 nan 8.240 nan 0.000 0.518 263 T N 3.827 118.299 114.554 -0.137 0.000 3.444 263 T HA 0.309 4.665 4.350 0.009 0.000 0.265 263 T C -2.743 171.949 174.700 -0.013 0.000 1.537 263 T CA -1.141 60.780 62.100 -0.297 0.000 1.530 263 T CB 0.856 69.477 68.868 -0.412 0.000 0.958 263 T HN 0.067 nan 8.240 nan 0.000 0.684 264 P HA 0.088 nan 4.420 nan 0.000 0.265 264 P C 1.164 178.525 177.300 0.101 0.000 1.187 264 P CA -0.138 63.058 63.100 0.161 0.000 0.766 264 P CB 0.348 32.138 31.700 0.149 0.000 0.820 265 I N -0.490 120.110 120.570 0.050 0.000 3.564 265 I HA 0.078 4.254 4.170 0.009 0.000 0.294 265 I C 0.717 176.785 176.117 -0.082 0.000 1.289 265 I CA 0.857 62.107 61.300 -0.083 0.000 1.325 265 I CB -0.531 37.374 38.000 -0.159 0.000 1.039 265 I HN 0.270 nan 8.210 nan 0.000 0.474 266 E N 0.944 121.180 120.200 0.060 0.000 2.460 266 E HA 0.188 4.543 4.350 0.009 0.000 0.200 266 E C 1.883 178.468 176.600 -0.026 0.000 1.011 266 E CA 0.167 56.686 56.400 0.199 0.000 0.912 266 E CB 0.474 30.422 29.700 0.412 0.000 0.953 266 E HN 0.543 nan 8.360 nan 0.000 0.494 267 L N -0.518 120.500 121.223 -0.343 0.000 2.286 267 L HA 0.209 4.554 4.340 0.009 0.000 0.203 267 L C 0.392 176.876 176.870 -0.643 0.000 1.068 267 L CA 0.372 54.830 54.840 -0.638 0.000 0.811 267 L CB 0.172 41.635 42.059 -0.994 0.000 0.989 267 L HN -0.024 nan 8.230 nan 0.000 0.467 268 F N -0.522 119.275 119.950 -0.255 0.000 2.557 268 F HA 0.614 5.146 4.527 0.010 0.000 0.336 268 F C 1.081 176.572 175.800 -0.515 0.000 1.058 268 F CA -0.959 56.912 58.000 -0.214 0.000 0.988 268 F CB 0.364 39.233 39.000 -0.218 0.000 1.275 268 F HN -0.215 nan 8.300 nan 0.000 0.488 269 G N -0.071 108.508 108.800 -0.368 0.000 2.553 269 G HA2 0.467 4.432 3.960 0.009 0.000 0.278 269 G HA3 0.467 4.432 3.960 0.009 0.000 0.278 269 G C -2.767 171.735 174.900 -0.663 0.000 1.349 269 G CA -1.330 43.147 45.100 -1.039 0.000 1.037 269 G HN 0.299 nan 8.290 nan 0.000 0.508 270 P HA 0.219 nan 4.420 nan 0.000 0.273 270 P C 0.114 177.257 177.300 -0.262 0.000 1.250 270 P CA 0.009 62.913 63.100 -0.327 0.000 0.793 270 P CB 0.653 32.237 31.700 -0.194 0.000 1.011 271 T N 0.302 114.743 114.554 -0.188 0.000 2.922 271 T HA 0.160 4.515 4.350 0.009 0.000 0.285 271 T C 1.437 175.962 174.700 -0.293 0.000 1.005 271 T CA -0.394 61.549 62.100 -0.262 0.000 1.061 271 T CB 0.422 69.198 68.868 -0.153 0.000 1.007 271 T HN 0.379 nan 8.240 nan 0.000 0.502 272 R N 1.338 121.496 120.500 -0.569 0.000 2.235 272 R HA -0.026 4.320 4.340 0.009 0.000 0.213 272 R C 0.854 176.873 176.300 -0.468 0.000 1.059 272 R CA 1.583 57.354 56.100 -0.549 0.000 0.997 272 R CB -0.380 29.462 30.300 -0.763 0.000 0.884 272 R HN 0.614 nan 8.270 nan 0.000 0.462 273 Y N 1.366 121.578 120.300 -0.145 0.000 2.519 273 Y HA 0.111 4.666 4.550 0.009 0.000 0.287 273 Y C 2.013 177.864 175.900 -0.081 0.000 1.128 273 Y CA 0.565 58.614 58.100 -0.086 0.000 1.282 273 Y CB 0.030 38.428 38.460 -0.103 0.000 1.027 273 Y HN 0.131 nan 8.280 nan 0.000 0.551 274 Q N -0.924 118.880 119.800 0.007 0.000 2.297 274 Q HA -0.183 4.163 4.340 0.009 0.000 0.204 274 Q C 1.872 178.007 176.000 0.225 0.000 0.962 274 Q CA 1.052 56.865 55.803 0.016 0.000 0.879 274 Q CB -0.327 28.417 28.738 0.010 0.000 0.947 274 Q HN 0.704 nan 8.270 nan 0.000 0.462 275 W N 1.849 123.171 121.300 0.037 0.000 2.630 275 W HA -0.050 4.616 4.660 0.010 0.000 0.271 275 W C 0.518 177.043 176.519 0.010 0.000 1.244 275 W CA 0.572 57.949 57.345 0.053 0.000 1.353 275 W CB 0.237 29.681 29.460 -0.027 0.000 1.080 275 W HN 0.087 nan 8.180 nan 0.000 0.594 276 D N 0.821 121.222 120.400 0.000 0.000 2.123 276 D HA -0.176 4.470 4.640 0.009 0.000 0.196 276 D C 2.053 178.270 176.300 -0.138 0.000 0.992 276 D CA 2.399 56.347 54.000 -0.088 0.000 0.833 276 D CB -0.569 40.225 40.800 -0.009 0.000 0.954 276 D HN 0.177 nan 8.370 nan 0.000 0.455 277 S N -0.757 114.903 115.700 -0.067 0.000 2.614 277 S HA 0.167 4.643 4.470 0.009 0.000 0.230 277 S C 0.519 175.089 174.600 -0.050 0.000 0.952 277 S CA -0.198 57.971 58.200 -0.051 0.000 0.949 277 S CB 0.312 63.509 63.200 -0.005 0.000 0.786 277 S HN -0.014 nan 8.310 nan 0.000 0.478 278 S N 0.787 116.412 115.700 -0.124 0.000 3.521 278 S HA -0.259 4.216 4.470 0.009 0.000 0.362 278 S C 0.493 175.124 174.600 0.052 0.000 1.044 278 S CA 0.835 58.980 58.200 -0.091 0.000 1.091 278 S CB -2.315 60.805 63.200 -0.134 0.000 0.908 278 S HN 0.801 nan 8.310 nan 0.000 0.473 279 Y N 1.446 121.711 120.300 -0.059 0.000 2.014 279 Y HA -0.268 4.287 4.550 0.009 0.000 0.272 279 Y C 1.640 177.513 175.900 -0.045 0.000 1.164 279 Y CA 2.270 60.300 58.100 -0.118 0.000 1.114 279 Y CB -0.743 37.536 38.460 -0.302 0.000 0.961 279 Y HN 0.390 nan 8.280 nan 0.000 0.489 280 F N 0.740 120.766 119.950 0.127 0.000 2.171 280 F HA -0.244 4.289 4.527 0.010 0.000 0.300 280 F C 2.834 178.620 175.800 -0.023 0.000 1.090 280 F CA 1.969 59.982 58.000 0.023 0.000 1.293 280 F CB -1.100 38.037 39.000 0.229 0.000 1.013 280 F HN 0.241 nan 8.300 nan 0.000 0.486 281 Q N 0.432 120.360 119.800 0.213 0.000 2.096 281 Q HA -0.265 4.080 4.340 0.009 0.000 0.204 281 Q C 2.060 178.078 176.000 0.029 0.000 0.982 281 Q CA 1.857 57.741 55.803 0.136 0.000 0.850 281 Q CB -0.196 28.605 28.738 0.104 0.000 0.901 281 Q HN 0.522 nan 8.270 nan 0.000 0.422 282 Q N 0.253 120.035 119.800 -0.030 0.000 1.975 282 Q HA -0.259 4.087 4.340 0.009 0.000 0.205 282 Q C 2.065 177.983 176.000 -0.136 0.000 0.990 282 Q CA 1.779 57.536 55.803 -0.076 0.000 0.845 282 Q CB -0.221 28.471 28.738 -0.076 0.000 0.913 282 Q HN 0.375 nan 8.270 nan 0.000 0.420 283 E N 0.950 121.008 120.200 -0.238 0.000 2.147 283 E HA -0.217 4.139 4.350 0.009 0.000 0.199 283 E C 1.641 178.072 176.600 -0.282 0.000 1.005 283 E CA 1.391 57.574 56.400 -0.363 0.000 0.810 283 E CB -0.318 28.866 29.700 -0.861 0.000 0.736 283 E HN 0.380 nan 8.360 nan 0.000 0.460 284 I N 0.380 120.837 120.570 -0.189 0.000 2.113 284 I HA -0.307 3.869 4.170 0.009 0.000 0.238 284 I C 2.312 178.293 176.117 -0.226 0.000 1.070 284 I CA 1.298 62.509 61.300 -0.149 0.000 1.332 284 I CB -0.542 37.464 38.000 0.009 0.000 1.044 284 I HN 0.213 nan 8.210 nan 0.000 0.402 285 N N 0.811 119.414 118.700 -0.162 0.000 2.036 285 N HA -0.241 4.504 4.740 0.009 0.000 0.195 285 N C 2.003 177.392 175.510 -0.202 0.000 1.037 285 N CA 1.179 54.115 53.050 -0.190 0.000 0.855 285 N CB -0.517 37.920 38.487 -0.084 0.000 1.033 285 N HN 0.273 nan 8.380 nan 0.000 0.423 286 R N 2.048 122.451 120.500 -0.161 0.000 2.154 286 R HA -0.124 4.222 4.340 0.009 0.000 0.248 286 R C 1.777 177.980 176.300 -0.162 0.000 1.155 286 R CA 1.383 57.398 56.100 -0.142 0.000 0.979 286 R CB -0.219 30.003 30.300 -0.130 0.000 0.869 286 R HN 0.338 nan 8.270 nan 0.000 0.452 287 R N -0.453 119.924 120.500 -0.204 0.000 2.052 287 R HA 0.012 4.357 4.340 0.009 0.000 0.224 287 R C 2.485 178.637 176.300 -0.247 0.000 1.149 287 R CA 1.185 57.165 56.100 -0.200 0.000 0.962 287 R CB -0.524 29.656 30.300 -0.201 0.000 0.856 287 R HN 0.019 nan 8.270 nan 0.000 0.433 288 V N 1.632 121.315 119.914 -0.384 0.000 2.250 288 V HA -0.313 3.813 4.120 0.009 0.000 0.250 288 V C 2.414 178.307 176.094 -0.335 0.000 1.060 288 V CA 2.009 63.994 62.300 -0.525 0.000 1.030 288 V CB -0.538 30.698 31.823 -0.977 0.000 0.643 288 V HN 0.277 nan 8.190 nan 0.000 0.445 289 Q N -0.234 119.413 119.800 -0.256 0.000 2.135 289 Q HA -0.167 4.178 4.340 0.009 0.000 0.204 289 Q C 2.150 178.076 176.000 -0.123 0.000 0.981 289 Q CA 2.168 57.877 55.803 -0.156 0.000 0.856 289 Q CB -0.715 27.953 28.738 -0.117 0.000 0.902 289 Q HN 0.672 nan 8.270 nan 0.000 0.425 290 A N -0.810 121.934 122.820 -0.128 0.000 1.841 290 A HA -0.158 4.168 4.320 0.009 0.000 0.214 290 A C 2.277 179.806 177.584 -0.092 0.000 1.195 290 A CA 1.780 53.760 52.037 -0.095 0.000 0.611 290 A CB -0.943 18.003 19.000 -0.091 0.000 0.835 290 A HN 0.392 nan 8.150 nan 0.000 0.443 291 S N 0.169 115.800 115.700 -0.115 0.000 2.413 291 S HA -0.210 4.265 4.470 0.009 