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 1uf2_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVXX DATA SEQUENCE XXXXSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.828 176.300 0.881 0.000 1.140 1 M CA 0.000 55.706 55.300 0.677 0.000 0.988 1 M CB 0.000 32.785 32.600 0.308 0.000 1.302 2 S N 1.693 117.700 115.700 0.513 0.000 2.599 2 S HA -0.048 4.422 4.470 -0.000 0.000 0.303 2 S C 1.156 175.976 174.600 0.366 0.000 1.267 2 S CA 0.677 59.086 58.200 0.349 0.000 1.055 2 S CB 0.421 63.729 63.200 0.181 0.000 0.790 2 S HN 0.563 nan 8.310 nan 0.000 0.500 3 R N 2.827 123.273 120.500 -0.090 0.000 2.170 3 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 3 R C 1.896 178.178 176.300 -0.030 0.000 1.145 3 R CA 1.790 57.613 56.100 -0.461 0.000 0.984 3 R CB -0.369 29.268 30.300 -1.104 0.000 0.869 3 R HN 0.618 nan 8.270 nan 0.000 0.455 4 Q N 1.325 121.136 119.800 0.020 0.000 2.020 4 Q HA 0.026 4.366 4.340 -0.000 0.000 0.198 4 Q C 2.147 178.248 176.000 0.169 0.000 0.974 4 Q CA 1.865 57.710 55.803 0.071 0.000 0.829 4 Q CB -0.172 28.584 28.738 0.030 0.000 0.894 4 Q HN 0.414 nan 8.270 nan 0.000 0.433 5 M N -1.392 118.318 119.600 0.182 0.000 2.337 5 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 5 M C 1.293 177.695 176.300 0.171 0.000 1.067 5 M CA 1.373 56.760 55.300 0.146 0.000 1.074 5 M CB -0.328 32.346 32.600 0.124 0.000 1.395 5 M HN 0.260 nan 8.290 nan 0.000 0.431 6 W N 0.272 121.714 121.300 0.238 0.000 2.452 6 W HA -0.016 4.644 4.660 -0.000 0.000 0.313 6 W C 2.047 178.749 176.519 0.304 0.000 1.176 6 W CA 0.826 58.357 57.345 0.310 0.000 1.350 6 W CB -0.391 29.332 29.460 0.438 0.000 1.148 6 W HN 0.016 nan 8.180 nan 0.000 0.498 7 L N -0.178 121.347 121.223 0.504 0.000 2.042 7 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 7 L C 1.915 178.966 176.870 0.300 0.000 1.076 7 L CA 1.625 56.714 54.840 0.416 0.000 0.749 7 L CB -1.009 41.254 42.059 0.341 0.000 0.893 7 L HN -0.078 nan 8.230 nan 0.000 0.432 8 D N -0.679 119.849 120.400 0.212 0.000 2.203 8 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 8 D C 2.013 178.327 176.300 0.022 0.000 0.997 8 D CA 1.532 55.580 54.000 0.081 0.000 0.863 8 D CB 0.151 40.987 40.800 0.061 0.000 0.928 8 D HN 0.248 nan 8.370 nan 0.000 0.458 9 T N -1.923 112.683 114.554 0.087 0.000 2.983 9 T HA -0.074 4.276 4.350 -0.000 0.000 0.250 9 T C 1.866 176.582 174.700 0.026 0.000 1.037 9 T CA 0.925 63.050 62.100 0.042 0.000 1.142 9 T CB -0.276 68.632 68.868 0.067 0.000 0.876 9 T HN 0.061 nan 8.240 nan 0.000 0.455 10 S N 1.663 117.488 115.700 0.208 0.000 2.420 10 S HA -0.136 4.334 4.470 -0.000 0.000 0.237 10 S C 2.171 176.782 174.600 0.020 0.000 1.023 10 S CA 1.416 59.714 58.200 0.163 0.000 0.991 10 S CB -0.401 63.065 63.200 0.444 0.000 0.792 10 S HN 0.489 nan 8.310 nan 0.000 0.488 11 A N 0.543 123.342 122.820 -0.035 0.000 2.021 11 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 11 A C 2.041 179.520 177.584 -0.174 0.000 1.163 11 A CA 1.053 52.964 52.037 -0.210 0.000 0.676 11 A CB -0.552 18.085 19.000 -0.604 0.000 0.818 11 A HN 0.573 nan 8.150 nan 0.000 0.453 12 L N -0.205 120.933 121.223 -0.141 0.000 2.044 12 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 12 L C 2.144 178.944 176.870 -0.116 0.000 1.075 12 L CA 1.595 56.354 54.840 -0.135 0.000 0.747 12 L CB -0.598 41.391 42.059 -0.117 0.000 0.903 12 L HN 0.360 nan 8.230 nan 0.000 0.435 13 L N -0.469 120.669 121.223 -0.142 0.000 2.046 13 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 13 L C 2.482 179.332 176.870 -0.033 0.000 1.077 13 L CA 1.649 56.418 54.840 -0.119 0.000 0.747 13 L CB -0.610 41.264 42.059 -0.310 0.000 0.896 13 L HN 0.402 nan 8.230 nan 0.000 0.432 14 E N 0.155 120.331 120.200 -0.040 0.000 2.409 14 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 14 E C 1.958 178.590 176.600 0.054 0.000 1.024 14 E CA 0.779 57.200 56.400 0.035 0.000 0.861 14 E CB 0.176 29.907 29.700 0.051 0.000 0.788 14 E HN 0.470 nan 8.360 nan 0.000 0.521 15 A N 0.222 123.046 122.820 0.007 0.000 1.956 15 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 15 A C 1.959 179.581 177.584 0.063 0.000 1.188 15 A CA 0.182 52.232 52.037 0.022 0.000 0.675 15 A CB -0.115 18.833 19.000 -0.088 0.000 0.845 15 A HN 0.256 nan 8.150 nan 0.000 0.455 16 I N -0.293 120.288 120.570 0.019 0.000 2.315 16 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 16 I C 2.801 179.011 176.117 0.155 0.000 1.117 16 I CA 1.371 62.694 61.300 0.038 0.000 1.404 16 I CB -0.251 37.776 38.000 0.045 0.000 1.071 16 I HN 0.437 nan 8.210 nan 0.000 0.419 17 S N 0.993 116.795 115.700 0.169 0.000 2.351 17 S HA -0.306 4.164 4.470 -0.000 0.000 0.220 17 S C 2.091 176.788 174.600 0.162 0.000 1.035 17 S CA 2.138 60.451 58.200 0.188 0.000 1.031 17 S CB -0.382 62.914 63.200 0.161 0.000 0.928 17 S HN 0.572 nan 8.310 nan 0.000 0.433 18 E N -0.915 119.378 120.200 0.156 0.000 2.049 18 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 18 E C 1.907 178.568 176.600 0.101 0.000 1.007 18 E CA 1.758 58.236 56.400 0.130 0.000 0.809 18 E CB -0.564 29.229 29.700 0.154 0.000 0.749 18 E HN 0.729 nan 8.360 nan 0.000 0.450 19 Y N 0.267 120.579 120.300 0.021 0.000 2.333 19 Y HA -0.140 4.410 4.550 -0.000 0.000 0.290 19 Y C 2.302 178.230 175.900 0.046 0.000 1.144 19 Y CA 0.985 59.091 58.100 0.010 0.000 1.228 19 Y CB -0.034 38.394 38.460 -0.053 0.000 0.985 19 Y HN -0.001 nan 8.280 nan 0.000 0.542 20 V N -1.282 118.744 119.914 0.187 0.000 2.307 20 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 20 V C 2.164 178.328 176.094 0.118 0.000 1.045 20 V CA 1.622 64.031 62.300 0.181 0.000 1.024 20 V CB -0.774 31.178 31.823 0.215 0.000 0.651 20 V HN 0.196 nan 8.190 nan 0.000 0.449 21 V N 0.094 120.061 119.914 0.087 0.000 2.660 21 V HA -0.266 3.854 4.120 -0.000 0.000 0.257 21 V C 2.421 178.524 176.094 0.016 0.000 1.088 21 V CA 1.851 64.181 62.300 0.049 0.000 1.106 21 V CB -1.028 30.818 31.823 0.038 0.000 0.686 21 V HN 0.502 nan 8.190 nan 0.000 0.481 22 R N -1.035 119.457 120.500 -0.014 0.000 2.173 22 R HA 0.015 4.355 4.340 -0.000 0.000 0.208 22 R C 2.010 178.319 176.300 0.015 0.000 1.035 22 R CA 1.338 57.406 56.100 -0.052 0.000 1.004 22 R CB -0.272 29.905 30.300 -0.206 0.000 0.917 22 R HN 0.498 nan 8.270 nan 0.000 0.462 23 C N 0.268 119.609 119.300 0.068 0.000 2.673 23 C HA 0.086 4.546 4.460 -0.000 0.000 0.264 23 C C 1.084 176.099 174.990 0.043 0.000 1.304 23 C CA -0.871 58.206 59.018 0.099 0.000 1.727 23 C CB -1.549 26.314 27.740 0.203 0.000 1.932 23 C HN 0.450 nan 8.230 nan 0.000 0.563 24 N N 0.938 119.662 118.700 0.040 0.000 2.417 24 N HA 0.270 5.010 4.740 -0.000 0.000 0.272 24 N C 1.271 176.774 175.510 -0.012 0.000 1.304 24 N CA 0.894 53.950 53.050 0.011 0.000 0.906 24 N CB 0.095 38.596 38.487 0.025 0.000 1.135 24 N HN 0.558 nan 8.380 nan 0.000 0.483 25 G N 3.399 112.155 108.800 -0.073 0.000 2.184 25 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 25 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 25 G C 0.238 175.078 174.900 -0.101 0.000 0.975 25 G CA 0.347 45.380 45.100 -0.113 0.000 0.642 25 G HN 0.711 nan 8.290 nan 0.000 0.536 26 D N 0.702 121.104 120.400 0.003 0.000 2.440 26 D HA 0.222 4.862 4.640 -0.000 0.000 0.216 26 D C 0.658 177.078 176.300 0.200 0.000 1.150 26 D CA 0.682 54.856 54.000 0.290 0.000 0.832 26 D CB 0.367 41.298 40.800 0.218 0.000 0.992 26 D HN 0.384 nan 8.370 nan 0.000 0.502 27 T N 0.737 115.171 114.554 -0.200 0.000 2.794 27 T HA 0.381 4.731 4.350 -0.000 0.000 0.304 27 T C 0.033 174.501 174.700 -0.386 0.000 0.973 27 T CA -0.437 61.503 62.100 -0.266 0.000 0.972 27 T CB -0.020 68.620 68.868 -0.380 0.000 0.952 27 T HN -0.192 nan 8.240 nan 0.000 0.509 28 F N 0.842 120.718 119.950 -0.124 0.000 2.497 28 F HA 0.602 5.129 4.527 -0.000 0.000 0.331 28 F C 1.004 176.760 175.800 -0.073 0.000 1.060 28 F CA -1.345 56.608 58.000 -0.079 0.000 0.989 28 F CB 1.491 40.464 39.000 -0.045 0.000 1.245 28 F HN 0.349 nan 8.300 nan 0.000 0.486 29 S N 0.131 115.910 115.700 0.131 0.000 2.475 29 S HA 0.485 4.955 4.470 -0.000 0.000 0.281 29 S C 0.683 175.332 174.600 0.081 0.000 1.198 29 S CA 0.436 58.675 58.200 0.065 0.000 1.063 29 S CB 0.151 63.371 63.200 0.034 0.000 0.972 29 S HN 1.101 nan 8.310 nan 0.000 0.486 30 G N 3.230 112.067 108.800 0.063 0.000 2.234 30 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.235 30 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.235 30 G C -0.260 174.674 174.900 0.055 0.000 0.997 30 G CA 0.180 45.312 45.100 0.054 0.000 0.623 30 G HN 0.855 nan 8.290 nan 0.000 0.514 31 L N 2.806 124.073 121.223 0.073 0.000 2.287 31 L HA 0.762 5.102 4.340 -0.000 0.000 0.287 31 L C 0.090 177.020 176.870 0.099 0.000 1.022 31 L CA -0.238 54.643 54.840 0.068 0.000 0.814 31 L CB 1.665 43.754 42.059 0.050 0.000 1.217 31 L HN 0.107 nan 8.230 nan 0.000 0.420 32 T N 2.805 117.415 114.554 0.093 0.000 2.762 32 T HA 0.263 4.613 4.350 -0.000 0.000 0.303 32 T C 0.195 174.968 174.700 0.121 0.000 0.977 32 T CA -0.281 61.896 62.100 0.129 0.000 0.961 32 T CB 0.361 69.287 68.868 0.098 0.000 0.944 32 T HN 0.698 nan 8.240 nan 0.000 0.481 33 T N 1.935 116.593 114.554 0.173 0.000 2.882 33 T HA 0.474 4.824 4.350 -0.000 0.000 0.287 33 T C 1.731 176.521 174.700 0.151 0.000 0.992 33 T CA -0.191 61.999 62.100 0.150 0.000 1.076 33 T CB 0.962 69.933 68.868 0.171 0.000 0.961 33 T HN 0.583 nan 8.240 nan 0.000 0.490 34 G N 3.427 112.288 108.800 0.103 0.000 2.469 34 