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 1o75_1_B DATA FIRST_RESID 7 DATA SEQUENCE ETSYGYATLS YADYWAGELG QSRDVLLAXX XXXDRAGDLD AGMFDAVSRA DATA SEQUENCE THGHGAFRQQ FQYAVEVLGE KVLSKQETED SRGRKKWEYE TDPSVTKMVR DATA SEQUENCE ASASFQDLGE DGEIKFEAVE GAVALADRAS SFMVDSEEYK ITNVKVHGMK DATA SEQUENCE FVPVAVPHEL KGIAKEKFHF VEDSRVTENT NGLKTMLTED SFSARKVSSM DATA SEQUENCE ESPHDLVVDT VGTGYHSRFG SDAEASVMLK RADGSELSHR EFIDYVMNFN DATA SEQUENCE TVRYDYYGDD ASYTNLMASY GTKHSADSWW KTGRVPRISC GINYGFDRFK DATA SEQUENCE GSGPGYYRLT LIANGYRDVV ADVRFLPKYE GNIDIGLKGK VLTIGGADAE DATA SEQUENCE TLMDAAVDVF ADGQPKLVSD QAVSLGQNVL SADFTPGTEY TVEVRFKEFG DATA SEQUENCE SVRAKVV 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.604 176.600 0.006 0.000 1.382 7 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 7 E CB 0.000 29.708 29.700 0.014 0.000 0.812 8 T N 1.427 115.974 114.554 -0.010 0.000 2.991 8 T HA 0.427 4.777 4.350 0.000 0.000 0.303 8 T C -0.966 173.614 174.700 -0.201 0.000 1.015 8 T CA -0.657 61.355 62.100 -0.147 0.000 1.007 8 T CB 1.465 70.193 68.868 -0.232 0.000 1.034 8 T HN 0.435 nan 8.240 nan 0.000 0.446 9 S N 2.359 117.925 115.700 -0.223 0.000 2.565 9 S HA 0.785 5.255 4.470 0.000 0.000 0.290 9 S C -1.239 173.245 174.600 -0.193 0.000 1.150 9 S CA -0.800 57.374 58.200 -0.042 0.000 1.058 9 S CB 0.767 64.086 63.200 0.198 0.000 1.032 9 S HN 0.582 nan 8.310 nan 0.000 0.510 10 Y N 0.318 120.753 120.300 0.226 0.000 2.393 10 Y HA 0.786 5.336 4.550 0.000 0.000 0.341 10 Y C 0.913 176.929 175.900 0.194 0.000 0.988 10 Y CA -0.129 58.083 58.100 0.187 0.000 1.078 10 Y CB 2.336 40.825 38.460 0.047 0.000 1.203 10 Y HN 1.220 nan 8.280 nan 0.000 0.453 11 G N 0.510 109.507 108.800 0.329 0.000 2.364 11 G HA2 0.305 4.265 3.960 0.000 0.000 0.286 11 G HA3 0.305 4.265 3.960 0.000 0.000 0.286 11 G C -2.405 172.463 174.900 -0.053 0.000 1.241 11 G CA -0.796 44.310 45.100 0.009 0.000 0.887 11 G HN 0.262 nan 8.290 nan 0.000 0.484 12 Y N 0.327 120.725 120.300 0.162 0.000 2.446 12 Y HA 0.792 5.342 4.550 0.000 0.000 0.338 12 Y C 0.647 176.711 175.900 0.273 0.000 1.055 12 Y CA 0.016 58.252 58.100 0.226 0.000 1.101 12 Y CB 2.284 40.904 38.460 0.267 0.000 1.221 12 Y HN 0.888 nan 8.280 nan 0.000 0.460 13 A N 0.717 123.780 122.820 0.404 0.000 2.515 13 A HA 0.753 5.073 4.320 0.000 0.000 0.296 13 A C -1.075 176.562 177.584 0.088 0.000 1.094 13 A CA -0.838 51.373 52.037 0.291 0.000 0.718 13 A CB 1.104 20.255 19.000 0.251 0.000 1.307 13 A HN 0.584 nan 8.150 nan 0.000 0.408 14 T N 1.895 116.479 114.554 0.050 0.000 2.733 14 T HA 0.542 4.892 4.350 0.000 0.000 0.294 14 T C -0.771 173.898 174.700 -0.052 0.000 0.956 14 T CA 0.172 62.214 62.100 -0.097 0.000 0.987 14 T CB -0.187 68.567 68.868 -0.189 0.000 0.920 14 T HN 0.342 nan 8.240 nan 0.000 0.470 15 L N 3.346 124.505 121.223 -0.107 0.000 2.365 15 L HA 0.515 4.855 4.340 0.000 0.000 0.273 15 L C 0.776 177.614 176.870 -0.053 0.000 1.000 15 L CA -0.585 54.223 54.840 -0.053 0.000 0.819 15 L CB 1.927 43.877 42.059 -0.182 0.000 1.284 15 L HN 0.723 nan 8.230 nan 0.000 0.418 16 S N 1.088 116.809 115.700 0.034 0.000 2.589 16 S HA 0.131 4.601 4.470 0.000 0.000 0.265 16 S C 1.109 175.777 174.600 0.113 0.000 1.342 16 S CA -0.065 58.164 58.200 0.048 0.000 1.005 16 S CB 0.266 63.550 63.200 0.140 0.000 0.909 16 S HN 0.440 nan 8.310 nan 0.000 0.555 17 Y N 1.132 121.572 120.300 0.233 0.000 2.165 17 Y HA -0.096 4.454 4.550 0.000 0.000 0.286 17 Y C 2.857 178.939 175.900 0.303 0.000 1.155 17 Y CA 1.605 59.908 58.100 0.339 0.000 1.164 17 Y CB -1.293 37.452 38.460 0.475 0.000 0.978 17 Y HN 0.853 nan 8.280 nan 0.000 0.513 18 A N 0.006 123.077 122.820 0.417 0.000 1.902 18 A HA -0.188 4.132 4.320 0.000 0.000 0.217 18 A C 1.998 179.685 177.584 0.171 0.000 1.181 18 A CA 1.954 54.144 52.037 0.255 0.000 0.623 18 A CB -0.721 18.432 19.000 0.254 0.000 0.818 18 A HN 0.383 nan 8.150 nan 0.000 0.443 19 D N -1.690 118.816 120.400 0.177 0.000 2.149 19 D HA -0.170 4.470 4.640 0.000 0.000 0.198 19 D C 1.671 177.982 176.300 0.017 0.000 0.990 19 D CA 1.622 55.700 54.000 0.131 0.000 0.839 19 D CB -0.365 40.531 40.800 0.161 0.000 0.948 19 D HN 0.634 nan 8.370 nan 0.000 0.460 20 Y N -0.526 119.705 120.300 -0.116 0.000 2.184 20 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 20 Y C 1.944 177.624 175.900 -0.366 0.000 1.129 20 Y CA 1.399 59.314 58.100 -0.308 0.000 1.144 20 Y CB -0.451 37.758 38.460 -0.420 0.000 0.995 20 Y HN -0.057 nan 8.280 nan 0.000 0.513 21 W N -0.353 120.962 121.300 0.024 0.000 2.770 21 W HA 0.096 4.756 4.660 0.000 0.000 0.256 21 W C 2.485 178.901 176.519 -0.171 0.000 1.291 21 W CA 0.870 58.135 57.345 -0.134 0.000 1.396 21 W CB -0.402 28.775 29.460 -0.471 0.000 1.114 21 W HN 0.131 nan 8.180 nan 0.000 0.637 22 A N 0.807 123.651 122.820 0.040 0.000 1.884 22 A HA -0.203 4.117 4.320 0.000 0.000 0.219 22 A C 2.262 179.853 177.584 0.012 0.000 1.197 22 A CA 2.305 54.362 52.037 0.033 0.000 0.637 22 A CB -1.512 17.511 19.000 0.037 0.000 0.827 22 A HN 0.323 nan 8.150 nan 0.000 0.450 23 G N -1.060 107.711 108.800 -0.048 0.000 2.443 23 G HA2 -0.098 3.862 3.960 0.000 0.000 0.219 23 G HA3 -0.098 3.862 3.960 0.000 0.000 0.219 23 G C 1.323 176.198 174.900 -0.041 0.000 1.131 23 G CA 0.920 45.984 45.100 -0.060 0.000 0.775 23 G HN 0.500 nan 8.290 nan 0.000 0.547 24 E N 0.344 120.522 120.200 -0.036 0.000 2.152 24 E HA 0.037 4.388 4.350 0.000 0.000 0.192 24 E C 2.262 178.960 176.600 0.164 0.000 0.983 24 E CA 0.482 56.924 56.400 0.070 0.000 0.818 24 E CB -0.085 29.727 29.700 0.186 0.000 0.758 24 E HN 0.462 nan 8.360 nan 0.000 0.467 25 L N -0.482 120.840 121.223 0.164 0.000 2.640 25 L HA 0.287 4.627 4.340 0.000 0.000 0.230 25 L C 0.933 177.850 176.870 0.077 0.000 1.123 25 L CA 0.130 55.049 54.840 0.131 0.000 0.900 25 L CB 0.114 42.256 42.059 0.138 0.000 1.146 25 L HN 0.085 nan 8.230 nan 0.000 0.484 26 G N 0.643 109.476 108.800 0.056 0.000 2.295 26 G HA2 -0.214 3.746 3.960 0.000 0.000 0.287 26 G HA3 -0.214 3.746 3.960 0.000 0.000 0.287 26 G C 0.146 175.070 174.900 0.041 0.000 1.055 26 G CA 0.168 45.290 45.100 0.036 0.000 0.922 26 G HN 0.344 nan 8.290 nan 0.000 0.503 27 Q N -0.943 118.885 119.800 0.047 0.000 3.274 27 Q HA 0.795 5.135 4.340 0.000 0.000 0.303 27 Q C 0.480 176.507 176.000 0.046 0.000 1.005 27 Q CA 0.038 55.873 55.803 0.053 0.000 0.831 27 Q CB 1.398 30.180 28.738 0.073 0.000 1.538 27 Q HN 0.864 nan 8.270 nan 0.000 0.481 28 S N -1.319 114.414 115.700 0.055 0.000 2.600 28 S HA 0.481 4.951 4.470 0.000 0.000 0.300 28 S C 0.575 175.218 174.600 0.073 0.000 1.087 28 S CA -0.703 57.529 58.200 0.053 0.000 0.965 28 S CB 2.611 65.840 63.200 0.047 0.000 1.089 28 S HN 0.678 nan 8.310 nan 0.000 0.496 29 R N 0.631 121.179 120.500 0.080 0.000 2.096 29 R HA -0.156 4.184 4.340 0.000 0.000 0.240 29 R C 0.920 177.286 176.300 0.110 0.000 1.139 29 R CA 2.328 58.491 56.100 0.106 0.000 0.952 29 R CB -0.650 29.722 30.300 0.120 0.000 0.854 29 R HN 0.785 nan 8.270 nan 0.000 0.436 30 D N -0.190 120.263 120.400 0.089 0.000 2.144 30 D HA -0.130 4.510 4.640 0.000 0.000 0.199 30 D C 1.870 178.222 176.300 0.086 0.000 0.984 30 D CA 1.140 55.189 54.000 0.082 0.000 0.834 30 D CB -0.039 40.798 40.800 0.062 0.000 0.955 30 D HN 0.150 nan 8.370 nan 0.000 0.465 31 V N 0.999 120.965 119.914 0.087 0.000 2.626 31 V HA -0.132 3.988 4.120 0.000 0.000 0.252 31 V C 2.247 178.419 176.094 0.128 0.000 1.067 31 V CA 0.856 63.212 62.300 0.092 0.000 1.081 31 V CB -0.172 31.701 31.823 0.083 0.000 0.686 31 V HN 0.217 nan 8.190 nan 0.000 0.468 32 L N -0.521 120.797 121.223 0.159 0.000 2.591 32 L HA 0.212 4.553 4.340 0.000 0.000 0.228 32 L C 0.250 177.281 176.870 0.270 0.000 1.133 32 L CA 0.371 55.369 54.840 0.263 0.000 0.880 32 L CB -0.036 42.161 42.059 0.230 0.000 1.033 32 L HN 0.238 nan 8.230 nan 0.000 0.450 33 L N 0.088 121.412 121.223 0.169 0.000 2.313 33 L HA 0.637 4.977 4.340 0.000 0.000 0.283 33 L C 0.100 177.017 176.870 0.078 0.000 1.013 33 L CA -0.333 54.586 54.840 0.131 0.000 0.816 33 L CB 1.765 43.896 42.059 0.119 0.000 1.236 33 L HN -0.050 nan 8.230 nan 0.000 0.419 41 R N -0.259 120.224 120.500 -0.028 0.000 2.888 41 R HA 0.864 5.205 4.340 0.000 0.000 0.266 41 R C -0.531 175.757 176.300 -0.021 0.000 1.020 41 R CA -0.955 55.131 56.100 -0.023 0.000 0.963 41 R CB 1.485 31.774 30.300 -0.019 0.000 1.197 41 R HN 0.340 nan 8.270 nan 0.000 0.481 42 A N 0.507 123.311 122.820 -0.028 0.000 2.546 42 A HA 0.403 4.723 4.320 0.000 0.000 0.243 42 A C 1.328 178.885 177.584 -0.045 0.000 1.063 42 A CA 0.994 53.007 52.037 -0.040 0.000 0.757 42 A CB -0.704 18.265 19.000 -0.053 0.000 0.991 42 A HN 1.365 nan 8.150 nan 0.000 0.503 43 G N 2.010 110.782 108.800 -0.047 0.000 2.254 43 G HA2 -0.183 3.777 3.960 0.000 0.000 0.225 43 G HA3 -0.183 3.777 3.960 0.000 0.000 0.225 43 G C 0.011 175.028 174.900 0.195 0.000 1.003 43 G CA 0.279 45.363 45.100 -0.027 0.000 0.622 43 G HN 0.806 nan 8.290 nan 0.000 0.507 44 D N 0.859 121.322 120.400 0.105 0.000 2.341 44 D HA 0.586 5.227 4.640 0.000 0.000 0.245 44 D C 0.908 177.256 176.300 0.079 0.000 1.106 44 D CA 0.094 54.142 54.000 0.079 0.000 0.905 44 D CB 1.035 41.836 40.800 0.001 0.000 1.202 44 D HN 0.349 nan 8.370 nan 0.000 0.426 45 L N 1.059 122.287 121.223 0.008 0.000 2.334 45 L HA 0.262 4.602 4.340 0.000 0.000 0.270 45 L C 0.372 177.074 176.870 -0.281 0.000 1.018 45 L CA -0.924 53.867 54.840 -0.082 0.000 0.811 45 L CB 1.266 43.320 42.059 -0.008 0.000 1.271 45 L HN 0.238 nan 8.230 nan 0.000 0.443 46 D N 1.533 121.673 120.400 -0.434 0.000 2.483 46 D HA 0.248 4.888 4.640 0.000 0.000 0.220 46 D C 0.381 176.042 176.300 -1.065 0.000 1.173 46 D CA -0.177 53.503 54.000 -0.533 0.000 0.964 46 D CB 1.307 41.863 40.800 -0.406 0.000 1.046 46 D HN 0.565 nan 8.370 nan 0.000 0.517 47 A N 2.809 125.079 122.820 -0.916 0.000 2.379 47 A HA 0.495 4.815 4.320 0.000 0.000 0.236 47 A C 1.166 178.431 177.584 -0.532 0.000 1.272 47 A CA 0.128 51.538 52.037 -1.046 0.000 0.886 47 A CB 0.208 18.961 19.000 -0.411 0.000 0.962 47 A HN 0.506 nan 8.150 nan 0.000 0.504 48 G N -0.984 107.529 108.800 -0.478 0.000 2.714 48 G HA2 0.455 4.415 3.960 0.000 0.000 0.197 48 G HA3 0.455 4.415 3.960 0.000 0.000 0.197 48 G C 0.719 175.373 174.900 -0.410 0.000 1.449 48 G CA -0.292 44.610 45.100 -0.329 0.000 1.065 48 G HN 0.052 nan 8.290 nan 0.000 0.575 49 M N -1.181 118.220 119.600 -0.333 0.000 2.313 49 M HA 0.406 4.886 4.480 0.000 0.000 0.212 49 M C 1.101 177.014 176.300 -0.645 0.000 1.217 49 M CA 0.318 55.370 55.300 -0.414 0.000 1.875 49 M CB -0.909 31.644 32.600 -0.078 0.000 1.110 49 M HN 0.327 nan 8.290 nan 0.000 0.905 50 F N 0.093 120.006 119.950 -0.061 0.000 2.647 50 F HA 0.191 4.718 4.527 0.000 0.000 0.300 50 F C -0.064 175.777 175.800 0.068 0.000 1.106 50 F CA -0.959 57.038 58.000 -0.006 0.000 1.313 50 F CB -0.348 38.718 39.000 0.110 0.000 1.007 50 F HN 0.313 nan 8.300 nan 0.000 0.536 51 D N 0.905 121.366 120.400 0.101 0.000 2.378 51 D HA 0.263 4.903 4.640 0.000 0.000 0.238 51 D C 0.443 176.786 176.300 0.071 0.000 1.180 51 D CA 0.046 54.102 54.000 0.093 0.000 0.895 51 D CB 0.669 41.482 40.800 0.020 0.000 1.192 51 D HN 0.174 nan 8.370 nan 0.000 0.438 52 A N 1.080 123.937 122.820 0.061 0.000 2.573 52 A HA 0.066 4.386 4.320 0.000 0.000 0.250 52 A C 0.189 177.716 177.584 -0.095 0.000 1.049 52 A CA -0.339 51.673 52.037 -0.042 0.000 0.767 52 A CB -0.147 18.694 19.000 -0.265 0.000 0.965 52 A HN 0.426 nan 8.150 nan 0.000 0.514 53 V N 4.230 124.107 119.914 -0.063 0.000 2.382 53 V HA 0.056 4.176 4.120 0.000 0.000 0.250 53 V C 1.134 177.153 176.094 -0.126 0.000 1.069 53 V CA 1.127 63.367 62.300 -0.100 0.000 1.130 53 V CB -0.116 31.668 31.823 -0.065 0.000 1.165 53 V HN 0.852 nan 8.190 nan 0.000 0.483 54 S N 7.249 122.874 115.700 -0.125 0.000 2.567 54 S HA 0.458 4.928 4.470 0.000 0.000 0.262 54 S C 0.203 174.749 174.600 -0.091 0.000 1.237 54 S CA -0.945 57.188 58.200 -0.111 0.000 1.093 54 S CB -0.219 62.922 63.200 -0.099 0.000 1.095 54 S HN 0.853 nan 8.310 nan 0.000 0.489 55 R N 2.013 122.459 120.500 -0.089 0.000 2.828 55 R HA 0.844 5.184 4.340 0.000 0.000 0.264 55 R C -0.403 175.859 176.300 -0.064 0.000 1.022 55 R CA -1.026 55.029 56.100 -0.076 0.000 1.021 55 R CB 0.930 31.182 30.300 -0.081 0.000 1.163 55 R HN 0.369 nan 8.270 nan 0.000 0.494 56 A N 0.818 123.609 122.820 -0.049 0.000 2.409 56 A HA 0.472 4.792 4.320 0.000 0.000 0.262 56 A C -0.133 177.426 177.584 -0.042 0.000 1.113 56 A CA 0.080 52.094 52.037 -0.039 0.000 0.790 56 A CB 0.650 19.633 19.000 -0.029 0.000 1.046 56 A HN 0.780 nan 8.150 nan 0.000 0.496 57 T N 0.063 114.586 114.554 -0.051 0.000 2.775 57 T HA 0.363 4.713 4.350 0.000 0.000 0.320 57 T C 0.826 175.462 174.700 -0.106 0.000 1.597 57 T CA -0.026 62.022 62.100 -0.086 0.000 1.022 57 T CB 0.390 69.114 68.868 -0.241 0.000 1.485 57 T HN 0.865 nan 8.240 nan 0.000 0.494 58 H N 1.017 120.049 119.070 -0.063 0.000 2.428 58 H HA 0.226 4.782 4.556 0.000 0.000 0.296 58 H C 1.640 176.975 175.328 0.011 0.000 1.062 58 H CA 1.690 57.693 56.048 -0.074 0.000 1.350 58 H CB -0.318 29.307 29.762 -0.229 0.000 1.403 58 H HN 1.301 nan 8.280 nan 0.000 0.533 59 G N 0.277 108.807 108.800 -0.450 0.000 2.231 59 G HA2 -0.249 3.711 3.960 0.000 0.000 0.206 59 G HA3 -0.249 3.711 3.960 0.000 0.000 0.206 59 G C 0.951 175.927 174.900 0.126 0.000 0.996 59 G CA 0.228 45.281 45.100 -0.078 0.000 0.645 59 G HN 0.605 nan 8.290 nan 0.000 0.498 60 H N 0.330 119.422 119.070 0.038 0.000 2.387 60 H HA 0.037 4.593 4.556 0.000 0.000 0.299 60 H C 2.819 178.253 175.328 0.177 0.000 1.090 60 H CA 0.795 56.990 56.048 0.245 0.000 1.332 60 H CB 0.127 30.139 29.762 0.418 0.000 1.386 60 H HN 0.428 nan 8.280 nan 0.000 0.516 61 G N 0.479 109.361 108.800 0.137 0.000 2.421 61 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 61 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 61 G C 1.904 176.820 174.900 0.027 0.000 1.143 61 G CA 0.583 45.710 45.100 0.044 0.000 0.784 61 G HN 0.437 nan 8.290 nan 0.000 0.541 62 A N 0.751 123.582 122.820 0.019 0.000 1.902 62 A HA 0.012 4.332 4.320 0.000 0.000 0.217 62 A C 2.126 179.747 177.584 0.062 0.000 1.181 62 A CA 1.613 53.660 52.037 0.017 0.000 0.623 