0.000 0.237 291 S C 1.757 176.309 174.600 -0.079 0.000 1.044 291 S CA 1.760 59.902 58.200 -0.097 0.000 1.024 291 S CB -0.599 62.526 63.200 -0.125 0.000 0.829 291 S HN 0.481 nan 8.310 nan 0.000 0.475 292 L N 0.820 121.986 121.223 -0.094 0.000 2.072 292 L HA -0.047 4.299 4.340 0.009 0.000 0.205 292 L C 2.775 179.617 176.870 -0.046 0.000 1.079 292 L CA 1.093 55.893 54.840 -0.067 0.000 0.752 292 L CB -0.697 41.317 42.059 -0.074 0.000 0.906 292 L HN 0.330 nan 8.230 nan 0.000 0.436 293 A N -0.628 122.163 122.820 -0.049 0.000 2.019 293 A HA -0.147 4.179 4.320 0.009 0.000 0.219 293 A C 2.292 179.859 177.584 -0.029 0.000 1.164 293 A CA 1.768 53.784 52.037 -0.035 0.000 0.644 293 A CB -0.442 18.536 19.000 -0.037 0.000 0.805 293 A HN 0.393 nan 8.150 nan 0.000 0.449 294 S N -0.841 114.840 115.700 -0.033 0.000 2.603 294 S HA 0.370 4.846 4.470 0.009 0.000 0.220 294 S C 1.013 175.602 174.600 -0.018 0.000 0.967 294 S CA 0.533 58.718 58.200 -0.025 0.000 0.920 294 S CB -0.355 62.829 63.200 -0.028 0.000 0.773 294 S HN 1.655 nan 8.310 nan 0.000 0.529 295 G N 1.501 110.290 108.800 -0.019 0.000 2.502 295 G HA2 0.087 4.053 3.960 0.009 0.000 0.273 295 G HA3 0.087 4.053 3.960 0.009 0.000 0.273 295 G C -0.292 174.603 174.900 -0.008 0.000 1.021 295 G CA -0.110 44.983 45.100 -0.012 0.000 1.333 295 G HN 0.843 nan 8.290 nan 0.000 0.508 296 A N 1.066 123.880 122.820 -0.010 0.000 2.455 296 A HA 1.117 5.442 4.320 0.009 0.000 0.300 296 A C 0.606 178.196 177.584 0.010 0.000 1.040 296 A CA 0.764 52.801 52.037 -0.000 0.000 0.697 296 A CB 0.997 19.991 19.000 -0.009 0.000 1.265 296 A HN 2.336 nan 8.150 nan 0.000 0.407 297 T N 0.572 115.145 114.554 0.032 0.000 2.906 297 T HA 0.295 4.650 4.350 0.009 0.000 0.329 297 T C 1.204 175.948 174.700 0.073 0.000 1.091 297 T CA 0.657 62.791 62.100 0.056 0.000 1.127 297 T CB 0.016 68.930 68.868 0.076 0.000 1.035 297 T HN 1.342 nan 8.240 nan 0.000 0.547 298 L N 1.581 122.852 121.223 0.081 0.000 2.013 298 L HA -0.107 4.239 4.340 0.009 0.000 0.212 298 L C 2.502 179.520 176.870 0.247 0.000 1.073 298 L CA 2.253 57.129 54.840 0.061 0.000 0.753 298 L CB -0.828 41.156 42.059 -0.124 0.000 0.890 298 L HN 0.885 nan 8.230 nan 0.000 0.432 299 E N -0.351 120.073 120.200 0.372 0.000 2.021 299 E HA -0.298 4.058 4.350 0.009 0.000 0.200 299 E C 1.913 178.676 176.600 0.271 0.000 1.015 299 E CA 1.911 58.559 56.400 0.413 0.000 0.824 299 E CB -0.333 29.520 29.700 0.254 0.000 0.762 299 E HN 0.638 nan 8.360 nan 0.000 0.454 300 E N 0.764 121.063 120.200 0.164 0.000 2.108 300 E HA -0.293 4.063 4.350 0.009 0.000 0.203 300 E C 2.079 178.739 176.600 0.099 0.000 1.022 300 E CA 1.277 57.743 56.400 0.109 0.000 0.823 300 E CB -0.312 29.428 29.700 0.065 0.000 0.744 300 E HN 0.287 nan 8.360 nan 0.000 0.456 301 A N 0.911 123.771 122.820 0.067 0.000 1.851 301 A HA -0.193 4.132 4.320 0.009 0.000 0.216 301 A C 1.895 179.455 177.584 -0.040 0.000 1.195 301 A CA 1.566 53.575 52.037 -0.047 0.000 0.622 301 A CB -1.159 17.743 19.000 -0.163 0.000 0.831 301 A HN 0.394 nan 8.150 nan 0.000 0.444 302 W N 0.457 121.821 121.300 0.106 0.000 2.358 302 W HA -0.098 4.568 4.660 0.009 0.000 0.303 302 W C 2.693 179.367 176.519 0.258 0.000 1.208 302 W CA 1.518 58.984 57.345 0.202 0.000 1.274 302 W CB -0.427 29.188 29.460 0.258 0.000 1.138 302 W HN 0.262 nan 8.180 nan 0.000 0.515 303 S N 0.128 116.073 115.700 0.409 0.000 2.488 303 S HA -0.178 4.298 4.470 0.009 0.000 0.246 303 S C 1.763 176.508 174.600 0.242 0.000 0.992 303 S CA 1.114 59.484 58.200 0.284 0.000 0.963 303 S CB -0.553 62.751 63.200 0.173 0.000 0.754 303 S HN 0.322 nan 8.310 nan 0.000 0.519 304 A N 0.945 123.883 122.820 0.196 0.000 2.030 304 A HA 0.235 4.560 4.320 0.009 0.000 0.215 304 A C 0.812 178.470 177.584 0.124 0.000 1.164 304 A CA 0.106 52.213 52.037 0.116 0.000 0.697 304 A CB -0.104 18.921 19.000 0.042 0.000 0.827 304 A HN 0.355 nan 8.150 nan 0.000 0.457 305 I N 2.805 123.487 120.570 0.187 0.000 2.664 305 I HA 0.052 4.228 4.170 0.009 0.000 0.284 305 I C -1.978 174.207 176.117 0.113 0.000 1.154 305 I CA -1.806 59.571 61.300 0.127 0.000 1.402 305 I CB -0.215 37.899 38.000 0.190 0.000 1.395 305 I HN 0.187 nan 8.210 nan 0.000 0.545 306 P HA 0.046 nan 4.420 nan 0.000 0.267 306 P C 0.565 177.854 177.300 -0.018 0.000 1.200 306 P CA -0.101 63.029 63.100 0.049 0.000 0.772 306 P CB 1.037 32.767 31.700 0.051 0.000 0.855 307 E N 1.916 122.134 120.200 0.030 0.000 2.051 307 E HA -0.222 4.133 4.350 0.009 0.000 0.192 307 E C 1.886 178.473 176.600 -0.021 0.000 0.991 307 E CA 1.386 57.781 56.400 -0.009 0.000 0.799 307 E CB -0.133 29.610 29.700 0.072 0.000 0.748 307 E HN 0.526 nan 8.360 nan 0.000 0.449 308 K N 1.050 121.447 120.400 -0.004 0.000 2.059 308 K HA -0.196 4.130 4.320 0.009 0.000 0.212 308 K C 2.252 178.781 176.600 -0.119 0.000 1.050 308 K CA 1.129 57.389 56.287 -0.046 0.000 0.927 308 K CB -0.201 32.305 32.500 0.009 0.000 0.714 308 K HN 0.095 nan 8.250 nan 0.000 0.447 309 L N -0.015 121.202 121.223 -0.010 0.000 1.994 309 L HA -0.194 4.152 4.340 0.009 0.000 0.208 309 L C 2.396 179.276 176.870 0.017 0.000 1.071 309 L CA 1.545 56.428 54.840 0.071 0.000 0.745 309 L CB -0.502 41.594 42.059 0.062 0.000 0.892 309 L HN 0.341 nan 8.230 nan 0.000 0.431 310 A N -0.305 122.447 122.820 -0.113 0.000 1.892 310 A HA -0.327 3.999 4.320 0.009 0.000 0.218 310 A C 2.114 179.847 177.584 0.249 0.000 1.188 310 A CA 1.949 53.898 52.037 -0.146 0.000 0.631 310 A CB -1.134 17.290 19.000 -0.959 0.000 0.822 310 A HN 0.503 nan 8.150 nan 0.000 0.447 311 F N -0.366 119.660 119.950 0.127 0.000 2.115 311 F HA -0.248 4.285 4.527 0.009 0.000 0.300 311 F C 2.130 177.903 175.800 -0.045 0.000 1.092 311 F CA 1.442 59.394 58.000 -0.080 0.000 1.245 311 F CB -0.877 37.997 39.000 -0.210 0.000 0.995 311 F HN 0.425 nan 8.300 nan 0.000 0.481 312 Y N -1.079 119.149 120.300 -0.120 0.000 2.403 312 Y HA -0.205 4.351 4.550 0.009 0.000 0.291 312 Y C 1.451 177.167 175.900 -0.307 0.000 1.143 312 Y CA 0.713 58.492 58.100 -0.535 0.000 1.257 312 Y CB -0.289 37.245 38.460 -1.543 0.000 0.984 312 Y HN -0.050 nan 8.280 nan 0.000 0.550 313 D N -0.393 120.104 120.400 0.161 0.000 2.870 313 D HA -0.037 4.609 4.640 0.009 0.000 0.241 313 D C -1.292 175.358 176.300 0.584 0.000 1.234 313 D CA 0.029 54.284 54.000 0.425 0.000 0.844 313 D CB -0.767 40.279 40.800 0.410 0.000 1.051 313 D HN 0.173 nan 8.370 nan 0.000 0.469 314 Y N 0.083 120.524 120.300 0.236 0.000 2.346 314 Y HA 0.286 4.841 4.550 0.009 0.000 0.332 314 Y C 0.577 176.348 175.900 -0.216 0.000 0.985 314 Y CA -1.376 56.808 58.100 0.139 0.000 1.112 314 Y CB 0.730 39.189 38.460 -0.001 0.000 1.170 314 Y HN -0.039 nan 8.280 nan 0.000 0.447 315 I N 3.951 124.001 120.570 -0.866 0.000 2.479 315 I HA -0.230 3.946 4.170 0.009 0.000 0.258 315 I C 1.933 177.156 176.117 -1.491 0.000 1.165 315 I CA 2.177 62.542 61.300 -1.559 0.000 1.422 315 I CB -0.103 37.041 38.000 -1.426 0.000 1.087 315 I HN 1.018 nan 8.210 nan 0.000 0.441 316 G N 0.140 107.713 108.800 -2.046 0.000 2.535 316 G HA2 -0.210 3.756 3.960 0.009 0.000 0.218 316 G HA3 -0.210 3.756 3.960 0.009 0.000 0.218 316 G C 1.119 175.534 174.900 -0.809 0.000 1.122 316 G CA 0.415 44.542 45.100 -1.622 0.000 0.769 316 G HN 0.397 nan 8.290 nan 0.000 0.549 317 N N 0.422 118.708 118.700 -0.690 0.000 2.214 317 N HA 0.029 4.774 4.740 0.009 0.000 0.214 317 N C -0.247 175.081 175.510 -0.304 0.000 1.132 317 N CA -0.209 52.686 53.050 -0.259 0.000 0.856 317 N CB 0.304 38.736 38.487 -0.090 0.000 1.020 317 N HN 0.115 nan 8.380 nan 0.000 0.509 318 N N 2.006 120.405 118.700 -0.502 0.000 2.408 318 N HA 0.174 4.920 4.740 0.009 0.000 0.257 318 N C -1.836 173.469 175.510 -0.342 0.000 1.064 318 N CA -1.752 51.027 53.050 -0.451 0.000 0.952 318 N CB 1.537 39.626 38.487 -0.663 0.000 1.093 318 N HN -0.075 nan 8.380 nan 0.000 0.490 319 P HA -0.079 nan 4.420 nan 0.000 0.223 319 P C 0.548 177.827 177.300 -0.035 0.000 1.144 319 P CA 0.903 63.922 63.100 -0.136 0.000 0.783 319 P CB 0.276 31.860 31.700 -0.194 0.000 0.771 320 A N -1.356 121.402 122.820 -0.104 0.000 2.014 320 A HA -0.083 4.243 4.320 0.009 0.000 0.218 320 A C 1.398 178.931 177.584 -0.085 0.000 1.163 320 A CA 1.090 53.131 52.037 0.007 0.000 0.652 320 A CB -0.480 18.509 19.000 -0.020 0.000 0.808 320 A HN 0.050 nan 8.150 nan 0.000 0.449 321 K N -0.859 119.409 120.400 -0.220 0.000 2.233 321 K HA 0.469 4.795 4.320 0.009 0.000 0.239 321 K C 0.718 177.226 176.600 -0.153 0.000 1.064 321 K CA 0.710 56.855 56.287 -0.237 0.000 0.884 321 K CB -0.595 31.594 32.500 -0.518 0.000 1.166 321 K HN 0.845 nan 8.250 nan 0.000 0.512 322 G N -1.638 107.115 108.800 -0.077 0.000 2.592 322 G HA2 0.237 4.202 3.960 0.009 0.000 0.684 322 G HA3 0.237 4.202 3.960 0.009 0.000 0.684 322 G C -0.470 174.357 174.900 -0.123 0.000 1.291 322 G CA -0.537 44.514 45.100 -0.083 0.000 0.891 322 G HN 0.792 nan 8.290 nan 0.000 0.544 323 G N -1.882 106.825 108.800 -0.154 0.000 2.704 323 G HA2 0.686 4.652 3.960 0.009 0.000 0.293 323 G HA3 0.686 4.652 3.960 0.009 0.000 0.293 323 G C 0.675 175.416 174.900 -0.265 0.000 1.421 323 G CA 0.314 45.311 45.100 -0.172 0.000 0.870 323 G HN 1.756 nan 8.290 nan 0.000 0.492 324 L N 0.164 121.183 121.223 -0.341 0.000 2.083 324 L HA 0.244 4.589 4.340 0.009 0.000 0.209 324 L C 1.592 178.154 176.870 -0.514 0.000 1.083 324 L CA 1.953 56.458 54.840 -0.559 0.000 0.752 324 L CB -0.512 41.139 42.059 -0.679 0.000 0.899 324 L HN 0.502 nan 8.230 nan 0.000 0.433 325 F N -0.779 119.184 119.950 0.023 0.000 2.653 325 F HA 0.313 4.845 4.527 0.009 0.000 0.304 325 F C 0.911 176.755 175.800 0.074 0.000 1.092 325 F CA -0.359 57.678 58.000 0.061 0.000 1.279 325 F CB -0.024 38.987 39.000 0.018 0.000 1.044 325 F HN -0.223 nan 8.300 nan 0.000 0.564 326 R N 1.796 122.403 120.500 0.178 0.000 3.268 326 R HA 0.119 4.465 4.340 0.009 0.000 0.217 326 R C 0.391 176.814 176.300 0.205 0.000 1.568 326 R CA -0.137 56.051 56.100 0.148 0.000 1.322 326 R CB -0.413 29.940 30.300 0.088 0.000 1.280 326 R HN 0.133 nan 8.270 nan 0.000 0.667 327 T N -1.081 113.574 114.554 0.169 0.000 2.860 327 T HA 0.529 4.884 4.350 0.009 0.000 0.299 327 T C 0.910 175.664 174.700 0.090 0.000 1.045 327 T CA 0.001 62.170 62.100 0.115 0.000 1.071 327 T CB 1.569 70.473 68.868 0.061 0.000 0.985 327 T HN 0.673 nan 8.240 nan 0.000 0.537 328 G N 1.571 110.397 108.800 0.044 0.000 2.631 328 G HA2 0.100 4.066 3.960 0.009 0.000 0.504 328 G HA3 0.100 4.066 3.960 0.009 0.000 0.504 328 G C -3.004 171.954 174.900 0.096 0.000 1.306 328 G CA -0.593 44.538 45.100 0.051 0.000 0.897 328 G HN 0.864 nan 8.290 nan 0.000 0.520 329 P HA 0.332 nan 4.420 nan 0.000 0.276 329 P C 1.233 178.595 177.300 0.104 0.000 1.252 329 P CA -0.460 62.704 63.100 0.107 0.000 0.802 329 P CB 0.534 32.273 31.700 0.064 0.000 1.035 330 M N 0.371 120.043 119.600 0.120 0.000 2.358 330 M HA -0.135 4.351 4.480 0.009 0.000 0.264 330 M C 1.200 177.521 176.300 0.034 0.000 1.064 330 M CA 1.436 56.794 55.300 0.096 0.000 1.093 330 M CB -0.759 31.914 32.600 0.121 0.000 1.401 330 M HN 0.312 nan 8.290 nan 0.000 0.440 331 N N 0.523 119.235 118.700 0.019 0.000 2.550 331 N HA -0.098 4.648 4.740 0.009 0.000 0.186 331 N C 1.479 176.971 175.510 -0.030 0.000 1.110 331 N CA 0.897 53.940 53.050 -0.012 0.000 0.912 331 N CB -0.134 38.345 38.487 -0.013 0.000 0.968 331 N HN 0.277 nan 8.380 nan 0.000 0.448 332 K N 0.793 121.184 120.400 -0.014 0.000 2.365 332 K HA 0.110 4.436 4.320 0.009 0.000 0.197 332 K C 1.516 178.084 176.600 -0.053 0.000 1.042 332 K CA 0.330 56.603 56.287 -0.022 0.000 0.987 332 K CB -0.186 32.316 32.500 0.003 0.000 0.779 332 K HN 0.086 nan 8.250 nan 0.000 0.484 333 G N 0.883 109.642 108.800 -0.068 0.000 2.561 333 G HA2 -0.167 3.798 3.960 0.009 0.000 0.208 333 G HA3 -0.167 3.798 3.960 0.009 0.000 0.208 333 G C 0.714 175.471 174.900 -0.239 0.000 1.510 333 G CA 0.615 45.634 45.100 -0.135 0.000 0.941 333 G HN 0.490 nan 8.290 nan 0.000 0.478 334 D N -0.093 120.103 120.400 -0.341 0.000 2.363 334 D HA 0.341 4.987 4.640 0.009 0.000 0.220 334 D C 1.220 177.177 176.300 -0.571 0.000 0.994 334 D CA 0.888 54.564 54.000 -0.540 0.000 0.890 334 D CB -0.096 40.261 40.800 -0.738 0.000 0.906 334 D HN 0.936 nan 8.370 nan 0.000 0.530 335 G N -0.314 108.299 108.800 -0.310 0.000 2.525 335 G HA2 -0.103 3.863 3.960 0.009 0.000 0.685 335 G HA3 -0.103 3.863 3.960 0.009 0.000 0.685 335 G C -0.971 173.953 174.900 0.039 0.000 1.290 335 G CA -0.556 44.481 45.100 -0.105 0.000 0.915 335 G HN 0.219 nan 8.290 nan 0.000 0.548 336 I N 1.793 122.442 120.570 0.131 0.000 2.322 336 I HA 0.470 4.646 4.170 0.009 0.000 0.292 336 I C 1.319 177.591 176.117 0.258 0.000 1.060 336 I CA -0.083 61.300 61.300 0.138 0.000 1.309 336 I CB 1.060 39.079 38.000 0.031 0.000 1.415 336 I HN 0.947 nan 8.210 nan 0.000 0.492 337 A N 6.956 129.973 122.820 0.328 0.000 2.561 337 A HA 0.023 4.349 4.320 0.009 0.000 0.251 337 A C 0.984 178.517 177.584 -0.084 0.000 1.062 337 A CA 0.238 52.342 52.037 0.111 0.000 0.761 337 A CB 0.256 19.167 19.000 -0.147 0.000 0.986 337 A HN 0.794 nan 8.150 nan 0.000 0.510 338 Q N 0.769 120.502 119.800 -0.112 0.000 2.462 338 Q HA 0.421 4.767 4.340 0.009 0.000 0.224 338 Q C 0.441 176.378 176.000 -0.106 0.000 0.911 338 Q CA 1.387 57.130 55.803 -0.099 0.000 0.925 338 Q CB 0.538 29.233 28.738 -0.073 0.000 1.063 338 Q HN 1.161 nan 8.270 nan 0.000 0.572 339 A N -0.324 122.435 122.820 -0.103 0.000 2.583 339 A HA 0.363 4.689 4.320 0.009 0.000 0.292 339 A C -2.261 175.241 177.584 -0.136 0.000 1.045 339 A CA -0.734 51.254 52.037 -0.081 0.000 0.672 339 A CB 0.139 19.080 19.000 -0.098 0.000 1.283 339 A HN 0.186 nan 8.150 nan 0.000 0.419 340 W N 2.617 123.647 121.300 -0.449 0.000 2.388 340 W HA 0.520 5.186 4.660 0.009 0.000 0.308 340 W C 0.424 176.647 176.519 -0.493 0.000 1.263 340 W CA -0.598 56.250 57.345 -0.829 0.000 1.286 340 W CB 0.991 30.034 29.460 -0.695 0.000 1.294 340 W HN 0.727 nan 8.180 nan 0.000 0.493 341 K N 4.725 124.766 120.400 -0.599 0.000 2.555 341 K HA 0.247 4.573 4.320 0.009 0.000 0.193 341 K C 0.923 176.955 176.600 -0.947 0.000 1.032 341 K CA 0.825 56.719 56.287 -0.655 0.000 1.004 341 K CB -0.351 31.845 32.500 -0.508 0.000 0.804 341 K HN 0.740 nan 8.250 nan 0.000 0.496 342 G N 0.696 108.550 108.800 -1.577 0.000 2.663 342 G HA2 -0.236 3.729 3.960 0.009 0.000 0.686 342 G HA3 -0.236 3.729 3.960 0.009 0.000 0.686 342 G C -1.373 173.229 174.900 -0.496 0.000 1.288 342 G CA -0.880 43.326 45.100 -1.490 0.000 0.836 342 G HN 0.369 nan 8.290 nan 0.000 0.584 343 H N 0.538 119.367 119.070 -0.400 0.000 2.646 343 H HA 0.575 5.137 4.556 0.009 0.000 0.325 343 H C 0.415 175.567 175.328 -0.293 0.000 1.075 343 H CA 0.379 56.264 56.048 -0.271 0.000 1.421 343 H CB 1.148 30.227 29.762 -1.138 0.000 1.461 343 H HN 1.119 nan 8.280 nan 0.000 0.525 344 A N 6.068 128.337 122.820 -0.919 0.000 2.258 344 A HA 0.397 4.723 4.320 0.009 0.000 0.316 344 A C -0.303 176.650 177.584 -1.052 0.000 1.279 344 A CA -0.654 50.657 52.037 -1.210 0.000 0.876 344 A CB 0.299 18.597 19.000 -1.170 0.000 1.170 344 A HN 0.557 nan 8.150 nan 0.000 0.520 345 V N 0.291 119.710 119.914 -0.825 0.000 2.472 345 V HA 0.829 4.955 4.120 0.009 0.000 0.290 345 V C -0.945 174.792 176.094 -0.595 0.000 1.037 345 V CA -0.734 61.301 62.300 -0.441 0.000 0.908 345 V CB 0.726 32.471 31.823 -0.130 0.000 0.985 345 V HN 0.556 nan 8.190 nan 0.000 0.454 346 F N 4.032 123.819 119.950 -0.271 0.000 2.375 346 F HA 0.708 5.240 4.527 0.009 0.000 0.361 346 F C 0.675 176.323 175.800 -0.252 0.000 1.117 346 F CA -0.505 57.347 58.000 -0.247 0.000 1.037 346 F CB 1.680 40.551 39.000 -0.214 0.000 1.192 346 F HN 0.466 nan 8.300 nan 0.000 0.452 347 R N 2.200 122.653 120.500 -0.078 0.000 2.668 347 R HA 0.432 4.778 4.340 0.009 0.000 0.279 347 R C -0.165 176.078 176.300 -0.096 0.000 0.976 347 R CA -1.098 54.944 56.100 -0.096 0.000 0.978 347 R CB 1.395 31.643 30.300 -0.087 0.000 1.133 347 