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 34 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 34 G C 1.157 176.140 174.900 0.137 0.000 1.150 34 G CA 0.921 46.077 45.100 0.092 0.000 0.763 34 G HN 0.770 nan 8.290 nan 0.000 0.561 35 D N -0.234 120.259 120.400 0.155 0.000 2.084 35 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 35 D C 2.000 178.467 176.300 0.278 0.000 0.990 35 D CA 0.596 54.720 54.000 0.207 0.000 0.826 35 D CB -0.442 40.404 40.800 0.077 0.000 0.971 35 D HN 0.248 nan 8.370 nan 0.000 0.453 36 F N 1.557 121.568 119.950 0.102 0.000 2.113 36 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 36 F C 1.989 177.817 175.800 0.047 0.000 1.103 36 F CA 1.132 59.181 58.000 0.082 0.000 1.248 36 F CB -0.566 38.482 39.000 0.079 0.000 0.999 36 F HN -0.153 nan 8.300 nan 0.000 0.475 37 N N 0.242 118.905 118.700 -0.062 0.000 2.258 37 N HA -0.174 4.566 4.740 -0.000 0.000 0.187 37 N C 1.701 177.073 175.510 -0.230 0.000 1.012 37 N CA 1.377 54.320 53.050 -0.178 0.000 0.870 37 N CB -0.307 38.162 38.487 -0.030 0.000 0.977 37 N HN 0.416 nan 8.380 nan 0.000 0.434 38 A N -0.091 122.634 122.820 -0.158 0.000 1.855 38 A HA 0.025 4.345 4.320 -0.000 0.000 0.213 38 A C 2.071 179.429 177.584 -0.376 0.000 1.195 38 A CA 0.835 52.735 52.037 -0.228 0.000 0.610 38 A CB -0.946 17.954 19.000 -0.167 0.000 0.837 38 A HN 0.311 nan 8.150 nan 0.000 0.444 39 L N 0.178 121.213 121.223 -0.314 0.000 2.051 39 L HA -0.181 4.159 4.340 -0.000 0.000 0.214 39 L C 2.515 178.900 176.870 -0.808 0.000 1.076 39 L CA 2.624 57.172 54.840 -0.486 0.000 0.758 39 L CB -0.761 41.181 42.059 -0.194 0.000 0.890 39 L HN 0.341 nan 8.230 nan 0.000 0.433 40 S N -0.634 114.649 115.700 -0.696 0.000 2.383 40 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 40 S C 1.789 176.198 174.600 -0.319 0.000 1.030 40 S CA 1.630 59.508 58.200 -0.536 0.000 1.002 40 S CB -0.405 62.392 63.200 -0.671 0.000 0.829 40 S HN 0.655 nan 8.310 nan 0.000 0.467 41 N N 0.334 118.836 118.700 -0.329 0.000 2.424 41 N HA 0.162 4.902 4.740 -0.000 0.000 0.178 41 N C 1.285 176.654 175.510 -0.235 0.000 1.060 41 N CA 0.463 53.381 53.050 -0.220 0.000 0.901 41 N CB -0.152 38.219 38.487 -0.193 0.000 0.979 41 N HN 0.496 nan 8.380 nan 0.000 0.451 42 M N -0.846 118.524 119.600 -0.384 0.000 2.619 42 M HA 0.070 4.550 4.480 -0.000 0.000 0.251 42 M C 0.956 177.120 176.300 -0.227 0.000 1.106 42 M CA 0.810 55.897 55.300 -0.356 0.000 1.086 42 M CB -0.069 32.244 32.600 -0.479 0.000 1.465 42 M HN 0.063 nan 8.290 nan 0.000 0.506 43 F N -0.635 119.247 119.950 -0.113 0.000 2.317 43 F HA -0.021 4.506 4.527 -0.000 0.000 0.290 43 F C 2.345 178.099 175.800 -0.077 0.000 1.075 43 F CA 0.441 58.388 58.000 -0.088 0.000 1.380 43 F CB -0.195 38.754 39.000 -0.084 0.000 1.093 43 F HN 0.016 nan 8.300 nan 0.000 0.524 44 T N -0.232 114.381 114.554 0.097 0.000 2.946 44 T HA -0.182 4.168 4.350 -0.000 0.000 0.271 44 T C 1.587 176.281 174.700 -0.011 0.000 1.104 44 T CA 0.937 63.050 62.100 0.022 0.000 1.114 44 T CB -0.236 68.619 68.868 -0.021 0.000 0.867 44 T HN 0.224 nan 8.240 nan 0.000 0.513 45 Q N -0.087 119.702 119.800 -0.019 0.000 2.425 45 Q HA 0.213 4.553 4.340 -0.000 0.000 0.204 45 Q C 1.407 177.384 176.000 -0.037 0.000 0.933 45 Q CA 0.454 56.230 55.803 -0.045 0.000 0.939 45 Q CB 0.082 28.777 28.738 -0.071 0.000 1.044 45 Q HN 0.449 nan 8.270 nan 0.000 0.513 46 L N -0.713 120.516 121.223 0.010 0.000 2.556 46 L HA 0.121 4.461 4.340 -0.000 0.000 0.226 46 L C 1.103 177.926 176.870 -0.079 0.000 1.089 46 L CA 0.541 55.397 54.840 0.027 0.000 0.864 46 L CB 0.512 42.683 42.059 0.186 0.000 1.067 46 L HN -0.136 nan 8.230 nan 0.000 0.477 47 S N 0.374 116.042 115.700 -0.053 0.000 2.891 47 S HA 0.404 4.874 4.470 -0.000 0.000 0.186 47 S C 0.186 174.727 174.600 -0.098 0.000 1.401 47 S CA -0.533 57.617 58.200 -0.082 0.000 1.035 47 S CB -0.512 62.672 63.200 -0.026 0.000 1.293 47 S HN -0.054 nan 8.310 nan 0.000 0.493 56 D N 2.947 123.306 120.400 -0.067 0.000 2.454 56 D HA 0.433 5.073 4.640 -0.000 0.000 0.247 56 D C -1.960 174.210 176.300 -0.216 0.000 1.129 56 D CA -2.107 51.827 54.000 -0.110 0.000 0.877 56 D CB 1.834 42.591 40.800 -0.072 0.000 1.082 56 D HN 0.040 nan 8.370 nan 0.000 0.537 57 P HA -0.122 nan 4.420 nan 0.000 0.222 57 P C 1.114 178.113 177.300 -0.501 0.000 1.147 57 P CA 0.576 63.226 63.100 -0.750 0.000 0.790 57 P CB 0.627 31.418 31.700 -1.515 0.000 0.780 58 R N -0.163 120.152 120.500 -0.307 0.000 2.081 58 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 58 R C 2.411 178.625 176.300 -0.145 0.000 1.131 58 R CA 1.086 57.064 56.100 -0.205 0.000 0.960 58 R CB -1.249 28.989 30.300 -0.104 0.000 0.856 58 R HN 0.065 nan 8.270 nan 0.000 0.436 59 V N 2.260 122.104 119.914 -0.117 0.000 2.217 59 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 59 V C -0.662 175.411 176.094 -0.034 0.000 1.050 59 V CA 2.359 64.624 62.300 -0.057 0.000 1.007 59 V CB -1.316 30.478 31.823 -0.048 0.000 0.639 59 V HN 0.308 nan 8.190 nan 0.000 0.452 60 P HA -0.170 nan 4.420 nan 0.000 0.216 60 P C 1.996 179.306 177.300 0.015 0.000 1.150 60 P CA 1.741 64.855 63.100 0.023 0.000 0.837 60 P CB -0.056 31.651 31.700 0.012 0.000 0.786 61 L N -0.416 120.734 121.223 -0.123 0.000 2.017 61 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 61 L C 3.218 180.097 176.870 0.015 0.000 1.073 61 L CA 1.808 56.537 54.840 -0.186 0.000 0.745 61 L CB -0.941 40.733 42.059 -0.641 0.000 0.894 61 L HN 0.055 nan 8.230 nan 0.000 0.432 62 Q N -0.521 119.297 119.800 0.028 0.000 2.020 62 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 62 Q C 2.035 178.131 176.000 0.160 0.000 0.982 62 Q CA 2.373 58.261 55.803 0.142 0.000 0.838 62 Q CB -0.078 28.707 28.738 0.079 0.000 0.899 62 Q HN 0.371 nan 8.270 nan 0.000 0.423 63 T N 1.666 116.292 114.554 0.120 0.000 2.699 63 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 63 T C 1.687 176.493 174.700 0.176 0.000 1.036 63 T CA 1.682 63.876 62.100 0.156 0.000 1.147 63 T CB -0.277 68.688 68.868 0.162 0.000 0.862 63 T HN 0.374 nan 8.240 nan 0.000 0.446 64 M N 0.877 120.533 119.600 0.093 0.000 2.059 64 M HA -0.140 4.340 4.480 -0.000 0.000 0.259 64 M C 2.482 178.882 176.300 0.167 0.000 1.072 64 M CA 1.700 56.927 55.300 -0.121 0.000 1.117 64 M CB -0.460 31.944 32.600 -0.327 0.000 1.320 64 M HN 0.168 nan 8.290 nan 0.000 0.408 65 S N 1.440 117.296 115.700 0.260 0.000 2.372 65 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 65 S C 1.465 176.318 174.600 0.423 0.000 1.044 65 S CA 1.836 60.269 58.200 0.389 0.000 1.050 65 S CB -0.733 62.733 63.200 0.443 0.000 0.901 65 S HN 0.534 nan 8.310 nan 0.000 0.447 66 N N 1.342 120.287 118.700 0.408 0.000 2.018 66 N HA -0.061 4.679 4.740 -0.000 0.000 0.196 66 N C 1.717 177.400 175.510 0.290 0.000 1.043 66 N CA 1.347 54.654 53.050 0.429 0.000 0.856 66 N CB -0.532 38.137 38.487 0.303 0.000 1.042 66 N HN 0.389 nan 8.380 nan 0.000 0.423 67 M N -0.434 119.320 119.600 0.257 0.000 2.149 67 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 67 M C 1.914 178.216 176.300 0.002 0.000 1.064 67 M CA 1.115 56.547 55.300 0.221 0.000 1.102 67 M CB -0.292 32.548 32.600 0.400 0.000 1.369 67 M HN 0.071 nan 8.290 nan 0.000 0.408 68 F N 0.669 120.488 119.950 -0.219 0.000 2.095 68 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 68 F C 1.970 177.652 175.800 -0.198 0.000 1.104 68 F CA 1.512 59.185 58.000 -0.545 0.000 1.232 68 F CB -0.586 38.294 39.000 -0.199 0.000 0.987 68 F HN -0.187 nan 8.300 nan 0.000 0.475 69 V N -0.530 119.220 119.914 -0.273 0.000 2.343 69 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 69 V C 2.701 178.657 176.094 -0.230 0.000 1.051 69 V CA 2.007 64.091 62.300 -0.360 0.000 1.036 69 V CB -1.171 30.346 31.823 -0.511 0.000 0.654 69 V HN 0.523 nan 8.190 nan 0.000 0.451 70 S N -0.744 114.904 115.700 -0.086 0.000 2.370 70 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 70 S C 1.858 176.411 174.600 -0.077 0.000 1.033 70 S CA 2.128 60.315 58.200 -0.022 0.000 1.011 70 S CB -0.399 62.844 63.200 0.072 0.000 0.852 70 S HN 0.592 nan 8.310 nan 0.000 0.457 71 F N 1.457 121.218 119.950 -0.315 0.000 2.053 71 F HA 0.074 4.601 4.527 -0.000 0.000 0.292 71 F C 1.800 177.371 175.800 -0.382 0.000 1.125 71 F CA 1.341 59.147 58.000 -0.325 0.000 1.193 71 F CB -0.622 38.089 39.000 -0.482 0.000 0.996 71 F HN 0.227 nan 8.300 nan 0.000 0.470 72 I N 0.367 120.662 120.570 -0.458 0.000 3.164 72 I HA -0.189 3.981 4.170 -0.000 0.000 0.278 72 I C 1.774 177.579 176.117 -0.520 0.000 1.320 72 I CA 1.410 62.360 61.300 -0.583 0.000 1.422 72 I CB -0.920 36.581 38.000 -0.831 0.000 1.066 72 I HN 0.266 nan 8.210 nan 0.000 0.503 73 T N -1.639 112.660 114.554 -0.424 0.000 3.010 73 T HA 0.073 4.423 4.350 -0.000 0.000 0.252 73 T C 0.960 175.473 174.700 -0.311 0.000 1.047 73 T CA 0.587 62.477 62.100 -0.350 0.000 1.140 73 T CB 0.024 68.762 68.868 -0.216 0.000 0.885 73 T HN 0.287 nan 8.240 nan 0.000 0.464 74 S N 1.630 117.149 115.700 -0.301 0.000 2.400 74 S HA 0.146 4.616 4.470 -0.000 0.000 0.295 74 S C 1.256 175.685 174.600 -0.285 0.000 1.113 74 S CA -0.441 57.611 58.200 -0.247 0.000 1.064 74 S CB 0.336 63.426 63.200 -0.183 0.000 0.990 74 S HN 0.300 nan 8.310 nan 0.000 0.502 75 T N 4.080 118.490 114.554 -0.239 0.000 2.869 75 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 75 T C 1.195 175.787 174.700 -0.181 0.000 1.082 75 T CA 1.392 63.360 62.100 -0.221 0.000 1.123 75 T CB -0.202 68.563 68.868 -0.171 0.000 0.856 75 T HN 0.618 nan 8.240 nan 