62 A CB -0.582 18.423 19.000 0.007 0.000 0.818 62 A HN 0.451 nan 8.150 nan 0.000 0.443 63 F N 0.853 120.822 119.950 0.032 0.000 2.095 63 F HA -0.189 4.338 4.527 0.000 0.000 0.298 63 F C 2.341 178.223 175.800 0.136 0.000 1.104 63 F CA 2.012 60.036 58.000 0.039 0.000 1.232 63 F CB -0.308 38.765 39.000 0.121 0.000 0.987 63 F HN 0.126 nan 8.300 nan 0.000 0.475 64 R N -0.049 120.520 120.500 0.115 0.000 2.096 64 R HA -0.164 4.176 4.340 0.000 0.000 0.235 64 R C 2.174 178.565 176.300 0.151 0.000 1.127 64 R CA 1.892 58.046 56.100 0.090 0.000 0.968 64 R CB -0.543 29.700 30.300 -0.096 0.000 0.861 64 R HN 0.481 nan 8.270 nan 0.000 0.440 65 Q N 0.451 120.299 119.800 0.079 0.000 2.389 65 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 65 Q C 1.984 178.096 176.000 0.185 0.000 0.944 65 Q CA 0.761 56.716 55.803 0.254 0.000 0.908 65 Q CB 0.195 28.997 28.738 0.107 0.000 1.002 65 Q HN 0.492 nan 8.270 nan 0.000 0.493 66 Q N -0.111 119.611 119.800 -0.131 0.000 2.364 66 Q HA -0.157 4.183 4.340 0.000 0.000 0.209 66 Q C 1.035 176.814 176.000 -0.368 0.000 0.977 66 Q CA 1.154 56.768 55.803 -0.315 0.000 0.885 66 Q CB -0.170 28.239 28.738 -0.549 0.000 0.941 66 Q HN 0.297 nan 8.270 nan 0.000 0.464 67 F N 1.006 120.920 119.950 -0.061 0.000 2.118 67 F HA -0.008 4.519 4.527 0.000 0.000 0.293 67 F C 2.515 178.339 175.800 0.041 0.000 1.102 67 F CA 1.015 59.009 58.000 -0.009 0.000 1.247 67 F CB -0.031 38.946 39.000 -0.037 0.000 1.017 67 F HN 0.060 nan 8.300 nan 0.000 0.475 68 Q N -1.499 118.373 119.800 0.120 0.000 2.352 68 Q HA 0.117 4.457 4.340 0.000 0.000 0.212 68 Q C -0.726 174.921 176.000 -0.588 0.000 0.888 68 Q CA 0.356 56.023 55.803 -0.227 0.000 0.934 68 Q CB 0.489 28.955 28.738 -0.454 0.000 1.093 68 Q HN 0.345 nan 8.270 nan 0.000 0.523 69 Y N -0.387 119.883 120.300 -0.049 0.000 2.528 69 Y HA 0.569 5.119 4.550 0.000 0.000 0.335 69 Y C 0.055 175.876 175.900 -0.132 0.000 1.093 69 Y CA -1.397 56.639 58.100 -0.105 0.000 1.134 69 Y CB 1.114 39.565 38.460 -0.016 0.000 1.253 69 Y HN -0.171 nan 8.280 nan 0.000 0.478 70 A N 2.065 124.902 122.820 0.028 0.000 2.343 70 A HA 0.593 4.913 4.320 0.000 0.000 0.305 70 A C -0.930 176.720 177.584 0.109 0.000 1.308 70 A CA -0.334 51.704 52.037 0.002 0.000 0.949 70 A CB -0.776 18.198 19.000 -0.042 0.000 1.148 70 A HN 0.497 nan 8.150 nan 0.000 0.545 71 V N 3.029 122.976 119.914 0.054 0.000 2.680 71 V HA 0.475 4.595 4.120 0.000 0.000 0.309 71 V C -0.087 176.011 176.094 0.007 0.000 1.052 71 V CA -0.614 61.712 62.300 0.042 0.000 0.908 71 V CB 1.895 33.712 31.823 -0.010 0.000 1.001 71 V HN 0.952 nan 8.190 nan 0.000 0.431 72 E N 1.767 121.971 120.200 0.006 0.000 2.266 72 E HA 0.714 5.064 4.350 0.000 0.000 0.268 72 E C -1.393 175.148 176.600 -0.098 0.000 0.879 72 E CA -0.701 55.672 56.400 -0.045 0.000 0.762 72 E CB 2.766 32.483 29.700 0.029 0.000 1.199 72 E HN 0.606 nan 8.360 nan 0.000 0.422 73 V N 0.169 119.974 119.914 -0.182 0.000 2.823 73 V HA 0.682 4.802 4.120 0.000 0.000 0.312 73 V C -1.032 174.970 176.094 -0.154 0.000 1.072 73 V CA -1.063 61.137 62.300 -0.167 0.000 0.937 73 V CB 1.633 33.335 31.823 -0.202 0.000 1.013 73 V HN 0.525 nan 8.190 nan 0.000 0.430 74 L N 3.168 124.386 121.223 -0.008 0.000 2.346 74 L HA 1.044 5.384 4.340 0.000 0.000 0.276 74 L C 0.204 177.202 176.870 0.213 0.000 1.006 74 L CA 0.372 55.254 54.840 0.070 0.000 0.817 74 L CB 1.520 43.591 42.059 0.020 0.000 1.272 74 L HN 1.189 nan 8.230 nan 0.000 0.421 75 G N 3.015 111.990 108.800 0.293 0.000 2.642 75 G HA2 0.592 4.552 3.960 0.000 0.000 0.293 75 G HA3 0.592 4.552 3.960 0.000 0.000 0.293 75 G C -1.624 173.338 174.900 0.105 0.000 1.341 75 G CA -0.584 44.633 45.100 0.195 0.000 0.916 75 G HN 0.568 nan 8.290 nan 0.000 0.474 76 E N 0.520 120.769 120.200 0.081 0.000 2.191 76 E HA 0.249 4.599 4.350 0.000 0.000 0.274 76 E C -0.305 176.365 176.600 0.115 0.000 0.948 76 E CA -0.837 55.631 56.400 0.113 0.000 0.802 76 E CB 2.456 32.170 29.700 0.025 0.000 1.137 76 E HN 0.438 nan 8.360 nan 0.000 0.397 77 K N 2.097 122.586 120.400 0.148 0.000 2.511 77 K HA 0.005 4.325 4.320 0.000 0.000 0.280 77 K C -0.599 175.869 176.600 -0.220 0.000 1.008 77 K CA -0.092 56.054 56.287 -0.235 0.000 1.050 77 K CB 0.453 32.863 32.500 -0.150 0.000 0.889 77 K HN 0.243 nan 8.250 nan 0.000 0.484 78 V N 7.253 126.974 119.914 -0.321 0.000 2.488 78 V HA 0.031 4.151 4.120 0.000 0.000 0.277 78 V C 1.224 177.243 176.094 -0.124 0.000 1.046 78 V CA -0.049 62.151 62.300 -0.166 0.000 0.986 78 V CB 1.185 32.927 31.823 -0.135 0.000 0.989 78 V HN 0.806 nan 8.190 nan 0.000 0.475 79 L N 3.633 124.823 121.223 -0.055 0.000 2.425 79 L HA 0.263 4.603 4.340 0.000 0.000 0.215 79 L C 0.766 177.617 176.870 -0.031 0.000 1.065 79 L CA 0.549 55.361 54.840 -0.046 0.000 0.842 79 L CB 0.573 42.616 42.059 -0.027 0.000 1.033 79 L HN 0.826 nan 8.230 nan 0.000 0.474 80 S N 0.002 115.701 115.700 -0.002 0.000 2.567 80 S HA 0.565 5.035 4.470 0.000 0.000 0.270 80 S C -1.217 173.383 174.600 0.000 0.000 1.152 80 S CA -0.912 57.280 58.200 -0.013 0.000 0.835 80 S CB 2.374 65.567 63.200 -0.011 0.000 1.115 80 S HN 0.219 nan 8.310 nan 0.000 0.459 81 K N 0.492 120.853 120.400 -0.064 0.000 2.551 81 K HA 0.665 4.985 4.320 0.000 0.000 0.269 81 K C -1.749 174.792 176.600 -0.098 0.000 0.949 81 K CA -0.891 55.307 56.287 -0.148 0.000 0.849 81 K CB 1.713 34.005 32.500 -0.346 0.000 1.411 81 K HN 0.875 nan 8.250 nan 0.000 0.432 82 Q N 1.012 120.779 119.800 -0.055 0.000 2.359 82 Q HA 0.347 4.687 4.340 0.000 0.000 0.274 82 Q C -1.347 174.743 176.000 0.149 0.000 1.074 82 Q CA -1.000 54.826 55.803 0.039 0.000 0.810 82 Q CB 2.567 31.313 28.738 0.012 0.000 1.342 82 Q HN 0.711 nan 8.270 nan 0.000 0.427 83 E N 1.286 121.615 120.200 0.215 0.000 2.301 83 E HA 0.387 4.737 4.350 0.000 0.000 0.275 83 E C -1.048 175.546 176.600 -0.009 0.000 1.030 83 E CA 0.039 56.537 56.400 0.163 0.000 0.852 83 E CB 1.588 31.392 29.700 0.174 0.000 1.060 83 E HN 0.664 nan 8.360 nan 0.000 0.401 84 T N 2.197 116.686 114.554 -0.109 0.000 2.647 84 T HA 0.343 4.694 4.350 0.000 0.000 0.295 84 T C -1.477 173.140 174.700 -0.139 0.000 1.126 84 T CA -0.626 61.421 62.100 -0.090 0.000 1.040 84 T CB 1.336 70.171 68.868 -0.055 0.000 1.472 84 T HN 0.510 nan 8.240 nan 0.000 0.500 85 E N 1.174 121.315 120.200 -0.098 0.000 2.256 85 E HA 0.436 4.786 4.350 0.000 0.000 0.267 85 E C -1.034 175.522 176.600 -0.074 0.000 0.892 85 E CA -0.876 55.464 56.400 -0.101 0.000 0.775 85 E CB 1.644 31.299 29.700 -0.075 0.000 1.207 85 E HN 0.752 nan 8.360 nan 0.000 0.420 86 D N 0.293 120.650 120.400 -0.072 0.000 2.440 86 D HA 0.077 4.717 4.640 0.000 0.000 0.269 86 D C 0.679 176.959 176.300 -0.033 0.000 1.249 86 D CA -0.374 53.601 54.000 -0.042 0.000 1.055 86 D CB 0.218 41.002 40.800 -0.026 0.000 1.104 86 D HN 0.162 nan 8.370 nan 0.000 0.561 87 S N -1.499 114.188 115.700 -0.022 0.000 2.400 87 S HA -0.173 4.297 4.470 0.000 0.000 0.232 87 S C 1.656 176.244 174.600 -0.019 0.000 1.025 87 S CA 1.135 59.324 58.200 -0.020 0.000 0.993 87 S CB -0.380 62.810 63.200 -0.016 0.000 0.808 87 S HN 0.505 nan 8.310 nan 0.000 0.478 88 R N 0.232 120.720 120.500 -0.019 0.000 2.310 88 R HA 0.129 4.469 4.340 0.000 0.000 0.202 88 R C 1.124 177.409 176.300 -0.024 0.000 0.933 88 R CA 0.667 56.756 56.100 -0.018 0.000 1.054 88 R CB -0.061 30.231 30.300 -0.013 0.000 0.985 88 R HN 0.450 nan 8.270 nan 0.000 0.489 89 G N 1.080 109.860 108.800 -0.033 0.000 2.157 89 G HA2 -0.266 3.694 3.960 0.000 0.000 0.239 89 G HA3 -0.266 3.694 3.960 0.000 0.000 0.239 89 G C -0.247 174.621 174.900 -0.054 0.000 0.982 89 G CA -0.146 44.931 45.100 -0.039 0.000 0.650 89 G HN 0.306 nan 8.290 nan 0.000 0.527 90 R N 0.387 120.850 120.500 -0.063 0.000 2.459 90 R HA 0.474 4.815 4.340 0.000 0.000 0.281 90 R C 0.217 176.432 176.300 -0.141 0.000 1.050 90 R CA -0.732 55.316 56.100 -0.087 0.000 1.055 90 R CB 0.686 30.941 30.300 -0.076 0.000 1.045 90 R HN -0.048 nan 8.270 nan 0.000 0.495 91 K N 3.322 123.605 120.400 -0.195 0.000 2.382 91 K HA 0.070 4.390 4.320 0.000 0.000 0.275 91 K C 0.075 176.391 176.600 -0.473 0.000 1.009 91 K CA 0.321 56.408 56.287 -0.333 0.000 0.970 91 K CB 0.616 32.883 32.500 -0.389 0.000 0.934 91 K HN 0.662 nan 8.250 nan 0.000 0.479 92 K N 0.375 120.435 120.400 -0.567 0.000 2.522 92 K HA 0.578 4.898 4.320 0.000 0.000 0.275 92 K C -1.202 174.996 176.600 -0.670 0.000 1.006 92 K CA -1.070 54.861 56.287 -0.593 0.000 0.890 92 K CB 1.124 33.499 32.500 -0.209 0.000 1.475 92 K HN 0.392 nan 8.250 nan 0.000 0.441 93 W N 0.405 121.660 121.300 -0.075 0.000 2.781 93 W HA 0.497 5.157 4.660 0.000 0.000 0.345 93 W C -0.679 175.640 176.519 -0.334 0.000 1.085 93 W CA -0.607 56.560 57.345 -0.296 0.000 1.198 93 W CB 1.745 30.842 29.460 -0.606 0.000 1.423 93 W HN 0.478 nan 8.180 nan 0.000 0.532 94 E N 0.940 121.064 120.200 -0.127 0.000 2.199 94 E HA 0.467 4.817 4.350 0.000 0.000 0.269 94 E C -1.449 175.051 176.600 -0.167 0.000 0.899 94 E CA -0.869 55.500 56.400 -0.053 0.000 0.772 94 E CB 1.863 31.567 29.700 0.007 0.000 1.155 94 E HN 0.358 nan 8.360 nan 0.000 0.408 95 Y N 0.409 120.756 120.300 0.079 0.000 2.630 95 Y HA 0.444 4.994 4.550 0.000 0.000 0.337 95 Y C -0.132 175.776 175.900 0.013 0.000 1.051 95 Y CA -0.964 57.158 58.100 0.036 0.000 1.121 95 Y CB 1.877 40.352 38.460 0.025 0.000 1.299 95 Y HN 0.400 nan 8.280 nan 0.000 0.498 96 E N 0.844 121.160 120.200 0.194 0.000 2.256 96 E HA 0.529 4.879 4.350 0.000 0.000 0.268 96 E C -1.398 175.239 176.600 0.061 0.000 0.877 96 E CA -0.584 55.870 56.400 0.091 0.000 0.757 96 E CB 1.686 31.415 29.700 0.048 0.000 1.183 96 E HN 0.753 nan 8.360 nan 0.000 0.418 97 T N 0.239 114.809 114.554 0.026 0.000 2.864 97 T HA 0.373 4.723 4.350 0.000 0.000 0.289 97 T C -0.926 173.769 174.700 -0.009 0.000 1.082 97 T CA -0.951 61.143 62.100 -0.011 0.000 1.009 97 T CB 1.650 70.499 68.868 -0.032 0.000 1.234 97 T HN 0.278 nan 8.240 nan 0.000 0.526 98 D N 0.953 121.344 120.400 -0.015 0.000 2.460 98 D HA 0.427 5.067 4.640 0.000 0.000 0.232 98 D C -1.866 174.441 176.300 0.013 0.000 1.079 98 D CA -2.496 51.503 54.000 -0.002 0.000 0.864 98 D CB 1.736 42.533 40.800 -0.006 0.000 1.048 98 D HN 0.158 nan 8.370 nan 0.000 0.523 99 P HA -0.114 nan 4.420 nan 0.000 0.221 99 P C 1.162 178.475 177.300 0.022 0.000 1.145 99 P CA 0.866 63.975 63.100 0.016 0.000 0.795 99 P CB 0.226 31.931 31.700 0.009 0.000 0.775 100 S N -2.160 113.553 115.700 0.021 0.000 2.522 100 S HA 0.034 4.504 4.470 0.000 0.000 0.227 100 S C 0.719 175.341 174.600 0.036 0.000 0.986 100 S CA 0.103 58.317 58.200 0.022 0.000 0.929 100 S CB -0.685 62.525 63.200 0.016 0.000 0.769 100 S HN -0.106 nan 8.310 nan 0.000 0.529 101 V N 3.223 123.171 119.914 0.057 0.000 2.304 101 V HA 0.527 4.647 4.120 0.000 0.000 0.278 101 V C 0.203 176.386 176.094 0.148 0.000 1.018 101 V CA -0.260 62.099 62.300 0.098 0.000 0.814 101 V CB 0.705 32.595 31.823 0.111 0.000 1.021 101 V HN 0.613 nan 8.190 nan 0.000 0.440 102 T N 1.796 116.393 114.554 0.071 0.000 2.930 102 T HA 0.900 5.250 4.350 0.000 0.000 0.290 102 T C -0.755 173.846 174.700 -0.165 0.000 1.052 102 T CA -0.961 61.139 62.100 -0.001 0.000 1.017 102 T CB 2.792 71.662 68.868 0.002 0.000 1.137 102 T HN 0.412 nan 8.240 nan 0.000 0.511 103 K N 0.584 120.804 120.400 -0.300 0.000 2.527 103 K HA 0.632 4.952 4.320 0.000 0.000 0.260 103 K C -1.596 174.960 176.600 -0.074 0.000 0.937 103 K CA -0.847 55.253 56.287 -0.313 0.000 0.826 103 K CB 2.174 34.199 32.500 -0.791 0.000 1.359 103 K HN 0.761 nan 8.250 nan 0.000 0.434 104 M N 5.197 124.750 119.600 -0.079 0.000 2.259 104 M HA 0.535 5.015 4.480 0.000 0.000 0.304 104 M C -1.508 174.699 176.300 -0.154 0.000 1.019 104 M CA -0.860 54.382 55.300 -0.097 0.000 0.922 104 M CB 1.178 33.739 32.600 -0.066 0.000 1.600 104 M HN 0.534 nan 8.290 nan 0.000 0.433 105 V N 3.185 122.924 119.914 -0.292 0.000 3.130 105 V HA 0.702 4.822 4.120 0.000 0.000 0.310 105 V C -0.588 175.353 176.094 -0.255 0.000 1.158 105 V CA -1.189 60.945 62.300 -0.276 0.000 1.029 105 V CB 2.026 33.620 31.823 -0.382 0.000 1.057 105 V HN 0.902 nan 8.190 nan 0.000 0.436 106 R N 1.135 121.530 120.500 -0.174 0.000 2.410 106 R HA 0.771 5.111 4.340 0.000 0.000 0.288 106 R C -0.246 175.955 176.300 -0.165 0.000 1.051 106 R CA 0.034 56.053 56.100 -0.136 0.000 1.021 106 R CB 1.674 31.920 30.300 -0.091 0.000 1.032 106 R HN 1.091 nan 8.270 nan 0.000 0.481 107 A N 1.626 124.353 122.820 -0.155 0.000 2.291 107 A HA 0.496 4.816 4.320 0.000 0.000 0.311 107 A C -0.674 176.813 177.584 -0.162 0.000 1.224 107 A CA -0.415 51.524 52.037 -0.164 0.000 0.821 107 A CB 1.483 20.383 19.000 -0.166 0.000 1.172 107 A HN 0.535 nan 8.150 nan 0.000 0.494 108 S N 0.872 116.470 115.700 -0.170 0.000 2.543 108 S HA 0.797 5.267 4.470 0.000 0.000 0.271 108 S C -0.902 173.577 174.600 -0.201 0.000 1.148 108 S CA 0.280 58.370 58.200 -0.183 0.000 0.914 108 S CB 1.400 64.539 63.200 -0.101 0.000 1.096 108 S HN 2.152 nan 8.310 nan 0.000 0.471 109 A N 2.431 125.076 122.820 -0.292 0.000 2.572 109 A HA 0.830 5.150 4.320 0.000 0.000 0.295 109 A C -0.941 176.689 177.584 0.078 0.000 1.072 109 A CA -0.675 51.247 52.037 -0.193 0.000 0.691 109 A CB 1.874 20.472 19.000 -0.670 0.000 1.291 109 A HN 0.727 nan 8.150 nan 0.000 0.404 110 S N 1.010 116.876 115.700 0.276 0.000 2.448 110 S HA 0.462 4.932 4.470 0.000 0.000 0.320 110 S C -0.555 174.316 174.600 0.451 0.000 1.071 110 S CA -0.261 58.139 58.200 0.334 0.000 1.113 110 S CB 0.156 63.480 63.200 0.206 0.000 0.972 110 S HN 0.664 nan 8.310 nan 0.000 0.465 111 F N 3.848 124.019 119.950 0.369 0.000 2.578 111 F HA 0.146 4.673 4.527 0.000 0.000 0.376 111 F C 1.200 177.060 175.800 0.100 0.000 1.085 111 F CA 0.421 58.547 58.000 0.210 0.000 1.260 111 F CB 0.647 39.597 39.000 -0.083 0.000 1.095 111 F HN 0.515 nan 8.300 nan 0.000 0.573 112 Q N 3.445 122.777 119.800 -0.781 0.000 2.499 112 Q HA 0.193 4.533 4.340 0.000 0.000 0.213 112 Q C -0.440 174.948 176.000 -1.019 0.000 0.929 112 Q CA 1.059 56.472 55.803 -0.650 0.000 0.904 112 Q CB 0.119 28.679 28.738 -0.296 0.000 1.052 112 Q HN 0.897 nan 8.270 nan 0.000 0.589 113 D N -1.781 117.892 120.400 -1.212 0.000 2.808 113 D HA 0.266 4.906 4.640 0.000 0.000 0.294 113 