R HN 0.636 nan 8.270 nan 0.000 0.484 348 N N 0.823 119.465 118.700 -0.097 0.000 2.593 348 N HA 0.058 4.804 4.740 0.009 0.000 0.304 348 N C 0.477 175.946 175.510 -0.068 0.000 1.296 348 N CA -0.581 52.410 53.050 -0.099 0.000 0.950 348 N CB 0.405 38.836 38.487 -0.093 0.000 1.127 348 N HN 0.429 nan 8.380 nan 0.000 0.587 349 K N -0.636 119.730 120.400 -0.057 0.000 2.147 349 K HA -0.105 4.220 4.320 0.009 0.000 0.205 349 K C 0.691 177.271 176.600 -0.035 0.000 1.049 349 K CA 1.375 57.638 56.287 -0.040 0.000 0.936 349 K CB 0.038 32.518 32.500 -0.033 0.000 0.722 349 K HN 0.405 nan 8.250 nan 0.000 0.446 350 E N -0.973 119.206 120.200 -0.036 0.000 2.482 350 E HA 0.046 4.401 4.350 0.009 0.000 0.196 350 E C 1.060 177.644 176.600 -0.027 0.000 1.047 350 E CA 0.786 57.170 56.400 -0.027 0.000 0.869 350 E CB 0.289 29.975 29.700 -0.024 0.000 0.836 350 E HN 0.536 nan 8.360 nan 0.000 0.520 351 G N 0.546 109.325 108.800 -0.035 0.000 2.217 351 G HA2 -0.328 3.637 3.960 0.009 0.000 0.246 351 G HA3 -0.328 3.637 3.960 0.009 0.000 0.246 351 G C 0.049 174.925 174.900 -0.039 0.000 0.990 351 G CA 0.140 45.220 45.100 -0.034 0.000 0.627 351 G HN 0.375 nan 8.290 nan 0.000 0.522 352 E N 1.086 121.262 120.200 -0.039 0.000 2.442 352 E HA 0.277 4.633 4.350 0.009 0.000 0.262 352 E C 0.281 176.831 176.600 -0.083 0.000 1.004 352 E CA 0.274 56.650 56.400 -0.041 0.000 0.928 352 E CB 0.663 30.346 29.700 -0.028 0.000 0.937 352 E HN 0.494 nan 8.360 nan 0.000 0.446 353 E N 3.003 123.135 120.200 -0.113 0.000 2.167 353 E HA 0.145 4.501 4.350 0.009 0.000 0.284 353 E C -1.002 175.330 176.600 -0.446 0.000 1.016 353 E CA -0.701 55.549 56.400 -0.250 0.000 0.817 353 E CB 0.535 30.088 29.700 -0.246 0.000 1.080 353 E HN 0.175 nan 8.360 nan 0.000 0.397 354 L N 4.039 125.003 121.223 -0.432 0.000 2.400 354 L HA 0.518 4.863 4.340 0.009 0.000 0.264 354 L C -0.623 175.835 176.870 -0.687 0.000 1.061 354 L CA -0.225 54.380 54.840 -0.393 0.000 0.799 354 L CB 0.532 42.489 42.059 -0.171 0.000 1.240 354 L HN 0.512 nan 8.230 nan 0.000 0.461 355 F N -0.590 119.399 119.950 0.066 0.000 2.561 355 F HA 0.484 5.016 4.527 0.009 0.000 0.313 355 F C -0.261 175.556 175.800 0.028 0.000 1.126 355 F CA -1.030 57.021 58.000 0.085 0.000 0.918 355 F CB 1.559 40.615 39.000 0.093 0.000 1.199 355 F HN -0.057 nan 8.300 nan 0.000 0.444 356 V N 2.845 122.870 119.914 0.185 0.000 2.555 356 V HA 0.314 4.439 4.120 0.009 0.000 0.286 356 V C 0.293 176.480 176.094 0.155 0.000 1.044 356 V CA -0.594 61.752 62.300 0.077 0.000 1.026 356 V CB 0.871 32.689 31.823 -0.007 0.000 0.981 356 V HN 0.591 nan 8.190 nan 0.000 0.480 357 R N 5.185 125.775 120.500 0.150 0.000 2.370 357 R HA 0.203 4.548 4.340 0.009 0.000 0.309 357 R C 0.262 176.689 176.300 0.212 0.000 1.059 357 R CA 0.258 56.467 56.100 0.182 0.000 0.981 357 R CB -0.041 30.393 30.300 0.224 0.000 0.972 357 R HN 0.682 nan 8.270 nan 0.000 0.437 358 R N 3.420 123.986 120.500 0.110 0.000 2.707 358 R HA 0.131 4.477 4.340 0.009 0.000 0.270 358 R C 0.272 176.484 176.300 -0.147 0.000 1.083 358 R CA -0.362 55.797 56.100 0.099 0.000 1.182 358 R CB 0.507 30.854 30.300 0.079 0.000 1.084 358 R HN 0.584 nan 8.270 nan 0.000 0.528 359 M N 3.005 122.599 119.600 -0.009 0.000 2.120 359 M HA 0.244 4.729 4.480 0.009 0.000 0.354 359 M C -2.252 174.040 176.300 -0.013 0.000 1.287 359 M CA -1.727 53.383 55.300 -0.316 0.000 1.103 359 M CB 1.201 33.856 32.600 0.090 0.000 1.623 359 M HN 0.141 nan 8.290 nan 0.000 0.471 360 P HA 0.157 nan 4.420 nan 0.000 0.276 360 P C -1.095 176.395 177.300 0.316 0.000 1.253 360 P CA -0.186 62.999 63.100 0.142 0.000 0.766 360 P CB 0.763 32.547 31.700 0.140 0.000 0.845 361 A N 4.002 127.001 122.820 0.299 0.000 2.512 361 A HA 0.177 4.503 4.320 0.009 0.000 0.278 361 A C 0.279 178.078 177.584 0.360 0.000 1.128 361 A CA 0.841 52.968 52.037 0.150 0.000 0.818 361 A CB -1.648 17.360 19.000 0.013 0.000 1.044 361 A HN 0.778 nan 8.150 nan 0.000 0.526 362 F N 0.254 120.262 119.950 0.097 0.000 1.791 362 F HA 0.050 4.582 4.527 0.009 0.000 0.438 362 F C -0.342 175.430 175.800 -0.047 0.000 0.952 362 F CA -0.684 57.321 58.000 0.007 0.000 0.909 362 F CB 0.060 39.057 39.000 -0.006 0.000 1.428 362 F HN 0.443 nan 8.300 nan 0.000 0.386 363 F N 3.134 123.221 119.950 0.229 0.000 2.424 363 F HA 0.228 4.761 4.527 0.009 0.000 0.356 363 F C 1.391 177.291 175.800 0.167 0.000 1.110 363 F CA -0.203 57.913 58.000 0.195 0.000 1.161 363 F CB 0.815 39.985 39.000 0.283 0.000 1.115 363 F HN -0.073 nan 8.300 nan 0.000 0.507 364 E N 1.206 121.560 120.200 0.256 0.000 2.072 364 E HA -0.100 4.256 4.350 0.009 0.000 0.191 364 E C 0.615 177.398 176.600 0.305 0.000 0.985 364 E CA 0.902 57.434 56.400 0.220 0.000 0.801 364 E CB 0.034 29.812 29.700 0.131 0.000 0.750 364 E HN 0.526 nan 8.360 nan 0.000 0.452 365 S N -0.702 115.204 115.700 0.343 0.000 2.542 365 S HA 0.618 5.094 4.470 0.009 0.000 0.293 365 S C -0.866 174.005 174.600 0.452 0.000 1.089 365 S CA -0.917 57.492 58.200 0.348 0.000 0.961 365 S CB 1.952 65.296 63.200 0.239 0.000 1.062 365 S HN 0.054 nan 8.310 nan 0.000 0.483 366 F N 2.506 122.555 119.950 0.164 0.000 2.601 366 F HA 0.719 5.252 4.527 0.010 0.000 0.309 366 F C -2.489 173.318 175.800 0.012 0.000 1.089 366 F CA -1.617 56.412 58.000 0.048 0.000 0.940 366 F CB 1.908 40.902 39.000 -0.009 0.000 1.273 366 F HN 0.620 nan 8.300 nan 0.000 0.450 367 P HA 0.246 nan 4.420 nan 0.000 0.276 367 P C -1.223 175.885 177.300 -0.319 0.000 1.244 367 P CA -0.330 62.534 63.100 -0.393 0.000 0.801 367 P CB 1.977 33.404 31.700 -0.454 0.000 1.006 368 V N 3.749 123.572 119.914 -0.152 0.000 2.288 368 V HA 0.268 4.394 4.120 0.009 0.000 0.266 368 V C -0.300 175.763 176.094 -0.053 0.000 1.048 368 V CA -0.707 61.550 62.300 -0.071 0.000 0.842 368 V CB -0.652 31.125 31.823 -0.077 0.000 1.064 368 V HN 0.273 nan 8.190 nan 0.000 0.472 369 I N 7.016 127.560 120.570 -0.044 0.000 2.437 369 I HA 0.453 4.628 4.170 0.009 0.000 0.298 369 I C -0.220 175.911 176.117 0.023 0.000 0.984 369 I CA -0.568 60.716 61.300 -0.027 0.000 1.214 369 I CB 1.788 39.751 38.000 -0.062 0.000 1.365 369 I HN 0.406 nan 8.210 nan 0.000 0.469 370 L N 5.504 126.745 121.223 0.031 0.000 2.349 370 L HA 0.490 4.835 4.340 0.009 0.000 0.278 370 L C 0.058 176.954 176.870 0.044 0.000 0.996 370 L CA -0.370 54.481 54.840 0.019 0.000 0.825 370 L CB 2.046 44.077 42.059 -0.047 0.000 1.243 370 L HN 0.704 nan 8.230 nan 0.000 0.412 371 T N -2.480 112.130 114.554 0.093 0.000 2.916 371 T HA 0.470 4.826 4.350 0.009 0.000 0.292 371 T C -0.364 174.447 174.700 0.184 0.000 1.064 371 T CA -0.953 61.218 62.100 0.118 0.000 1.011 371 T CB 2.422 71.360 68.868 0.117 0.000 1.152 371 T HN 0.540 nan 8.240 nan 0.000 0.510 372 D N 0.926 121.424 120.400 0.163 0.000 2.315 372 D HA 0.186 4.831 4.640 0.009 0.000 0.275 372 D C 1.286 177.795 176.300 0.348 0.000 1.218 372 D CA -0.436 53.683 54.000 0.197 0.000 1.040 372 D CB 0.334 41.206 40.800 0.120 0.000 1.123 372 D HN 0.386 nan 8.370 nan 0.000 0.541 373 K N -0.171 120.410 120.400 0.302 0.000 2.020 373 K HA -0.101 4.224 4.320 0.009 0.000 0.212 373 K C 1.207 177.877 176.600 0.118 0.000 1.050 373 K CA 1.211 57.650 56.287 0.253 0.000 0.929 373 K CB -0.916 31.690 32.500 0.176 0.000 0.714 373 K HN 0.499 nan 8.250 nan 0.000 0.443 374 N N 0.625 119.383 118.700 0.096 0.000 2.346 374 N HA 0.084 4.829 4.740 0.009 0.000 0.225 374 N C 0.456 176.001 175.510 0.059 0.000 1.144 374 N CA 0.677 53.762 53.050 0.058 0.000 0.837 374 N CB 0.507 39.023 38.487 0.049 0.000 1.069 374 N HN 0.392 nan 8.380 nan 0.000 0.487 375 G N 0.322 109.170 108.800 0.081 0.000 2.249 375 G HA2 -0.279 3.687 3.960 0.009 0.000 0.273 375 G HA3 -0.279 3.687 3.960 0.009 0.000 0.273 375 G C 0.006 174.948 174.900 0.070 0.000 1.036 375 G CA 0.117 45.262 45.100 0.075 0.000 0.824 375 G HN 0.243 nan 8.290 nan 0.000 0.504 376 V N 0.473 120.437 119.914 0.084 0.000 2.530 376 V HA 0.379 4.505 4.120 0.009 0.000 0.282 376 V C 1.251 177.399 