0.000 0.499 76 D N 0.621 120.928 120.400 -0.154 0.000 2.149 76 D HA 0.004 4.644 4.640 -0.000 0.000 0.201 76 D C 2.363 178.596 176.300 -0.111 0.000 0.972 76 D CA 0.913 54.849 54.000 -0.107 0.000 0.835 76 D CB 0.081 40.834 40.800 -0.078 0.000 0.966 76 D HN 0.419 nan 8.370 nan 0.000 0.476 77 R N 0.132 120.520 120.500 -0.186 0.000 2.048 77 R HA 0.030 4.370 4.340 -0.000 0.000 0.221 77 R C 2.397 178.512 176.300 -0.309 0.000 1.174 77 R CA 1.104 57.081 56.100 -0.205 0.000 0.971 77 R CB -0.496 29.654 30.300 -0.250 0.000 0.863 77 R HN 0.229 nan 8.270 nan 0.000 0.439 78 C N 0.474 119.336 119.300 -0.731 0.000 2.449 78 C HA 0.336 4.796 4.460 -0.000 0.000 0.322 78 C C 1.993 176.783 174.990 -0.332 0.000 1.309 78 C CA -0.717 57.868 59.018 -0.720 0.000 1.657 78 C CB -1.281 25.762 27.740 -1.161 0.000 1.718 78 C HN 0.536 nan 8.230 nan 0.000 0.596 79 G N 1.160 109.856 108.800 -0.175 0.000 2.408 79 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 79 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 79 G C 1.267 176.114 174.900 -0.089 0.000 1.150 79 G CA 1.077 46.094 45.100 -0.138 0.000 0.776 79 G HN 0.862 nan 8.290 nan 0.000 0.542 80 Y N -0.223 119.996 120.300 -0.134 0.000 2.315 80 Y HA 0.027 4.577 4.550 -0.000 0.000 0.288 80 Y C 2.443 178.238 175.900 -0.174 0.000 1.154 80 Y CA 1.260 59.313 58.100 -0.079 0.000 1.229 80 Y CB -0.248 38.217 38.460 0.008 0.000 0.980 80 Y HN 0.145 nan 8.280 nan 0.000 0.540 81 M N 0.489 119.389 119.600 -1.167 0.000 2.619 81 M HA 0.040 4.520 4.480 -0.000 0.000 0.251 81 M C 0.774 176.686 176.300 -0.646 0.000 1.106 81 M CA 0.896 55.284 55.300 -1.520 0.000 1.086 81 M CB 0.058 31.659 32.600 -1.666 0.000 1.465 81 M HN 0.379 nan 8.290 nan 0.000 0.506 82 L N -0.458 120.539 121.223 -0.378 0.000 2.741 82 L HA 0.226 4.566 4.340 -0.000 0.000 0.237 82 L C 0.169 176.958 176.870 -0.136 0.000 1.178 82 L CA -0.152 54.537 54.840 -0.252 0.000 0.973 82 L CB -0.201 41.699 42.059 -0.264 0.000 1.255 82 L HN 0.124 nan 8.230 nan 0.000 0.498 83 R N 0.644 121.126 120.500 -0.031 0.000 2.532 83 R HA 0.204 4.544 4.340 -0.000 0.000 0.295 83 R C 1.082 177.389 176.300 0.013 0.000 0.968 83 R CA -0.556 55.512 56.100 -0.054 0.000 0.916 83 R CB 1.466 31.762 30.300 -0.006 0.000 1.124 83 R HN 0.063 nan 8.270 nan 0.000 0.463 84 K N 0.361 120.583 120.400 -0.296 0.000 2.173 84 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 84 K C 1.042 177.717 176.600 0.124 0.000 1.046 84 K CA 2.052 58.197 56.287 -0.237 0.000 0.929 84 K CB -0.336 31.924 32.500 -0.400 0.000 0.720 84 K HN 0.411 nan 8.250 nan 0.000 0.453 85 T N 0.445 115.065 114.554 0.110 0.000 2.803 85 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 85 T C 1.201 176.024 174.700 0.206 0.000 1.052 85 T CA 1.524 63.713 62.100 0.147 0.000 1.136 85 T CB -0.329 68.620 68.868 0.136 0.000 0.864 85 T HN 0.562 nan 8.240 nan 0.000 0.467 86 W N 0.536 121.876 121.300 0.066 0.000 2.436 86 W HA 0.104 4.764 4.660 -0.000 0.000 0.284 86 W C 1.653 178.186 176.519 0.024 0.000 1.225 86 W CA 0.068 57.438 57.345 0.042 0.000 1.271 86 W CB -0.337 29.107 29.460 -0.026 0.000 1.114 86 W HN 0.224 nan 8.180 nan 0.000 0.559 87 F N 0.753 120.655 119.950 -0.081 0.000 2.387 87 F HA 0.055 4.582 4.527 -0.000 0.000 0.294 87 F C 2.053 177.735 175.800 -0.196 0.000 1.093 87 F CA 1.360 59.168 58.000 -0.321 0.000 1.420 87 F CB -0.499 38.291 39.000 -0.350 0.000 1.086 87 F HN -0.238 nan 8.300 nan 0.000 0.531 88 N N -0.517 118.205 118.700 0.038 0.000 2.416 88 N HA -0.034 4.706 4.740 -0.000 0.000 0.177 88 N C 0.269 175.724 175.510 -0.093 0.000 1.036 88 N CA 0.777 53.824 53.050 -0.006 0.000 0.901 88 N CB 0.267 38.821 38.487 0.112 0.000 0.976 88 N HN 0.186 nan 8.380 nan 0.000 0.444 89 S N -0.419 115.218 115.700 -0.105 0.000 2.588 89 S HA 0.235 4.705 4.470 -0.000 0.000 0.275 89 S C -1.506 173.026 174.600 -0.114 0.000 1.130 89 S CA -0.729 57.417 58.200 -0.091 0.000 0.855 89 S CB 1.432 64.622 63.200 -0.015 0.000 1.116 89 S HN -0.059 nan 8.310 nan 0.000 0.472 90 D N 2.358 122.710 120.400 -0.080 0.000 2.881 90 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 90 D C -0.428 175.878 176.300 0.011 0.000 1.249 90 D CA 0.173 54.141 54.000 -0.054 0.000 0.839 90 D CB 0.106 40.876 40.800 -0.051 0.000 1.042 90 D HN 0.354 nan 8.370 nan 0.000 0.475 91 T N 1.059 115.638 114.554 0.041 0.000 2.749 91 T HA 0.103 4.453 4.350 -0.000 0.000 0.295 91 T C 0.684 175.463 174.700 0.131 0.000 0.936 91 T CA -0.457 61.691 62.100 0.079 0.000 1.060 91 T CB 1.114 70.035 68.868 0.089 0.000 0.904 91 T HN -0.063 nan 8.240 nan 0.000 0.500 92 K N 5.041 125.508 120.400 0.112 0.000 2.361 92 K HA 0.143 4.463 4.320 -0.000 0.000 0.283 92 K C -2.245 174.445 176.600 0.149 0.000 1.078 92 K CA -1.061 55.306 56.287 0.134 0.000 1.041 92 K CB -0.087 32.467 32.500 0.090 0.000 0.932 92 K HN 0.350 nan 8.250 nan 0.000 0.462 93 P HA 0.015 nan 4.420 nan 0.000 0.275 93 P C -0.528 176.820 177.300 0.080 0.000 1.227 93 P CA -0.428 62.784 63.100 0.187 0.000 0.781 93 P CB 0.686 32.579 31.700 0.322 0.000 0.906 94 T N -0.766 113.822 114.554 0.056 0.000 3.364 94 T HA 0.458 4.808 4.350 -0.000 0.000 0.323 94 T C -0.011 174.679 174.700 -0.016 0.000 1.323 94 T CA -0.619 61.495 62.100 0.022 0.000 1.073 94 T CB -0.945 67.941 68.868 0.030 0.000 1.150 94 T HN 0.266 nan 8.240 nan 0.000 0.727 95 V N -0.602 119.272 119.914 -0.066 0.000 2.569 95 V HA 0.810 4.930 4.120 -0.000 0.000 0.301 95 V C -0.247 175.806 176.094 -0.068 0.000 1.044 95 V CA -1.123 61.109 62.300 -0.113 0.000 0.874 95 V CB 1.574 33.200 31.823 -0.330 0.000 1.002 95 V HN 0.691 nan 8.190 nan 0.000 0.424 96 S N 2.361 118.050 115.700 -0.020 0.000 2.461 96 S HA 0.641 5.111 4.470 -0.000 0.000 0.322 96 S C -0.695 173.933 174.600 0.048 0.000 1.063 96 S CA -0.413 57.794 58.200 0.010 0.000 1.120 96 S CB 1.026 64.234 63.200 0.013 0.000 0.968 96 S HN 0.978 nan 8.310 nan 0.000 0.467 97 D N 2.184 122.635 120.400 0.085 0.000 2.788 97 D HA 0.194 4.834 4.640 -0.000 0.000 0.247 97 D C -0.021 176.382 176.300 0.170 0.000 1.236 97 D CA -0.354 53.748 54.000 0.170 0.000 0.898 97 D CB 1.940 42.927 40.800 0.312 0.000 1.401 97 D HN 0.326 nan 8.370 nan 0.000 0.549 98 D N 2.410 122.908 120.400 0.164 0.000 2.191 98 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 98 D C 1.534 177.942 176.300 0.179 0.000 1.007 98 D CA 1.195 55.282 54.000 0.145 0.000 0.865 98 D CB -0.194 40.702 40.800 0.159 0.000 0.929 98 D HN 0.487 nan 8.370 nan 0.000 0.447 99 F N 0.949 120.978 119.950 0.131 0.000 2.026 99 F HA -0.154 4.373 4.527 -0.000 0.000 0.296 99 F C 2.384 178.198 175.800 0.023 0.000 1.133 99 F CA 1.254 59.324 58.000 0.117 0.000 1.188 99 F CB -0.590 38.395 39.000 -0.025 0.000 0.968 99 F HN -0.093 nan 8.300 nan 0.000 0.476 100 I N -0.204 120.370 120.570 0.008 0.000 2.145 100 I HA -0.419 3.751 4.170 -0.000 0.000 0.244 100 I C 2.261 178.276 176.117 -0.170 0.000 1.075 100 I CA 2.037 63.263 61.300 -0.123 0.000 1.332 100 I CB -0.801 37.255 38.000 0.093 0.000 1.033 100 I HN 0.261 nan 8.210 nan 0.000 0.410 101 T N -0.292 114.210 114.554 -0.087 0.000 2.652 101 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 101 T C 1.833 176.421 174.700 -0.187 0.000 1.039 101 T CA 2.152 64.191 62.100 -0.102 0.000 1.153 101 T CB -0.367 68.470 68.868 -0.052 0.000 0.863 101 T HN 0.387 nan 8.240 nan 0.000 0.428 102 T N 0.172 114.576 114.554 -0.250 0.000 2.904 102 T HA 0.031 4.381 4.350 -0.000 0.000 0.267 102 T C 1.325 175.612 174.700 -0.687 0.000 1.059 102 T CA 0.998 62.827 62.100 -0.452 0.000 1.137 102 T CB -0.185 68.368 68.868 -0.524 0.000 0.879 102 T HN 0.502 nan 8.240 nan 0.000 0.467 103 Y N -0.255 119.761 120.300 -0.472 0.000 2.609 103 Y HA 0.382 4.932 4.550 -0.000 0.000 0.281 103 Y C 0.703 176.322 175.900 -0.468 0.000 1.132 103 Y CA -0.655 57.145 58.100 -0.499 0.000 1.264 103 Y CB 0.549 38.577 38.460 -0.722 0.000 1.325 103 Y HN 0.006 nan 8.280 nan 0.000 0.514 104 I N 3.828 124.125 120.570 -0.456 0.000 2.329 104 I HA 0.216 4.386 4.170 -0.000 0.000 0.295 104 I C 0.237 176.215 176.117 -0.231 0.000 1.109 104 I CA 0.240 61.269 61.300 -0.452 0.000 1.297 104 I CB -0.723 36.824 38.000 -0.755 0.000 1.433 104 I HN 0.327 nan 8.210 nan 0.000 0.509 105 R N 7.369 127.778 120.500 -0.150 0.000 2.734 105 R HA 0.654 4.994 4.340 -0.000 0.000 0.271 105 R C -3.227 173.045 176.300 -0.047 0.000 1.021 105 R CA -1.667 54.383 56.100 -0.083 0.000 0.893 105 R CB 2.001 32.244 30.300 -0.096 0.000 1.244 105 R HN 0.035 nan 8.270 nan 0.000 0.464 106 P HA 0.219 nan 4.420 nan 0.000 0.271 106 P C -0.703 176.577 177.300 -0.032 0.000 1.226 106 P CA -0.200 62.892 63.100 -0.013 0.000 0.765 106 P CB 0.789 32.485 31.700 -0.006 0.000 0.835 107 R N 2.061 122.540 120.500 -0.035 0.000 2.507 107 R HA 0.262 4.602 4.340 -0.000 0.000 0.230 107 R C 0.420 176.682 176.300 -0.062 0.000 0.897 107 R CA -0.284 55.783 56.100 -0.056 0.000 1.006 107 R CB 0.246 30.505 30.300 -0.068 0.000 1.341 107 R HN 0.358 nan 8.270 nan 0.000 0.604 108 L N 2.326 123.519 121.223 -0.051 0.000 2.371 108 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 108 L C 0.282 177.130 176.870 -0.038 0.000 1.124 108 L CA -0.125 54.682 54.840 -0.055 0.000 0.816 108 L CB 1.086 43.119 42.059 -0.044 0.000 1.129 108 L HN 0.100 nan 8.230 nan 0.000 0.448 109 Q N 2.773 122.548 119.800 -0.042 0.000 2.296 109 Q HA 0.238 4.578 4.340 -0.000 0.000 0.263 109 Q C -1.005 174.983 176.000 -0.020 0.000 1.026 109 Q CA -0.229 55.555 55.803 -0.032 0.000 0.912 109 Q CB 1.453 30.169 28.738 -0.037 0.000 1.198 109 Q HN 0.471 nan 8.270 nan 0.000 0.407 110 V N 6.261 126.165 119.914 -0.015 0.000 2.630 110 V HA 0.439 4.559 4.120 -0.000 0.000 0.305 110 V C -1.636 174.452 176.094 -0.011 0.000 1.046 110 V CA -1.453 60.842 62.300 -0.010 0.000 0.934 110 V CB 1.740 33.560 31.823 -0.006 0.000 1.003 110 V HN 0.941 nan 8.190 nan 0.000 0.451 111 P HA 0.054 nan 4.420 nan 0.000 0.261 111 P C 1.215 178.511 177.300 -0.007 0.000 1.268 111 P CA 0.057 63.153 63.100 -0.007 0.000 0.833 111 P CB 0.355 32.050 31.700 -0.008 0.000 1.231 112 M N 1.324 120.918 119.600 -0.010 0.000 2.103 112 M HA -0.197 4.283 4.480 -0.000 0.000 0.255 112 M C 1.998 178.294 176.300 -0.006 0.000 1.074 112 M CA 1.970 57.264 55.300 -0.010 0.000 1.090 112 M CB -1.211 31.380 32.600 -0.015 0.000 1.325 112 M HN -0.174 nan 8.290 nan 0.000 0.403 113 S N 0.786 116.483 115.700 -0.004 0.000 2.359 113 S HA -0.212 4.258 4.470 -0.000 0.000 0.222 113 S C 1.561 176.173 174.600 0.020 0.000 1.038 113 S CA 1.772 59.976 58.200 0.007 0.000 1.051 113 S CB -0.955 62.252 63.200 0.012 0.000 0.944 113 S HN 0.642 nan 8.310 nan 0.000 0.433 114 D N 1.154 121.564 120.400 0.017 0.000 2.117 114 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 114 D C 2.279 178.577 176.300 -0.003 0.000 0.987 114 D CA 1.796 55.802 54.000 0.010 0.000 0.829 114 D CB -0.880 39.920 40.800 -0.001 0.000 0.961 114 D HN 0.613 nan 8.370 nan 0.000 0.460 115 T N 0.013 114.563 114.554 -0.006 0.000 2.720 115 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 115 T C 2.347 177.040 174.700 -0.013 0.000 1.037 115 T CA 1.051 63.144 62.100 -0.012 0.000 1.144 115 T CB -0.859 68.003 68.868 -0.010 0.000 0.864 115 T HN 0.003 nan 8.240 nan 0.000 0.444 116 V N 1.821 121.731 119.914 -0.006 0.000 2.343 116 V HA -0.136 3.983 4.120 -0.000 0.000 0.247 116 V C 3.010 179.101 176.094 -0.006 0.000 1.051 116 V CA 2.087 64.384 62.300 -0.005 0.000 1.036 116 V CB -0.824 31.000 31.823 0.002 0.000 0.654 116 V HN 0.502 nan 8.190 nan 0.000 0.451 117 R N -0.214 120.288 120.500 0.003 0.000 2.073 117 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 117 R C 2.402 178.677 176.300 -0.042 0.000 1.134 117 R CA 2.025 58.124 56.100 -0.001 0.000 0.952 117 R CB -0.240 30.071 30.300 0.018 0.000 0.850 117 R HN 0.602 nan 8.270 nan 0.000 0.433 118 Q N 0.368 120.140 119.800 -0.047 0.000 2.061 118 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 118 Q C 2.325 178.271 176.000 -0.091 0.000 0.984 118 Q CA 1.595 57.353 55.803 -0.074 0.000 0.846 118 Q CB -0.176 28.531 28.738 -0.051 0.000 0.902 118 Q HN 0.398 nan 8.270 nan 0.000 0.421 119 L N 0.926 122.114 121.223 -0.058 0.000 2.189 119 L HA -0.251 4.090 4.340 -0.000 0.000 0.214 119 L C 2.083 178.913 176.870 -0.066 0.000 1.097 119 L CA 0.949 55.757 54.840 -0.053 0.000 0.764 119 L CB -0.300 41.741 42.059 -0.030 0.000 0.900 119 L HN 0.337 nan 8.230 nan 0.000 0.436 120 N N 0.182 118.842 118.700 -0.068 0.000 2.092 120 N HA -0.171 4.569 4.740 -0.000 0.000 0.189 120 N C 1.498 176.939 175.510 -0.116 0.000 1.040 120 N CA 1.297 54.309 53.050 -0.064 0.000 0.845 120 N CB -0.058 38.408 38.487 -0.035 0.000 1.017 120 N HN 0.150 nan 8.380 nan 0.000 0.426 121 N N 0.149 118.737 118.700 -0.187 0.000 2.314 121 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 121 N C 0.935 176.190 175.510 -0.425 0.000 1.007 121 N CA 0.751 53.597 53.050 -0.340 0.000 0.883 121 N CB -0.266 37.903 38.487 -0.529 0.000 0.969 121 N HN 0.299 nan 8.380 nan 0.000 0.441 122 L N 0.441 121.492 121.223 -0.287 0.000 2.567 122 L HA 0.108 4.448 4.340 -0.000 0.000 0.225 122 L C 0.818 177.656 176.870 -0.053 0.000 1.119 122 L CA 0.109 54.852 54.840 -0.161 0.000 0.871 122 L CB -0.219 41.777 42.059 -0.104 0.000 1.036 122 L HN 0.036 nan 8.230 nan 0.000 0.459 123 S N -1.766 113.903 115.700 -0.051 0.000 2.603 123 S HA 0.216 4.686 4.470 -0.000 0.000 0.268 123 S C 1.450 176.054 174.600 0.006 0.000 1.317 123 S CA -0.597 57.595 58.200 -0.014 0.000 1.012 123 S CB 0.810 64.003 63.200 -0.012 0.000 0.926 123 S HN 0.152 nan 8.310 nan 0.000 0.539 124 L N 0.495 121.726 121.223 0.014 0.000 1.943 124 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 124 L C 1.173 178.058 176.870 0.026 0.000 1.074 124 L CA 1.477 56.329 54.840 0.021 0.000 0.759 124 L CB -0.457 41.612 42.059 0.017 0.000 0.888 124 L HN 0.727 nan 8.230 nan 0.000 0.433 125 Q N 0.109 119.923 119.800 0.024 0.000 2.506 125 Q HA 0.312 4.652 4.340 -0.000 0.000 0.242 125 Q C -2.172 173.848 176.000 0.033 0.000 1.060 125 Q CA -1.715 54.105 55.803 0.029 0.000 0.826 125 Q CB 1.130 29.884 28.738 0.027 0.000 1.169 125 Q HN 0.182 nan 8.270 nan 0.000 0.521 126 P HA 0.030 nan 4.420 nan 0.000 0.277 126 P C -0.392 176.941 177.300 0.055 0.000 1.276 126 P CA -0.592 62.534 63.100 0.044 0.000 0.788 126 P CB 0.648 32.377 31.700 0.049 0.000 1.114 127 S N -0.846 114.894 115.700 0.066 0.000 2.528 127 S HA 0.384 4.854 4.470 -0.000 0.000 0.277 127 S C 1.194 175.847 174.600 0.090 0.000 1.297 127 S CA -0.047 58.199 58.200 0.076 0.000 1.052 127 S CB 0.065 63.318 63.200 0.089 0.000 0.917 127 S HN 0.445 nan 8.310 nan 0.000 0.492 128 A N 5.251 128.122 122.820 0.085 0.000 1.968 128 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 128 A C 0.831 178.485 177.584 0.116 0.000 1.169 128 A CA 0.988 53.081 52.037 0.093 0.000 0.638 128 A CB -0.018 19.028 19.000 0.077 0.000 0.812 128 A HN 0.658 nan 8.150 nan 0.000 0.446 129 K N 1.293 121.765 120.400 0.119 0.000 2.478 129 K HA 0.308 4.628 4.320 -0.000 0.000 0.236 129 K C -2.942 173.770 176.600 0.187 0.000 1.021 129 K CA -1.891 54.486 56.287 0.150 0.000 1.010 129 K CB 1.302 33.867 32.500 0.107 0.000 1.331 129 K HN 0.319 nan 8.250 nan 0.000 0.470 130 P HA 0.122 nan 4.420 nan 0.000 0.275 130 P C -0.084 177.394 177.300 0.297 0.000 1.228 130 P CA -0.269 62.963 63.100 0.220 0.000 0.786 130 P CB 1.314 33.130 31.700 0.193 0.000 0.927 131 K N 1.063 121.613 120.400 0.251 0.000 2.181 131 K HA 0.086 4.406 4.320 -0.000 0.000 0.239 131 K C 1.520 178.222 176.600 0.170 0.000 1.073 131 K CA -0.366 56.084 56.287 0.271 0.000 0.839 131 K CB 0.018 32.652 32.500 0.223 0.000 1.116 131 K HN 0.393 nan 8.250 nan 0.000 0.518 132 L N -0.098 121.154 121.223 0.049 0.000 2.162 132 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 132 L C 2.351 179.292 176.870 0.119 0.000 1.086 132 L CA 0.591 55.396 54.840 -0.059 0.000 0.778 132 L CB -0.296 41.648 42.059 -0.192 0.000 0.928 132 L HN 0.583 nan 8.230 nan 0.000 0.446 133 Y N 1.597 121.917 120.300 0.033 0.000 1.997 133 Y HA -0.443 4.107 4.550 -0.000 0.000 0.265 133 Y C 2.610 178.497 175.900 -0.022 0.000 1.193 133 Y CA 2.376 60.494 58.100 0.030 0.000 1.106 133 Y CB -0.467 38.012 38.460 0.032 0.000 0.940 133 Y HN 0.255 nan 8.280 nan 0.000 0.494 134 E N -0.213 119.945 120.200 -0.071 0.000 2.065 134 E HA -0.333 4.017 4.350 -0.000 0.000 0.201 134 E C 2.273 178.661 176.600 -0.355 0.000 1.016 134 E CA 2.117 58.380 56.400 -0.228 0.000 0.818 134 E CB -0.223 29.441 29.700 -0.061 0.000 0.749 134 E HN 0.553 nan 8.360 nan 0.000 0.453 135 R N 0.059 120.405 120.500 -0.255 0.000 2.120 135 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 135 R C 2.647 178.626 176.300 -0.535 0.000 1.123 135 R CA 1.801 57.641 56.100 -0.433 0.000 0.975 135 R CB -0.210 30.050 30.300 -0.067 0.000 0.866 135 R HN 0.354 nan 8.270 nan 0.000 0.446 136 Q N 0.243 119.886 119.800 -0.261 0.000 2.016 136 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 136 Q C 1.776 177.586 176.000 -0.317 0.000 0.978 136 Q CA 1.131 56.837 55.803 -0.162 0.000 0.833 136 Q CB -0.152 28.628 28.738 0.069 0.000 0.895 136 Q HN 0.351 nan 8.270 nan 0.000 0.427 137 N N 0.451 118.891 118.700 -0.434 0.000 2.205 137 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 137 N C 1.611 176.876 175.510 -0.409 0.000 1.015 137 N CA 1.261 54.046 53.050 -0.441 0.000 0.862 137 N CB -0.093 38.062 38.487 -0.554 0.000 0.986 137 N HN 0.236 nan 8.380 nan 0.000 0.429 138 A N 1.255 123.763 122.820 -0.519 0.000 1.854 138 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 138 A C 2.255 179.578 177.584 -0.435 0.000 1.192 138 A CA 0.692 52.395 52.037 -0.557 0.000 0.611 138 A CB -0.501 17.858 19.000 -1.068 0.000 0.832 138 A HN 0.167 nan 8.150 nan 0.000 0.442 139 I N -1.150 119.108 120.570 -0.521 0.000 2.493 139 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 139 I C 2.622 178.660 176.117 -0.132 0.000 1.160 139 I CA 1.427 62.496 61.300 -0.384 0.000 1.445 139 I CB -0.161 37.430 38.000 -0.682 0.000 1.086 139 I HN 0.452 nan 8.210 nan 0.000 0.433 140 M N 0.363 119.840 119.600 -0.206 0.000 2.384 140 M HA -0.018 4.462 4.480 -0.000 0.000 0.258 140 M C 1.601 177.649 176.300 -0.420 0.000 1.130 140 M CA 1.536 56.629 55.300 -0.344 0.000 1.187 140 M CB 0.255 32.603 32.600 -0.419 0.000 1.307 140 M HN -0.118 nan 8.290 nan 0.000 0.468 141 K N 0.177 120.377 120.400 -0.334 0.000 2.417 141 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 141 K C 0.511 176.997 176.600 -0.189 0.000 1.023 141 K CA 0.472 56.598 56.287 -0.268 0.000 1.122 141 K CB 0.185 32.538 32.500 -0.245 0.000 0.850 141 K HN 0.667 nan 8.250 nan 0.000 0.521 142 G N 2.245 110.941 108.800 -0.175 0.000 2.283 142 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.280 142 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.280 142 G C 0.141 174.976 174.900 -0.108 0.000 1.029 142 G CA 0.200 45.231 45.100 -0.115 0.000 0.840 142 G HN 0.191 nan 8.290 nan 0.000 0.505 143 L N -0.711 120.417 121.223 -0.158 