D C -1.445 174.759 176.300 -0.160 0.000 1.278 113 D CA -0.727 52.879 54.000 -0.657 0.000 0.756 113 D CB 0.516 41.161 40.800 -0.259 0.000 1.271 113 D HN -0.065 nan 8.370 nan 0.000 0.425 114 L N 1.259 122.542 121.223 0.101 0.000 2.257 114 L HA 0.719 5.059 4.340 0.000 0.000 0.290 114 L C 0.626 177.521 176.870 0.042 0.000 1.044 114 L CA 0.186 55.091 54.840 0.108 0.000 0.810 114 L CB 0.720 42.807 42.059 0.047 0.000 1.193 114 L HN 0.687 nan 8.230 nan 0.000 0.425 115 G N 3.193 112.020 108.800 0.044 0.000 2.636 115 G HA2 0.093 4.053 3.960 0.000 0.000 0.246 115 G HA3 0.093 4.053 3.960 0.000 0.000 0.246 115 G C 0.540 175.467 174.900 0.044 0.000 1.216 115 G CA -0.376 44.742 45.100 0.031 0.000 0.854 115 G HN 0.751 nan 8.290 nan 0.000 0.572 116 E N 0.548 120.771 120.200 0.038 0.000 2.209 116 E HA -0.151 4.199 4.350 0.000 0.000 0.196 116 E C 1.835 178.471 176.600 0.060 0.000 0.993 116 E CA 1.406 57.833 56.400 0.046 0.000 0.819 116 E CB 0.023 29.744 29.700 0.034 0.000 0.745 116 E HN 0.733 nan 8.360 nan 0.000 0.477 117 D N -0.722 119.712 120.400 0.057 0.000 2.349 117 D HA 0.019 4.659 4.640 0.000 0.000 0.224 117 D C 1.254 177.610 176.300 0.094 0.000 1.029 117 D CA 0.764 54.803 54.000 0.065 0.000 0.879 117 D CB -0.124 40.707 40.800 0.052 0.000 0.906 117 D HN 0.170 nan 8.370 nan 0.000 0.528 118 G N -0.287 108.579 108.800 0.111 0.000 2.159 118 G HA2 -0.255 3.705 3.960 0.000 0.000 0.256 118 G HA3 -0.255 3.705 3.960 0.000 0.000 0.256 118 G C -0.109 174.881 174.900 0.150 0.000 0.977 118 G CA 0.018 45.215 45.100 0.161 0.000 0.652 118 G HN 0.378 nan 8.290 nan 0.000 0.531 119 E N -0.188 120.086 120.200 0.122 0.000 2.231 119 E HA 0.533 4.883 4.350 0.000 0.000 0.277 119 E C 0.620 177.330 176.600 0.183 0.000 0.999 119 E CA -0.792 55.697 56.400 0.150 0.000 0.827 119 E CB 1.403 31.173 29.700 0.117 0.000 1.101 119 E HN 0.360 nan 8.360 nan 0.000 0.393 120 I N 3.141 123.891 120.570 0.300 0.000 2.452 120 I HA 0.010 4.180 4.170 0.000 0.000 0.287 120 I C 0.515 176.873 176.117 0.401 0.000 1.079 120 I CA -0.068 61.481 61.300 0.414 0.000 1.387 120 I CB 0.279 38.630 38.000 0.585 0.000 1.404 120 I HN -0.069 nan 8.210 nan 0.000 0.522 121 K N 7.766 128.287 120.400 0.202 0.000 2.159 121 K HA 0.670 4.990 4.320 0.000 0.000 0.266 121 K C -0.659 175.989 176.600 0.080 0.000 0.975 121 K CA -0.441 55.841 56.287 -0.008 0.000 0.865 121 K CB 1.741 34.183 32.500 -0.095 0.000 1.087 121 K HN 0.497 nan 8.250 nan 0.000 0.446 122 F N -1.459 118.567 119.950 0.127 0.000 2.817 122 F HA 0.491 5.018 4.527 0.000 0.000 0.317 122 F C -0.850 175.032 175.800 0.137 0.000 1.168 122 F CA -1.297 56.806 58.000 0.172 0.000 0.911 122 F CB 1.090 40.384 39.000 0.491 0.000 1.337 122 F HN 0.466 nan 8.300 nan 0.000 0.464 123 E N 1.527 121.962 120.200 0.392 0.000 2.336 123 E HA 0.796 5.146 4.350 0.000 0.000 0.267 123 E C -1.002 175.797 176.600 0.332 0.000 0.906 123 E CA -1.491 55.060 56.400 0.252 0.000 0.781 123 E CB 2.341 32.110 29.700 0.115 0.000 1.261 123 E HN 0.973 nan 8.360 nan 0.000 0.436 124 A N 1.211 124.173 122.820 0.237 0.000 2.366 124 A HA 0.426 4.746 4.320 0.000 0.000 0.250 124 A C -0.254 177.401 177.584 0.118 0.000 1.099 124 A CA -0.448 51.699 52.037 0.183 0.000 0.794 124 A CB 0.553 19.637 19.000 0.141 0.000 1.056 124 A HN 0.350 nan 8.150 nan 0.000 0.499 125 V N 1.069 121.029 119.914 0.076 0.000 2.588 125 V HA 0.290 4.410 4.120 0.000 0.000 0.304 125 V C -0.060 176.048 176.094 0.024 0.000 1.042 125 V CA -0.644 61.684 62.300 0.048 0.000 0.877 125 V CB 1.575 33.417 31.823 0.032 0.000 0.996 125 V HN 1.059 nan 8.190 nan 0.000 0.425 126 E N 3.468 123.677 120.200 0.015 0.000 2.652 126 E HA 0.288 4.638 4.350 0.000 0.000 0.255 126 E C 1.169 177.760 176.600 -0.014 0.000 0.952 126 E CA 1.567 57.968 56.400 0.001 0.000 0.947 126 E CB 0.175 29.870 29.700 -0.008 0.000 0.912 126 E HN 1.153 nan 8.360 nan 0.000 0.489 127 G N 2.137 110.931 108.800 -0.011 0.000 2.176 127 G HA2 -0.092 3.868 3.960 0.000 0.000 0.253 127 G HA3 -0.092 3.868 3.960 0.000 0.000 0.253 127 G C 0.150 175.032 174.900 -0.030 0.000 0.979 127 G CA 0.173 45.260 45.100 -0.023 0.000 0.641 127 G HN 1.154 nan 8.290 nan 0.000 0.530 128 A N -1.259 121.547 122.820 -0.023 0.000 2.587 128 A HA 0.979 5.299 4.320 0.000 0.000 0.293 128 A C 0.077 177.649 177.584 -0.020 0.000 1.087 128 A CA 0.071 52.083 52.037 -0.042 0.000 0.692 128 A CB 1.540 20.504 19.000 -0.059 0.000 1.291 128 A HN 1.851 nan 8.150 nan 0.000 0.407 129 V N -1.377 118.513 119.914 -0.040 0.000 2.904 129 V HA 0.848 4.968 4.120 0.000 0.000 0.305 129 V C 0.363 176.458 176.094 0.003 0.000 1.067 129 V CA -0.107 62.200 62.300 0.012 0.000 1.044 129 V CB 1.272 33.111 31.823 0.026 0.000 1.050 129 V HN 1.931 nan 8.190 nan 0.000 0.475 130 A N 4.662 127.529 122.820 0.078 0.000 2.277 130 A HA 0.714 5.034 4.320 0.000 0.000 0.318 130 A C -0.253 177.417 177.584 0.143 0.000 1.339 130 A CA -0.701 51.376 52.037 0.067 0.000 0.875 130 A CB 0.029 19.185 19.000 0.259 0.000 1.158 130 A HN 0.933 nan 8.150 nan 0.000 0.514 131 L N 1.797 123.061 121.223 0.068 0.000 2.467 131 L HA 0.404 4.744 4.340 0.000 0.000 0.270 131 L C 1.030 178.134 176.870 0.391 0.000 1.205 131 L CA -0.240 54.735 54.840 0.226 0.000 0.828 131 L CB 0.798 42.992 42.059 0.225 0.000 1.101 131 L HN 0.751 nan 8.230 nan 0.000 0.479 132 A N 1.381 124.405 122.820 0.342 0.000 2.279 132 A HA 0.217 4.537 4.320 0.000 0.000 0.303 132 A C -0.326 177.123 177.584 -0.225 0.000 1.108 132 A CA -0.598 51.600 52.037 0.268 0.000 0.830 132 A CB 0.568 19.702 19.000 0.224 0.000 1.106 132 A HN 0.728 nan 8.150 nan 0.000 0.493 133 D N 0.372 120.359 120.400 -0.687 0.000 2.525 133 D HA 0.015 4.655 4.640 0.000 0.000 0.235 133 D C 0.556 176.484 176.300 -0.620 0.000 1.137 133 D CA 0.880 54.028 54.000 -1.419 0.000 0.868 133 D CB 0.067 40.467 40.800 -0.668 0.000 1.180 133 D HN 0.564 nan 8.370 nan 0.000 0.465 134 R N 0.414 120.578 120.500 -0.560 0.000 3.758 134 R HA -0.203 4.137 4.340 0.000 0.000 0.299 134 R C 0.030 176.233 176.300 -0.162 0.000 1.182 134 R CA 0.636 56.437 56.100 -0.498 0.000 0.809 134 R CB -2.127 27.890 30.300 -0.470 0.000 1.249 134 R HN 0.474 nan 8.270 nan 0.000 0.497 135 A N 0.952 123.790 122.820 0.030 0.000 2.531 135 A HA 0.255 4.575 4.320 0.000 0.000 0.236 135 A C 1.227 179.026 177.584 0.359 0.000 1.062 135 A CA 0.630 52.805 52.037 0.229 0.000 0.760 135 A CB 0.273 19.422 19.000 0.248 0.000 0.995 135 A HN 0.490 nan 8.150 nan 0.000 0.501 136 S N -0.076 115.861 115.700 0.394 0.000 2.666 136 S HA 0.402 4.872 4.470 0.000 0.000 0.239 136 S C 0.366 175.074 174.600 0.180 0.000 1.031 136 S CA 0.409 58.824 58.200 0.358 0.000 1.015 136 S CB -0.473 63.037 63.200 0.516 0.000 0.981 136 S HN 1.797 nan 8.310 nan 0.000 0.547 137 S N 0.745 116.573 115.700 0.214 0.000 2.656 137 S HA 0.859 5.329 4.470 0.000 0.000 0.273 137 S C -1.171 173.565 174.600 0.226 0.000 1.168 137 S CA -1.032 57.210 58.200 0.070 0.000 0.817 137 S CB 1.128 64.280 63.200 -0.080 0.000 1.146 137 S HN 0.778 nan 8.310 nan 0.000 0.475 138 F N -1.258 118.752 119.950 0.100 0.000 2.662 138 F HA 0.850 5.377 4.527 0.000 0.000 0.312 138 F C -1.191 174.693 175.800 0.140 0.000 1.113 138 F CA -1.389 56.680 58.000 0.116 0.000 0.951 138 F CB 1.337 40.395 39.000 0.096 0.000 1.344 138 F HN 0.467 nan 8.300 nan 0.000 0.462 139 M N 2.898 122.692 119.600 0.325 0.000 2.238 139 M HA 0.601 5.081 4.480 0.000 0.000 0.350 139 M C -1.160 175.335 176.300 0.325 0.000 1.138 139 M CA -0.829 54.601 55.300 0.217 0.000 1.040 139 M CB 1.584 34.269 32.600 0.141 0.000 1.639 139 M HN 0.550 nan 8.290 nan 0.000 0.451 140 V N 3.247 123.342 119.914 0.302 0.000 2.447 140 V HA 0.255 4.375 4.120 0.000 0.000 0.292 140 V C -0.457 175.758 176.094 0.201 0.000 1.021 140 V CA -0.738 61.735 62.300 0.288 0.000 0.850 140 V CB 1.629 33.664 31.823 0.354 0.000 1.005 140 V HN 0.917 nan 8.190 nan 0.000 0.426 141 D N 3.818 124.297 120.400 0.131 0.000 2.697 141 D HA -0.186 4.454 4.640 0.000 0.000 0.238 141 D C 1.040 177.380 176.300 0.066 0.000 1.152 141 D CA 1.320 55.373 54.000 0.088 0.000 0.666 141 D CB -0.842 40.009 40.800 0.085 0.000 1.037 141 D HN 0.970 nan 8.370 nan 0.000 0.423 142 S N -2.171 113.564 115.700 0.057 0.000 3.127 142 S HA -0.281 4.189 4.470 0.000 0.000 0.281 142 S C 0.406 174.997 174.600 -0.014 0.000 1.293 142 S CA 1.551 59.764 58.200 0.022 0.000 1.156 142 S CB -0.691 62.516 63.200 0.012 0.000 1.389 142 S HN 0.657 nan 8.310 nan 0.000 0.672 143 E N 0.649 120.843 120.200 -0.010 0.000 2.207 143 E HA 0.494 4.844 4.350 0.000 0.000 0.270 143 E C -0.133 176.334 176.600 -0.223 0.000 0.927 143 E CA -0.562 55.756 56.400 -0.137 0.000 0.799 143 E CB 1.451 31.056 29.700 -0.157 0.000 1.172 143 E HN 0.381 nan 8.360 nan 0.000 0.404 144 E N 2.094 122.056 120.200 -0.396 0.000 2.191 144 E HA 0.305 4.655 4.350 0.000 0.000 0.274 144 E C -1.560 174.591 176.600 -0.749 0.000 0.948 144 E CA -0.521 55.636 56.400 -0.406 0.000 0.802 144 E CB 0.869 30.418 29.700 -0.252 0.000 1.137 144 E HN 0.369 nan 8.360 nan 0.000 0.397 145 Y N 1.842 121.797 120.300 -0.575 0.000 2.406 145 Y HA 0.246 4.796 4.550 0.000 0.000 0.340 145 Y C -0.115 175.399 175.900 -0.644 0.000 0.975 145 Y CA -0.956 56.750 58.100 -0.656 0.000 1.056 145 Y CB 1.757 39.642 38.460 -0.960 0.000 1.210 145 Y HN 0.363 nan 8.280 nan 0.000 0.448 146 K N 4.357 124.546 120.400 -0.352 0.000 2.312 146 K HA 0.378 4.698 4.320 0.000 0.000 0.287 146 K C -0.507 176.009 176.600 -0.140 0.000 1.062 146 K CA -0.257 55.781 56.287 -0.415 0.000 0.934 146 K CB 0.345 32.498 32.500 -0.580 0.000 1.027 146 K HN 0.722 nan 8.250 nan 0.000 0.478 147 I N 4.586 125.151 120.570 -0.009 0.000 2.752 147 I HA -0.142 4.028 4.170 0.000 0.000 0.289 147 I C 1.417 177.559 176.117 0.042 0.000 1.197 147 I CA 0.645 62.022 61.300 0.128 0.000 1.432 147 I CB 0.727 38.824 38.000 0.162 0.000 1.359 147 I HN 0.866 nan 8.210 nan 0.000 0.571 148 T N 1.174 115.757 114.554 0.049 0.000 2.966 148 T HA 0.249 4.599 4.350 0.000 0.000 0.254 148 T C 0.519 175.216 174.700 -0.006 0.000 0.961 148 T CA -0.255 61.852 62.100 0.012 0.000 0.915 148 T CB 0.350 69.224 68.868 0.010 0.000 1.186 148 T HN 0.533 nan 8.240 nan 0.000 0.505 149 N N 0.304 119.002 118.700 -0.003 0.000 2.396 149 N HA 0.626 5.366 4.740 0.000 0.000 0.275 149 N C -1.956 173.527 175.510 -0.045 0.000 1.218 149 N CA -0.404 52.627 53.050 -0.032 0.000 0.812 149 N CB 3.082 41.552 38.487 -0.028 0.000 1.592 149 N HN 0.013 nan 8.380 nan 0.000 0.480 150 V N 0.828 120.700 119.914 -0.070 0.000 2.841 150 V HA 0.475 4.595 4.120 0.000 0.000 0.310 150 V C -0.510 175.529 176.094 -0.091 0.000 1.090 150 V CA -0.732 61.519 62.300 -0.081 0.000 0.930 150 V CB 2.621 34.388 31.823 -0.094 0.000 1.014 150 V HN 0.607 nan 8.190 nan 0.000 0.425 151 K N 2.652 122.992 120.400 -0.099 0.000 2.507 151 K HA 0.756 5.076 4.320 0.000 0.000 0.252 151 K C -1.876 174.620 176.600 -0.173 0.000 0.943 151 K CA -0.436 55.756 56.287 -0.158 0.000 0.808 151 K CB 2.096 34.489 32.500 -0.179 0.000 1.142 151 K HN 0.494 nan 8.250 nan 0.000 0.426 152 V N 5.142 124.964 119.914 -0.154 0.000 2.384 152 V HA 0.265 4.385 4.120 0.000 0.000 0.287 152 V C 0.638 176.696 176.094 -0.061 0.000 1.020 152 V CA -0.663 61.612 62.300 -0.042 0.000 0.850 152 V CB 1.273 33.125 31.823 0.048 0.000 0.987 152 V HN 0.889 nan 8.190 nan 0.000 0.436 153 H N 3.051 122.131 119.070 0.017 0.000 2.520 153 H HA 0.395 4.951 4.556 0.000 0.000 0.279 153 H C 1.062 176.261 175.328 -0.215 0.000 0.990 153 H CA 1.010 57.051 56.048 -0.012 0.000 1.288 153 H CB 1.633 31.371 29.762 -0.041 0.000 1.446 153 H HN 0.831 nan 8.280 nan 0.000 0.538 154 G N 0.220 108.816 108.800 -0.340 0.000 2.367 154 G HA2 0.226 4.186 3.960 0.000 0.000 0.272 154 G HA3 0.226 4.186 3.960 0.000 0.000 0.272 154 G C -1.452 173.239 174.900 -0.348 0.000 1.271 154 G CA -0.853 43.811 45.100 -0.727 0.000 0.893 154 G HN 0.003 nan 8.290 nan 0.000 0.485 155 M N 0.904 120.302 119.600 -0.336 0.000 2.268 155 M HA 0.415 4.896 4.480 0.000 0.000 0.344 155 M C 1.082 177.164 176.300 -0.363 0.000 1.106 155 M CA -0.626 54.465 55.300 -0.349 0.000 1.010 155 M CB 2.452 34.823 32.600 -0.382 0.000 1.649 155 M HN 0.518 nan 8.290 nan 0.000 0.443 156 K N 1.725 121.811 120.400 -0.523 0.000 2.155 156 K HA 0.048 4.368 4.320 0.000 0.000 0.203 156 K C -0.452 175.633 176.600 -0.858 0.000 1.052 156 K CA 1.123 56.951 56.287 -0.765 0.000 0.948 156 K CB 0.222 32.021 32.500 -1.168 0.000 0.728 156 K HN 0.431 nan 8.250 nan 0.000 0.448 157 F N 1.020 120.855 119.950 -0.192 0.000 2.363 157 F HA 0.247 4.774 4.527 0.000 0.000 0.366 157 F C -0.504 175.278 175.800 -0.029 0.000 1.083 157 F CA -0.986 56.892 58.000 -0.203 0.000 1.176 157 F CB 0.907 39.559 39.000 -0.580 0.000 1.432 157 F HN -0.389 nan 8.300 nan 0.000 0.482 158 V N 4.910 124.975 119.914 0.250 0.000 2.370 158 V HA 0.406 4.526 4.120 0.000 0.000 0.283 158 V C -2.049 174.242 176.094 0.328 0.000 1.023 158 V CA -2.114 60.316 62.300 0.216 0.000 0.857 158 V CB 1.808 33.651 31.823 0.032 0.000 0.985 158 V HN 0.327 nan 8.190 nan 0.000 0.443 159 P HA 0.213 nan 4.420 nan 0.000 0.271 159 P C -0.685 176.644 177.300 0.049 0.000 1.233 159 P CA 0.259 63.391 63.100 0.054 0.000 0.764 159 P CB 1.293 33.015 31.700 0.036 0.000 0.825 160 V N 0.552 120.510 119.914 0.074 0.000 3.102 160 V HA 0.945 5.066 4.120 0.000 0.000 0.312 160 V C -0.722 175.402 176.094 0.050 0.000 1.135 160 V CA -1.596 60.748 62.300 0.073 0.000 1.022 160 V CB 1.857 33.727 31.823 0.077 0.000 1.056 160 V HN 0.577 nan 8.190 nan 0.000 0.436 161 A N 1.928 124.708 122.820 -0.066 0.000 2.304 161 A HA 0.845 5.165 4.320 0.000 0.000 0.314 161 A C -0.773 176.595 177.584 -0.360 0.000 1.187 161 A CA -0.621 51.225 52.037 -0.318 0.000 0.810 161 A CB 1.333 20.205 19.000 -0.213 0.000 1.183 161 A HN 1.298 nan 8.150 nan 0.000 0.487 162 V N 4.894 124.507 119.914 -0.501 0.000 2.409 162 V HA 0.366 4.486 4.120 0.000 0.000 0.291 162 V C -2.441 173.443 176.094 -0.350 0.000 1.020 162 V CA -1.773 60.231 62.300 -0.495 0.000 0.848 162 V CB 1.670 32.992 31.823 -0.835 0.000 0.990 162 V HN 0.770 nan 8.190 nan 0.000 0.430 163 P HA 0.133 nan 4.420 nan 0.000 0.271 163 P C 0.691 177.925 177.300 -0.109 0.000 1.216 163 P CA 0.031 63.037 63.100 -0.158 0.000 0.776 163 P CB 0.576 32.191 31.700 -0.142 0.000 0.881 164 H N 3.726 122.730 119.070 -0.111 0.000 2.325 164 H HA -0.253 4.303 4.556 0.000 0.000 0.293 164 H C 1.663 176.955 175.328 -0.060 0.000 1.106 164 H CA 2.550 58.557 56.048 -0.068 0.000 1.247 164 H CB 0.004 29.740 29.762 -0.043 0.000 1.359 164 H HN 0.487 nan 8.280 nan 0.000 0.488 165 E N 0.347 120.499 120.200 -0.081 0.000 2.265 165 E HA -0.158 4.193 4.350 0.000 0.000 0.196 165 E C 1.922 178.432 176.600 -0.150 0.000 0.996 165 E CA 1.269 57.599 56.400 -0.117 0.000 0.832 165 E CB -0.330 29.346 29.700 -0.041 0.000 0.756 165 E HN 0.602 nan 8.360 nan 0.000 0.491 166 L N 0.062 121.185 121.223 -0.167 0.000 2.590 166 L HA 0.159 4.499 4.340 0.000 0.000 0.227 166 L C 2.539 179.318 176.870 -0.152 0.000 1.099 166 L CA -0.008 54.736 54.840 -0.161 0.000 0.872 166 L CB -0.126 41.808 42.059 -0.209 0.000 1.088 166 L HN 0.008 nan 8.230 nan 0.000 0.479 167 K N 1.090 121.379 120.400 -0.183 0.000 2.107 167 K HA -0.232 4.088 4.320 0.000 0.000 0.211 167 K C 1.953 178.551 176.600 -0.003 0.000 1.049 167 K CA 1.910 58.131 56.287 -0.111 0.000 0.927 167 K CB -0.263 32.164 32.500 -0.122 0.000 0.714 167 K HN 0.370 nan 8.250 nan 0.000 0.452 168 G N 0.890 109.666 108.800 -0.040 0.000 2.394 168 G HA2 -0.229 3.731 3.960 0.000 0.000 0.214 168 G HA3 -0.229 3.731 3.960 0.000 0.000 0.214 168 G C 1.477 176.404 174.900 0.046 0.000 1.176 168 G CA 0.739 45.844 45.100 0.008 0.000 0.786 168 G HN 0.422 nan 8.290 nan 0.000 0.533 169 I N 0.855 121.444 120.570 0.032 0.000 2.394 169 I HA 0.009 4.179 4.170 0.000 0.000 0.251 169 I C 2.942 179.159 176.117 0.166 0.000 1.136 169 I CA 1.188 62.529 61.300 0.068 0.000 1.425 169 I CB 0.003 38.034 38.000 0.051 0.000 1.079 169 I HN 0.211 nan 8.210 nan 0.000 0.425 170 A N 1.131 124.057 122.820 0.177 0.000 1.865 170 A HA -0.251 4.069 4.320 0.000 0.000 0.217 170 A C 2.316 180.143 177.584 0.405 0.000 1.191 170 A CA 1.921 54.144 52.037 0.309 0.000 0.623 170 A CB -0.553 18.454 19.000 0.012 0.000 0.826 170 A HN 0.425 nan 8.150 nan 0.000 0.444 171 K N -0.667 119.935 120.400 0.337 0.000 2.097 171 K HA -0.173 4.148 4.320 0.000 0.000 0.206 171 K C 2.174 178.903 176.600 0.215 0.000 1.049 171 K CA 1.526 57.995 56.287 0.303 0.000 0.933 171 K CB -0.117 32.513 32.500 0.216 0.000 0.717 171 K HN 0.775 nan 8.250 nan 0.000 0.442 172 E N 0.947 121.237 120.200 0.150 0.000 2.076 172 E HA -0.131 4.219 4.350 0.000 0.000 0.190 172 E C 1.602 178.238 176.600 0.060 0.000 0.979 172 E CA 0.905 57.359 56.400 0.090 0.000 0.807 172 E CB 0.343 30.068 29.700 0.042 0.000 0.761 172 E HN 0.013 nan 8.360 nan 0.000 0.454 173 K N -0.508 119.881 120.400 -0.018 0.000 2.308 173 K HA 0.057 4.377 4.320 0.000 0.000 0.197 173 K C 0.676 176.894 176.600 -0.637 0.000 1.049 173 K CA 0.450 56.532 56.287 -0.342 0.000 0.991 173 K CB 0.370 32.571 32.500 -0.499 0.000 0.836 173 K HN 0.182 nan 8.250 nan 0.000 0.500 174 F N 0.342 120.349 119.950 0.094 0.000 2.764 174 F HA 0.260 4.787 4.527 0.000 0.000 0.310 174 F C -0.231 175.635 175.800 0.110 0.000 1.124 174 F CA -0.521 57.496 58.000 0.029 0.000 1.252 174 F CB -0.320 38.772 39.000 0.153 0.000 1.010 174 F HN 0.141 nan 8.300 nan 0.000 0.518 175 H N -0.748 118.426 119.070 0.172 0.000 2.655 175 H HA -0.274 4.282 4.556 0.000 0.000 0.313 175 H C 0.365 175.820 175.328 0.213 0.000 1.141 175 H CA -0.191 55.937 56.048 0.133 0.000 1.138 175 H CB -1.357 28.431 29.762 0.044 0.000 1.446 175 H HN 0.307 nan 8.280 nan 0.000 0.415 176 F N 1.336 121.439 119.950 0.256 0.000 2.578 176 F HA 0.293 4.820 4.527 0.000 0.000 0.376 176 F C -0.006 175.891 175.800 0.162 0.000 1.085 176 F CA -0.208 57.914 58.000 0.204 0.000 1.260 176 F CB 0.602 39.713 39.000 0.185 0.000 1.095 176 F HN -0.069 nan 8.300 nan 0.000 0.573 177 V N 6.391 125.895 119.914 -0.683 0.000 2.569 177 V HA 0.187 4.307 4.120 0.000 0.000 0.301 177 V C -0.292 175.326 176.094 -0.794 0.000 1.044 177 V CA -1.131 60.833 62.300 -0.560 0.000 0.874 177 V CB 1.567 33.313 31.823 -0.128 0.000 1.002 177 V HN 0.716 nan 8.190 nan 0.000 0.424 178 E N 3.054 122.831 120.200 -0.705 0.000 2.436 178 E HA 0.185 4.535 4.350 0.000 0.000 0.262 178 E C -0.698 175.809 176.600 -0.156 0.000 1.063 178 E CA 0.348 56.525 56.400 -0.371 0.000 0.944 178 E CB 0.696 30.328 29.700 -0.115 0.000 0.950 178 E HN 0.618 nan 8.360 nan 0.000 0.444 179 D N 0.378 120.739 120.400 -0.064 0.000 2.738 179 D HA -0.005 4.635 4.640 0.000 0.000 0.218 179 D C 0.338 176.631 176.300 -0.013 0.000 1.345 179 D CA -0.209 53.776 54.000 -0.025 0.000 0.943 179 D CB 1.312 42.107 40.800 -0.008 0.000 1.514 179 D HN 0.352 nan 8.370 nan 0.000 0.585 180 S N 3.176 118.875 115.700 -0.002 0.000 2.500 180 S HA -0.130 4.340 4.470 0.000 0.000 0.239 180 S C 1.453 176.035 174.600 -0.030 0.000 0.989 180 S CA 0.602 58.797 58.200 -0.009 0.000 0.951 180 S CB -0.043 63.153 63.200 -0.007 0.000 0.759 180 S HN 0.499 nan 8.310 nan 0.000 0.523 181 R N 0.348 120.833 120.500 -0.025 0.000 2.193 181 R HA 0.185 4.525 4.340 0.000 0.000 0.213 181 R C -0.188 176.069 176.300 -0.071 0.000 1.055 181 R CA 0.438 56.523 56.100 -0.026 0.000 0.995 181 R CB -0.065 30.256 30.300 0.035 0.000 0.893 181 R HN 0.315 nan 8.270 nan 0.000 0.459 182 V N 1.889 121.732 119.914 -0.118 0.000 2.383 182 V HA 0.206 4.326 4.120 0.000 0.000 0.275 182 V C 0.468 176.475 176.094 -0.144 0.000 1.036 182 V CA -0.393 61.821 62.300 -0.142 0.000 0.889 182 V CB 1.291 32.981 31.823 -0.220 0.000 0.985 182 V HN 0.300 nan 8.190 nan 0.000 0.459 183 T N 0.426 114.829 114.554 -0.252 0.000 2.742 183 T HA 0.387 4.737 4.350 0.000 0.000 0.282 183 T C 0.908 175.249 174.700 -0.598 0.000 1.025 183 T CA -0.072 61.678 62.100 -0.584 0.000 1.020 183 T CB 1.737 70.386 68.868 -0.366 0.000 1.317 183 T HN 0.705 nan 8.240 nan 0.000 0.538 184 E N 0.327 120.099 120.200 -0.713 0.000 2.338 184 E HA -0.130 4.220 4.350 0.000 0.000 0.197 184 E C 1.015 177.558 176.600 -0.095 0.000 1.007 184 E CA 1.237 57.492 56.400 -0.241 0.000 0.849 184 E CB -0.605 29.024 29.700 -0.119 0.000 0.774 184 E HN 0.707 nan 8.360 nan 0.000 0.506 185 N N 0.225 118.849 118.700 -0.125 0.000 2.280 185 N HA 0.039 4.779 4.740 0.000 0.000 0.192 185 N C -0.615 174.872 175.510 -0.038 0.000 1.109 185 N CA -0.090 52.923 53.050 -0.062 0.000 0.855 185 N CB 0.713 39.161 38.487 -0.064 0.000 0.974 185 N HN -0.027 nan 8.380 nan 0.000 0.482 186 T N 1.257 115.784 114.554 -0.044 0.000 2.902 186 T HA -0.036 4.314 4.350 0.000 0.000 0.301 186 T C 0.236 174.951 174.700 0.024 0.000 1.012 186 T CA -0.072 62.021 62.100 -0.012 0.000 1.151 186 T CB 0.305 69.162 68.868 -0.019 0.000 0.946 186 T HN 0.147 nan 8.240 nan 0.000 0.542 187 N N 1.944 120.671 118.700 0.044 0.000 2.452 187 N HA 0.311 5.051 4.740 0.000 0.000 0.266 187 N C 1.161 176.716 175.510 0.076 0.000 1.209 187 N CA 1.273 54.362 53.050 0.065 0.000 0.929 187 N CB -0.061 38.479 38.487 0.089 0.000 1.063 187 N HN 0.877 nan 8.380 nan 0.000 0.472 188 G N 2.350 111.189 108.800 0.064 0.000 2.159 188 G HA2 -0.253 3.707 3.960 0.000 0.000 0.227 188 G HA3 -0.253 3.707 3.960 0.000 0.000 0.227 188 G C -0.037 174.886 174.900 0.038 0.000 0.986 188 G CA 0.011 45.148 45.100 0.061 0.000 0.651 188 G HN 0.669 nan 8.290 nan 0.000 0.523 189 L N 1.274 122.520 121.223 0.038 0.000 2.559 189 L HA 0.511 4.851 4.340 0.000 0.000 0.274 189 L C 0.470 177.343 176.870 0.005 0.000 1.205 189 L CA 0.723 55.586 54.840 0.038 0.000 0.907 189 L CB 0.311 42.410 42.059 0.066 0.000 1.153 189 L HN 0.220 nan 8.230 nan 0.000 0.490 190 K N 3.366 123.759 120.400 -0.012 0.000 2.270 190 K HA 0.472 4.792 4.320 0.000 0.000 0.255 190 K C -0.672 175.948 176.600 0.034 0.000 0.936 190 K CA -0.675 55.589 56.287 -0.038 0.000 0.809 190 K CB 1.654 34.070 32.500 -0.140 0.000 1.131 190 K HN 0.523 nan 8.250 nan 0.000 0.427 191 T N 2.982 117.541 114.554 0.009 0.000 2.767 191 T HA 0.212 4.562 4.350 0.000 0.000 0.288 191 T C -0.020 174.608 174.700 -0.119 0.000 0.963 191 T CA -0.531 61.544 62.100 -0.041 0.000 1.019 191 T CB 0.620 69.446 68.868 -0.070 0.000 0.923 191 T HN 0.459 nan 8.240 nan 0.000 0.468 192 M N 4.568 124.008 119.600 -0.266 0.000 2.268 192 M HA 0.194 4.674 4.480 0.000 0.000 0.349 192 M C 0.185 176.186 176.300 -0.498 0.000 1.485 192 M CA 0.110 54.951 55.300 -0.765 0.000 1.094 192 M CB 0.120 32.210 32.600 -0.850 0.000 1.843 192 M HN 0.676 nan 8.290 nan 0.000 0.460 193 L N 3.274 124.207 121.223 -0.483 0.000 2.316 193 L HA 0.186 4.526 4.340 0.000 0.000 0.207 193 L C 1.076 177.790 176.870 -0.260 0.000 1.070 193 L CA 0.447 55.114 54.840 -0.288 0.000 0.820 193 L CB -0.095 41.839 42.059 -0.209 0.000 0.992 193 L HN 0.820 nan 8.230 nan 0.000 0.466 194 T N -4.727 109.638 114.554 -0.315 0.000 2.696 194 T HA 0.131 4.481 4.350 0.000 0.000 0.291 194 T C 0.592 175.149 174.700 -0.239 0.000 1.095 194 T CA -0.322 61.648 62.100 -0.217 0.000 1.026 194 T CB 1.386 70.171 68.868 -0.138 0.000 1.390 194 T HN 0.250 nan 8.240 nan 0.000 0.513 195 E N 0.516 120.644 120.200 -0.121 0.000 2.331 195 E HA -0.126 4.224 4.350 0.000 0.000 0.199 195 E C 0.220 176.864 176.600 0.073 0.000 1.008 195 E CA 1.613 57.990 56.400 -0.039 0.000 0.843 195 E CB -0.382 29.315 29.700 -0.005 0.000 0.761 195 E HN 0.740 nan 8.360 nan 0.000 0.507 196 D N 0.564 120.972 120.400 0.013 0.000 2.785 196 D HA 0.076 4.716 4.640 0.000 0.000 0.324 196 D C -0.671 175.649 176.300 0.032 0.000 1.523 196 D CA -0.330 53.780 54.000 0.183 0.000 0.789 196 D CB 0.076 40.989 40.800 0.188 0.000 1.171 196 D HN 0.112 nan 8.370 nan 0.000 0.447 197 S N -1.061 114.479 115.700 -0.268 0.000 2.537 197 S HA 0.755 5.225 4.470 0.000 0.000 0.271 197 S C -1.403 172.886 174.600 -0.519 0.000 1.148 197 S CA -0.847 57.224 58.200 -0.216 0.000 0.868 197 S CB 1.070 64.200 63.200 -0.117 0.000 1.115 197 S HN -0.014 nan 8.310 nan 0.000 0.461 198 F N 1.674 121.476 119.950 -0.247 0.000 2.577 198 F HA 0.724 5.251 4.527 0.000 0.000 0.318 198 F C 0.977 176.647 175.800 -0.218 0.000 1.065 198 F CA -0.500 57.341 58.000 -0.266 0.000 0.929 198 F CB 2.298 41.099 39.000 -0.332 0.000 1.237 198 F HN 0.877 nan 8.300 nan 0.000 0.468 199 S N 1.458 117.141 115.700 -0.028 0.000 2.634 199 S HA 0.741 5.211 4.470 0.000 0.000 0.261 199 S C 0.084 174.622 174.600 -0.103 0.000 1.271 199 S CA -0.579 57.581 58.200 -0.065 0.000 0.985 199 S CB 0.912 64.075 63.200 -0.063 0.000 0.968 199 S HN 0.932 nan 8.310 nan 0.000 0.568 200 A N 1.225 123.990 122.820 -0.092 0.000 2.425 200 A HA 0.401 4.721 4.320 0.000 0.000 0.242 200 A C 0.917 178.435 177.584 -0.111 0.000 1.077 200 A CA -0.654 51.315 52.037 -0.113 0.000 0.781 200 A CB -0.207 18.765 19.000 -0.047 0.000 1.020 200 A HN 0.942 nan 8.150 nan 0.000 0.494 201 R N 1.083 121.499 120.500 -0.141 0.000 2.641 201 R HA 0.337 4.677 4.340 0.000 0.000 0.269 201 R C -0.289 175.997 176.300 -0.023 0.000 1.074 201 R CA -0.300 55.746 56.100 -0.090 0.000 1.133 201 R CB 0.500 30.745 30.300 -0.090 0.000 1.029 201 R HN 0.605 nan 8.270 nan 0.000 0.488 202 K N 2.297 122.696 120.400 -0.001 0.000 2.211 202 K HA 0.221 4.541 4.320 0.000 0.000 0.275 202 K C -0.958 175.662 176.600 0.033 0.000 1.024 202 K CA -0.702 55.595 56.287 0.018 0.000 0.887 202 K CB 1.543 34.056 32.500 0.021 0.000 1.084 202 K HN 0.458 nan 8.250 nan 0.000 0.463 203 V N 3.014 122.953 119.914 0.042 0.000 2.546 203 V HA 0.202 4.322 4.120 0.000 0.000 0.284 203 V C 0.048 176.170 176.094 0.047 0.000 1.050 203 V CA -0.401 61.932 62.300 0.055 0.000 0.981 203 V CB 1.352 33.215 31.823 0.067 0.000 0.990 203 V HN 0.845 nan 8.190 nan 0.000 0.474 204 S N 2.373 118.103 115.700 0.051 0.000 2.503 204 S HA 0.374 4.844 4.470 0.000 0.000 0.301 204 S C 0.851 175.480 174.600 0.047 0.000 1.087 204 S CA -0.041 58.183 58.200 0.040 0.000 1.042 204 S CB 1.803 65.022 63.200 0.031 0.000 1.043 204 S HN 0.931 nan 8.310 nan 0.000 0.489 205 S N 4.564 120.286 115.700 0.038 0.000 2.575 205 S HA 0.187 4.657 4.470 0.000 0.000 0.215 205 S C 0.896 175.517 174.600 0.035 0.000 0.966 205 S CA -0.362 57.862 58.200 0.040 0.000 0.911 205 S CB -0.282 62.937 63.200 0.032 0.000 0.780 205 S HN 0.789 nan 8.310 nan 0.000 0.514 206 M N 3.119 122.736 119.600 0.028 0.000 2.338 206 M HA 0.065 4.545 4.480 0.000 0.000 0.360 206 M C -0.485 175.833 176.300 0.029 0.000 1.547 206 M CA 1.113 56.423 55.300 0.018 0.000 1.001 206 M CB -0.157 32.447 32.600 0.006 0.000 2.008 206 M HN 0.347 nan 8.290 nan 0.000 0.464 207 E N 3.079 123.291 120.200 0.021 0.000 2.204 207 E HA 0.448 4.798 4.350 0.000 0.000 0.276 207 E C -0.897 175.708 176.600 0.008 0.000 0.974 207 E CA -0.595 55.823 56.400 0.031 0.000 0.815 207 E CB 1.539 31.257 29.700 0.030 0.000 1.119 207 E HN 0.621 nan 8.360 nan 0.000 0.393 208 S N 2.468 118.182 115.700 0.023 0.000 2.568 208 S HA 0.276 4.747 4.470 0.000 0.000 0.293 208 S C -2.062 172.548 174.600 0.016 0.000 1.089 208 S CA -1.282 56.892 58.200 -0.043 0.000 0.945 208 S CB 1.788 64.882 63.200 -0.177 0.000 1.077 208 S HN 0.348 nan 8.310 nan 0.000 0.485 209 P HA -0.137 nan 4.420 nan 0.000 0.218 209 P C 0.954 178.328 177.300 0.123 0.000 1.148 209 P CA 1.167 64.282 63.100 0.026 0.000 0.822 209 P CB -0.178 31.515 31.700 -0.011 0.000 0.784 210 H N -3.095 115.980 119.070 0.007 0.000 2.547 210 H HA 0.130 4.686 4.556 0.000 0.000 0.266 210 H C -0.065 175.365 175.328 0.171 0.000 0.988 210 H CA -0.634 55.453 56.048 0.065 0.000 1.147 210 H CB -0.417 29.353 29.762 0.012 0.000 1.365 210 H HN -0.005 nan 8.280 nan 0.000 0.589 211 D N 2.126 122.771 120.400 0.408 0.000 2.472 211 D HA 0.056 4.696 4.640 0.000 0.000 0.237 211 D C 0.257 176.662 176.300 0.174 0.000 1.141 211 D CA 0.349 54.535 54.000 0.310 0.000 0.875 211 D CB 1.384 42.315 40.800 0.219 0.000 1.192 211 D HN 0.340 nan 8.370 nan 0.000 0.450 212 L N 1.416 122.696 121.223 0.095 0.000 2.334 212 L HA 0.618 4.958 4.340 0.000 0.000 0.272 212 L C 0.381 177.221 176.870 -0.050 0.000 1.020 212 L CA -1.017 53.776 54.840 -0.077 0.000 0.812 212 L CB 1.584 43.411 42.059 -0.386 0.000 1.264 212 L HN 0.181 nan 8.230 nan 0.000 0.439 213 V N -0.704 119.176 119.914 -0.057 0.000 3.167 213 V HA 0.549 4.669 4.120 0.000 0.000 0.310 213 V C -0.236 175.829 176.094 -0.049 0.000 1.207 213 V CA -0.932 61.350 62.300 -0.031 0.000 1.059 213 V CB 