176.094 0.090 0.000 1.048 376 V CA -0.716 61.633 62.300 0.081 0.000 0.997 376 V CB 1.709 33.584 31.823 0.087 0.000 0.987 376 V HN 0.328 nan 8.190 nan 0.000 0.477 377 V N 6.236 126.193 119.914 0.071 0.000 2.450 377 V HA 0.132 4.258 4.120 0.009 0.000 0.281 377 V C 1.065 177.289 176.094 0.216 0.000 1.019 377 V CA 0.100 62.420 62.300 0.033 0.000 1.062 377 V CB 0.214 31.931 31.823 -0.177 0.000 0.979 377 V HN 0.881 nan 8.190 nan 0.000 0.477 378 K N 2.959 123.478 120.400 0.197 0.000 2.387 378 K HA 0.536 4.862 4.320 0.009 0.000 0.197 378 K C 0.408 177.186 176.600 0.297 0.000 1.127 378 K CA 0.883 57.315 56.287 0.241 0.000 0.950 378 K CB 1.261 33.815 32.500 0.091 0.000 1.017 378 K HN 0.746 nan 8.250 nan 0.000 0.519 379 A N 1.744 124.685 122.820 0.202 0.000 2.602 379 A HA 0.630 4.956 4.320 0.009 0.000 0.290 379 A C -1.767 175.946 177.584 0.215 0.000 1.114 379 A CA -0.378 51.772 52.037 0.188 0.000 0.683 379 A CB 1.594 20.541 19.000 -0.089 0.000 1.281 379 A HN 0.216 nan 8.150 nan 0.000 0.416 380 D N -1.341 119.287 120.400 0.379 0.000 2.804 380 D HA 0.332 4.978 4.640 0.009 0.000 0.309 380 D C -1.474 174.949 176.300 0.204 0.000 1.311 380 D CA -0.396 53.772 54.000 0.281 0.000 0.765 380 D CB 0.039 40.871 40.800 0.053 0.000 1.293 380 D HN 0.522 nan 8.370 nan 0.000 0.434 381 I N 1.017 121.574 120.570 -0.022 0.000 2.355 381 I HA 0.386 4.562 4.170 0.009 0.000 0.288 381 I C -1.949 174.148 176.117 -0.033 0.000 0.999 381 I CA -1.762 59.457 61.300 -0.136 0.000 1.163 381 I CB 1.657 39.500 38.000 -0.262 0.000 1.316 381 I HN 0.278 nan 8.210 nan 0.000 0.454 382 P HA 0.113 nan 4.420 nan 0.000 0.275 382 P C -0.144 177.203 177.300 0.079 0.000 1.266 382 P CA -0.002 63.130 63.100 0.055 0.000 0.793 382 P CB 1.499 33.235 31.700 0.060 0.000 1.074 383 F N -0.391 119.543 119.950 -0.026 0.000 2.549 383 F HA 0.299 4.832 4.527 0.009 0.000 0.275 383 F C 1.236 177.028 175.800 -0.012 0.000 0.990 383 F CA 0.133 58.118 58.000 -0.025 0.000 1.274 383 F CB 0.657 39.641 39.000 -0.026 0.000 1.064 383 F HN 0.057 nan 8.300 nan 0.000 0.715 384 R N 1.183 121.805 120.500 0.203 0.000 2.287 384 R HA 0.224 4.570 4.340 0.009 0.000 0.316 384 R C 0.655 176.992 176.300 0.062 0.000 1.050 384 R CA -0.472 55.698 56.100 0.116 0.000 0.983 384 R CB 1.011 31.400 30.300 0.147 0.000 1.140 384 R HN 0.024 nan 8.270 nan 0.000 0.528 385 R N 1.574 122.085 120.500 0.019 0.000 2.159 385 R HA -0.112 4.234 4.340 0.009 0.000 0.237 385 R C 1.972 178.290 176.300 0.031 0.000 1.131 385 R CA 1.424 57.537 56.100 0.021 0.000 0.982 385 R CB -0.443 29.856 30.300 -0.001 0.000 0.868 385 R HN 0.675 nan 8.270 nan 0.000 0.453 386 A N 0.605 123.443 122.820 0.030 0.000 2.023 386 A HA -0.246 4.079 4.320 0.009 0.000 0.223 386 A C 0.966 178.571 177.584 0.036 0.000 1.180 386 A CA 2.064 54.119 52.037 0.030 0.000 0.659 386 A CB -0.189 18.830 19.000 0.032 0.000 0.817 386 A HN 0.442 nan 8.150 nan 0.000 0.466 387 E N -0.629 119.600 120.200 0.048 0.000 3.521 387 E HA 0.178 4.534 4.350 0.009 0.000 0.183 387 E C -0.844 175.799 176.600 0.073 0.000 0.981 387 E CA -0.242 56.190 56.400 0.053 0.000 1.349 387 E CB 0.973 30.704 29.700 0.052 0.000 1.102 387 E HN 0.366 nan 8.360 nan 0.000 0.449 388 S N 0.921 116.666 115.700 0.076 0.000 2.549 388 S HA 0.088 4.564 4.470 0.009 0.000 0.286 388 S C 0.954 175.620 174.600 0.111 0.000 1.314 388 S CA 0.189 58.454 58.200 0.108 0.000 1.062 388 S CB 1.223 64.480 63.200 0.095 0.000 0.865 388 S HN 0.268 nan 8.310 nan 0.000 0.498 389 K N 0.929 121.440 120.400 0.186 0.000 2.424 389 K HA 0.137 4.463 4.320 0.009 0.000 0.198 389 K C 0.051 176.640 176.600 -0.020 0.000 1.190 389 K CA 0.409 56.733 56.287 0.062 0.000 0.935 389 K CB 0.255 32.781 32.500 0.043 0.000 1.087 389 K HN 0.593 nan 8.250 nan 0.000 0.524 390 Y N 1.526 121.857 120.300 0.051 0.000 2.531 390 Y HA 0.171 4.726 4.550 0.009 0.000 0.249 390 Y C 0.555 176.524 175.900 0.114 0.000 1.168 390 Y CA -1.067 57.071 58.100 0.063 0.000 1.226 390 Y CB -0.051 38.444 38.460 0.058 0.000 1.177 390 Y HN -0.114 nan 8.280 nan 0.000 0.527 391 S N 0.298 116.153 115.700 0.258 0.000 2.554 391 S HA -0.053 4.423 4.470 0.009 0.000 0.290 391 S C 0.107 174.905 174.600 0.330 0.000 1.309 391 S CA -0.561 57.789 58.200 0.250 0.000 1.047 391 S CB 0.225 63.514 63.200 0.148 0.000 0.828 391 S HN 0.104 nan 8.310 nan 0.000 0.509 392 F N 2.257 122.237 119.950 0.051 0.000 2.527 392 F HA 0.249 4.782 4.527 0.009 0.000 0.316 392 F C 1.877 177.701 175.800 0.039 0.000 1.258 392 F CA 0.084 58.112 58.000 0.047 0.000 1.314 392 F CB -0.697 38.332 39.000 0.048 0.000 1.200 392 F HN 0.998 nan 8.300 nan 0.000 0.577 393 E N -1.585 118.742 120.200 0.211 0.000 4.458 393 E HA -0.394 3.962 4.350 0.009 0.000 0.172 393 E C 1.582 178.227 176.600 0.076 0.000 1.192 393 E CA 1.515 57.989 56.400 0.123 0.000 2.456 393 E CB -1.104 28.666 29.700 0.117 0.000 1.755 393 E HN 0.695 nan 8.360 nan 0.000 0.473 394 Q N -0.204 119.646 119.800 0.083 0.000 2.226 394 Q HA -0.145 4.201 4.340 0.009 0.000 0.204 394 Q C 1.488 177.497 176.000 0.016 0.000 0.975 394 Q CA 1.455 57.284 55.803 0.044 0.000 0.866 394 Q CB 0.193 28.962 28.738 0.051 0.000 0.915 394 Q HN 0.286 nan 8.270 nan 0.000 0.440 395 Q N -1.686 118.127 119.800 0.022 0.000 2.281 395 Q HA 0.149 4.495 4.340 0.009 0.000 0.215 395 Q C 0.490 176.467 176.000 -0.039 0.000 0.867 395 Q CA 0.712 56.500 55.803 -0.024 0.000 0.940 395 Q CB 1.360 30.075 28.738 -0.038 0.000 1.111 395 Q HN 0.449 nan 8.270 nan 0.000 0.513 396 G N 1.776 110.568 108.800 -0.012 0.000 2.314 396 G HA2 -0.241 3.724 3.960 0.009 0.000 0.292 396 G HA3 -0.241 3.724 3.960 0.009 0.000 0.292 396 G C 0.237 175.103 174.900 -0.057 0.000 1.059 396 G CA 0.339 45.430 45.100 -0.014 0.000 0.982 396 G HN 0.158 nan 8.290 nan 0.000 0.505 397 V N 0.203 120.041 119.914 -0.127 0.000 3.051 397 V HA 0.751 4.876 4.120 0.009 0.000 0.306 397 V C 1.079 177.135 176.094 -0.063 0.000 1.083 397 V CA 0.641 62.808 62.300 -0.221 0.000 1.104 397 V CB 1.314 32.717 31.823 -0.700 0.000 1.027 397 V HN 1.262 nan 8.190 nan 0.000 0.483 398 T N 0.018 114.548 114.554 -0.040 0.000 2.787 398 T HA 0.720 5.076 4.350 0.009 0.000 0.297 398 T C -1.092 173.564 174.700 -0.073 0.000 1.221 398 T CA -0.602 61.494 62.100 -0.006 0.000 1.006 398 T CB 1.791 70.633 68.868 -0.044 0.000 1.328 398 T HN 1.006 nan 8.240 nan 0.000 0.509 399 V N 0.452 120.262 119.914 -0.172 0.000 2.851 399 V HA 0.790 4.916 4.120 0.009 0.000 0.307 399 V C -1.331 174.476 176.094 -0.478 0.000 1.129 399 V CA -0.253 61.723 62.300 -0.540 0.000 0.932 399 V CB 2.070 33.413 31.823 -0.799 0.000 1.024 399 V HN 1.280 nan 8.190 nan 0.000 0.426 400 S N 5.451 120.774 115.700 -0.628 0.000 2.568 400 S HA 0.853 5.328 4.470 0.009 0.000 0.293 400 S C -1.244 172.876 174.600 -0.800 0.000 1.089 400 S CA -0.359 57.521 58.200 -0.533 0.000 0.945 400 S CB 1.772 64.755 63.200 -0.362 0.000 1.077 400 S HN 0.624 nan 8.310 nan 0.000 0.485 401 F N 1.062 120.623 119.950 -0.648 0.000 2.546 401 F HA 0.631 5.164 4.527 0.010 0.000 0.320 401 F C -0.888 174.366 175.800 -0.909 0.000 1.076 401 F CA -0.619 56.998 58.000 -0.639 0.000 0.928 401 F CB 1.386 40.093 39.000 -0.488 0.000 1.189 401 F HN 0.481 nan 8.300 nan 0.000 0.465 402 Y N 0.565 120.769 120.300 -0.159 0.000 2.442 402 Y HA 0.591 5.146 4.550 0.009 0.000 0.344 402 Y C 0.539 176.342 175.900 -0.162 0.000 0.976 402 Y CA -0.967 57.064 58.100 -0.115 0.000 1.040 402 Y CB 1.784 40.198 38.460 -0.077 0.000 1.228 402 Y HN 0.907 nan 8.280 nan 0.000 0.451 403 G N 1.107 109.937 108.800 0.050 0.000 2.749 403 G HA2 0.281 4.247 3.960 0.009 0.000 0.242 403 G HA3 0.281 4.247 3.960 0.009 0.000 0.242 403 G C 0.305 174.919 174.900 -0.476 0.000 1.364 403 G CA 0.036 45.096 45.100 -0.066 0.000 0.888 403 G HN 1.899 nan 8.290 nan 0.000 0.566 404 G N -1.271 107.165 108.800 -0.606 0.000 2.749 404 G HA2 0.156 4.121 3.960 0.009 0.000 0.242 404 G HA3 0.156 4.121 3.960 0.009 0.000 0.242 404 G C 0.811 175.455 174.900 -0.426 0.000 