0.000 2.479 143 L HA 0.372 4.712 4.340 -0.000 0.000 0.248 143 L C 0.817 177.623 176.870 -0.107 0.000 1.205 143 L CA -0.704 54.056 54.840 -0.134 0.000 0.817 143 L CB 0.252 42.206 42.059 -0.176 0.000 1.162 143 L HN 0.069 nan 8.230 nan 0.000 0.486 144 D N 0.490 120.851 120.400 -0.065 0.000 2.329 144 D HA 0.377 5.017 4.640 -0.000 0.000 0.246 144 D C -0.588 175.686 176.300 -0.044 0.000 1.111 144 D CA -0.096 53.899 54.000 -0.009 0.000 0.941 144 D CB 2.136 42.965 40.800 0.048 0.000 1.169 144 D HN 0.233 nan 8.370 nan 0.000 0.441 145 I N 1.862 122.447 120.570 0.025 0.000 2.493 145 I HA 0.265 4.435 4.170 -0.000 0.000 0.298 145 I C -2.228 173.924 176.117 0.058 0.000 0.998 145 I CA -2.543 58.770 61.300 0.022 0.000 1.137 145 I CB 2.260 40.317 38.000 0.095 0.000 1.310 145 I HN 0.086 nan 8.210 nan 0.000 0.445 146 P HA -0.130 nan 4.420 nan 0.000 0.263 146 P C -0.317 177.062 177.300 0.131 0.000 1.175 146 P CA 0.351 63.434 63.100 -0.029 0.000 0.761 146 P CB 0.250 31.944 31.700 -0.009 0.000 0.794 147 Y N 0.596 120.911 120.300 0.025 0.000 2.274 147 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 147 Y C 2.435 178.348 175.900 0.022 0.000 1.145 147 Y CA 0.950 59.063 58.100 0.022 0.000 1.203 147 Y CB -1.194 37.273 38.460 0.012 0.000 0.984 147 Y HN 0.291 nan 8.280 nan 0.000 0.533 148 S N -0.460 115.342 115.700 0.170 0.000 2.597 148 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 148 S C 0.520 175.174 174.600 0.090 0.000 0.955 148 S CA -0.339 57.924 58.200 0.105 0.000 0.933 148 S CB -0.286 62.959 63.200 0.076 0.000 0.788 148 S HN 0.382 nan 8.310 nan 0.000 0.488 149 E N 3.271 123.533 120.200 0.105 0.000 2.289 149 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 149 E C -2.499 174.167 176.600 0.111 0.000 1.032 149 E CA -2.005 54.458 56.400 0.105 0.000 0.854 149 E CB 0.813 30.584 29.700 0.118 0.000 1.046 149 E HN 0.110 nan 8.360 nan 0.000 0.409 150 P HA 0.312 nan 4.420 nan 0.000 0.282 150 P C -0.975 176.400 177.300 0.124 0.000 1.259 150 P CA -0.512 62.658 63.100 0.117 0.000 0.826 150 P CB 1.058 32.823 31.700 0.108 0.000 1.064 151 I N -3.138 117.509 120.570 0.129 0.000 3.006 151 I HA 0.476 4.646 4.170 -0.000 0.000 0.306 151 I C -0.785 175.377 176.117 0.074 0.000 1.250 151 I CA -1.312 60.045 61.300 0.096 0.000 0.996 151 I CB 1.577 39.602 38.000 0.042 0.000 1.261 151 I HN 0.155 nan 8.210 nan 0.000 0.442 152 E N 4.978 125.204 120.200 0.042 0.000 2.052 152 E HA 0.238 4.588 4.350 -0.000 0.000 0.283 152 E C -1.769 174.823 176.600 -0.013 0.000 1.071 152 E CA -1.550 54.844 56.400 -0.010 0.000 0.851 152 E CB 0.650 30.364 29.700 0.024 0.000 1.066 152 E HN 0.500 nan 8.360 nan 0.000 0.396 153 P HA -0.319 nan 4.420 nan 0.000 0.218 153 P C 1.392 178.805 177.300 0.189 0.000 1.150 153 P CA 1.373 64.513 63.100 0.068 0.000 0.841 153 P CB -0.141 31.490 31.700 -0.115 0.000 0.784 154 C N -0.569 118.785 119.300 0.091 0.000 2.411 154 C HA -0.038 4.422 4.460 -0.000 0.000 0.279 154 C C 2.527 177.588 174.990 0.119 0.000 1.288 154 C CA 0.511 59.590 59.018 0.102 0.000 1.764 154 C CB -1.902 25.918 27.740 0.134 0.000 1.974 154 C HN 0.165 nan 8.230 nan 0.000 0.498 155 K N 0.721 121.195 120.400 0.124 0.000 2.057 155 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 155 K C 2.048 178.785 176.600 0.228 0.000 1.050 155 K CA 0.890 57.275 56.287 0.162 0.000 0.935 155 K CB -0.405 32.195 32.500 0.167 0.000 0.715 155 K HN 0.310 nan 8.250 nan 0.000 0.439 156 L N 1.008 122.326 121.223 0.159 0.000 2.349 156 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 156 L C 0.706 177.786 176.870 0.349 0.000 1.130 156 L CA 1.022 56.002 54.840 0.235 0.000 0.791 156 L CB -0.969 41.249 42.059 0.264 0.000 0.918 156 L HN 0.065 nan 8.230 nan 0.000 0.444 157 F N 0.676 120.563 119.950 -0.104 0.000 2.518 157 F HA 0.263 4.790 4.527 -0.000 0.000 0.359 157 F C 0.715 176.296 175.800 -0.366 0.000 1.118 157 F CA 0.030 57.598 58.000 -0.719 0.000 1.287 157 F CB 0.345 38.779 39.000 -0.943 0.000 1.132 157 F HN -0.093 nan 8.300 nan 0.000 0.587 158 R N 1.875 121.435 120.500 -1.566 0.000 2.817 158 R HA 0.440 4.780 4.340 -0.000 0.000 0.268 158 R C -1.088 174.437 176.300 -1.291 0.000 1.027 158 R CA -0.935 54.615 56.100 -0.916 0.000 0.928 158 R CB 1.820 31.937 30.300 -0.306 0.000 1.228 158 R HN 0.597 nan 8.270 nan 0.000 0.469 159 S N 0.046 115.432 115.700 -0.523 0.000 2.565 159 S HA 0.586 5.056 4.470 -0.000 0.000 0.274 159 S C -0.415 174.124 174.600 -0.102 0.000 1.309 159 S CA -0.642 57.411 58.200 -0.244 0.000 1.043 159 S CB 0.981 64.157 63.200 -0.041 0.000 0.939 159 S HN 0.256 nan 8.310 nan 0.000 0.504 160 V N 1.152 121.079 119.914 0.021 0.000 3.158 160 V HA 0.594 4.714 4.120 -0.000 0.000 0.311 160 V C 1.242 177.386 176.094 0.083 0.000 1.181 160 V CA -0.583 61.759 62.300 0.071 0.000 1.054 160 V CB 1.265 33.169 31.823 0.135 0.000 1.085 160 V HN 0.918 nan 8.190 nan 0.000 0.446 161 A N 1.213 124.073 122.820 0.067 0.000 1.870 161 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 161 A C 2.168 179.799 177.584 0.078 0.000 1.224 161 A CA 2.970 55.042 52.037 0.059 0.000 0.650 161 A CB -1.540 17.486 19.000 0.045 0.000 0.836 161 A HN 1.389 nan 8.150 nan 0.000 0.454 162 G N -0.991 107.867 108.800 0.097 0.000 2.511 162 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 162 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 162 G C 0.882 175.864 174.900 0.137 0.000 1.218 162 G CA 0.964 46.132 45.100 0.113 0.000 0.788 162 G HN 0.687 nan 8.290 nan 0.000 0.560 163 Q N -0.031 119.884 119.800 0.192 0.000 2.271 163 Q HA 0.396 4.736 4.340 -0.000 0.000 0.258 163 Q C 0.728 176.853 176.000 0.210 0.000 0.936 163 Q CA 0.068 56.001 55.803 0.216 0.000 0.909 163 Q CB 1.597 30.524 28.738 0.314 0.000 1.253 163 Q HN 0.312 nan 8.270 nan 0.000 0.440 164 T N -1.565 113.085 114.554 0.160 0.000 3.107 164 T HA 0.360 4.710 4.350 -0.000 0.000 0.249 164 T C 0.602 175.413 174.700 0.186 0.000 1.096 164 T CA 0.153 62.334 62.100 0.136 0.000 1.012 164 T CB 0.277 69.195 68.868 0.083 0.000 0.977 164 T HN 0.630 nan 8.240 nan 0.000 0.527 165 G N 0.106 109.053 108.800 0.246 0.000 2.576 165 G HA2 0.437 4.397 3.960 -0.000 0.000 0.290 165 G HA3 0.437 4.397 3.960 -0.000 0.000 0.290 165 G C -0.277 174.602 174.900 -0.035 0.000 1.442 165 G CA -0.450 44.781 45.100 0.219 0.000 0.792 165 G HN 0.051 nan 8.290 nan 0.000 0.491 166 N N -0.850 117.580 118.700 -0.450 0.000 2.517 166 N HA 0.083 4.823 4.740 -0.000 0.000 0.202 166 N C 2.066 177.525 175.510 -0.086 0.000 1.042 166 N CA 0.364 53.019 53.050 -0.658 0.000 0.952 166 N CB 0.059 37.731 38.487 -1.358 0.000 1.211 166 N HN 0.311 nan 8.380 nan 0.000 0.458 167 I N 1.768 122.285 120.570 -0.088 0.000 2.163 167 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 167 I C -0.694 175.431 176.117 0.013 0.000 1.085 167 I CA 1.411 62.681 61.300 -0.051 0.000 1.347 167 I CB -2.213 35.666 38.000 -0.201 0.000 1.044 167 I HN 0.184 nan 8.210 nan 0.000 0.408 168 P HA -0.160 nan 4.420 nan 0.000 0.217 168 P C 1.938 179.253 177.300 0.024 0.000 1.148 168 P CA 1.234 64.334 63.100 0.001 0.000 0.828 168 P CB -0.084 31.618 31.700 0.004 0.000 0.783 169 M N -2.029 117.592 119.600 0.035 0.000 2.358 169 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 169 M C 2.043 178.355 176.300 0.021 0.000 1.064 169 M CA 1.304 56.605 55.300 0.001 0.000 1.093 169 M CB -1.294 31.274 32.600 -0.053 0.000 1.401 169 M HN 0.112 nan 8.290 nan 0.000 0.440 170 M N -0.043 119.665 119.600 0.181 0.000 2.082 170 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 170 M C 1.960 178.313 176.300 0.088 0.000 1.069 170 M CA 2.287 57.751 55.300 0.273 0.000 1.102 170 M CB -0.605 32.126 32.600 0.219 0.000 1.336 170 M HN 0.287 nan 8.290 nan 0.000 0.404 171 G N 0.579 109.400 108.800 0.035 0.000 2.433 171 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 171 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 171 G C 1.407 176.298 174.900 -0.015 0.000 1.186 171 G CA 1.172 46.274 45.100 0.003 0.000 0.779 171 G HN 0.555 nan 8.290 nan 0.000 0.543 172 I N 0.058 120.613 120.570 -0.026 0.000 2.286 172 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 172 I C 2.525 178.591 176.117 -0.086 0.000 1.115 172 I CA 0.445 61.717 61.300 -0.047 0.000 1.392 172 I CB -0.195 37.779 38.000 -0.043 0.000 1.065 172 I HN 0.079 nan 8.210 nan 0.000 0.418 173 L N 0.765 121.911 121.223 -0.129 0.000 2.131 173 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 173 L C 2.509 179.306 176.870 -0.121 0.000 1.092 173 L CA 1.785 56.498 54.840 -0.213 0.000 0.759 173 L CB -0.894 40.974 42.059 -0.318 0.000 0.903 173 L HN 0.184 nan 8.230 nan 0.000 0.435 174 A N -2.220 120.566 122.820 -0.056 0.000 2.208 174 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 174 A C 1.036 178.602 177.584 -0.030 0.000 1.161 174 A CA 0.403 52.423 52.037 -0.029 0.000 0.782 174 A CB -0.608 18.390 19.000 -0.003 0.000 0.816 174 A HN 0.309 nan 8.150 nan 0.000 0.477 175 T N 2.823 117.355 114.554 -0.038 0.000 2.743 175 T HA 0.428 4.778 4.350 -0.000 0.000 0.293 175 T C -2.597 172.083 174.700 -0.033 0.000 0.945 175 T CA -0.961 61.121 62.100 -0.030 0.000 1.030 175 T CB 1.095 69.947 68.868 -0.026 0.000 0.912 175 T HN 0.065 nan 8.240 nan 0.000 0.483 176 P HA 0.093 nan 4.420 nan 0.000 0.266 176 P C -2.287 174.998 177.300 -0.024 0.000 1.186 176 P CA -0.768 62.318 63.100 -0.024 0.000 0.767 176 P CB -0.086 31.605 31.700 -0.016 0.000 0.820 177 P HA 0.234 nan 4.420 nan 0.000 0.287 177 P C -0.337 176.956 177.300 -0.012 0.000 1.270 177 P CA -0.433 62.655 63.100 -0.020 0.000 0.844 177 P CB 1.778 33.464 31.700 -0.024 0.000 1.068 178 A N 2.702 125.517 122.820 -0.008 0.000 1.843 178 A HA 0.412 4.732 4.320 -0.000 0.000 0.213 178 A C 1.129 178.712 177.584 -0.001 0.000 1.202 178 A CA 1.635 53.670 52.037 -0.004 0.000 0.607 178 A CB -0.971 18.028 19.000 -0.002 0.000 0.847 178 A HN 0.752 nan 8.150 nan 0.000 0.445 179 A N -1.640 121.181 122.820 0.000 0.000 2.530 179 A HA 0.587 4.907 4.320 -0.000 0.000 0.288 179 A C -0.342 177.244 177.584 0.002 0.000 1.172 179 A CA -0.426 51.613 52.037 0.003 0.000 0.733 179 A CB 0.347 19.351 19.000 0.007 0.000 1.320 179 A HN 0.364 nan 8.150 nan 0.000 0.419 180 Q N 0.758 120.561 119.800 0.005 0.000 2.275 180 Q HA 0.058 4.398 4.340 -0.000 0.000 0.293 180 Q C -0.113 175.891 176.000 0.006 0.000 1.129 180 Q CA 0.717 56.521 55.803 0.002 0.000 0.971 180 Q CB 0.092 28.837 28.738 0.012 0.000 1.098 180 Q HN 0.646 nan 8.270 nan 0.000 0.386 181 Q N 2.239 122.041 119.800 0.004 0.000 2.171 181 Q HA 0.201 4.541 4.340 -0.000 0.000 0.217 181 Q C -0.480 175.535 176.000 0.025 0.000 0.995 181 Q CA -0.566 55.248 55.803 0.018 0.000 0.979 181 Q CB 1.025 29.776 28.738 0.022 0.000 1.152 181 Q HN 0.622 nan 8.270 nan 0.000 0.525 182 Q N 1.494 121.319 119.800 0.042 0.000 2.368 182 Q HA 0.227 4.567 4.340 -0.000 0.000 0.237 182 Q C -2.042 174.009 176.000 0.084 0.000 0.987 182 Q CA -1.612 54.218 55.803 0.045 0.000 0.896 182 Q CB -0.019 28.751 28.738 0.053 0.000 1.241 182 Q HN 0.394 nan 8.270 nan 0.000 0.485 183 P HA -0.016 nan 4.420 nan 0.000 0.269 183 P C -1.117 176.328 177.300 0.243 0.000 1.217 183 P CA 0.223 63.374 63.100 0.085 0.000 0.783 183 P CB 0.304 31.974 31.700 -0.050 0.000 0.898 184 F N -1.116 118.966 119.950 0.220 0.000 2.576 184 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 184 F C -1.660 174.346 175.800 0.344 0.000 1.078 184 F CA -1.548 56.580 58.000 0.213 0.000 0.921 184 F CB 1.503 40.536 39.000 0.056 0.000 1.232 184 F HN 0.086 nan 8.300 nan 0.000 0.459 185 F N 3.994 124.146 119.950 0.336 0.000 2.716 185 F HA 0.620 5.147 4.527 -0.000 0.000 0.354 185 F C -0.940 175.116 175.800 0.427 0.000 1.168 185 F CA -0.845 57.352 58.000 0.329 0.000 1.045 185 F CB 1.579 40.780 39.000 0.335 0.000 1.311 185 F HN 0.656 nan 8.300 nan 0.000 0.477 186 V N 1.482 121.525 119.914 0.214 0.000 3.019 186 V HA 1.023 5.143 4.120 -0.000 0.000 0.317 186 V C -0.732 175.477 176.094 0.191 0.000 1.094 186 V CA -0.979 61.377 62.300 0.094 0.000 1.000 186 V CB 1.476 33.016 31.823 -0.472 0.000 1.060 186 V HN 0.827 nan 8.190 nan 0.000 0.443 187 A N 1.522 124.500 122.820 0.262 0.000 2.398 187 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 187 A C -0.415 177.249 177.584 0.134 0.000 1.041 187 A CA -0.675 51.504 52.037 0.235 0.000 0.711 187 A CB 1.423 20.649 19.000 0.377 0.000 1.240 187 A HN 0.955 nan 8.150 nan 0.000 0.420 188 E N 0.440 120.558 120.200 -0.137 0.000 3.552 188 E HA 0.370 4.720 4.350 -0.000 0.000 0.264 188 E C 0.745 177.153 176.600 -0.320 0.000 1.170 188 E CA -0.833 55.205 56.400 -0.603 0.000 1.313 188 E CB 0.707 29.948 29.700 -0.765 0.000 1.522 188 E HN 0.624 nan 8.360 nan 0.000 0.653 189 R N 0.254 120.559 120.500 -0.325 0.000 2.080 189 R HA 0.062 4.402 4.340 -0.000 0.000 0.222 189 R C 1.705 177.911 176.300 -0.156 0.000 1.107 189 R CA 0.825 56.848 56.100 -0.128 0.000 0.980 189 R CB 0.167 30.442 30.300 -0.043 0.000 0.879 189 R HN 0.200 nan 8.270 nan 0.000 0.439 190 R N 0.568 120.961 120.500 -0.178 0.000 2.629 190 R HA 0.119 4.459 4.340 -0.000 0.000 0.386 190 R C -0.939 175.269 176.300 -0.154 0.000 1.071 190 R CA -0.104 55.919 56.100 -0.127 0.000 1.104 190 R CB 0.373 30.662 30.300 -0.018 0.000 1.370 190 R HN 0.068 nan 8.270 nan 0.000 0.574 191 R N -1.062 119.258 120.500 -0.299 0.000 2.765 191 R HA 0.307 4.647 4.340 -0.000 0.000 0.277 191 R C -1.640 174.529 176.300 -0.220 0.000 1.028 191 R CA -0.850 55.121 56.100 -0.216 0.000 0.860 191 R CB 0.623 30.911 30.300 -0.019 0.000 1.270 191 R HN -0.061 nan 8.270 nan 0.000 0.484 192 I N 1.952 122.491 120.570 -0.051 0.000 2.493 192 I HA 0.474 4.644 4.170 -0.000 0.000 0.298 192 I C -0.792 175.280 176.117 -0.076 0.000 0.998 192 I CA -1.314 59.984 61.300 -0.004 0.000 1.137 192 I CB 1.938 40.032 38.000 0.158 0.000 1.310 192 I HN 0.399 nan 8.210 nan 0.000 0.445 193 L N 6.627 127.763 121.223 -0.144 0.000 2.386 193 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 193 L C -1.146 175.503 176.870 -0.368 0.000 0.993 193 L CA -0.707 54.009 54.840 -0.207 0.000 0.819 193 L CB 1.829 43.870 42.059 -0.031 0.000 1.294 193 L HN 0.467 nan 8.230 nan 0.000 0.414 194 F N 0.445 120.019 119.950 -0.625 0.000 2.631 194 F HA 1.007 5.534 4.527 -0.000 0.000 0.308 194 F C -0.166 175.116 175.800 -0.864 0.000 1.097 194 F CA -0.586 56.862 58.000 -0.919 0.000 0.952 194 F CB 1.983 40.485 39.000 -0.830 0.000 1.307 194 F HN 0.594 nan 8.300 nan 0.000 0.450 195 G N 1.334 109.514 108.800 -1.034 0.000 2.321 195 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 195 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 195 G C -2.410 172.237 174.900 -0.423 0.000 1.287 195 G CA -0.861 43.907 45.100 -0.553 0.000 0.846 195 G HN 0.863 nan 8.290 nan 0.000 0.508 196 I N 0.864 121.066 120.570 -0.615 0.000 2.499 196 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 196 I C -0.099 175.876 176.117 -0.237 0.000 1.048 196 I CA -0.895 60.197 61.300 -0.347 0.000 1.062 196 I CB 2.196 39.893 38.000 -0.504 0.000 1.238 196 I HN 0.265 nan 8.210 nan 0.000 0.426 197 R N 3.584 124.073 120.500 -0.019 0.000 2.404 197 R HA 0.718 5.058 4.340 -0.000 0.000 0.291 197 R C -0.565 175.704 176.300 -0.053 0.000 1.025 197 R CA -0.548 55.528 56.100 -0.041 0.000 0.991 197 R CB 1.957 32.234 30.300 -0.037 0.000 1.053 197 R HN 0.615 nan 8.270 nan 0.000 0.479 198 S N 0.423 116.094 115.700 -0.048 0.000 2.543 198 S HA 0.094 4.564 4.470 -0.000 0.000 0.274 198 S C 0.274 174.864 174.600 -0.017 0.000 1.149 198 S CA -0.842 57.340 58.200 -0.028 0.000 0.866 198 S CB 1.054 64.238 63.200 -0.027 0.000 1.111 198 S HN 0.811 nan 8.310 nan 0.000 0.457 199 N N 2.180 120.874 118.700 -0.009 0.000 2.446 199 N HA 0.176 4.916 4.740 -0.000 0.000 0.179 199 N C 0.289 175.799 175.510 0.000 0.000 1.054 199 N CA 0.349 53.396 53.050 -0.006 0.000 0.905 199 N CB 0.118 38.602 38.487 -0.004 0.000 0.973 199 N HN 0.583 nan 8.380 nan 0.000 0.448 200 A N 0.165 122.988 122.820 0.004 0.000 2.413 200 A HA 0.771 5.091 4.320 -0.000 0.000 0.307 200 A C -0.295 177.300 177.584 0.018 0.000 1.087 200 A CA -0.502 51.542 52.037 0.011 0.000 0.750 200 A CB 1.254 20.263 19.000 0.015 0.000 1.296 200 A HN 0.340 nan 8.150 nan 0.000 0.423 201 A N 0.870 123.704 122.820 0.023 0.000 2.587 201 A HA 0.411 4.731 4.320 -0.000 0.000 0.233 201 A C -0.058 177.558 177.584 0.053 0.000 1.049 201 A CA 0.549 52.607 52.037 0.034 0.000 0.754 201 A CB -0.507 18.513 19.000 0.032 0.000 0.977 201 A HN 0.705 nan 8.150 nan 0.000 0.509 202 I N 4.883 125.495 120.570 0.071 0.000 2.330 202 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 202 I C -1.753 174.451 176.117 0.146 0.000 1.001 202 I CA -2.131 59.232 61.300 0.105 0.000 1.193 202 I CB 1.641 39.690 38.000 0.082 0.000 1.345 202 I HN 0.564 nan 8.210 nan 0.000 0.461 203 P HA -0.010 nan 4.420 nan 0.000 0.270 203 P C -0.385 177.058 177.300 0.238 0.000 1.221 203 P CA -0.241 62.964 63.100 0.176 0.000 0.788 203 P CB 0.705 32.499 31.700 0.156 0.000 0.904 204 A N 0.362 123.280 122.820 0.164 0.000 2.332 204 A HA 0.653 4.973 4.320 -0.000 0.000 0.258 204 A C 0.723 178.406 177.584 0.166 0.000 1.087 204 A CA 0.609 52.745 52.037 0.165 0.000 0.802 204 A CB -0.435 18.620 19.000 0.092 0.000 1.042 204 A HN 0.936 nan 8.150 nan 0.000 0.489 205 G N -1.411 107.486 108.800 0.162 0.000 2.302 205 G HA2 0.561 4.521 3.960 -0.000 0.000 0.276 205 G HA3 0.561 4.521 3.960 -0.000 0.000 0.276 205 G C -0.362 174.531 174.900 -0.011 0.000 1.316 205 G CA -0.068 45.050 45.100 0.030 0.000 0.988 205 G HN 2.038 nan 8.290 nan 0.000 0.479 206 A N -0.798 121.903 122.820 -0.199 0.000 2.304 206 A HA 0.874 5.194 4.320 -0.000 0.000 0.301 206 A C -1.222 176.070 177.584 -0.486 0.000 1.132 206 A CA -0.269 51.675 52.037 -0.155 0.000 0.819 206 A CB 0.654 19.607 19.000 -0.078 0.000 1.094 206 A HN 1.295 nan 8.150 nan 0.000 0.492 207 Y N 0.306 120.709 120.300 0.172 0.000 2.433 207 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 207 Y C 0.055 176.088 175.900 0.221 0.000 1.026 207 Y CA -0.547 57.657 58.100 0.173 0.000 1.037 207 Y CB 2.014 40.646 38.460 0.286 0.000 1.245 207 Y HN 0.687 nan 8.280 nan 0.000 0.443 208 Q N 3.081 122.975 119.800 0.156 0.000 2.256 208 Q HA 0.557 4.897 4.340 -0.000 0.000 0.257 208 Q C -1.599 174.399 176.000 -0.004 0.000 0.936 208 Q CA -0.766 55.133 55.803 0.160 0.000 0.903 208 Q CB 2.036 30.809 28.738 0.059 0.000 1.263 208 Q HN 0.504 nan 8.270 nan 0.000 0.440 209 F N 0.973 120.937 119.950 0.023 0.000 2.460 209 F HA 0.224 4.751 4.527 -0.000 0.000 0.341 209 F C 0.030 175.765 175.800 -0.109 0.000 1.130 209 F CA -1.267 56.720 58.000 -0.023 0.000 0.962 209 F CB 1.456 40.402 39.000 -0.090 0.000 1.171 209 F HN 0.248 nan 8.300 nan 0.000 0.436 210 V N 2.149 122.073 119.914 0.016 0.000 2.421 210 V HA 0.309 4.429 4.120 -0.000 0.000 0.271 210 V C 0.022 175.970 176.094 -0.244 0.000 1.031 210 V CA -0.864 61.385 62.300 -0.085 0.000 1.032 210 V CB 0.076 31.855 31.823 -0.073 0.000 1.009 210 V HN 0.450 nan 8.190 nan 0.000 0.477 