1.893 33.713 31.823 -0.006 0.000 1.079 213 V HN 0.366 nan 8.190 nan 0.000 0.446 214 V N 1.865 121.761 119.914 -0.030 0.000 2.637 214 V HA 0.174 4.294 4.120 0.000 0.000 0.296 214 V C 0.975 177.050 176.094 -0.033 0.000 1.046 214 V CA 0.951 63.231 62.300 -0.032 0.000 1.066 214 V CB 0.807 32.619 31.823 -0.019 0.000 0.968 214 V HN 1.155 nan 8.190 nan 0.000 0.483 215 D N 2.467 122.844 120.400 -0.039 0.000 2.527 215 D HA 0.063 4.703 4.640 0.000 0.000 0.249 215 D C 0.775 177.059 176.300 -0.028 0.000 1.029 215 D CA 1.419 55.398 54.000 -0.035 0.000 0.951 215 D CB 0.649 41.421 40.800 -0.046 0.000 1.093 215 D HN 0.750 nan 8.370 nan 0.000 0.464 216 T N -2.385 112.151 114.554 -0.029 0.000 2.843 216 T HA 0.650 5.000 4.350 0.000 0.000 0.302 216 T C -1.056 173.633 174.700 -0.019 0.000 1.232 216 T CA -0.891 61.197 62.100 -0.020 0.000 1.009 216 T CB 1.848 70.705 68.868 -0.018 0.000 1.254 216 T HN -0.157 nan 8.240 nan 0.000 0.504 217 V N 0.738 120.646 119.914 -0.011 0.000 2.577 217 V HA 0.804 4.924 4.120 0.000 0.000 0.303 217 V C 0.640 176.735 176.094 0.001 0.000 1.042 217 V CA -0.456 61.840 62.300 -0.008 0.000 0.872 217 V CB 1.593 33.411 31.823 -0.007 0.000 0.998 217 V HN 1.351 nan 8.190 nan 0.000 0.423 218 G N 2.191 110.991 108.800 0.001 0.000 2.441 218 G HA2 0.695 4.655 3.960 0.000 0.000 0.334 218 G HA3 0.695 4.655 3.960 0.000 0.000 0.334 218 G C -0.688 174.219 174.900 0.012 0.000 1.161 218 G CA -0.438 44.669 45.100 0.010 0.000 0.935 218 G HN 0.571 nan 8.290 nan 0.000 0.488 219 T N -0.443 114.120 114.554 0.014 0.000 2.861 219 T HA 0.738 5.088 4.350 0.000 0.000 0.287 219 T C 0.073 174.699 174.700 -0.123 0.000 1.003 219 T CA -0.212 61.873 62.100 -0.026 0.000 0.977 219 T CB 1.893 70.789 68.868 0.048 0.000 0.996 219 T HN 0.933 nan 8.240 nan 0.000 0.448 220 G N 0.310 108.917 108.800 -0.321 0.000 2.642 220 G HA2 0.599 4.559 3.960 0.000 0.000 0.293 220 G HA3 0.599 4.559 3.960 0.000 0.000 0.293 220 G C -1.165 173.316 174.900 -0.699 0.000 1.341 220 G CA -0.582 44.333 45.100 -0.307 0.000 0.916 220 G HN 0.739 nan 8.290 nan 0.000 0.474 221 Y N -1.360 118.810 120.300 -0.217 0.000 2.423 221 Y HA 0.245 4.795 4.550 0.000 0.000 0.257 221 Y C 1.052 176.592 175.900 -0.600 0.000 1.087 221 Y CA -0.038 57.795 58.100 -0.445 0.000 1.258 221 Y CB 1.001 39.160 38.460 -0.503 0.000 1.237 221 Y HN 0.600 nan 8.280 nan 0.000 0.517 222 H N -2.303 116.825 119.070 0.097 0.000 2.676 222 H HA 0.329 4.885 4.556 0.000 0.000 0.238 222 H C 1.018 176.377 175.328 0.052 0.000 1.276 222 H CA 0.012 56.103 56.048 0.071 0.000 0.983 222 H CB 0.621 30.448 29.762 0.108 0.000 2.000 222 H HN -0.026 nan 8.280 nan 0.000 0.584 223 S N 0.254 115.997 115.700 0.071 0.000 2.439 223 S HA 0.053 4.523 4.470 0.000 0.000 0.224 223 S C 0.985 175.606 174.600 0.035 0.000 1.029 223 S CA 0.220 58.462 58.200 0.070 0.000 0.946 223 S CB 0.463 63.704 63.200 0.069 0.000 0.797 223 S HN 0.417 nan 8.310 nan 0.000 0.504 224 R N 0.005 120.496 120.500 -0.016 0.000 2.673 224 R HA 0.384 4.724 4.340 0.000 0.000 0.281 224 R C -1.356 174.914 176.300 -0.051 0.000 0.991 224 R CA -0.821 55.214 56.100 -0.109 0.000 0.896 224 R CB 0.746 30.825 30.300 -0.369 0.000 1.201 224 R HN 0.081 nan 8.270 nan 0.000 0.457 225 F N 3.960 123.826 119.950 -0.140 0.000 2.623 225 F HA 0.254 4.781 4.527 0.000 0.000 0.383 225 F C 1.249 176.996 175.800 -0.088 0.000 1.077 225 F CA 2.150 60.096 58.000 -0.089 0.000 1.268 225 F CB 0.704 39.655 39.000 -0.082 0.000 1.053 225 F HN 0.858 nan 8.300 nan 0.000 0.571 226 G N 3.033 111.327 108.800 -0.843 0.000 2.241 226 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 226 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 226 G C 0.272 174.928 174.900 -0.407 0.000 0.998 226 G CA 0.120 44.819 45.100 -0.669 0.000 0.621 226 G HN 0.850 nan 8.290 nan 0.000 0.519 227 S N 1.087 116.588 115.700 -0.331 0.000 2.537 227 S HA 0.466 4.936 4.470 0.000 0.000 0.275 227 S C 0.762 175.104 174.600 -0.429 0.000 1.272 227 S CA -0.314 57.661 58.200 -0.375 0.000 1.050 227 S CB 1.539 64.591 63.200 -0.246 0.000 0.961 227 S HN 0.257 nan 8.310 nan 0.000 0.496 228 D N 1.647 121.683 120.400 -0.607 0.000 2.183 228 D HA 0.181 4.821 4.640 0.000 0.000 0.203 228 D C 0.546 176.513 176.300 -0.554 0.000 0.969 228 D CA 0.773 54.429 54.000 -0.574 0.000 0.842 228 D CB 0.237 40.475 40.800 -0.936 0.000 0.957 228 D HN 0.596 nan 8.370 nan 0.000 0.484 229 A N -0.317 122.000 122.820 -0.839 0.000 2.604 229 A HA 0.526 4.846 4.320 0.000 0.000 0.295 229 A C -1.260 175.676 177.584 -1.079 0.000 1.067 229 A CA -0.626 50.725 52.037 -1.144 0.000 0.683 229 A CB 2.609 20.512 19.000 -1.828 0.000 1.281 229 A HN -0.100 nan 8.150 nan 0.000 0.407 230 E N 0.521 120.198 120.200 -0.872 0.000 2.366 230 E HA 0.687 5.037 4.350 0.000 0.000 0.278 230 E C -1.540 174.956 176.600 -0.173 0.000 0.923 230 E CA -0.354 55.806 56.400 -0.399 0.000 0.761 230 E CB 2.267 31.904 29.700 -0.106 0.000 1.231 230 E HN 1.369 nan 8.360 nan 0.000 0.443 231 A N 2.161 124.954 122.820 -0.044 0.000 2.355 231 A HA 0.638 4.958 4.320 0.000 0.000 0.317 231 A C -0.919 176.624 177.584 -0.067 0.000 1.094 231 A CA -0.601 51.446 52.037 0.016 0.000 0.764 231 A CB 1.447 20.482 19.000 0.059 0.000 1.230 231 A HN 0.365 nan 8.150 nan 0.000 0.448 232 S N 1.282 116.957 115.700 -0.042 0.000 2.461 232 S HA 0.420 4.890 4.470 0.000 0.000 0.322 232 S C -0.369 174.209 174.600 -0.036 0.000 1.063 232 S CA -0.387 57.782 58.200 -0.052 0.000 1.120 232 S CB 0.856 64.045 63.200 -0.018 0.000 0.968 232 S HN 0.557 nan 8.310 nan 0.000 0.467 233 V N 5.716 125.607 119.914 -0.039 0.000 2.368 233 V HA 0.308 4.428 4.120 0.000 0.000 0.266 233 V C 0.166 176.239 176.094 -0.036 0.000 1.045 233 V CA -0.346 61.941 62.300 -0.022 0.000 0.899 233 V CB 0.712 32.537 31.823 0.004 0.000 1.006 233 V HN 0.764 nan 8.190 nan 0.000 0.470 234 M N 6.103 125.675 119.600 -0.047 0.000 2.216 234 M HA 0.501 4.981 4.480 0.000 0.000 0.356 234 M C -0.502 175.752 176.300 -0.077 0.000 1.205 234 M CA -0.018 55.238 55.300 -0.075 0.000 1.122 234 M CB 1.227 33.785 32.600 -0.070 0.000 1.571 234 M HN 0.423 nan 8.290 nan 0.000 0.464 235 L N 3.467 124.628 121.223 -0.104 0.000 2.322 235 L HA 0.661 5.001 4.340 0.000 0.000 0.269 235 L C 0.054 176.867 176.870 -0.094 0.000 1.012 235 L CA -0.738 54.038 54.840 -0.108 0.000 0.815 235 L CB 1.765 43.736 42.059 -0.148 0.000 1.295 235 L HN 0.679 nan 8.230 nan 0.000 0.438 236 K N 0.511 120.863 120.400 -0.080 0.000 2.499 236 K HA 0.582 4.902 4.320 0.000 0.000 0.277 236 K C -1.139 175.439 176.600 -0.037 0.000 1.025 236 K CA -1.150 55.108 56.287 -0.049 0.000 0.900 236 K CB 1.907 34.386 32.500 -0.035 0.000 1.494 236 K HN 0.338 nan 8.250 nan 0.000 0.442 237 R N -0.252 120.244 120.500 -0.006 0.000 2.582 237 R HA 0.247 4.587 4.340 0.000 0.000 0.271 237 R C 1.174 177.487 176.300 0.021 0.000 1.078 237 R CA 0.712 56.824 56.100 0.020 0.000 1.127 237 R CB 1.013 31.339 30.300 0.044 0.000 1.038 237 R HN 0.860 nan 8.270 nan 0.000 0.500 238 A N 2.300 125.144 122.820 0.040 0.000 1.948 238 A HA -0.228 4.092 4.320 0.000 0.000 0.220 238 A C 1.238 178.839 177.584 0.028 0.000 1.177 238 A CA 2.098 54.157 52.037 0.037 0.000 0.636 238 A CB -0.509 18.526 19.000 0.058 0.000 0.815 238 A HN 0.908 nan 8.150 nan 0.000 0.449 239 D N -2.158 118.260 120.400 0.030 0.000 2.352 239 D HA 0.268 4.908 4.640 0.000 0.000 0.232 239 D C 1.168 177.477 176.300 0.015 0.000 1.055 239 D CA 1.041 55.054 54.000 0.022 0.000 0.891 239 D CB -0.616 40.199 40.800 0.024 0.000 0.897 239 D HN 0.849 nan 8.370 nan 0.000 0.529 240 G N -0.575 108.232 108.800 0.012 0.000 2.217 240 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 240 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 240 G C 0.449 175.352 174.900 0.005 0.000 0.990 240 G CA 0.181 45.284 45.100 0.005 0.000 0.627 240 G HN 0.438 nan 8.290 nan 0.000 0.522 241 S N 0.747 116.454 115.700 0.011 0.000 2.572 241 S HA 0.414 4.884 4.470 0.000 0.000 0.279 241 S C 0.444 175.049 174.600 0.008 0.000 1.341 241 S CA 0.150 58.358 58.200 0.013 0.000 1.043 241 S CB 1.484 64.698 63.200 0.023 0.000 0.887 241 S HN 0.629 nan 8.310 nan 0.000 0.516 242 E N 2.185 122.388 120.200 0.005 0.000 2.354 242 E HA 0.182 4.532 4.350 0.000 0.000 0.269 242 E C -0.854 175.753 176.600 0.012 0.000 1.036 242 E CA -0.470 55.928 56.400 -0.003 0.000 0.876 242 E CB 0.417 30.113 29.700 -0.008 0.000 1.009 242 E HN 0.448 nan 8.360 nan 0.000 0.416 243 L N 3.494 124.722 121.223 0.009 0.000 2.397 243 L HA 0.120 4.460 4.340 0.000 0.000 0.271 243 L C 0.706 177.613 176.870 0.062 0.000 1.148 243 L CA -0.359 54.508 54.840 0.044 0.000 0.825 243 L CB 1.093 43.185 42.059 0.056 0.000 1.117 243 L HN 0.645 nan 8.230 nan 0.000 0.456 244 S N 0.195 115.952 115.700 0.095 0.000 2.632 244 S HA 0.080 4.550 4.470 0.000 0.000 0.267 244 S C 1.060 175.778 174.600 0.197 0.000 1.276 244 S CA -0.448 57.823 58.200 0.119 0.000 0.998 244 S CB 0.768 64.034 63.200 0.110 0.000 0.953 244 S HN 0.771 nan 8.310 nan 0.000 0.547 245 H N 0.942 120.066 119.070 0.089 0.000 2.352 245 H HA -0.134 4.422 4.556 0.000 0.000 0.299 245 H C 2.408 177.827 175.328 0.151 0.000 1.097 245 H CA 1.737 57.862 56.048 0.129 0.000 1.311 245 H CB 0.018 29.844 29.762 0.106 0.000 1.377 245 H HN 0.758 nan 8.280 nan 0.000 0.504 246 R N 0.821 121.403 120.500 0.137 0.000 2.081 246 R HA -0.130 4.210 4.340 0.000 0.000 0.235 246 R C 2.123 178.476 176.300 0.087 0.000 1.131 246 R CA 1.927 58.061 56.100 0.057 0.000 0.960 246 R CB -0.008 30.337 30.300 0.075 0.000 0.856 246 R HN 0.476 nan 8.270 nan 0.000 0.436 247 E N -0.581 119.696 120.200 0.129 0.000 2.106 247 E HA -0.197 4.153 4.350 0.000 0.000 0.192 247 E C 1.627 178.299 176.600 0.120 0.000 0.984 247 E CA 1.224 57.705 56.400 0.135 0.000 0.806 247 E CB -0.180 29.602 29.700 0.138 0.000 0.750 247 E HN 0.323 nan 8.360 nan 0.000 0.458 248 F N 1.362 121.310 119.950 -0.004 0.000 2.146 248 F HA -0.155 4.372 4.527 0.000 0.000 0.298 248 F C 1.908 177.634 175.800 -0.124 0.000 1.096 248 F CA 0.906 58.873 58.000 -0.054 0.000 1.275 248 F CB -0.006 38.990 39.000 -0.007 0.000 1.008 248 F HN -0.072 nan 8.300 nan 0.000 0.480 249 I N 0.663 121.100 120.570 -0.222 0.000 2.226 249 I HA -0.275 3.895 4.170 0.000 0.000 0.245 249 I C 1.989 177.768 176.117 -0.564 0.000 1.100 249 I CA 1.421 62.437 61.300 -0.474 0.000 1.374 249 I CB -1.383 36.434 38.000 -0.304 0.000 1.057 249 I HN 0.148 nan 8.210 nan 0.000 0.413 250 D N -0.250 119.990 120.400 -0.266 0.000 2.149 250 D HA -0.240 4.400 4.640 0.000 0.000 0.198 250 D C 2.072 178.223 176.300 -0.249 0.000 0.990 250 D CA 1.172 55.082 54.000 -0.150 0.000 0.839 250 D CB -0.307 40.566 40.800 0.121 0.000 0.948 250 D HN 0.363 nan 8.370 nan 0.000 0.460 251 Y N 1.619 121.616 120.300 -0.506 0.000 2.133 251 Y HA -0.212 4.338 4.550 0.000 0.000 0.287 251 Y C 2.288 177.713 175.900 -0.792 0.000 1.134 251 Y CA 1.598 59.217 58.100 -0.801 0.000 1.133 251 Y CB -0.424 37.519 38.460 -0.862 0.000 0.987 251 Y HN -0.080 nan 8.280 nan 0.000 0.502 252 V N -2.177 117.087 119.914 -1.083 0.000 2.594 252 V HA -0.238 3.883 4.120 0.000 0.000 0.253 252 V C 1.960 177.448 176.094 -1.010 0.000 1.069 252 V CA 1.719 63.158 62.300 -1.435 0.000 1.082 252 V CB -0.788 29.572 31.823 -2.438 0.000 0.680 252 V HN 0.386 nan 8.190 nan 0.000 0.469 253 M N 0.920 119.997 119.600 -0.872 0.000 2.619 253 M HA 0.096 4.576 4.480 0.000 0.000 0.251 253 M C 1.223 177.286 176.300 -0.395 0.000 1.106 253 M CA 0.828 55.709 55.300 -0.698 0.000 1.086 253 M CB -1.094 30.773 32.600 -1.222 0.000 1.465 253 M HN 0.532 nan 8.290 nan 0.000 0.506 254 N N -0.916 117.540 118.700 -0.407 0.000 2.171 254 N HA 0.080 4.820 4.740 0.000 0.000 0.212 254 N C -0.244 175.068 175.510 -0.330 0.000 1.184 254 N CA -0.097 52.791 53.050 -0.270 0.000 0.888 254 N CB 0.888 39.316 38.487 -0.098 0.000 1.038 254 N HN 0.171 nan 8.380 nan 0.000 0.517 255 F N 1.980 121.563 119.950 -0.612 0.000 2.529 255 F HA 0.138 4.665 4.527 0.000 0.000 0.365 255 F C 1.210 176.847 175.800 -0.271 0.000 1.102 255 F CA 0.320 58.002 58.000 -0.530 0.000 1.271 255 F CB 0.705 39.373 39.000 -0.553 0.000 1.120 255 F HN -0.157 nan 8.300 nan 0.000 0.579 256 N N 2.196 120.292 118.700 -1.007 0.000 2.724 256 N HA 0.107 4.847 4.740 0.000 0.000 0.226 256 N C 0.017 175.046 175.510 -0.803 0.000 1.030 256 N CA 0.818 53.413 53.050 -0.759 0.000 1.038 256 N CB 0.503 38.670 38.487 -0.534 0.000 1.475 256 N HN 0.671 nan 8.380 nan 0.000 0.472 257 T N -0.555 113.423 114.554 -0.961 0.000 2.661 257 T HA 0.581 4.931 4.350 0.000 0.000 0.305 257 T C -2.003 172.711 174.700 0.024 0.000 1.441 257 T CA -0.478 61.451 62.100 -0.285 0.000 0.999 257 T CB 0.796 69.669 68.868 0.007 0.000 1.650 257 T HN -0.224 nan 8.240 nan 0.000 0.489 258 V N 1.933 122.087 119.914 0.401 0.000 2.760 258 V HA 0.657 4.777 4.120 0.000 0.000 0.309 258 V C -0.324 176.045 176.094 0.459 0.000 1.077 258 V CA -1.019 61.553 62.300 0.452 0.000 0.910 258 V CB 1.818 33.939 31.823 0.496 0.000 1.008 258 V HN 0.857 nan 8.190 nan 0.000 0.424 259 R N 2.486 123.299 120.500 0.523 0.000 2.407 259 R HA 0.537 4.877 4.340 0.000 0.000 0.303 259 R C -1.789 174.837 176.300 0.542 0.000 0.981 259 R CA -0.533 55.865 56.100 0.497 0.000 0.905 259 R CB 1.041 31.682 30.300 0.568 0.000 1.099 259 R HN 0.637 nan 8.270 nan 0.000 0.459 260 Y N 2.149 122.662 120.300 0.355 0.000 2.331 260 Y HA 0.313 4.863 4.550 0.000 0.000 0.338 260 Y C -0.290 175.850 175.900 0.399 0.000 0.976 260 Y CA -1.386 56.967 58.100 0.423 0.000 1.137 260 Y CB 1.567 40.329 38.460 0.502 0.000 1.172 260 Y HN 0.493 nan 8.280 nan 0.000 0.478 261 D N 2.467 123.199 120.400 0.553 0.000 2.308 261 D HA 0.124 4.764 4.640 0.000 0.000 0.242 261 D C -1.239 175.297 176.300 0.393 0.000 1.059 261 D CA -0.291 53.924 54.000 0.358 0.000 0.830 261 D CB 1.857 42.879 40.800 0.370 0.000 1.161 261 D HN 0.387 nan 8.370 nan 0.000 0.494 262 Y N 2.173 122.441 120.300 -0.053 0.000 2.331 262 Y HA 0.219 4.769 4.550 0.000 0.000 0.338 262 Y C -0.645 175.021 175.900 -0.390 0.000 0.992 262 Y CA -0.892 57.040 58.100 -0.280 0.000 1.121 262 Y CB 0.530 38.899 38.460 -0.152 0.000 1.184 262 Y HN 0.327 nan 8.280 nan 0.000 0.469 263 Y N 4.655 124.646 120.300 -0.515 0.000 2.607 263 