1.364 404 G CA 1.182 45.835 45.100 -0.745 0.000 0.888 404 G HN 2.381 nan 8.290 nan 0.000 0.566 405 E N -0.877 119.078 120.200 -0.408 0.000 2.478 405 E HA 0.239 4.594 4.350 0.009 0.000 0.194 405 E C 2.006 178.421 176.600 -0.309 0.000 1.045 405 E CA 0.430 56.658 56.400 -0.286 0.000 0.868 405 E CB 0.008 29.576 29.700 -0.221 0.000 0.885 405 E HN 0.467 nan 8.360 nan 0.000 0.505 406 L N 1.374 122.329 121.223 -0.447 0.000 2.628 406 L HA 0.178 4.524 4.340 0.009 0.000 0.229 406 L C 0.512 177.196 176.870 -0.311 0.000 1.137 406 L CA -0.590 53.987 54.840 -0.438 0.000 0.909 406 L CB -0.288 41.236 42.059 -0.891 0.000 1.137 406 L HN 0.120 nan 8.230 nan 0.000 0.470 407 N N 1.047 119.573 118.700 -0.290 0.000 2.292 407 N HA 0.013 4.759 4.740 0.009 0.000 0.258 407 N C 1.270 176.654 175.510 -0.210 0.000 1.261 407 N CA 1.599 54.512 53.050 -0.229 0.000 0.845 407 N CB 0.579 38.965 38.487 -0.169 0.000 1.064 407 N HN 0.331 nan 8.380 nan 0.000 0.471 408 G N 1.782 110.415 108.800 -0.277 0.000 2.284 408 G HA2 -0.295 3.671 3.960 0.009 0.000 0.247 408 G HA3 -0.295 3.671 3.960 0.009 0.000 0.247 408 G C -0.032 174.712 174.900 -0.261 0.000 1.012 408 G CA 0.453 45.403 45.100 -0.250 0.000 0.618 408 G HN 0.693 nan 8.290 nan 0.000 0.521 409 Q N 0.532 120.181 119.800 -0.251 0.000 2.312 409 Q HA 0.632 4.978 4.340 0.009 0.000 0.236 409 Q C -0.290 175.490 176.000 -0.367 0.000 0.965 409 Q CA 0.423 56.035 55.803 -0.319 0.000 0.894 409 Q CB 1.167 29.715 28.738 -0.316 0.000 1.225 409 Q HN 0.257 nan 8.270 nan 0.000 0.478 410 T N 0.840 115.064 114.554 -0.549 0.000 2.903 410 T HA 0.623 4.978 4.350 0.009 0.000 0.299 410 T C -1.335 172.945 174.700 -0.700 0.000 1.093 410 T CA -0.593 61.243 62.100 -0.439 0.000 1.002 410 T CB 0.680 69.378 68.868 -0.283 0.000 1.127 410 T HN 0.308 nan 8.240 nan 0.000 0.488 411 F N 1.282 121.172 119.950 -0.101 0.000 2.536 411 F HA 0.419 4.951 4.527 0.009 0.000 0.322 411 F C 1.323 177.116 175.800 -0.011 0.000 1.144 411 F CA -0.898 57.089 58.000 -0.022 0.000 0.924 411 F CB 2.156 41.180 39.000 0.040 0.000 1.181 411 F HN 0.699 nan 8.300 nan 0.000 0.438 412 T N -3.035 111.601 114.554 0.137 0.000 3.010 412 T HA 0.077 4.432 4.350 0.009 0.000 0.257 412 T C 0.036 174.812 174.700 0.126 0.000 1.020 412 T CA -0.194 61.962 62.100 0.094 0.000 0.938 412 T CB -0.245 68.642 68.868 0.031 0.000 1.049 412 T HN 0.394 nan 8.240 nan 0.000 0.522 413 D N 2.999 123.502 120.400 0.171 0.000 2.344 413 D HA 0.262 4.907 4.640 0.009 0.000 0.253 413 D C -1.395 175.009 176.300 0.174 0.000 1.255 413 D CA -2.137 51.956 54.000 0.156 0.000 0.894 413 D CB 1.256 42.156 40.800 0.166 0.000 1.067 413 D HN -0.021 nan 8.370 nan 0.000 0.492 414 P HA -0.243 nan 4.420 nan 0.000 0.222 414 P C -1.523 175.867 177.300 0.150 0.000 1.147 414 P CA 2.093 65.301 63.100 0.180 0.000 0.958 414 P CB -0.708 31.070 31.700 0.130 0.000 0.788 415 P HA -0.176 nan 4.420 nan 0.000 0.214 415 P C 1.588 178.928 177.300 0.066 0.000 1.169 415 P CA 2.260 65.388 63.100 0.048 0.000 0.908 415 P CB -0.808 30.911 31.700 0.031 0.000 0.791 416 T N -0.811 113.805 114.554 0.103 0.000 2.759 416 T HA -0.118 4.238 4.350 0.009 0.000 0.269 416 T C 1.775 176.632 174.700 0.261 0.000 1.042 416 T CA 1.390 63.559 62.100 0.114 0.000 1.140 416 T CB -1.047 67.908 68.868 0.145 0.000 0.864 416 T HN -0.112 nan 8.240 nan 0.000 0.455 417 V N 1.328 121.431 119.914 0.315 0.000 2.295 417 V HA -0.193 3.933 4.120 0.009 0.000 0.246 417 V C 2.452 178.835 176.094 0.482 0.000 1.049 417 V CA 1.582 64.152 62.300 0.451 0.000 1.024 417 V CB -0.534 31.575 31.823 0.477 0.000 0.648 417 V HN 0.445 nan 8.190 nan 0.000 0.447 418 K N 0.262 120.812 120.400 0.250 0.000 2.009 418 K HA -0.207 4.119 4.320 0.009 0.000 0.210 418 K C 2.567 179.176 176.600 0.015 0.000 1.049 418 K CA 1.824 58.080 56.287 -0.052 0.000 0.929 418 K CB -0.554 31.793 32.500 -0.255 0.000 0.714 418 K HN 0.400 nan 8.250 nan 0.000 0.440 419 S N 0.273 115.976 115.700 0.003 0.000 2.378 419 S HA -0.243 4.233 4.470 0.009 0.000 0.229 419 S C 1.976 176.573 174.600 -0.006 0.000 1.052 419 S CA 1.573 59.736 58.200 -0.062 0.000 1.084 419 S CB -0.445 62.650 63.200 -0.175 0.000 0.950 419 S HN 0.309 nan 8.310 nan 0.000 0.440 420 Y N 1.575 121.957 120.300 0.137 0.000 2.315 420 Y HA 0.014 4.570 4.550 0.009 0.000 0.288 420 Y C 2.658 178.777 175.900 0.365 0.000 1.154 420 Y CA 0.778 59.028 58.100 0.249 0.000 1.229 420 Y CB -0.817 37.795 38.460 0.255 0.000 0.980 420 Y HN 0.411 nan 8.280 nan 0.000 0.540 421 A N -0.057 123.020 122.820 0.427 0.000 1.897 421 A HA -0.132 4.193 4.320 0.009 0.000 0.215 421 A C 2.260 179.857 177.584 0.022 0.000 1.181 421 A CA 1.176 53.270 52.037 0.095 0.000 0.620 421 A CB -0.410 18.588 19.000 -0.003 0.000 0.821 421 A HN 0.359 nan 8.150 nan 0.000 0.443 422 R N -0.451 120.051 120.500 0.002 0.000 2.148 422 R HA -0.037 4.308 4.340 0.009 0.000 0.227 422 R C 1.413 177.623 176.300 -0.150 0.000 1.103 422 R CA 1.074 57.128 56.100 -0.076 0.000 0.983 422 R CB -0.059 30.205 30.300 -0.059 0.000 0.874 422 R HN 0.243 nan 8.270 nan 0.000 0.451 423 K N -0.093 120.327 120.400 0.033 0.000 2.361 423 K HA 0.120 4.445 4.320 0.009 0.000 0.196 423 K C 1.710 178.454 176.600 0.239 0.000 1.039 423 K CA 0.617 56.997 56.287 0.155 0.000 1.001 423 K CB 0.346 33.030 32.500 0.306 0.000 0.795 423 K HN 0.105 nan 8.250 nan 0.000 0.495 424 A N 1.486 124.440 122.820 0.224 0.000 1.929 424 A HA -0.051 4.274 4.320 0.009 0.000 0.216 424 A C 2.142 179.870 177.584 0.241 0.000 1.176 424 A CA 0.697 52.921 52.037 0.312 0.000 0.628 424 A CB -0.452 18.732 19.000 0.306 0.000 0.816 424 A HN 0.155 nan 8.150 nan 0.000 0.444 425 I N -0.860 119.734 120.570 0.039 0.000 2.229 425 I HA -0.316 3.860 4.170 0.009 0.000 0.250 425 I C 1.404 177.663 176.117 0.236 0.000 1.096 425 I CA 1.485 62.809 61.300 0.040 0.000 1.358 425 I CB -0.344 37.561 38.000 -0.159 0.000 1.047 425 I HN 0.352 nan 8.210 nan 0.000 0.422 426 F N 0.924 121.125 119.950 0.418 0.000 2.816 426 F HA 0.256 4.789 4.527 0.010 0.000 0.302 426 F C 1.529 177.685 175.800 0.595 0.000 1.178 426 F CA 0.484 58.732 58.000 0.414 0.000 1.421 426 F CB -1.154 38.151 39.000 0.508 0.000 1.114 426 F HN 0.202 nan 8.300 nan 0.000 0.573 427 G N -0.330 108.934 108.800 0.772 0.000 2.481 427 G HA2 -0.209 3.756 3.960 0.009 0.000 0.230 427 G HA3 -0.209 3.756 3.960 0.009 0.000 0.230 427 G C -0.458 174.862 174.900 0.700 0.000 1.210 427 G CA -0.876 44.679 45.100 0.759 0.000 0.936 427 G HN 0.012 nan 8.290 nan 0.000 0.583 428 E N 0.684 121.317 120.200 0.721 0.000 2.465 428 E HA 0.255 4.611 4.350 0.009 0.000 0.260 428 E C 0.680 177.746 176.600 0.776 0.000 0.980 428 E CA 0.254 57.094 56.400 0.734 0.000 0.927 428 E CB 0.358 30.495 29.700 0.729 0.000 0.934 428 E HN 0.449 nan 8.360 nan 0.000 0.459 429 I N 4.324 125.274 120.570 0.635 0.000 2.371 429 I HA 0.159 4.335 4.170 0.009 0.000 0.290 429 I C 0.041 176.343 176.117 0.308 0.000 1.028 429 I CA -0.110 61.497 61.300 0.511 0.000 1.345 429 I CB 0.243 38.516 38.000 0.456 0.000 1.407 429 I HN 0.234 nan 8.210 nan 0.000 0.501 430 F N 3.659 123.590 119.950 -0.032 0.000 2.639 430 F HA 0.424 4.957 4.527 0.009 0.000 0.339 430 F C 0.253 175.743 175.800 -0.516 0.000 1.071 430 F CA -0.993 56.824 58.000 -0.304 0.000 0.994 430 F CB 1.271 39.899 39.000 -0.621 0.000 1.341 430 F HN 0.335 nan 8.300 nan 0.000 0.498 431 E N 1.282 121.270 120.200 -0.353 0.000 2.114 431 E HA 0.433 4.788 4.350 0.009 0.000 0.266 431 E C -1.762 174.622 176.600 -0.361 0.000 0.896 431 E CA -0.310 55.912 56.400 -0.297 0.000 0.750 431 E CB 0.609 30.207 29.700 -0.170 0.000 1.121 431 E HN 0.330 nan 8.360 nan 0.000 0.413 432 F N 2.126 122.110 119.950 0.057 0.000 2.432 432 F HA 0.252 4.784 4.527 0.009 0.000 0.329 432 F C 0.400 176.202 175.800 0.004 0.000 1.076 432 F CA -0.990 57.031 58.000 0.035 0.000 1.018 432 F CB 1.125 40.153 39.000 0.047 0.000 1.201 432 F HN 0.376 nan 8.300 nan 0.000 0.489 433 D N 0.138 120.658 120.400 0.201 0.000 2.373 433 D HA 