211 V N 8.530 128.244 119.914 -0.334 0.000 2.479 211 V HA 0.198 4.318 4.120 -0.000 0.000 0.281 211 V C -1.220 174.522 176.094 -0.586 0.000 1.031 211 V CA -0.976 60.931 62.300 -0.655 0.000 1.038 211 V CB 0.416 31.962 31.823 -0.462 0.000 0.981 211 V HN 0.891 nan 8.190 nan 0.000 0.478 212 P HA 0.092 nan 4.420 nan 0.000 0.268 212 P C 0.791 177.788 177.300 -0.505 0.000 1.205 212 P CA 0.098 62.899 63.100 -0.499 0.000 0.771 212 P CB 1.088 32.574 31.700 -0.357 0.000 0.858 213 A N 4.992 127.681 122.820 -0.218 0.000 1.954 213 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 213 A C 1.975 179.501 177.584 -0.096 0.000 1.199 213 A CA 2.196 54.163 52.037 -0.117 0.000 0.657 213 A CB -1.804 17.193 19.000 -0.006 0.000 0.823 213 A HN 0.853 nan 8.150 nan 0.000 0.463 214 W N -1.629 119.640 121.300 -0.052 0.000 2.467 214 W HA 0.258 4.918 4.660 -0.000 0.000 0.275 214 W C 1.734 178.286 176.519 0.054 0.000 1.239 214 W CA 1.027 58.367 57.345 -0.008 0.000 1.266 214 W CB -0.912 28.505 29.460 -0.071 0.000 1.112 214 W HN 0.414 nan 8.180 nan 0.000 0.576 215 A N 1.375 123.635 122.820 -0.934 0.000 2.195 215 A HA 0.008 4.328 4.320 -0.000 0.000 0.210 215 A C 2.009 179.399 177.584 -0.324 0.000 1.165 215 A CA 0.969 52.577 52.037 -0.716 0.000 0.806 215 A CB -0.937 17.375 19.000 -1.147 0.000 0.847 215 A HN 0.264 nan 8.150 nan 0.000 0.482 216 S N 0.140 115.659 115.700 -0.302 0.000 2.641 216 S HA -0.003 4.467 4.470 -0.000 0.000 0.239 216 S C 0.957 175.508 174.600 -0.082 0.000 0.972 216 S CA 1.009 59.105 58.200 -0.174 0.000 0.954 216 S CB -0.924 62.182 63.200 -0.157 0.000 0.767 216 S HN 1.076 nan 8.310 nan 0.000 0.539 217 V N -2.357 117.528 119.914 -0.048 0.000 3.159 217 V HA 0.536 4.656 4.120 -0.000 0.000 0.333 217 V C -0.159 175.944 176.094 0.015 0.000 1.424 217 V CA -0.638 61.661 62.300 -0.001 0.000 1.125 217 V CB -0.557 31.290 31.823 0.041 0.000 1.075 217 V HN 0.384 nan 8.190 nan 0.000 0.482 218 L N 1.421 122.650 121.223 0.010 0.000 2.322 218 L HA 0.789 5.129 4.340 -0.000 0.000 0.279 218 L C 0.098 176.935 176.870 -0.054 0.000 1.036 218 L CA -0.202 54.664 54.840 0.043 0.000 0.807 218 L CB 1.879 44.036 42.059 0.165 0.000 1.226 218 L HN 0.320 nan 8.230 nan 0.000 0.433 219 S N 2.057 117.679 115.700 -0.130 0.000 2.541 219 S HA 0.794 5.264 4.470 -0.000 0.000 0.280 219 S C -0.961 173.352 174.600 -0.479 0.000 1.112 219 S CA -0.604 57.442 58.200 -0.257 0.000 0.925 219 S CB 1.790 64.895 63.200 -0.158 0.000 1.067 219 S HN 0.415 nan 8.310 nan 0.000 0.479 220 V N 1.463 120.976 119.914 -0.668 0.000 2.864 220 V HA 0.998 5.118 4.120 -0.000 0.000 0.314 220 V C -0.514 175.280 176.094 -0.500 0.000 1.073 220 V CA -0.640 61.188 62.300 -0.788 0.000 0.956 220 V CB 1.341 32.458 31.823 -1.178 0.000 1.023 220 V HN 1.031 nan 8.190 nan 0.000 0.435 221 T N -1.341 112.998 114.554 -0.359 0.000 2.933 221 T HA 0.694 5.044 4.350 -0.000 0.000 0.305 221 T C 0.604 175.197 174.700 -0.178 0.000 1.092 221 T CA -0.050 61.921 62.100 -0.215 0.000 1.008 221 T CB 1.111 69.897 68.868 -0.138 0.000 1.102 221 T HN 2.460 nan 8.240 nan 0.000 0.469 222 G N 0.771 109.476 108.800 -0.157 0.000 2.305 222 G HA2 0.134 4.094 3.960 -0.000 0.000 0.287 222 G HA3 0.134 4.094 3.960 -0.000 0.000 0.287 222 G C 0.255 175.010 174.900 -0.242 0.000 1.036 222 G CA -0.004 44.986 45.100 -0.184 0.000 0.887 222 G HN 1.476 nan 8.290 nan 0.000 0.505 223 A N -0.431 122.261 122.820 -0.213 0.000 2.306 223 A HA 0.800 5.120 4.320 -0.000 0.000 0.314 223 A C -0.313 177.221 177.584 -0.083 0.000 1.164 223 A CA -0.637 51.319 52.037 -0.134 0.000 0.822 223 A CB 0.908 19.812 19.000 -0.160 0.000 1.130 223 A HN 0.517 nan 8.150 nan 0.000 0.496 224 Y N 0.801 121.187 120.300 0.143 0.000 2.361 224 Y HA 0.502 5.052 4.550 -0.000 0.000 0.332 224 Y C 0.028 176.021 175.900 0.154 0.000 1.101 224 Y CA -0.535 57.682 58.100 0.195 0.000 1.137 224 Y CB 2.143 40.768 38.460 0.275 0.000 1.207 224 Y HN 0.370 nan 8.280 nan 0.000 0.463 225 V N 4.673 124.771 119.914 0.308 0.000 2.443 225 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 225 V C -1.116 174.971 176.094 -0.012 0.000 1.021 225 V CA -0.914 61.400 62.300 0.023 0.000 0.848 225 V CB 0.636 32.518 31.823 0.098 0.000 0.998 225 V HN 0.710 nan 8.190 nan 0.000 0.424 226 Y N 2.195 122.430 120.300 -0.108 0.000 2.715 226 Y HA 0.796 5.346 4.550 -0.000 0.000 0.331 226 Y C -1.287 174.451 175.900 -0.269 0.000 1.197 226 Y CA -2.241 55.759 58.100 -0.166 0.000 1.079 226 Y CB 1.126 39.566 38.460 -0.032 0.000 1.298 226 Y HN 0.339 nan 8.280 nan 0.000 0.477 227 F N 1.045 121.122 119.950 0.212 0.000 2.411 227 F HA 0.594 5.121 4.527 -0.000 0.000 0.350 227 F C 0.638 176.573 175.800 0.225 0.000 1.114 227 F CA -0.015 58.053 58.000 0.113 0.000 1.135 227 F CB 1.742 40.787 39.000 0.076 0.000 1.120 227 F HN 0.711 nan 8.300 nan 0.000 0.495 228 T N 1.815 116.579 114.554 0.351 0.000 2.804 228 T HA 0.317 4.667 4.350 -0.000 0.000 0.290 228 T C -0.031 174.786 174.700 0.195 0.000 1.099 228 T CA -0.682 61.591 62.100 0.288 0.000 1.011 228 T CB 1.221 70.296 68.868 0.345 0.000 1.291 228 T HN 0.750 nan 8.240 nan 0.000 0.523 229 N N 0.183 118.972 118.700 0.149 0.000 2.167 229 N HA 0.126 4.866 4.740 -0.000 0.000 0.234 229 N C -0.470 175.099 175.510 0.100 0.000 1.312 229 N CA -0.434 52.679 53.050 0.105 0.000 0.861 229 N CB 0.849 39.380 38.487 0.074 0.000 1.217 229 N HN 0.324 nan 8.380 nan 0.000 0.504 230 S N 0.508 116.284 115.700 0.126 0.000 2.501 230 S HA 0.613 5.083 4.470 -0.000 0.000 0.301 230 S C -1.574 173.152 174.600 0.211 0.000 1.096 230 S CA -0.552 57.727 58.200 0.133 0.000 1.063 230 S CB 0.907 64.164 63.200 0.095 0.000 1.042 230 S HN 0.247 nan 8.310 nan 0.000 0.494 231 F N 5.830 125.799 119.950 0.032 0.000 2.646 231 F HA 0.545 5.072 4.527 -0.000 0.000 0.364 231 F C -0.478 175.428 175.800 0.177 0.000 1.137 231 F CA -1.536 56.492 58.000 0.046 0.000 1.085 231 F CB -0.423 38.603 39.000 0.044 0.000 1.331 231 F HN 0.838 nan 8.300 nan 0.000 0.472 232 F N 3.668 123.427 119.950 -0.319 0.000 2.795 232 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 232 F C 1.376 177.059 175.800 -0.195 0.000 0.699 232 F CA 1.043 58.815 58.000 -0.380 0.000 1.384 232 F CB -0.978 37.614 39.000 -0.679 0.000 1.672 232 F HN 0.968 nan 8.300 nan 0.000 0.345 233 G N -0.141 108.683 108.800 0.039 0.000 2.157 233 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.239 233 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.239 233 G C -0.003 174.919 174.900 0.037 0.000 0.982 233 G CA 0.133 45.255 45.100 0.037 0.000 0.650 233 G HN 0.525 nan 8.290 nan 0.000 0.527 234 T N 1.642 116.229 114.554 0.054 0.000 2.756 234 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 234 T C 0.540 175.286 174.700 0.076 0.000 0.985 234 T CA -0.478 61.653 62.100 0.052 0.000 0.955 234 T CB 1.407 70.304 68.868 0.049 0.000 0.930 234 T HN 0.258 nan 8.240 nan 0.000 0.451 235 I N 3.668 124.267 120.570 0.048 0.000 2.845 235 I HA 0.011 4.181 4.170 -0.000 0.000 0.296 235 I C 0.473 176.612 176.117 0.037 0.000 1.216 235 I CA 0.205 61.531 61.300 0.043 0.000 1.438 235 I CB -0.006 38.009 38.000 0.024 0.000 1.342 235 I HN 0.536 nan 8.210 nan 0.000 0.577 236 I N 5.658 126.245 120.570 0.029 0.000 2.377 236 I HA 0.541 4.711 4.170 -0.000 0.000 0.293 236 I C 0.293 176.397 176.117 -0.022 0.000 0.987 236 I CA -0.533 60.759 61.300 -0.015 0.000 1.185 236 I CB 1.374 39.352 38.000 -0.037 0.000 1.341 236 I HN 0.677 nan 8.210 nan 0.000 0.455 237 A N 3.783 126.577 122.820 -0.043 0.000 2.281 237 A HA 0.738 5.058 4.320 -0.000 0.000 0.329 237 A C 0.834 178.390 177.584 -0.045 0.000 1.122 237 A CA 0.081 52.098 52.037 -0.033 0.000 0.850 237 A CB 0.911 19.894 19.000 -0.029 0.000 1.207 237 A HN 1.144 nan 8.150 nan 0.000 0.495 238 G N -1.322 107.460 108.800 -0.030 0.000 2.147 238 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.244 238 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.244 238 G C -0.126 174.758 174.900 -0.027 0.000 1.005 238 G CA 0.325 45.406 45.100 -0.031 0.000 0.713 238 G HN 1.604 nan 8.290 nan 0.000 0.515 239 V N 0.733 120.639 119.914 -0.013 0.000 2.668 239 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 239 V C 0.275 176.378 176.094 0.015 0.000 1.071 239 V CA -0.208 62.097 62.300 0.009 0.000 0.894 239 V CB 2.059 33.902 31.823 0.034 0.000 1.008 239 V HN 0.799 nan 8.190 nan 0.000 0.425 240 T N 1.225 115.782 114.554 0.006 0.000 2.733 240 T HA 0.628 4.978 4.350 -0.000 0.000 0.294 240 T C 0.637 175.318 174.700 -0.033 0.000 0.956 240 T CA 0.099 62.189 62.100 -0.016 0.000 0.987 240 T CB 1.663 70.508 68.868 -0.038 0.000 0.920 240 T HN 0.913 nan 8.240 nan 0.000 0.470 241 A N 3.248 126.069 122.820 0.003 0.000 2.370 241 A HA 0.372 4.692 4.320 -0.000 0.000 0.238 241 A C 1.267 178.849 177.584 -0.002 0.000 1.289 241 A CA -0.427 51.630 52.037 0.034 0.000 0.885 241 A CB -0.711 18.342 19.000 0.087 0.000 0.961 241 A HN 0.949 nan 8.150 nan 0.000 0.499 242 T N -2.090 112.436 114.554 -0.047 0.000 2.913 242 T HA 0.725 5.075 4.350 -0.000 0.000 0.287 242 T C -0.146 174.512 174.700 -0.070 0.000 1.008 242 T CA 0.014 62.090 62.100 -0.041 0.000 1.067 242 T CB 1.646 70.493 68.868 -0.034 0.000 0.996 242 T HN 1.241 nan 8.240 nan 0.000 0.513 243 A N 1.401 124.202 122.820 -0.032 0.000 2.586 243 A HA 0.691 5.011 4.320 -0.000 0.000 0.291 243 A C -0.365 177.218 177.584 -0.001 0.000 1.062 243 A CA -1.061 50.962 52.037 -0.025 0.000 0.666 243 A CB 1.058 20.055 19.000 -0.006 0.000 1.281 243 A HN 0.912 nan 8.150 