Y HA 0.329 4.879 4.550 0.000 0.000 0.266 263 Y C 1.497 176.982 175.900 -0.693 0.000 1.178 263 Y CA 0.108 57.883 58.100 -0.540 0.000 1.226 263 Y CB 0.229 38.376 38.460 -0.521 0.000 1.144 263 Y HN 0.964 nan 8.280 nan 0.000 0.528 264 G N 1.600 109.636 108.800 -1.274 0.000 2.611 264 G HA2 -0.427 3.533 3.960 0.000 0.000 0.301 264 G HA3 -0.427 3.533 3.960 0.000 0.000 0.301 264 G C 0.792 175.544 174.900 -0.247 0.000 1.233 264 G CA 0.768 45.327 45.100 -0.902 0.000 0.993 264 G HN 0.448 nan 8.290 nan 0.000 0.553 265 D N 0.993 121.327 120.400 -0.109 0.000 2.325 265 D HA 0.161 4.801 4.640 0.000 0.000 0.225 265 D C 0.490 176.803 176.300 0.021 0.000 1.096 265 D CA 0.654 54.690 54.000 0.060 0.000 0.844 265 D CB 0.089 40.900 40.800 0.019 0.000 0.925 265 D HN 0.337 nan 8.370 nan 0.000 0.513 266 D N 0.736 121.064 120.400 -0.120 0.000 2.435 266 D HA 0.293 4.933 4.640 0.000 0.000 0.230 266 D C 1.219 177.114 176.300 -0.676 0.000 1.215 266 D CA -0.318 53.521 54.000 -0.269 0.000 0.947 266 D CB 0.903 41.599 40.800 -0.172 0.000 1.048 266 D HN 0.086 nan 8.370 nan 0.000 0.512 267 A N 2.776 125.072 122.820 -0.873 0.000 2.125 267 A HA -0.133 4.187 4.320 0.000 0.000 0.219 267 A C 1.992 179.223 177.584 -0.589 0.000 1.156 267 A CA 1.438 52.678 52.037 -1.328 0.000 0.671 267 A CB -0.348 18.209 19.000 -0.738 0.000 0.794 267 A HN 0.540 nan 8.150 nan 0.000 0.459 268 S N -3.002 112.484 115.700 -0.358 0.000 2.593 268 S HA 0.075 4.545 4.470 0.000 0.000 0.217 268 S C 0.380 174.936 174.600 -0.072 0.000 0.966 268 S CA 0.227 58.339 58.200 -0.148 0.000 0.914 268 S CB -0.749 62.387 63.200 -0.106 0.000 0.776 268 S HN 0.642 nan 8.310 nan 0.000 0.523 269 Y N 0.968 121.028 120.300 -0.400 0.000 3.168 269 Y HA -0.244 4.306 4.550 0.000 0.000 0.207 269 Y C 1.306 177.004 175.900 -0.336 0.000 1.280 269 Y CA 0.738 58.426 58.100 -0.687 0.000 1.235 269 Y CB -2.614 35.395 38.460 -0.752 0.000 1.370 269 Y HN 0.373 nan 8.280 nan 0.000 0.537 270 T N -2.127 112.448 114.554 0.034 0.000 3.056 270 T HA 0.091 4.441 4.350 0.000 0.000 0.241 270 T C 0.429 175.256 174.700 0.212 0.000 1.006 270 T CA 0.579 62.750 62.100 0.118 0.000 1.115 270 T CB 0.135 69.020 68.868 0.030 0.000 0.939 270 T HN 0.321 nan 8.240 nan 0.000 0.462 271 N N 2.175 120.990 118.700 0.191 0.000 2.678 271 N HA 0.439 5.180 4.740 0.000 0.000 0.231 271 N C -1.139 174.288 175.510 -0.139 0.000 1.038 271 N CA -0.368 52.709 53.050 0.045 0.000 0.932 271 N CB 0.910 39.381 38.487 -0.027 0.000 1.176 271 N HN 0.123 nan 8.380 nan 0.000 0.511 272 L N 1.962 122.995 121.223 -0.316 0.000 2.462 272 L HA 0.119 4.459 4.340 0.000 0.000 0.272 272 L C 0.823 177.422 176.870 -0.453 0.000 1.166 272 L CA 0.731 55.092 54.840 -0.798 0.000 0.880 272 L CB 0.350 42.087 42.059 -0.535 0.000 1.142 272 L HN 0.635 nan 8.230 nan 0.000 0.473 273 M N 4.131 123.435 119.600 -0.492 0.000 2.447 273 M HA 0.348 4.828 4.480 0.000 0.000 0.266 273 M C 0.531 176.730 176.300 -0.168 0.000 1.120 273 M CA 0.807 55.934 55.300 -0.288 0.000 1.166 273 M CB -0.017 32.368 32.600 -0.358 0.000 1.349 273 M HN 0.768 nan 8.290 nan 0.000 0.463 274 A N -0.528 122.174 122.820 -0.196 0.000 2.567 274 A HA 0.631 4.951 4.320 0.000 0.000 0.291 274 A C -1.171 176.186 177.584 -0.378 0.000 1.048 274 A CA -0.635 51.263 52.037 -0.232 0.000 0.661 274 A CB 0.992 19.890 19.000 -0.172 0.000 1.288 274 A HN 0.087 nan 8.150 nan 0.000 0.424 275 S N -0.338 115.093 115.700 -0.448 0.000 2.526 275 S HA 0.830 5.300 4.470 0.000 0.000 0.293 275 S C -1.639 172.705 174.600 -0.427 0.000 1.092 275 S CA -0.227 57.791 58.200 -0.303 0.000 0.980 275 S CB 0.946 64.128 63.200 -0.030 0.000 1.048 275 S HN 0.510 nan 8.310 nan 0.000 0.483 276 Y N 0.022 120.477 120.300 0.258 0.000 2.512 276 Y HA 0.702 5.252 4.550 0.000 0.000 0.348 276 Y C 0.684 176.484 175.900 -0.166 0.000 0.990 276 Y CA -1.007 57.210 58.100 0.195 0.000 1.033 276 Y CB 1.337 40.111 38.460 0.522 0.000 1.259 276 Y HN 0.776 nan 8.280 nan 0.000 0.461 277 G N 0.095 108.693 108.800 -0.336 0.000 2.488 277 G HA2 0.617 4.577 3.960 0.000 0.000 0.318 277 G HA3 0.617 4.577 3.960 0.000 0.000 0.318 277 G C -0.663 173.824 174.900 -0.688 0.000 1.188 277 G CA -0.513 43.570 45.100 -1.695 0.000 0.944 277 G HN 0.698 nan 8.290 nan 0.000 0.495 278 T N -2.114 112.069 114.554 -0.618 0.000 2.865 278 T HA 0.711 5.061 4.350 0.000 0.000 0.294 278 T C -0.887 173.825 174.700 0.021 0.000 1.119 278 T CA -1.016 60.999 62.100 -0.140 0.000 1.007 278 T CB 2.329 71.118 68.868 -0.133 0.000 1.225 278 T HN 0.441 nan 8.240 nan 0.000 0.515 279 K N 0.868 121.190 120.400 -0.130 0.000 2.397 279 K HA 0.394 4.714 4.320 0.000 0.000 0.253 279 K C -0.958 175.613 176.600 -0.050 0.000 0.932 279 K CA -0.866 55.152 56.287 -0.449 0.000 0.795 279 K CB 1.665 33.715 32.500 -0.749 0.000 1.159 279 K HN 0.753 nan 8.250 nan 0.000 0.424 280 H N 0.771 119.855 119.070 0.024 0.000 2.852 280 H HA -0.016 4.540 4.556 0.000 0.000 0.362 280 H C 1.057 176.365 175.328 -0.032 0.000 1.122 280 H CA 2.164 58.246 56.048 0.057 0.000 1.419 280 H CB 0.912 30.596 29.762 -0.130 0.000 1.401 280 H HN 0.758 nan 8.280 nan 0.000 0.609 281 S N 1.385 116.737 115.700 -0.580 0.000 1.537 281 S HA -0.331 4.139 4.470 0.000 0.000 0.241 281 S C 1.731 176.269 174.600 -0.103 0.000 0.763 281 S CA 1.790 59.783 58.200 -0.344 0.000 1.304 281 S CB -1.953 61.087 63.200 -0.265 0.000 1.584 281 S HN 1.025 nan 8.310 nan 0.000 0.514 282 A N 0.533 123.317 122.820 -0.060 0.000 1.898 282 A HA 0.115 4.436 4.320 0.000 0.000 0.214 282 A C 1.561 179.261 177.584 0.194 0.000 1.183 282 A CA 1.754 53.794 52.037 0.004 0.000 0.622 282 A CB -0.321 18.628 19.000 -0.085 0.000 0.824 282 A HN 0.723 nan 8.150 nan 0.000 0.444 283 D N -1.202 119.348 120.400 0.250 0.000 2.449 283 D HA 0.135 4.775 4.640 0.000 0.000 0.210 283 D C 0.242 176.794 176.300 0.420 0.000 1.094 283 D CA 0.988 55.227 54.000 0.398 0.000 0.846 283 D CB 0.512 41.519 40.800 0.346 0.000 1.003 283 D HN 0.459 nan 8.370 nan 0.000 0.504 284 S N -0.222 115.700 115.700 0.371 0.000 2.556 284 S HA 0.743 5.213 4.470 0.000 0.000 0.271 284 S C -1.506 173.187 174.600 0.155 0.000 1.135 284 S CA -1.083 57.210 58.200 0.155 0.000 0.858 284 S CB 1.877 65.316 63.200 0.397 0.000 1.114 284 S HN 0.282 nan 8.310 nan 0.000 0.468 285 W N -0.685 120.629 121.300 0.022 0.000 3.153 285 W HA 0.859 5.519 4.660 0.000 0.000 0.316 285 W C -2.053 174.558 176.519 0.154 0.000 1.255 285 W CA -1.066 56.202 57.345 -0.128 0.000 1.192 285 W CB 0.345 29.699 29.460 -0.177 0.000 1.400 285 W HN 0.986 nan 8.180 nan 0.000 0.568 286 W N 0.509 122.012 121.300 0.337 0.000 3.066 286 W HA 0.686 5.346 4.660 0.000 0.000 0.330 286 W C -1.469 175.240 176.519 0.316 0.000 1.253 286 W CA -1.259 56.240 57.345 0.256 0.000 1.187 286 W CB 1.059 30.601 29.460 0.138 0.000 1.434 286 W HN 0.318 nan 8.180 nan 0.000 0.572 287 K N 0.688 121.535 120.400 0.746 0.000 2.313 287 K HA 0.420 4.740 4.320 0.000 0.000 0.235 287 K C 0.719 177.767 176.600 0.746 0.000 1.035 287 K CA -0.533 56.117 56.287 0.605 0.000 0.868 287 K CB 1.581 34.318 32.500 0.395 0.000 1.232 287 K HN 0.506 nan 8.250 nan 0.000 0.459 288 T N -2.601 112.303 114.554 0.585 0.000 3.163 288 T HA 0.186 4.536 4.350 0.000 0.000 0.252 288 T C 0.940 175.965 174.700 0.542 0.000 1.056 288 T CA -0.387 62.038 62.100 0.542 0.000 0.947 288 T CB -0.089 69.076 68.868 0.495 0.000 1.016 288 T HN 0.528 nan 8.240 nan 0.000 0.554 289 G N 1.355 110.398 108.800 0.405 0.000 2.525 289 G HA2 0.315 4.275 3.960 0.000 0.000 0.276 289 G HA3 0.315 4.275 3.960 0.000 0.000 0.276 289 G C 0.690 175.622 174.900 0.052 0.000 1.388 289 G CA -0.942 44.277 45.100 0.200 0.000 1.050 289 G HN 0.351 nan 8.290 nan 0.000 0.520 290 R N -1.709 118.654 120.500 -0.228 0.000 2.240 290 R HA 0.099 4.439 4.340 0.000 0.000 0.203 290 R C 0.347 176.502 176.300 -0.242 0.000 1.011 290 R CA -0.086 55.822 56.100 -0.320 0.000 1.007 290 R CB 0.100 30.200 30.300 -0.334 0.000 0.911 290 R HN 0.174 nan 8.270 nan 0.000 0.468 291 V N 4.384 124.154 119.914 -0.241 0.000 2.427 291 V HA 0.109 4.229 4.120 0.000 0.000 0.268 291 V C -1.861 173.819 176.094 -0.690 0.000 1.046 291 V CA -1.484 60.628 62.300 -0.312 0.000 0.970 291 V CB 1.016 32.736 31.823 -0.172 0.000 1.001 291 V HN 0.064 nan 8.190 nan 0.000 0.476 292 P HA 0.148 nan 4.420 nan 0.000 0.235 292 P C -0.225 176.681 177.300 -0.656 0.000 1.765 292 P CA 0.025 62.288 63.100 -1.394 0.000 1.034 292 P CB 0.073 31.410 31.700 -0.605 0.000 1.984 293 R N 2.447 122.652 120.500 -0.490 0.000 2.670 293 R HA 0.657 4.997 4.340 0.000 0.000 0.289 293 R C -1.028 175.346 176.300 0.123 0.000 0.965 293 R CA -0.910 55.135 56.100 -0.093 0.000 0.899 293 R CB 1.342 31.601 30.300 -0.069 0.000 1.173 293 R HN 0.150 nan 8.270 nan 0.000 0.456 294 I N 2.531 123.138 120.570 0.062 0.000 2.499 294 I HA 0.253 4.424 4.170 0.000 0.000 0.288 294 I C -0.659 175.379 176.117 -0.132 0.000 1.048 294 I CA -0.751 60.568 61.300 0.031 0.000 1.062 294 I CB 2.433 40.435 38.000 0.005 0.000 1.238 294 I HN 0.599 nan 8.210 nan 0.000 0.426 295 S N 4.286 119.747 115.700 -0.399 0.000 2.509 295 S HA 0.567 5.037 4.470 0.000 0.000 0.297 295 S C -0.788 173.252 174.600 -0.934 0.000 1.118 295 S CA -0.524 57.243 58.200 -0.721 0.000 1.074 295 S CB 1.507 64.085 63.200 -1.037 0.000 1.038 295 S HN 0.595 nan 8.310 nan 0.000 0.498 296 C N 2.334 121.296 119.300 -0.563 0.000 2.441 296 C HA 0.905 5.365 4.460 0.000 0.000 0.318 296 C C 0.809 175.669 174.990 -0.216 0.000 1.222 296 C CA -0.683 58.185 59.018 -0.250 0.000 1.474 296 C CB 0.588 28.381 27.740 0.087 0.000 2.125 296 C HN 1.009 nan 8.230 nan 0.000 0.479 297 G N 1.537 110.327 108.800 -0.016 0.000 2.630 297 G HA2 0.867 4.827 3.960 0.000 0.000 0.296 297 G HA3 0.867 4.827 3.960 0.000 0.000 0.296 297 G C -1.657 173.157 174.900 -0.142 0.000 1.285 297 G CA -0.427 44.657 45.100 -0.027 0.000 0.958 297 G HN 0.817 nan 8.290 nan 0.000 0.479 298 I N 0.085 120.359 120.570 -0.492 0.000 2.827 298 I HA 0.452 4.622 4.170 0.000 0.000 0.298 298 I C -1.778 173.791 176.117 -0.912 0.000 1.235 298 I CA -1.101 59.745 61.300 -0.755 0.000 1.021 298 I CB 2.529 39.931 38.000 -0.997 0.000 1.259 298 I HN 0.469 nan 8.210 nan 0.000 0.427 299 N N 5.810 123.917 118.700 -0.988 0.000 2.491 299 N HA 0.258 4.999 4.740 0.000 0.000 0.274 299 N C -0.079 174.983 175.510 -0.747 0.000 1.023 299 N CA -0.329 52.043 53.050 -1.130 0.000 0.902 299 N CB 1.042 38.413 38.487 -1.860 0.000 1.267 299 N HN 0.630 nan 8.380 nan 0.000 0.503 300 Y N 1.501 121.571 120.300 -0.384 0.000 2.465 300 Y HA -0.064 4.486 4.550 0.000 0.000 0.289 300 Y C 2.179 178.015 175.900 -0.107 0.000 1.150 300 Y CA 0.726 58.695 58.100 -0.217 0.000 1.293 300 Y CB 0.312 38.678 38.460 -0.156 0.000 0.977 300 Y HN 0.630 nan 8.280 nan 0.000 0.556 301 G N -0.752 108.039 108.800 -0.014 0.000 2.985 301 G HA2 -0.001 3.959 3.960 0.000 0.000 0.209 301 G HA3 -0.001 3.959 3.960 0.000 0.000 0.209 301 G C 0.125 175.158 174.900 0.222 0.000 1.165 301 G CA -0.253 44.898 45.100 0.085 0.000 0.776 301 G HN 0.012 nan 8.290 nan 0.000 0.541 302 F N 1.452 121.414 119.950 0.020 0.000 2.459 302 F HA 0.247 4.774 4.527 0.000 0.000 0.346 302 F C 1.210 176.928 175.800 -0.137 0.000 1.128 302 F CA -1.837 56.114 58.000 -0.082 0.000 1.268 302 F CB 0.863 39.787 39.000 -0.127 0.000 1.161 302 F HN -0.020 nan 8.300 nan 0.000 0.583 303 D N 1.322 121.716 120.400 -0.010 0.000 2.149 303 D HA -0.181 4.459 4.640 0.000 0.000 0.198 303 D C 2.071 178.290 176.300 -0.134 0.000 0.990 303 D CA 1.230 55.193 54.000 -0.061 0.000 0.839 303 D CB -0.140 40.605 40.800 -0.091 0.000 0.948 303 D HN 0.559 nan 8.370 nan 0.000 0.460 304 R N -0.188 120.080 120.500 -0.387 0.000 2.316 304 R HA -0.020 4.320 4.340 0.000 0.000 0.202 304 R C 0.542 176.560 176.300 -0.470 0.000 1.029 304 R CA 0.664 56.442 56.100 -0.536 0.000 1.018 304 R CB -0.315 29.291 30.300 -1.156 0.000 0.888 304 R HN 0.090 nan 8.270 nan 0.000 0.471 305 F N 1.351 121.237 119.950 -0.106 0.000 2.698 305 F HA 0.347 4.874 4.527 0.000 0.000 0.304 305 F C 0.211 175.854 175.800 -0.261 0.000 1.108 305 F CA -1.547 56.192 58.000 -0.436 0.000 1.263 305 F CB 0.132 38.896 39.000 -0.394 0.000 1.013 305 F HN -0.137 nan 8.300 nan 0.000 0.532 306 K N 0.889 121.349 120.400 0.101 0.000 2.466 306 K HA 0.263 4.584 4.320 0.000 0.000 0.278 306 K C 1.314 178.039 176.600 0.209 0.000 1.048 306 K CA 1.360 57.731 56.287 0.139 0.000 1.088 306 K CB -0.116 32.463 32.500 0.132 0.000 0.884 306 K HN 0.555 nan 8.250 nan 0.000 0.478 307 G N 2.320 111.216 108.800 0.160 0.000 2.194 307 G HA2 -0.294 3.666 3.960 0.000 0.000 0.236 307 G HA3 -0.294 3.666 3.960 0.000 0.000 0.236 307 G C 0.034 175.056 174.900 0.203 0.000 0.987 307 G CA 0.254 45.472 45.100 0.198 0.000 0.635 307 G HN 0.844 nan 8.290 nan 0.000 0.520 308 S N -0.219 115.521 115.700 0.067 0.000 2.624 308 S HA 0.853 5.323 4.470 0.000 0.000 0.263 308 S C 0.573 174.953 174.600 -0.367 0.000 1.287 308 S CA 0.750 58.834 58.200 -0.194 0.000 0.990 308 S CB 2.239 65.270 63.200 -0.281 0.000 0.950 308 S HN 2.089 nan 8.310 nan 0.000 0.561 309 G N -0.472 107.865 108.800 -0.770 0.000 2.428 309 G HA2 0.547 4.507 3.960 0.000 0.000 0.304 309 G HA3 0.547 4.507 3.960 0.000 0.000 0.304 309 G C -3.605 170.833 174.900 -0.771 0.000 1.303 309 G CA -1.084 43.324 45.100 -1.153 0.000 0.825 309 G HN 0.589 nan 8.290 nan 0.000 0.484 310 P HA 0.473 nan 4.420 nan 0.000 0.269 310 P C 0.675 178.124 177.300 0.248 0.000 1.217 310 P CA 1.528 64.689 63.100 0.103 0.000 0.783 310 P CB 1.096 32.846 31.700 0.083 0.000 0.898 311 G N 0.128 109.088 108.800 0.267 0.000 2.302 311 G HA2 0.064 4.024 3.960 0.000 0.000 0.264 311 G HA3 0.064 4.024 3.960 0.000 0.000 0.264 311 G C -1.893 172.944 174.900 -0.106 0.000 1.335 311 G CA -0.804 44.344 45.100 0.082 0.000 0.982 311 G HN 0.284 nan 8.290 nan 0.000 0.473 312 Y N 0.254 120.536 120.300 -0.031 0.000 2.326 312 Y HA 0.712 5.262 4.550 0.000 0.000 0.337 312 Y C -0.115 175.725 175.900 -0.101 0.000 1.023 312 Y CA -0.150 57.877 58.100 -0.121 0.000 1.143 312 Y CB 1.398 39.534 38.460 -0.541 0.000 1.183 312 Y HN 0.502 nan 8.280 nan 0.000 0.485 313 Y N 1.474 121.903 120.300 0.214 0.000 2.524 313 Y HA 0.608 5.158 4.550 0.000 0.000 0.344 313 Y C -0.231 175.913 175.900 