0.188 4.834 4.640 0.009 0.000 0.227 433 D C 0.422 176.769 176.300 0.079 0.000 1.091 433 D CA -0.388 53.666 54.000 0.090 0.000 0.840 433 D CB 1.049 41.871 40.800 0.038 0.000 1.060 433 D HN 0.584 nan 8.370 nan 0.000 0.502 434 T N 0.250 114.837 114.554 0.054 0.000 3.085 434 T HA 0.165 4.521 4.350 0.009 0.000 0.264 434 T C 1.072 175.771 174.700 -0.000 0.000 1.019 434 T CA -0.209 61.903 62.100 0.019 0.000 0.910 434 T CB 0.257 69.132 68.868 0.013 0.000 1.059 434 T HN 0.285 nan 8.240 nan 0.000 0.542 435 E N 1.623 121.823 120.200 0.000 0.000 2.127 435 E HA 0.052 4.408 4.350 0.009 0.000 0.191 435 E C 2.051 178.642 176.600 -0.015 0.000 0.964 435 E CA 1.069 57.464 56.400 -0.009 0.000 0.832 435 E CB -0.315 29.380 29.700 -0.009 0.000 0.790 435 E HN 0.430 nan 8.360 nan 0.000 0.465 436 T N 0.992 115.536 114.554 -0.017 0.000 2.665 436 T HA -0.164 4.191 4.350 0.009 0.000 0.268 436 T C 1.506 176.189 174.700 -0.028 0.000 1.035 436 T CA 1.465 63.549 62.100 -0.026 0.000 1.151 436 T CB -0.162 68.686 68.868 -0.034 0.000 0.862 436 T HN 0.155 nan 8.240 nan 0.000 0.438 437 L N 0.547 121.754 121.223 -0.026 0.000 2.640 437 L HA 0.302 4.647 4.340 0.009 0.000 0.230 437 L C 0.777 177.634 176.870 -0.022 0.000 1.123 437 L CA -0.185 54.640 54.840 -0.026 0.000 0.900 437 L CB -0.250 41.793 42.059 -0.027 0.000 1.146 437 L HN 0.293 nan 8.230 nan 0.000 0.484 438 N N 1.240 119.927 118.700 -0.021 0.000 2.756 438 N HA -0.157 4.589 4.740 0.009 0.000 0.248 438 N C -0.061 175.434 175.510 -0.025 0.000 1.062 438 N CA 0.502 53.540 53.050 -0.020 0.000 0.696 438 N CB -0.573 37.904 38.487 -0.017 0.000 0.946 438 N HN 0.207 nan 8.380 nan 0.000 0.548 439 S N 0.355 116.036 115.700 -0.031 0.000 2.587 439 S HA 0.083 4.559 4.470 0.009 0.000 0.260 439 S C 1.242 175.810 174.600 -0.053 0.000 1.353 439 S CA 0.382 58.554 58.200 -0.047 0.000 0.995 439 S CB 0.804 63.965 63.200 -0.066 0.000 0.912 439 S HN 0.530 nan 8.310 nan 0.000 0.568 440 D N -1.850 118.507 120.400 -0.071 0.000 2.520 440 D HA 0.248 4.894 4.640 0.009 0.000 0.223 440 D C 0.881 177.117 176.300 -0.107 0.000 1.186 440 D CA 0.307 54.264 54.000 -0.071 0.000 0.821 440 D CB -0.453 40.316 40.800 -0.053 0.000 1.072 440 D HN 0.795 nan 8.370 nan 0.000 0.518 441 G N 0.740 109.445 108.800 -0.160 0.000 2.147 441 G HA2 -0.231 3.735 3.960 0.009 0.000 0.244 441 G HA3 -0.231 3.735 3.960 0.009 0.000 0.244 441 G C -0.121 174.571 174.900 -0.346 0.000 1.005 441 G CA 0.304 45.259 45.100 -0.240 0.000 0.713 441 G HN 0.448 nan 8.290 nan 0.000 0.515 442 I N 0.206 120.596 120.570 -0.300 0.000 2.447 442 I HA 0.474 4.649 4.170 0.009 0.000 0.287 442 I C 0.335 176.300 176.117 -0.252 0.000 1.023 442 I CA -1.365 59.754 61.300 -0.302 0.000 1.083 442 I CB 1.052 38.975 38.000 -0.129 0.000 1.245 442 I HN -0.094 nan 8.210 nan 0.000 0.434 443 F N 5.199 125.060 119.950 -0.148 0.000 2.642 443 F HA 0.151 4.684 4.527 0.009 0.000 0.371 443 F C 0.934 176.668 175.800 -0.111 0.000 1.120 443 F CA 0.397 58.293 58.000 -0.173 0.000 1.331 443 F CB 0.123 38.984 39.000 -0.232 0.000 1.044 443 F HN 0.360 nan 8.300 nan 0.000 0.594 444 R N 0.567 121.143 120.500 0.128 0.000 2.725 444 R HA 0.381 4.726 4.340 0.009 0.000 0.277 444 R C -0.381 175.954 176.300 0.057 0.000 0.987 444 R CA -1.026 55.126 56.100 0.086 0.000 0.901 444 R CB 1.987 32.363 30.300 0.128 0.000 1.207 444 R HN 0.620 nan 8.270 nan 0.000 0.463 445 T N 0.577 115.121 114.554 -0.018 0.000 2.813 445 T HA 0.144 4.500 4.350 0.009 0.000 0.297 445 T C 0.563 175.334 174.700 0.118 0.000 1.036 445 T CA -0.184 61.874 62.100 -0.070 0.000 1.044 445 T CB 0.607 69.273 68.868 -0.337 0.000 0.993 445 T HN 0.667 nan 8.240 nan 0.000 0.535 446 S N 3.023 118.810 115.700 0.145 0.000 2.713 446 S HA 0.440 4.916 4.470 0.009 0.000 0.277 446 S C -1.870 172.985 174.600 0.426 0.000 1.168 446 S CA -1.199 57.187 58.200 0.309 0.000 0.994 446 S CB 0.749 64.114 63.200 0.275 0.000 1.054 446 S HN 0.500 nan 8.310 nan 0.000 0.555 447 P HA -0.121 nan 4.420 nan 0.000 0.216 447 P C 1.692 179.353 177.300 0.602 0.000 1.153 447 P CA 1.251 64.728 63.100 0.628 0.000 0.858 447 P CB -0.057 32.003 31.700 0.600 0.000 0.789 448 R N -0.219 120.538 120.500 0.428 0.000 2.117 448 R HA -0.136 4.209 4.340 0.009 0.000 0.243 448 R C 2.203 178.749 176.300 0.410 0.000 1.143 448 R CA 2.118 58.399 56.100 0.302 0.000 0.968 448 R CB -1.221 29.134 30.300 0.092 0.000 0.863 448 R HN 0.174 nan 8.270 nan 0.000 0.444 449 G N 0.038 109.055 108.800 0.363 0.000 2.464 449 G HA2 -0.257 3.709 3.960 0.009 0.000 0.214 449 G HA3 -0.257 3.709 3.960 0.009 0.000 0.214 449 G C 0.965 176.007 174.900 0.237 0.000 1.218 449 G CA 0.677 45.977 45.100 0.333 0.000 0.794 449 G HN 0.459 nan 8.290 nan 0.000 0.542 450 W N 0.129 121.589 121.300 0.267 0.000 2.315 450 W HA -0.062 4.604 4.660 0.010 0.000 0.323 450 W C 2.292 178.990 176.519 0.299 0.000 1.233 450 W CA 0.942 58.420 57.345 0.222 0.000 1.267 450 W CB -0.924 28.610 29.460 0.123 0.000 1.160 450 W HN 0.164 nan 8.180 nan 0.000 0.474 451 F N 1.360 121.639 119.950 0.549 0.000 2.063 451 F HA -0.387 4.145 4.527 0.009 0.000 0.298 451 F C 2.344 178.383 175.800 0.398 0.000 1.105 451 F CA 2.747 61.079 58.000 0.553 0.000 1.215 451 F CB -0.875 38.481 39.000 0.593 0.000 0.972 451 F HN -0.249 nan 8.300 nan 0.000 0.483 452 T N 0.574 115.493 114.554 0.608 0.000 2.788 452 T HA -0.241 4.115 4.350 0.009 0.000 0.268 452 T C 1.553 176.315 174.700 0.103 0.000 1.044 452 T CA 1.548 63.858 62.100 0.349 0.000 1.139 452 T CB -0.741 68.306 68.868 0.299 0.000 0.867 452 T HN 0.433 nan 8.240 nan 0.000 0.454 453 F N 2.304 122.224 119.950 -0.051 0.000 2.113 453 F HA 0.085 4.618 4.527 0.009 0.000 0.297 453 F C 2.420 178.088 175.800 -0.221 0.000 1.103 453 F CA 0.899 58.792 58.000 -0.179 0.000 1.248 453 F CB -0.856 38.024 39.000 -0.200 0.000 0.999 453 F HN 0.131 nan 8.300 nan 0.000 0.475 454 A N -0.047 122.553 122.820 -0.366 0.000 1.865 454 A HA -0.255 4.071 4.320 0.009 0.000 0.217 454 A C 1.901 178.952 177.584 -0.889 0.000 1.191 454 A CA 2.168 53.721 52.037 -0.807 0.000 0.623 454 A CB -1.482 17.212 19.000 -0.510 0.000 0.826 454 A HN 0.629 nan 8.150 nan 0.000 0.444 455 H N -0.665 118.101 119.070 -0.506 0.000 2.495 455 H HA 0.251 4.812 4.556 0.009 0.000 0.287 455 H C 2.180 177.288 175.328 -0.366 0.000 1.033 455 H CA 0.973 56.802 56.048 -0.364 0.000 1.307 455 H CB -0.086 29.454 29.762 -0.369 0.000 1.401 455 H HN 0.525 nan 8.280 nan 0.000 0.555 456 A N 0.041 122.688 122.820 -0.289 0.000 2.016 456 A HA -0.000 4.326 4.320 0.009 0.000 0.217 456 A C 2.260 179.614 177.584 -0.382 0.000 1.162 456 A CA 0.923 52.787 52.037 -0.288 0.000 0.662 456 A CB -0.198 18.697 19.000 -0.174 0.000 0.812 456 A HN 0.260 nan 8.150 nan 0.000 0.450 457 V N -1.517 118.081 119.914 -0.526 0.000 2.599 457 V HA -0.050 4.075 4.120 0.009 0.000 0.245 457 V C 2.091 178.002 176.094 -0.304 0.000 1.046 457 V CA 1.093 63.099 62.300 -0.490 0.000 1.065 457 V CB -0.781 30.567 31.823 -0.791 0.000 0.703 457 V HN 0.504 nan 8.190 nan 0.000 0.464 458 F N 1.225 120.959 119.950 -0.360 0.000 2.234 458 F HA -0.047 4.486 4.527 0.009 0.000 0.299 458 F C 2.418 178.106 175.800 -0.186 0.000 1.087 458 F CA 0.812 58.667 58.000 -0.242 0.000 1.340 458 F CB -1.289 37.469 39.000 -0.404 0.000 1.031 458 F HN 0.110 nan 8.300 nan 0.000 0.500 459 A N -0.034 122.655 122.820 -0.218 0.000 1.865 459 A HA -0.199 4.127 4.320 0.009 0.000 0.217 459 A C 2.202 179.618 177.584 -0.280 0.000 1.191 459 A CA 1.686 53.437 52.037 -0.477 0.000 0.623 459 A CB -1.206 16.948 19.000 -1.410 0.000 0.826 459 A HN 0.306 nan 8.150 nan 0.000 0.444 460 L N -0.574 120.520 121.223 -0.215 0.000 2.201 460 L HA -0.033 4.313 4.340 0.009 0.000 0.212 460 L C 2.244 179.213 176.870 0.165 0.000 1.105 460 L CA 1.232 56.100 54.840 0.048 0.000 0.775 460 L CB -0.240 41.849 42.059 0.050 0.000 0.913 460 L HN 0.404 nan 8.230 nan 0.000 0.440 461 L N -2.512 118.813 121.223 0.170 0.000 2.313 461 L HA -0.125 4.220 4.340 0.009 0.000 0.214 461 L C 1.794 178.839 176.870 0.291 0.000 1.119 461 L CA 0.759 55.728 54.840 0.216 0.000 0.809 461 L CB -0.261 41.928 42.059 0.217 0.000 0.933 461 L HN 0.195 nan 8.230 nan 0.000 0.449 462 F N -1.593 118.450 119.950 0.154 0.000 2.789 462 F HA -0.099 4.434 4.527 0.009 0.000 0.300 462 F C 2.053 178.048 175.800 0.326 0.000 1.132 462 F CA 0.205 58.344 58.000 0.231 0.000 1.404 462 F CB 0.125 39.266 39.000 0.235 0.000 1.114 462 F HN 0.018 nan 8.300 nan 0.000 0.584 463 F N -0.305 119.733 119.950 0.146 0.000 2.163 463 F HA -0.169 4.364 4.527 0.009 0.000 0.297 463 F C 2.001 177.920 175.800 0.198 0.000 1.094 463 F CA 1.247 59.235 58.000 -0.020 0.000 1.290 463 F CB -0.799 38.068 39.000 -0.221 0.000 1.017 463 F HN 0.006 nan 8.300 nan 0.000 0.483 464 F N 0.937 120.886 119.950 -0.000 0.000 2.234 464 F HA 0.056 4.589 4.527 0.009 0.000 0.299 464 F C 2.282 178.030 175.800 -0.087 0.000 1.087 464 F CA 1.555 59.476 58.000 -0.132 0.000 1.340 464 F CB -0.837 38.127 39.000 -0.060 0.000 1.031 464 F HN 0.021 nan 8.300 nan 0.000 0.500 465 G N -1.125 107.745 108.800 0.117 0.000 2.402 465 G HA2 -0.335 3.631 3.960 0.009 0.000 0.216 465 G HA3 -0.335 3.631 3.960 0.009 0.000 0.216 465 G C 1.421 176.414 174.900 0.155 0.000 1.162 465 G CA 1.091 46.253 45.100 0.102 0.000 0.777 465 G HN 0.516 nan 8.290 nan 0.000 0.539 466 H N 0.759 119.884 119.070 0.091 0.000 2.267 466 H HA 0.056 4.617 4.556 0.009 0.000 0.297 466 H C 2.348 177.637 175.328 -0.065 0.000 1.080 466 H CA 1.577 57.688 56.048 0.105 0.000 1.278 466 H CB -0.464 29.471 29.762 0.289 0.000 1.365 466 H HN 0.245 nan 8.280 nan 0.000 0.489 467 I N 0.431 120.667 120.570 -0.557 0.000 2.800 467 I HA -0.245 3.931 4.170 0.009 0.000 0.266 467 I C 2.144 177.974 176.117 -0.477 0.000 1.249 467 I CA 0.831 61.739 61.300 -0.653 0.000 1.458 467 I CB -0.239 37.314 38.000 -0.744 0.000 1.093 467 I HN 0.577 nan 8.210 nan 0.000 0.466 468 W N 0.963 121.872 121.300 -0.653 0.000 2.633 468 W HA -0.093 4.572 4.660 0.009 0.000 0.295 468 W C 2.343 178.615 176.519 -0.411 0.000 1.133 468 W CA 0.857 57.842 57.345 -0.600 0.000 1.490 468 W CB -0.621 28.416 29.460 -0.707 0.000 1.127 468 W HN 0.097 nan 8.180 nan 0.000 0.538 469 H N 0.454 119.423 119.070 -0.169 0.000 2.387 469 H HA -0.099 4.463 4.556 0.010 0.000 0.299 469 H C 2.427 177.585 175.328 -0.283 0.000 1.099 469 H CA 1.918 57.806 56.048 -0.267 0.000 1.315 469 H CB -1.009 28.734 29.762 -0.031 0.000 1.380 469 H HN 0.302 nan 8.280 nan 0.000 0.513 470 G N 0.616 109.321 108.800 -0.158 0.000 2.480 470 G HA2 -0.261 3.705 3.960 0.009 0.000 0.216 470 G HA3 -0.261 3.705 3.960 0.009 0.000 0.216 470 G C 1.994 176.792 174.900 -0.171 0.000 1.200 470 G CA 1.476 46.465 45.100 -0.184 0.000 0.782 470 G HN 0.504 nan 8.290 nan 0.000 0.554 471 A N 0.213 122.893 122.820 -0.232 0.000 2.019 471 A HA -0.010 4.315 4.320 0.009 0.000 0.219 471 A C 2.305 179.796 177.584 -0.156 0.000 1.164 471 A CA 1.788 53.742 52.037 -0.138 0.000 0.644 471 A CB -0.368 18.464 19.000 -0.280 0.000 0.805 471 A HN 0.386 nan 8.150 nan 0.000 0.449 472 R N -1.049 119.213 120.500 -0.397 0.000 2.236 472 R HA -0.030 4.316 4.340 0.009 0.000 0.208 472 R C 1.589 177.737 176.300 -0.252 0.000 1.036 472 R CA 1.407 57.238 56.100 -0.449 0.000 1.001 472 R CB -0.180 29.631 30.300 -0.815 0.000 0.896 472 R HN 0.495 nan 8.270 nan 0.000 0.464 473 T N 0.780 115.236 114.554 -0.163 0.000 2.781 473 T HA 0.052 4.408 4.350 0.009 0.000 0.252 473 T C 1.178 175.825 174.700 -0.089 0.000 1.039 473 T CA 0.603 62.630 62.100 -0.122 0.000 1.147 473 T CB 0.057 68.863 68.868 -0.103 0.000 0.865 473 T HN 0.146 nan 8.240 nan 0.000 0.423 474 L N 0.636 121.821 121.223 -0.063 0.000 2.855 474 L HA 0.235 4.580 4.340 0.009 0.000 0.257 474 L C 0.170 176.870 176.870 -0.284 0.000 1.206 474 L CA 0.582 55.330 54.840 -0.153 0.000 1.042 474 L CB -0.538 41.432 42.059 -0.148 0.000 1.321 474 L HN 0.222 nan 8.230 nan 0.000 0.417 475 F N -1.537 118.344 119.950 -0.114 0.000 3.206 475 F HA 0.051 4.584 4.527 0.009 0.000 0.360 475 F C 1.822 177.591 175.800 -0.053 0.000 1.233 475 F CA -0.525 57.426 58.000 -0.082 0.000 0.936 475 F CB 0.136 39.079 39.000 -0.095 0.000 1.571 475 F HN -0.045 nan 8.300 nan 0.000 0.499 476 R N 0.980 121.511 120.500 0.050 0.000 2.103 476 R HA -0.197 4.149 4.340 0.009 0.000 0.242 476 R C 1.561 177.917 176.300 0.093 0.000 1.142 476 R CA 2.215 58.331 56.100 0.026 0.000 0.960 476 R CB -1.275 28.983 30.300 -0.070 0.000 0.858 476 R HN 0.347 nan 8.270 nan 0.000 0.439 477 D N 1.049 121.479 120.400 0.050 0.000 2.322 477 D HA -0.132 4.514 4.640 0.009 0.000 0.210 477 D C 1.196 177.546 176.300 0.084 0.000 0.983 477 D CA 1.488 55.516 54.000 0.047 0.000 0.902 477 D CB 0.055 40.858 40.800 0.006 0.000 0.905 477 D HN 0.408 nan 8.370 nan 0.000 0.483 478 V N -1.190 118.809 119.914 0.142 0.000 3.398 478 V HA 0.101 4.227 4.120 0.009 0.000 0.298 478 V C 1.757 177.934 176.094 0.138 0.000 1.496 478 V CA -0.488 61.893 62.300 0.134 0.000 1.044 478 V CB -0.870 31.055 31.823 0.170 0.000 0.880 478 V HN -0.003 nan 8.190 nan 0.000 0.443 479 F N 2.605 122.557 119.950 0.003 0.000 2.135 479 F HA -0.314 4.219 4.527 0.009 0.000 0.300 479 F C 2.019 177.803 175.800 -0.027 0.000 1.074 479 F CA 2.127 60.103 58.000 -0.040 0.000 1.262 479 F CB 0.205 39.173 39.000 -0.054 0.000 1.013 479 F HN 0.236 nan 8.300 nan 0.000 0.489 480 S N 0.104 115.773 115.700 -0.052 0.000 2.605 480 S HA 0.449 4.925 4.470 0.009 0.000 0.217 480 S C 0.358 174.898 174.600 -0.099 0.000 0.958 480 S CA 0.363 58.478 58.200 -0.141 0.000 0.919 480 S CB -0.020 63.161 63.200 -0.032 0.000 0.780 480 S HN 0.779 nan 8.310 nan 0.000 0.507 481 G N 0.396 109.155 108.800 -0.069 0.000 2.375 481 G HA2 0.297 4.263 3.960 0.009 0.000 0.663 481 G HA3 0.297 4.263 3.960 0.009 0.000 0.663 481 G C -0.481 174.413 174.900 -0.009 0.000 1.391 481 G CA -0.771 44.301 45.100 -0.046 0.000 0.949 481 G HN 0.593 nan 8.290 nan 0.000 0.646 482 I N -0.644 119.923 120.570 -0.005 0.000 2.892 482 I HA 0.604 4.779 4.170 0.009 0.000 0.287 482 I C 1.164 177.286 176.117 0.008 0.000 1.205 482 I CA 0.964 62.271 61.300 0.011 0.000 1.409 482 I CB -0.245 37.759 38.000 0.008 0.000 1.367 482 I HN 1.969 nan 8.210 nan 0.000 0.597 483 D N 5.940 126.348 120.400 0.014 0.000 2.363 483 D HA 0.478 5.124 4.640 0.009 0.000 0.263 483 D C -1.847 174.457 176.300 0.005 0.000 1.258 483 D CA -0.962 53.043 54.000 0.009 0.000 0.907 483 D CB -0.789 40.017 40.800 0.010 0.000 1.107 483 D HN 0.839 nan 8.370 nan 0.000 0.495 484 P HA 0.387 nan 4.420 nan 0.000 0.263 484 P C 0.365 177.665 177.300 0.001 0.000 1.168 484 P CA 1.671 64.771 63.100 0.000 0.000 0.759 484 P CB 0.022 31.721 31.700 -0.001 0.000 0.782 485 E N -2.172 118.028 120.200 0.001 0.000 6.993 485 E HA 0.243 4.598 4.350 0.009 0.000 0.276 485 E C -0.885 175.717 176.600 0.002 0.000 1.113 485 E CA 0.757 57.157 56.400 0.001 0.000 1.400 485 E CB -2.159 27.541 29.700 0.001 0.000 0.936 485 E HN 0.807 nan 8.360 nan 0.000 0.285 486 L N -1.713 119.512 121.223 0.002 0.000 2.654 486 L HA 1.201 5.546 4.340 0.009 0.000 0.257 486 L C 0.726 177.598 176.870 0.003 0.000 1.093 486 L CA 0.370 55.212 54.840 0.003 0.000 0.903 486 L CB 0.858 42.920 42.059 0.005 0.000 1.520 486 L HN 2.649 nan 8.230 nan 0.000 0.402 487 S N -1.848 113.854 115.700 0.003 0.000 2.655 487 S HA 1.028 5.504 4.470 0.009 0.000 0.266 487 S C -0.676 173.926 174.600 0.003 0.000 1.149 487 S CA -0.184 58.018 58.200 0.003 0.000 0.818 487 S CB 0.203 63.404 63.200 0.002 0.000 1.130 487 S HN 2.678 nan 8.310 nan 0.000 0.476 488 P HA 0.496 nan 4.420 nan 0.000 0.014 488 P C -0.365 176.937 177.300 0.004 0.000 0.521 488 P CA 3.030 66.132 63.100 0.003 0.000 1.035 488 P CB -2.039 29.662 31.700 0.002 0.000 1.909 489 E N 0.000 120.203 120.200 0.005 0.000 2.725 489 E HA 0.000 4.356 4.350 0.009 0.000 0.291 489 E CA 0.000 56.404 56.400 0.007 0.000 0.976 489 E CB 0.000 29.704 29.700 0.007 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440