0.407 0.000 1.012 313 Y CA -1.464 56.810 58.100 0.290 0.000 1.068 313 Y CB 2.069 40.511 38.460 -0.030 0.000 1.249 313 Y HN 0.436 nan 8.280 nan 0.000 0.468 314 R N 2.830 123.688 120.500 0.597 0.000 2.476 314 R HA 0.640 4.980 4.340 0.000 0.000 0.305 314 R C -2.163 174.366 176.300 0.382 0.000 0.965 314 R CA -0.413 55.940 56.100 0.422 0.000 0.867 314 R CB 0.617 31.186 30.300 0.448 0.000 1.176 314 R HN 0.745 nan 8.270 nan 0.000 0.447 315 L N 3.670 125.060 121.223 0.279 0.000 2.295 315 L HA 0.506 4.846 4.340 0.000 0.000 0.285 315 L C -0.378 176.675 176.870 0.306 0.000 1.035 315 L CA -0.851 54.188 54.840 0.333 0.000 0.806 315 L CB 2.104 44.309 42.059 0.244 0.000 1.214 315 L HN 0.644 nan 8.230 nan 0.000 0.426 316 T N 3.946 118.718 114.554 0.364 0.000 2.833 316 T HA 0.443 4.793 4.350 0.000 0.000 0.297 316 T C -0.306 174.599 174.700 0.341 0.000 1.015 316 T CA -0.510 61.775 62.100 0.309 0.000 0.963 316 T CB 1.114 70.158 68.868 0.293 0.000 0.955 316 T HN 0.102 nan 8.240 nan 0.000 0.449 317 L N 4.205 125.626 121.223 0.331 0.000 2.319 317 L HA 0.475 4.815 4.340 0.000 0.000 0.280 317 L C 0.018 177.068 176.870 0.300 0.000 1.099 317 L CA -0.091 54.997 54.840 0.412 0.000 0.828 317 L CB 0.264 42.615 42.059 0.487 0.000 1.150 317 L HN 0.611 nan 8.230 nan 0.000 0.442 318 I N 3.440 124.097 120.570 0.146 0.000 2.362 318 I HA 0.685 4.855 4.170 0.000 0.000 0.289 318 I C -0.114 175.897 176.117 -0.177 0.000 0.994 318 I CA -0.354 60.958 61.300 0.020 0.000 1.158 318 I CB 1.528 39.529 38.000 0.000 0.000 1.315 318 I HN 0.691 nan 8.210 nan 0.000 0.451 319 A N 5.212 128.001 122.820 -0.052 0.000 2.486 319 A HA 0.581 4.901 4.320 0.000 0.000 0.300 319 A C -0.889 176.728 177.584 0.056 0.000 1.048 319 A CA -0.827 51.115 52.037 -0.158 0.000 0.696 319 A CB 1.144 19.864 19.000 -0.467 0.000 1.278 319 A HN 0.612 nan 8.150 nan 0.000 0.405 320 N N 0.924 119.645 118.700 0.035 0.000 2.447 320 N HA 0.334 5.074 4.740 0.000 0.000 0.263 320 N C 1.258 176.897 175.510 0.216 0.000 1.226 320 N CA 1.791 54.925 53.050 0.140 0.000 0.906 320 N CB 0.926 39.469 38.487 0.093 0.000 1.060 320 N HN 1.602 nan 8.380 nan 0.000 0.468 321 G N 1.083 109.989 108.800 0.177 0.000 2.179 321 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 321 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 321 G C -0.529 174.391 174.900 0.034 0.000 0.977 321 G CA 0.216 45.372 45.100 0.093 0.000 0.641 321 G HN 0.559 nan 8.290 nan 0.000 0.533 322 Y N -0.297 120.095 120.300 0.153 0.000 2.468 322 Y HA 0.690 5.240 4.550 0.000 0.000 0.342 322 Y C 0.781 176.776 175.900 0.158 0.000 1.021 322 Y CA -1.084 57.115 58.100 0.165 0.000 1.079 322 Y CB 1.103 39.666 38.460 0.172 0.000 1.226 322 Y HN 0.246 nan 8.280 nan 0.000 0.460 323 R N 1.339 122.023 120.500 0.307 0.000 2.694 323 R HA 0.067 4.407 4.340 0.000 0.000 0.268 323 R C -0.894 175.544 176.300 0.230 0.000 1.061 323 R CA -0.467 55.760 56.100 0.212 0.000 1.133 323 R CB 0.316 30.713 30.300 0.163 0.000 1.020 323 R HN 0.629 nan 8.270 nan 0.000 0.475 324 D N 1.517 122.026 120.400 0.183 0.000 2.423 324 D HA 0.079 4.719 4.640 0.000 0.000 0.238 324 D C -0.758 175.644 176.300 0.170 0.000 1.142 324 D CA 0.191 54.304 54.000 0.187 0.000 0.884 324 D CB 1.038 41.935 40.800 0.162 0.000 1.199 324 D HN 0.118 nan 8.370 nan 0.000 0.438 325 V N 2.795 122.820 119.914 0.185 0.000 2.357 325 V HA 0.256 4.376 4.120 0.000 0.000 0.284 325 V C 0.081 176.259 176.094 0.140 0.000 1.018 325 V CA -0.730 61.649 62.300 0.133 0.000 0.841 325 V CB 1.698 33.586 31.823 0.108 0.000 0.991 325 V HN 0.221 nan 8.190 nan 0.000 0.437 326 V N 4.248 124.222 119.914 0.101 0.000 2.435 326 V HA 0.862 4.982 4.120 0.000 0.000 0.290 326 V C 0.302 176.429 176.094 0.056 0.000 1.030 326 V CA -0.374 61.985 62.300 0.098 0.000 0.881 326 V CB 1.623 33.492 31.823 0.077 0.000 0.983 326 V HN 0.971 nan 8.190 nan 0.000 0.445 327 A N 3.424 126.284 122.820 0.067 0.000 2.374 327 A HA 0.774 5.094 4.320 0.000 0.000 0.305 327 A C -1.198 176.391 177.584 0.009 0.000 1.053 327 A CA -0.665 51.387 52.037 0.024 0.000 0.726 327 A CB 1.198 20.221 19.000 0.038 0.000 1.229 327 A HN 0.706 nan 8.150 nan 0.000 0.431 328 D N 0.937 121.300 120.400 -0.063 0.000 2.193 328 D HA 0.540 5.180 4.640 0.000 0.000 0.244 328 D C -0.758 175.546 176.300 0.007 0.000 1.064 328 D CA 0.088 54.041 54.000 -0.078 0.000 0.845 328 D CB 2.032 42.589 40.800 -0.405 0.000 1.148 328 D HN 0.377 nan 8.370 nan 0.000 0.464 329 V N 2.003 121.950 119.914 0.055 0.000 3.114 329 V HA 0.553 4.673 4.120 0.000 0.000 0.308 329 V C -1.484 174.518 176.094 -0.152 0.000 1.168 329 V CA -0.872 61.377 62.300 -0.084 0.000 1.015 329 V CB 2.633 34.299 31.823 -0.262 0.000 1.050 329 V HN 0.516 nan 8.190 nan 0.000 0.433 330 R N 3.750 124.127 120.500 -0.204 0.000 2.534 330 R HA 0.583 4.923 4.340 0.000 0.000 0.301 330 R C -2.073 174.139 176.300 -0.147 0.000 0.961 330 R CA -0.479 55.435 56.100 -0.309 0.000 0.871 330 R CB 1.423 31.501 30.300 -0.371 0.000 1.170 330 R HN 0.570 nan 8.270 nan 0.000 0.446 331 F N 4.867 124.857 119.950 0.067 0.000 2.411 331 F HA 0.383 4.910 4.527 0.000 0.000 0.352 331 F C 0.366 176.272 175.800 0.177 0.000 1.123 331 F CA -0.958 57.151 58.000 0.181 0.000 1.044 331 F CB 1.096 40.205 39.000 0.182 0.000 1.135 331 F HN 0.266 nan 8.300 nan 0.000 0.461 332 L N 4.850 126.324 121.223 0.418 0.000 2.464 332 L HA 0.275 4.615 4.340 0.000 0.000 0.264 332 L C -1.972 174.960 176.870 0.103 0.000 1.199 332 L CA -1.706 53.210 54.840 0.128 0.000 0.818 332 L CB 0.194 42.258 42.059 0.009 0.000 1.102 332 L HN 0.363 nan 8.230 nan 0.000 0.473 333 P HA 0.057 nan 4.420 nan 0.000 0.272 333 P C -1.100 176.315 177.300 0.192 0.000 1.230 333 P CA -0.413 62.730 63.100 0.072 0.000 0.788 333 P CB 0.478 32.170 31.700 -0.013 0.000 0.949 334 K N 1.934 122.457 120.400 0.205 0.000 2.276 334 K HA 0.124 4.444 4.320 0.000 0.000 0.283 334 K C -0.710 176.035 176.600 0.242 0.000 1.044 334 K CA -0.523 55.880 56.287 0.193 0.000 0.944 334 K CB 0.078 32.647 32.500 0.115 0.000 1.012 334 K HN 0.364 nan 8.250 nan 0.000 0.472 335 Y N 4.277 124.540 120.300 -0.062 0.000 2.537 335 Y HA 0.001 4.551 4.550 0.000 0.000 0.339 335 Y C 0.516 176.222 175.900 -0.323 0.000 1.066 335 Y CA 0.246 57.991 58.100 -0.592 0.000 1.357 335 Y CB 0.772 38.593 38.460 -1.065 0.000 1.175 335 Y HN 0.725 nan 8.280 nan 0.000 0.525 336 E N 3.833 123.626 120.200 -0.677 0.000 2.478 336 E HA 0.099 4.450 4.350 0.000 0.000 0.194 336 E C 0.989 177.146 176.600 -0.739 0.000 1.045 336 E CA 0.438 56.520 56.400 -0.529 0.000 0.868 336 E CB 0.185 29.727 29.700 -0.264 0.000 0.885 336 E HN 0.897 nan 8.360 nan 0.000 0.505 337 G N 0.829 108.762 108.800 -1.446 0.000 2.588 337 G HA2 0.125 4.085 3.960 0.000 0.000 0.278 337 G HA3 0.125 4.085 3.960 0.000 0.000 0.278 337 G C 0.067 174.550 174.900 -0.696 0.000 1.307 337 G CA -0.389 44.121 45.100 -0.982 0.000 1.016 337 G HN -0.009 nan 8.290 nan 0.000 0.503 338 N N -0.675 117.896 118.700 -0.215 0.000 2.399 338 N HA 0.307 5.047 4.740 0.000 0.000 0.284 338 N C -1.195 174.381 175.510 0.110 0.000 1.025 338 N CA -0.427 52.608 53.050 -0.026 0.000 0.885 338 N CB 2.330 40.787 38.487 -0.049 0.000 1.339 338 N HN 0.351 nan 8.380 nan 0.000 0.487 339 I N 1.449 122.135 120.570 0.192 0.000 2.499 339 I HA 0.321 4.491 4.170 0.000 0.000 0.296 339 I C -0.514 175.645 176.117 0.069 0.000 0.992 339 I CA -0.229 61.161 61.300 0.150 0.000 1.297 339 I CB 0.791 38.906 38.000 0.191 0.000 1.410 339 I HN 0.330 nan 8.210 nan 0.000 0.507 340 D N 8.015 128.438 120.400 0.038 0.000 2.391 340 D HA 0.478 5.118 4.640 0.000 0.000 0.245 340 D C -0.694 175.598 176.300 -0.013 0.000 1.069 340 D CA 0.039 54.043 54.000 0.007 0.000 0.831 340 D CB 1.998 42.800 40.800 0.002 0.000 1.204 340 D HN 0.350 nan 8.370 nan 0.000 0.503 341 I N 0.739 121.288 120.570 -0.035 0.000 2.608 341 I HA 0.598 4.768 4.170 0.000 0.000 0.295 341 I C 0.357 176.424 176.117 -0.083 0.000 1.049 341 I CA -0.749 60.511 61.300 -0.066 0.000 1.063 341 I CB 2.516 40.462 38.000 -0.089 0.000 1.248 341 I HN 0.308 nan 8.210 nan 0.000 0.424 342 G N 5.788 114.527 108.800 -0.101 0.000 2.719 342 G HA2 0.728 4.688 3.960 0.000 0.000 0.298 342 G HA3 0.728 4.688 3.960 0.000 0.000 0.298 342 G C -1.560 173.244 174.900 -0.161 0.000 1.411 342 G CA -0.482 44.553 45.100 -0.107 0.000 0.991 342 G HN 0.397 nan 8.290 nan 0.000 0.509 343 L N 1.332 122.437 121.223 -0.196 0.000 2.333 343 L HA 0.665 5.005 4.340 0.000 0.000 0.280 343 L C -0.132 176.689 176.870 -0.082 0.000 1.004 343 L CA -0.762 53.904 54.840 -0.290 0.000 0.820 343 L CB 2.257 43.923 42.059 -0.656 0.000 1.247 343 L HN 0.451 nan 8.230 nan 0.000 0.416 344 K N 2.596 123.014 120.400 0.031 0.000 2.652 344 K HA 0.531 4.851 4.320 0.000 0.000 0.249 344 K C 0.413 177.091 176.600 0.130 0.000 0.986 344 K CA 0.255 56.587 56.287 0.075 0.000 0.867 344 K CB 1.591 34.111 32.500 0.034 0.000 1.201 344 K HN 0.702 nan 8.250 nan 0.000 0.450 345 G N 4.218 113.101 108.800 0.139 0.000 2.677 345 G HA2 -0.367 3.593 3.960 0.000 0.000 0.321 345 G HA3 -0.367 3.593 3.960 0.000 0.000 0.321 345 G C 0.149 175.092 174.900 0.071 0.000 1.181 345 G CA 0.594 45.745 45.100 0.084 0.000 0.965 345 G HN 0.610 nan 8.290 nan 0.000 0.548 346 K N 0.115 120.533 120.400 0.030 0.000 2.537 346 K HA 0.517 4.837 4.320 0.000 0.000 0.206 346 K C -0.462 176.195 176.600 0.096 0.000 1.041 346 K CA -0.066 56.194 56.287 -0.045 0.000 1.090 346 K CB 1.673 34.119 32.500 -0.091 0.000 0.833 346 K HN 0.278 nan 8.250 nan 0.000 0.493 347 V N 2.112 122.134 119.914 0.180 0.000 2.495 347 V HA 0.317 4.437 4.120 0.000 0.000 0.298 347 V C -0.877 175.279 176.094 0.103 0.000 1.031 347 V CA -1.109 61.265 62.300 0.123 0.000 0.871 347 V CB 1.767 33.624 31.823 0.058 0.000 0.988 347 V HN 0.102 nan 8.190 nan 0.000 0.432 348 L N 4.750 126.007 121.223 0.056 0.000 2.298 348 L HA 0.681 5.021 4.340 0.000 0.000 0.284 348 L C 0.069 176.916 176.870 -0.039 0.000 1.013 348 L CA 0.420 55.234 54.840 -0.044 0.000 0.824 348 L CB 1.488 43.522 42.059 -0.042 0.000 1.221 348 L HN 0.699 nan 8.230 nan 0.000 0.418 349 T N 6.959 121.480 114.554 -0.056 0.000 2.749 349 T HA 0.564 4.914 4.350 0.000 0.000 0.287 349 T C 0.044 174.719 174.700 -0.041 0.000 0.970 349 T CA -0.009 62.069 62.100 -0.037 0.000 0.980 349 T CB 0.376 69.226 68.868 -0.029 0.000 0.924 349 T HN 0.443 nan 8.240 nan 0.000 0.456 350 I N 3.137 123.691 120.570 -0.027 0.000 2.362 350 I HA 0.647 4.817 4.170 0.000 0.000 0.289 350 I C 0.680 176.794 176.117 -0.005 0.000 0.994 350 I CA -0.439 60.849 61.300 -0.020 0.000 1.158 350 I CB 1.615 39.602 38.000 -0.022 0.000 1.315 350 I HN 0.735 nan 8.210 nan 0.000 0.451 351 G N 2.423 111.224 108.800 0.002 0.000 2.727 351 G HA2 0.562 4.522 3.960 0.000 0.000 0.289 351 G HA3 0.562 4.522 3.960 0.000 0.000 0.289 351 G C 0.348 175.263 174.900 0.025 0.000 1.418 351 G CA -0.114 44.993 45.100 0.011 0.000 0.818 351 G HN 0.845 nan 8.290 nan 0.000 0.486 352 G N -1.770 107.046 108.800 0.027 0.000 2.225 352 G HA2 0.237 4.197 3.960 0.000 0.000 0.254 352 G HA3 0.237 4.197 3.960 0.000 0.000 0.254 352 G C 0.569 175.510 174.900 0.068 0.000 0.988 352 G CA 1.160 46.283 45.100 0.038 0.000 0.625 352 G HN 2.108 nan 8.290 nan 0.000 0.527 353 A N -0.341 122.521 122.820 0.070 0.000 2.384 353 A HA 0.688 5.008 4.320 0.000 0.000 0.312 353 A C 0.086 177.698 177.584 0.047 0.000 1.113 353 A CA 0.307 52.400 52.037 0.092 0.000 0.779 353 A CB 1.152 20.171 19.000 0.031 0.000 1.307 353 A HN 0.341 nan 8.150 nan 0.000 0.436 354 D N 0.223 120.652 120.400 0.048 0.000 2.352 354 D HA 0.257 4.897 4.640 0.000 0.000 0.238 354 D C 1.262 177.577 176.300 0.024 0.000 1.286 354 D CA 0.686 54.707 54.000 0.035 0.000 0.923 354 D CB 1.134 41.962 40.800 0.047 0.000 1.146 354 D HN 0.439 nan 8.370 nan 0.000 0.471 355 A N 1.419 124.256 122.820 0.028 0.000 1.911 355 A HA -0.080 4.240 4.320 0.000 0.000 0.212 355 A C 1.995 179.601 177.584 0.037 0.000 1.189 355 A CA 1.190 53.244 52.037 0.028 0.000 0.639 355 A CB -0.414 18.601 19.000 0.026 0.000 0.839 355 A HN 0.791 nan 8.150 nan 0.000 0.449 356 E N -0.580 119.647 120.200 0.045 0.000 2.106 356 E HA -0.182 4.168 4.350 0.000 0.000 0.192 356 E C 1.907 178.554 176.600 0.078 0.000 0.984 356 E CA 1.509 57.945 56.400 0.059 0.000 0.806 356 E CB -0.220 29.518 29.700 0.064 0.000 0.750 356 E HN 0.477 nan 8.360 nan 0.000 0.458 357 T N 0.109 114.700 114.554 0.062 0.000 2.881 357 T HA -0.071 4.279 4.350 0.000 0.000 0.270 357 T C 1.453 176.193 174.700 0.068 0.000 1.068 357 T CA 0.802 62.920 62.100 0.030 0.000 1.131 357 T CB -0.065 68.707 68.868 -0.161 0.000 0.871 357 T HN 0.165 nan 8.240 nan 0.000 0.479 358 L N 1.011 122.277 121.223 0.071 0.000 2.685 358 L HA 0.321 4.661 4.340 0.000 0.000 0.233 358 L C 0.352 177.272 176.870 0.083 0.000 1.173 358 L CA -0.486 54.416 54.840 0.103 0.000 0.961 358 L CB -0.126 41.965 42.059 0.054 0.000 1.217 358 L HN 0.243 nan 8.230 nan 0.000 0.478 359 M N 0.602 120.256 119.600 0.090 0.000 2.219 359 M HA 0.021 4.501 4.480 0.000 0.000 0.353 359 M C 0.676 177.019 176.300 0.073 0.000 1.304 359 M CA 0.754 56.096 55.300 0.070 0.000 1.115 359 M CB 0.283 32.924 32.600 0.068 0.000 1.664 359 M HN 0.210 nan 8.290 nan 0.000 0.459 360 D N 0.177 120.606 120.400 0.048 0.000 2.983 360 D HA -0.161 4.480 4.640 0.000 0.000 0.225 360 D C 0.055 176.375 176.300 0.033 0.000 1.174 360 D CA 0.875 54.899 54.000 0.041 0.000 0.831 360 D CB -0.742 40.087 40.800 0.049 0.000 1.104 360 D HN 0.771 nan 8.370 nan 0.000 0.421 361 A N 0.040 122.873 122.820 0.022 0.000 2.332 361 A HA 0.693 5.013 4.320 0.000 0.000 0.258 361 A C 0.469 178.018 177.584 -0.059 0.000 1.087 361 A CA 0.615 52.630 52.037 -0.037 0.000 0.802 361 A CB 1.165 20.129 19.000 -0.061 0.000 1.042 361 A HN 0.483 nan 8.150 nan 0.000 0.489 362 A N -0.025 122.734 122.820 -0.102 0.000 2.594 362 A HA 0.781 5.101 4.320 0.000 0.000 0.291 362 A C -0.504 177.023 177.584 -0.095 0.000 1.105 362 A CA 0.107 52.104 52.037 -0.067 0.000 0.694 362 A CB 1.175 20.158 19.000 -0.027 0.000 1.291 362 A HN 2.371 nan 8.150 nan 0.000 0.410 363 V N -1.708 118.176 119.914 -0.051 0.000 3.114 363 V HA 0.882 5.002 4.120 0.000 0.000 0.308 363 V C -1.692 174.412 176.094 0.017 0.000 1.168 363 V CA -0.871 61.402 62.300 -0.045 0.000 1.015 363 V CB 2.180 33.964 31.823 -0.065 0.000 1.050 363 V HN 0.764 nan 8.190 nan 0.000 0.433 364 D N 0.723 121.153 120.400 0.049 0.000 2.433 364 D HA 0.817 5.457 4.640 0.000 0.000 0.236 364 D C -1.142 175.230 176.300 0.120 0.000 1.026 364 D CA -0.205 53.877 54.000 0.138 0.000 0.884 364 D CB 2.331 43.276 40.800 0.242 0.000 1.384 364 D HN 0.652 nan 8.370 nan 0.000 0.477 365 V N 1.836 121.864 119.914 0.190 0.000 2.668 365 V HA 0.609 4.729 4.120 0.000 0.000 0.304 365 V C -1.120 175.143 176.094 0.282 0.000 1.071 365 V CA -0.878 61.477 62.300 0.091 0.000 0.894 365 V CB 1.358 33.232 31.823 0.086 0.000 1.008 365 V HN 0.546 nan 8.190 nan 0.000 0.425 366 F N 2.163 122.227 119.950 0.189 0.000 2.650 366 F HA 0.939 5.467 4.527 0.000 0.000 0.310 366 F C -0.157 175.782 175.800 0.231 0.000 1.112 366 F CA -1.211 56.922 58.000 0.221 0.000 0.986 366 F CB 1.086 40.154 39.000 0.113 0.000 1.285 366 F HN 0.630 nan 8.300 nan 0.000 0.440 367 A N 2.424 125.454 122.820 0.351 0.000 2.388 367 A HA 0.388 4.708 4.320 0.000 0.000 0.257 367 A C 0.877 178.558 177.584 0.161 0.000 1.095 367 A CA -0.027 52.025 52.037 0.026 0.000 0.791 367 A CB -0.040 18.867 19.000 -0.155 0.000 1.029 367 A HN 0.921 nan 8.150 nan 0.000 0.489 368 D N 2.353 122.785 120.400 0.052 0.000 2.893 368 D HA -0.265 4.376 4.640 0.000 0.000 0.426 368 D C 1.280 177.681 176.300 0.168 0.000 1.026 368 D CA 2.690 56.754 54.000 0.106 0.000 1.274 368 D CB -0.606 40.200 40.800 0.011 0.000 1.089 368 D HN 0.774 nan 8.370 nan 0.000 0.470 369 G N 0.588 109.437 108.800 0.081 0.000 4.637 369 G HA2 0.277 4.237 3.960 0.000 0.000 0.308 369 G HA3 0.277 4.237 3.960 0.000 0.000 0.308 369 G C -0.014 174.913 174.900 0.045 0.000 1.377 369 G CA -0.297 44.834 45.100 0.051 0.000 1.176 369 G HN -0.012 nan 8.290 nan 0.000 0.601 370 Q N -0.080 119.774 119.800 0.090 0.000 2.496 370 Q HA 0.434 4.774 4.340 0.000 0.000 0.286 370 Q C -2.645 173.401 176.000 0.077 0.000 1.103 370 Q CA -1.715 54.135 55.803 0.079 0.000 0.813 370 Q CB 1.896 30.696 28.738 0.102 0.000 1.444 370 Q HN 0.052 nan 8.270 nan 0.000 0.443 371 P HA 0.141 nan 4.420 nan 0.000 0.272 371 P C -0.754 176.611 177.300 0.109 0.000 1.230 371 P CA -0.202 62.920 63.100 0.037 0.000 0.788 371 P CB 0.578 32.296 31.700 0.030 0.000 0.949 372 K N 1.291 121.742 120.400 0.086 0.000 2.401 372 K HA 0.096 4.416 4.320 0.000 0.000 0.278 372 K C 0.970 177.663 176.600 0.155 0.000 1.018 372 K CA -0.013 56.382 56.287 0.181 0.000 0.981 372 K CB 0.248 32.823 32.500 0.126 0.000 0.933 372 K HN 0.407 nan 8.250 nan 0.000 0.477 373 L N 1.702 123.043 121.223 0.196 0.000 2.298 373 L HA 0.081 4.421 4.340 0.000 0.000 0.209 373 L C 0.288 177.202 176.870 0.074 0.000 1.084 373 L CA 0.330 55.238 54.840 0.112 0.000 0.816 373 L CB 0.335 42.461 42.059 0.111 0.000 0.967 373 L HN 0.287 nan 8.230 nan 0.000 0.460 374 V N -0.402 119.588 119.914 0.126 0.000 2.531 374 V HA 0.329 4.449 4.120 0.000 0.000 0.301 374 V C -0.517 175.639 176.094 0.104 0.000 1.034 374 V CA -0.358 62.001 62.300 0.098 0.000 0.865 374 V CB 1.869 33.768 31.823 0.127 0.000 0.995 374 V HN 0.015 nan 8.190 nan 0.000 0.424 375 S N 2.708 118.449 115.700 0.068 0.000 2.596 375 S HA 0.405 4.875 4.470 0.000 0.000 0.318 375 S C -0.103 174.523 174.600 0.043 0.000 1.097 375 S CA -0.398 57.839 58.200 0.061 0.000 1.080 375 S CB 0.906 64.133 63.200 0.044 0.000 0.991 375 S HN 1.007 nan 8.310 nan 0.000 0.471 376 D N 2.492 122.918 120.400 0.045 0.000 2.704 376 D HA -0.153 4.487 4.640 0.000 0.000 0.232 376 D C -0.425 175.886 176.300 0.019 0.000 1.183 376 D CA 0.874 54.891 54.000 0.029 0.000 0.647 376 D CB -0.276 40.540 40.800 0.027 0.000 1.013 376 D HN 0.311 nan 8.370 nan 0.000 0.415 377 Q N 0.174 119.985 119.800 0.018 0.000 2.296 377 Q HA 0.594 4.934 4.340 0.000 0.000 0.257 377 Q C 0.319 176.319 176.000 0.000 0.000 0.942 377 Q CA -0.145 55.665 55.803 0.012 0.000 0.939 377 Q CB 1.418 30.167 28.738 0.020 0.000 1.198 377 Q HN 0.460 nan 8.270 nan 0.000 0.429 378 A N 2.629 125.449 122.820 0.001 0.000 2.520 378 A HA 0.356 4.676 4.320 0.000 0.000 0.235 378 A C -0.114 177.466 177.584 -0.008 0.000 1.065 378 A CA 0.008 52.042 52.037 -0.004 0.000 0.764 378 A CB 0.477 19.479 19.000 0.002 0.000 1.002 378 A HN 0.506 nan 8.150 nan 0.000 0.502 379 V N 1.284 121.189 119.914 -0.015 0.000 3.147 379 V HA 0.669 4.789 4.120 0.000 0.000 0.306 379 V C -0.001 176.087 176.094 -0.011 0.000 1.209 379 V CA -0.398 61.892 62.300 -0.017 0.000 1.023 379 V CB 2.714 34.516 31.823 -0.035 0.000 1.059 379 V HN 1.119 nan 8.190 nan 0.000 0.435 380 S N 1.236 116.932 115.700 -0.006 0.000 2.732 380 S HA 0.714 5.184 4.470 0.000 0.000 0.293 380 S C -1.090 173.510 174.600 0.000 0.000 1.159 380 S CA -0.604 57.597 58.200 0.002 0.000 0.847 380 S CB 1.853 65.057 63.200 0.006 0.000 1.169 380 S HN 0.652 nan 8.310 nan 0.000 0.501 381 L N 1.930 123.157 121.223 0.007 0.000 2.456 381 L HA 0.567 4.907 4.340 0.000 0.000 0.272 381 L C 0.945 177.817 176.870 0.003 0.000 1.189 381 L CA 2.200 57.044 54.840 0.006 0.000 0.846 381 L CB -0.479 41.587 42.059 0.012 0.000 1.111 381 L HN 1.049 nan 8.230 nan 0.000 0.475 382 G N 3.798 112.599 108.800 0.001 0.000 2.709 382 G HA2 -0.162 3.798 3.960 0.000 0.000 0.228 382 G HA3 -0.162 3.798 3.960 0.000 0.000 0.228 382 G C -0.589 174.309 174.900 -0.004 0.000 1.215 382 G CA -0.052 45.048 45.100 -0.000 0.000 1.003 382 G HN 0.762 nan 8.290 nan 0.000 0.584 383 Q N 1.057 120.856 119.800 -0.001 0.000 2.309 383 Q HA 0.602 4.942 4.340 0.000 0.000 0.264 383 Q C -0.948 175.054 176.000 0.004 0.000 1.008 383 Q CA -0.709 55.094 55.803 0.000 0.000 0.853 383 Q CB 1.695 30.435 28.738 0.003 0.000 1.314 383 Q HN 0.507 nan 8.270 nan 0.000 0.448 384 N N 1.627 120.332 118.700 0.008 0.000 2.540 384 N HA 0.216 4.956 4.740 0.000 0.000 0.275 384 N C -1.171 174.359 175.510 0.032 0.000 1.053 384 N CA -0.212 52.847 53.050 0.015 0.000 0.876 384 N CB 2.120 40.612 38.487 0.009 0.000 1.284 384 N HN 0.222 nan 8.380 nan 0.000 0.518 385 V N 3.453 123.380 119.914 0.023 0.000 2.555 385 V HA 0.330 4.450 4.120 0.000 0.000 0.286 385 V C 0.537 176.640 176.094 0.015 0.000 1.044 385 V CA -0.053 62.261 62.300 0.022 0.000 1.026 385 V CB 0.579 32.405 31.823 0.005 0.000 0.981 385 V HN 0.427 nan 8.190 nan 0.000 0.480 386 L N 3.043 124.272 121.223 0.010 0.000 2.279 386 L HA 0.490 4.830 4.340 0.000 0.000 0.262 386 L C 0.624 177.444 176.870 -0.083 0.000 1.019 386 L CA -0.668 54.162 54.840 -0.015 0.000 0.823 386 L CB 2.042 44.124 42.059 0.038 0.000 1.358 386 L HN 0.448 nan 8.230 nan 0.000 0.432 387 S N 1.430 117.083 115.700 -0.077 0.000 3.864 387 S HA 0.525 4.995 4.470 0.000 0.000 0.202 387 S C -0.082 174.422 174.600 -0.160 0.000 1.402 387 S CA -0.207 57.937 58.200 -0.094 0.000 1.072 387 S CB -0.708 62.458 63.200 -0.057 0.000 1.383 387 S HN 0.571 nan 8.310 nan 0.000 0.458 388 A N 1.340 123.994 122.820 -0.275 0.000 2.599 388 A HA 0.548 4.868 4.320 0.000 0.000 0.294 388 A C -1.921 175.281 177.584 -0.637 0.000 1.055 388 A CA -0.946 50.826 52.037 -0.441 0.000 0.683 388 A CB 1.088 19.757 19.000 -0.552 0.000 1.278 388 A HN 0.296 nan 8.150 nan 0.000 0.412 389 D N 1.381 121.460 120.400 -0.534 0.000 2.381 389 D HA 0.505 5.145 4.640 0.000 0.000 0.235 389 D C -1.291 174.746 176.300 -0.438 0.000 1.068 389 D CA 0.258 54.008 54.000 -0.416 0.000 0.832 389 D CB 1.006 41.700 40.800 -0.176 0.000 1.101 389 D HN 0.274 nan 8.370 nan 0.000 0.515 390 F N 1.155 121.038 119.950 -0.112 0.000 2.421 390 F HA 0.125 4.652 4.527 0.000 0.000 0.358 390 F C 1.400 177.240 175.800 0.067 0.000 1.115 390 F CA -0.528 57.373 58.000 -0.165 0.000 1.160 390 F CB 0.658 39.460 39.000 -0.330 0.000 1.123 390 F HN -0.032 nan 8.300 nan 0.000 0.508 391 T N 6.222 121.018 114.554 0.402 0.000 2.751 391 T HA 0.079 4.429 4.350 0.000 0.000 0.279 391 T C -2.246 172.607 174.700 0.254 0.000 0.941 391 T CA -0.855 61.409 62.100 0.273 0.000 1.192 391 T CB -0.179 68.824 68.868 0.226 0.000 0.883 391 T HN 0.203 nan 8.240 nan 0.000 0.534 392 P HA 0.144 nan 4.420 nan 0.000 0.265 392 P C 1.165 178.517 177.300 0.087 0.000 1.187 392 P CA 0.940 64.110 63.100 0.117 0.000 0.766 392 P CB 0.290 32.035 31.700 0.076 0.000 0.820 393 G N 1.419 110.260 108.800 0.068 0.000 2.225 393 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 393 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 393 G C 0.299 175.205 174.900 0.010 0.000 0.988 393 G CA 0.237 45.355 45.100 0.031 0.000 0.625 393 G HN 0.613 nan 8.290 nan 0.000 0.527 394 T N 1.086 115.658 114.554 0.030 0.000 2.856 394 T HA 0.482 4.832 4.350 0.000 0.000 0.292 394 T C 0.061 174.685 174.700 -0.127 0.000 0.980 394 T CA 0.111 62.147 62.100 -0.106 0.000 1.091 394 T CB 1.902 70.630 68.868 -0.233 0.000 0.936 394 T HN 0.413 nan 8.240 nan 0.000 0.503 395 E N 3.263 123.339 120.200 -0.206 0.000 2.081 395 E HA 0.221 4.571 4.350 0.000 0.000 0.281 395 E C -1.140 175.315 176.600 -0.240 0.000 0.986 395 E CA -0.524 55.792 56.400 -0.139 0.000 0.796 395 E CB 0.385 30.023 29.700 -0.103 0.000 1.085 395 E HN 0.547 nan 8.360 nan 0.000 0.398 396 Y N 1.792 122.015 120.300 -0.129 0.000 2.403 396 Y HA 0.279 4.829 4.550 0.000 0.000 0.323 396 Y C 0.673 176.397 175.900 -0.293 0.000 1.226 396 Y CA -0.669 57.321 58.100 -0.183 0.000 1.235 396 Y CB 1.851 40.201 38.460 -0.183 0.000 1.248 396 Y HN 0.298 nan 8.280 nan 0.000 0.489 397 T N 2.220 116.583 114.554 -0.318 0.000 2.795 397 T HA 0.533 4.883 4.350 0.000 0.000 0.282 397 T C -0.943 173.423 174.700 -0.556 0.000 0.980 397 T CA -0.608 61.168 62.100 -0.540 0.000 1.012 397 T CB 0.646 68.935 68.868 -0.966 0.000 0.936 397 T HN 0.308 nan 8.240 nan 0.000 0.457 398 V N 3.575 123.279 119.914 -0.351 0.000 2.407 398 V HA 0.405 4.525 4.120 0.000 0.000 0.291 398 V C 0.022 176.002 176.094 -0.191 0.000 1.018 398 V CA -0.862 61.287 62.300 -0.252 0.000 0.842 398 V CB 1.496 33.192 31.823 -0.210 0.000 0.996 398 V HN 0.868 nan 8.190 nan 0.000 0.426 399 E N 3.967 124.097 120.200 -0.118 0.000 2.175 399 E HA 0.623 4.973 4.350 0.000 0.000 0.278 399 E C -1.516 175.026 176.600 -0.097 0.000 0.969 399 E CA -0.492 55.869 56.400 -0.065 0.000 0.796 399 E CB 1.937 31.682 29.700 0.074 0.000 1.104 399 E HN 0.477 nan 8.360 nan 0.000 0.395 400 V N 5.668 125.477 119.914 -0.174 0.000 2.409 400 V HA 0.391 4.511 4.120 0.000 0.000 0.291 400 V C -0.128 175.659 176.094 -0.511 0.000 1.020 400 V CA -0.683 61.391 62.300 -0.376 0.000 0.848 400 V CB 1.417 32.913 31.823 -0.546 0.000 0.990 400 V HN 0.682 nan 8.190 nan 0.000 0.430 401 R N 4.163 124.428 120.500 -0.392 0.000 2.255 401 R HA 0.584 4.924 4.340 0.000 0.000 0.326 401 R C -1.073 175.019 176.300 -0.348 0.000 0.986 401 R CA -0.210 55.734 56.100 -0.260 0.000 0.847 401 R CB 1.183 31.454 30.300 -0.048 0.000 1.111 401 R HN 0.537 nan 8.270 nan 0.000 0.452 402 F N 0.987 120.951 119.950 0.024 0.000 2.411 402 F HA 0.282 4.810 4.527 0.000 0.000 0.324 402 F C 1.801 177.636 175.800 0.059 0.000 1.086 402 F CA -0.687 57.337 58.000 0.040 0.000 1.028 402 F CB 0.970 40.025 39.000 0.091 0.000 1.284 402 F HN 0.344 nan 8.300 nan 0.000 0.501 403 K N -0.042 120.524 120.400 0.277 0.000 2.098 403 K HA -0.019 4.301 4.320 0.000 0.000 0.203 403 K C 0.861 177.515 176.600 0.090 0.000 1.051 403 K CA 1.140 57.517 56.287 0.149 0.000 0.957 403 K CB 0.199 32.767 32.500 0.113 0.000 0.738 403 K HN 0.524 nan 8.250 nan 0.000 0.447 404 E N -0.503 119.732 120.200 0.058 0.000 2.538 404 E HA 0.143 4.493 4.350 0.000 0.000 0.207 404 E C -0.757 175.489 176.600 -0.589 0.000 1.002 404 E CA 0.062 56.302 56.400 -0.267 0.000 0.952 404 E CB 0.480 29.919 29.700 -0.435 0.000 1.031 404 E HN 0.075 nan 8.360 nan 0.000 0.476 405 F N -0.396 119.566 119.950 0.020 0.000 2.613 405 F HA 0.541 5.068 4.527 0.000 0.000 0.314 405 F C 1.099 176.835 175.800 -0.106 0.000 1.075 405 F CA -1.347 56.624 58.000 -0.048 0.000 0.945 405 F CB 0.967 39.865 39.000 -0.170 0.000 1.310 405 F HN -0.200 nan 8.300 nan 0.000 0.467 406 G N 0.544 109.256 108.800 -0.146 0.000 2.554 406 G HA2 0.379 4.339 3.960 0.000 0.000 0.238 406 G HA3 0.379 4.339 3.960 0.000 0.000 0.238 406 G C -0.095 174.673 174.900 -0.221 0.000 1.259 406 G CA -0.361 44.200 45.100 -0.898 0.000 0.843 406 G HN 0.788 nan 8.290 nan 0.000 0.582 407 S N -0.730 114.820 115.700 -0.250 0.000 2.580 407 S HA 0.425 4.895 4.470 0.000 0.000 0.266 407 S C -0.091 174.793 174.600 0.474 0.000 1.354 407 S CA -0.600 57.709 58.200 0.181 0.000 1.008 407 S CB 1.580 64.942 63.200 0.271 0.000 0.898 407 S HN 0.614 nan 8.310 nan 0.000 0.555 408 V N 2.020 122.165 119.914 0.385 0.000 2.709 408 V HA 0.647 4.767 4.120 0.000 0.000 0.308 408 V C -0.306 175.759 176.094 -0.050 0.000 1.062 408 V CA -0.960 61.509 62.300 0.282 0.000 0.901 408 V CB 1.956 33.978 31.823 0.332 0.000 1.003 408 V HN 1.088 nan 8.190 nan 0.000 0.425 409 R N 3.311 123.632 120.500 -0.299 0.000 2.686 409 R HA 0.964 5.304 4.340 0.000 0.000 0.286 409 R C -0.871 175.321 176.300 -0.181 0.000 0.969 409 R CA -0.621 55.306 56.100 -0.287 0.000 0.898 409 R CB 2.379 32.431 30.300 -0.412 0.000 1.183 409 R HN 0.769 nan 8.270 nan 0.000 0.456 410 A N 2.217 124.946 122.820 -0.151 0.000 2.527 410 A HA 0.618 4.938 4.320 0.000 0.000 0.293 410 A C -1.240 176.264 177.584 -0.133 0.000 1.117 410 A CA -1.120 50.850 52.037 -0.112 0.000 0.723 410 A CB 1.677 20.631 19.000 -0.076 0.000 1.313 410 A HN 0.564 nan 8.150 nan 0.000 0.411 411 K N 0.974 121.314 120.400 -0.101 0.000 2.211 411 K HA 0.574 4.894 4.320 0.000 0.000 0.275 411 K C -1.116 175.432 176.600 -0.085 0.000 1.024 411 K CA -0.241 55.986 56.287 -0.099 0.000 0.887 411 K CB 1.432 33.887 32.500 -0.075 0.000 1.084 411 K HN 0.398 nan 8.250 nan 0.000 0.463 412 V N 3.223 123.085 119.914 -0.087 0.000 2.656 412 V HA 0.369 4.489 4.120 0.000 0.000 0.307 412 V C 0.162 176.241 176.094 -0.024 0.000 1.051 412 V CA -0.976 61.278 62.300 -0.078 0.000 0.893 412 V CB 2.183 33.922 31.823 -0.140 0.000 0.999 412 V HN 0.432 nan 8.190 nan 0.000 0.426 413 V N 0.000 119.903 119.914 -0.018 0.000 2.409 413 V HA 0.000 4.120 4.120 0.000 0.000 0.244 413 V CA 0.000 62.313 62.300 0.022 0.000 1.235 413 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 413 V HN 0.000 nan 8.190 nan 0.000 0.556