nan 0.000 0.421 244 T N 0.533 115.089 114.554 0.004 0.000 2.942 244 T HA 0.610 4.960 4.350 -0.000 0.000 0.289 244 T C 1.331 176.042 174.700 0.018 0.000 1.044 244 T CA 0.189 62.294 62.100 0.009 0.000 1.023 244 T CB 1.750 70.621 68.868 0.004 0.000 1.123 244 T HN 1.575 nan 8.240 nan 0.000 0.512 245 A N 0.581 123.411 122.820 0.016 0.000 2.121 245 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 245 A C 2.161 179.756 177.584 0.019 0.000 1.154 245 A CA 1.367 53.415 52.037 0.019 0.000 0.679 245 A CB -0.776 18.233 19.000 0.015 0.000 0.795 245 A HN 0.872 nan 8.150 nan 0.000 0.458 246 A N -0.293 122.536 122.820 0.016 0.000 2.081 246 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 246 A C 0.468 178.063 177.584 0.017 0.000 1.158 246 A CA 0.218 52.264 52.037 0.015 0.000 0.724 246 A CB -0.279 18.728 19.000 0.011 0.000 0.826 246 A HN 0.409 nan 8.150 nan 0.000 0.463 247 D N 0.615 121.026 120.400 0.018 0.000 2.515 247 D HA 0.312 4.952 4.640 -0.000 0.000 0.230 247 D C 0.441 176.759 176.300 0.029 0.000 1.181 247 D CA 1.230 55.242 54.000 0.021 0.000 0.875 247 D CB 0.449 41.263 40.800 0.022 0.000 1.213 247 D HN 0.423 nan 8.370 nan 0.000 0.478 248 A N 1.390 124.228 122.820 0.030 0.000 2.401 248 A HA 0.556 4.876 4.320 -0.000 0.000 0.259 248 A C 0.351 177.964 177.584 0.048 0.000 1.103 248 A CA -0.314 51.743 52.037 0.034 0.000 0.789 248 A CB 0.294 19.313 19.000 0.031 0.000 1.035 248 A HN 0.643 nan 8.150 nan 0.000 0.491 249 A N 2.468 125.317 122.820 0.047 0.000 2.555 249 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 249 A C 0.600 178.227 177.584 0.072 0.000 1.060 249 A CA 0.637 52.709 52.037 0.059 0.000 0.759 249 A CB -0.250 18.776 19.000 0.042 0.000 0.995 249 A HN 0.860 nan 8.150 nan 0.000 0.506 250 T N 1.923 116.536 114.554 0.097 0.000 2.786 250 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 250 T C -0.006 174.742 174.700 0.080 0.000 0.992 250 T CA 0.113 62.278 62.100 0.108 0.000 0.954 250 T CB 1.129 70.117 68.868 0.199 0.000 0.934 250 T HN 1.030 nan 8.240 nan 0.000 0.440 251 T N 0.755 115.353 114.554 0.073 0.000 2.906 251 T HA 0.836 5.186 4.350 -0.000 0.000 0.295 251 T C -0.757 174.012 174.700 0.114 0.000 1.061 251 T CA -1.009 61.126 62.100 0.058 0.000 1.000 251 T CB 1.328 70.180 68.868 -0.026 0.000 1.103 251 T HN 0.493 nan 8.240 nan 0.000 0.486 252 F N -0.323 119.566 119.950 -0.101 0.000 2.611 252 F HA 0.901 5.428 4.527 -0.000 0.000 0.324 252 F C -0.349 175.364 175.800 -0.146 0.000 1.061 252 F CA -0.917 57.019 58.000 -0.107 0.000 0.954 252 F CB 1.839 40.760 39.000 -0.131 0.000 1.301 252 F HN 0.882 nan 8.300 nan 0.000 0.482 253 T N -0.217 114.265 114.554 -0.120 0.000 2.906 253 T HA 0.776 5.126 4.350 -0.000 0.000 0.295 253 T C -1.517 173.122 174.700 -0.103 0.000 1.061 253 T CA -0.740 61.220 62.100 -0.233 0.000 1.000 253 T CB 1.554 70.346 68.868 -0.127 0.000 1.103 253 T HN 0.730 nan 8.240 nan 0.000 0.486 254 V N 3.780 123.605 119.914 -0.148 0.000 2.680 254 V HA 0.484 4.604 4.120 -0.000 0.000 0.309 254 V C -1.488 174.576 176.094 -0.049 0.000 1.052 254 V CA -2.216 60.052 62.300 -0.054 0.000 0.908 254 V CB 2.239 34.045 31.823 -0.028 0.000 1.001 254 V HN 0.845 nan 8.190 nan 0.000 0.431 255 P HA -0.056 nan 4.420 nan 0.000 0.236 255 P C 0.930 178.213 177.300 -0.027 0.000 1.172 255 P CA 0.905 63.988 63.100 -0.028 0.000 0.759 255 P CB 0.191 31.878 31.700 -0.022 0.000 0.843 256 T N -2.160 112.381 114.554 -0.022 0.000 3.044 256 T HA 0.042 4.392 4.350 -0.000 0.000 0.255 256 T C 0.669 175.353 174.700 -0.028 0.000 1.073 256 T CA 0.565 62.654 62.100 -0.018 0.000 1.125 256 T CB 0.021 68.891 68.868 0.002 0.000 0.908 256 T HN 0.101 nan 8.240 nan 0.000 0.480 257 D N 0.158 120.530 120.400 -0.046 0.000 2.375 257 D HA 0.563 5.203 4.640 -0.000 0.000 0.247 257 D C 0.426 176.679 176.300 -0.079 0.000 1.061 257 D CA -0.409 53.554 54.000 -0.063 0.000 0.834 257 D CB 2.037 42.788 40.800 -0.082 0.000 1.247 257 D HN 0.077 nan 8.370 nan 0.000 0.489 258 A N 3.914 126.695 122.820 -0.065 0.000 2.119 258 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 258 A C 0.835 178.372 177.584 -0.078 0.000 1.152 258 A CA 0.457 52.456 52.037 -0.063 0.000 0.708 258 A CB -0.020 18.952 19.000 -0.047 0.000 0.805 258 A HN 0.524 nan 8.150 nan 0.000 0.460 259 N N 1.279 119.922 118.700 -0.096 0.000 2.487 259 N HA 0.147 4.887 4.740 -0.000 0.000 0.292 259 N C -1.097 174.311 175.510 -0.171 0.000 1.108 259 N CA -0.444 52.540 53.050 -0.110 0.000 0.956 259 N CB 0.620 39.051 38.487 -0.092 0.000 1.176 259 N HN 0.293 nan 8.380 nan 0.000 0.484 260 N N 1.407 120.008 118.700 -0.166 0.000 2.513 260 N HA 0.112 4.852 4.740 -0.000 0.000 0.268 260 N C -0.438 174.888 175.510 -0.308 0.000 1.180 260 N CA 0.084 52.994 53.050 -0.233 0.000 0.948 260 N CB 1.135 39.532 38.487 -0.150 0.000 1.083 260 N HN 0.266 nan 8.380 nan 0.000 0.455 261 L N 4.391 125.277 121.223 -0.560 0.000 2.264 261 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 261 L C -1.852 174.778 176.870 -0.398 0.000 1.044 261 L CA -1.676 52.795 54.840 -0.616 0.000 0.807 261 L CB 1.333 42.650 42.059 -1.237 0.000 1.192 261 L HN 0.306 nan 8.230 nan 0.000 0.425 262 P HA 0.118 nan 4.420 nan 0.000 0.271 262 P C -0.920 176.428 177.300 0.081 0.000 1.218 262 P CA -0.188 62.905 63.100 -0.013 0.000 0.780 262 P CB 1.599 33.302 31.700 0.005 0.000 0.901 263 V N 3.417 123.376 119.914 0.076 0.000 2.555 263 V HA 0.277 4.397 4.120 -0.000 0.000 0.302 263 V C 0.487 176.604 176.094 0.038 0.000 1.038 263 V CA -0.407 61.907 62.300 0.024 0.000 0.887 263 V CB 0.909 32.647 31.823 -0.142 0.000 0.991 263 V HN 0.670 nan 8.190 nan 0.000 0.434 264 Q N 1.584 121.421 119.800 0.061 0.000 2.479 264 Q HA -0.145 4.195 4.340 -0.000 0.000 0.282 264 Q C -0.081 175.989 176.000 0.117 0.000 1.279 264 Q CA 1.003 56.881 55.803 0.125 0.000 0.815 264 Q CB -1.297 27.543 28.738 0.170 0.000 1.204 264 Q HN 1.171 nan 8.270 nan 0.000 0.444 265 T N -3.497 111.139 114.554 0.136 0.000 2.906 265 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 265 T C 0.189 174.999 174.700 0.183 0.000 1.061 265 T CA -0.734 61.442 62.100 0.127 0.000 1.000 265 T CB 1.531 70.464 68.868 0.109 0.000 1.103 265 T HN -0.006 nan 8.240 nan 0.000 0.486 266 D N 1.276 121.770 120.400 0.157 0.000 2.338 266 D HA 0.081 4.721 4.640 -0.000 0.000 0.239 266 D C 0.058 176.541 176.300 0.305 0.000 1.095 266 D CA 0.298 54.435 54.000 0.229 0.000 0.888 266 D CB 0.188 41.067 40.800 0.131 0.000 0.899 266 D HN 0.433 nan 8.370 nan 0.000 0.525 267 S N 0.657 116.485 115.700 0.213 0.000 2.489 267 S HA 0.270 4.740 4.470 -0.000 0.000 0.277 267 S C 0.483 175.122 174.600 0.065 0.000 1.230 267 S CA -0.613 57.660 58.200 0.122 0.000 1.053 267 S CB 1.519 64.766 63.200 0.078 0.000 0.955 267 S HN 0.078 nan 8.310 nan 0.000 0.488 268 R N 2.610 123.075 120.500 -0.059 0.000 2.316 268 R HA 0.317 4.657 4.340 -0.000 0.000 0.314 268 R C -0.409 175.848 176.300 -0.073 0.000 1.069 268 R CA -0.073 55.906 56.100 -0.201 0.000 0.959 268 R CB 0.105 30.255 30.300 -0.250 0.000 0.987 268 R HN 0.511 nan 8.270 nan 0.000 0.446 269 L N 1.121 122.331 121.223 -0.021 0.000 2.358 269 L HA 0.480 4.820 4.340 -0.000 0.000 0.268 269 L C 0.150 177.035 176.870 0.026 0.000 1.032 269 L CA -0.732 54.159 54.840 0.084 0.000 0.805 269 L CB 1.803 44.032 42.059 0.284 0.000 1.253 269 L HN 0.535 nan 8.230 nan 0.000 0.452 270 S N 1.355 117.106 115.700 0.084 0.000 2.672 270 S HA 0.762 5.232 4.470 -0.000 0.000 0.291 270 S C -1.000 173.673 174.600 0.121 0.000 1.145 270 S CA -0.577 57.603 58.200 -0.034 0.000 1.013 270 S CB 1.333 64.507 63.200 -0.044 0.000 1.017 270 S HN 0.495 nan 8.310 nan 0.000 0.487 271 F N -0.624 119.276 119.950 -0.082 0.000 2.773 271 F HA 0.856 5.383 4.527 -0.000 0.000 0.314 271 F C -0.774 174.982 175.800 -0.073 0.000 1.160 271 F CA -0.972 56.990 58.000 -0.063 0.000 0.920 271 F CB 1.089 40.076 39.000 -0.023 0.000 1.323 271 F HN 0.395 nan 8.300 nan 0.000 0.457 272 S N 0.776 116.610 115.700 0.224 0.000 2.532 272 S HA 0.577 5.047 4.470 -0.000 0.000 0.299 272 S C -0.376 174.311 174.600 0.146 0.000 1.105 272 S CA -0.786 57.462 58.200 0.079 0.000 1.018 272 S CB 1.225 64.428 63.200 0.005 0.000 1.021 272 S HN 0.817 nan 8.310 nan 0.000 0.483 273 L N 4.610 125.887 121.223 0.090 0.000 2.672 273 L HA 0.269 4.609 4.340 -0.000 0.000 0.236 273 L C 2.167 179.029 176.870 -0.013 0.000 1.186 273 L CA 0.154 55.032 54.840 0.064 0.000 0.977 273 L CB -0.765 41.319 42.059 0.042 0.000 1.203 273 L HN 0.904 nan 8.230 nan 0.000 0.448 274 G N 0.483 109.277 108.800 -0.010 0.000 2.402 274 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 274 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 274 G C 1.559 176.437 174.900 -0.037 0.000 1.162 274 G CA 0.640 45.720 45.100 -0.033 0.000 0.777 274 G HN 0.484 nan 8.290 nan 0.000 0.539 275 G N 0.248 109.034 108.800 -0.024 0.000 2.564 275 G HA2 0.233 4.193 3.960 -0.000 0.000 0.216 275 G HA3 0.233 4.193 3.960 -0.000 0.000 0.216 275 G C 1.475 176.349 174.900 -0.043 0.000 1.124 275 G CA 0.764 45.846 45.100 -0.029 0.000 0.764 275 G HN 1.479 nan 8.290 nan 0.000 0.550 276 G N -0.861 107.901 108.800 -0.063 0.000 2.180 276 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 276 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 276 G C 0.119 174.964 174.900 -0.090 0.000 0.989 276 G CA 0.622 45.664 45.100 -0.097 0.000 0.692 276 G HN 0.794 nan 8.290 nan 0.000 0.526 277 N N -0.512 118.153 118.700 -0.058 0.000 2.571 277 N HA 0.504 5.244 4.740 -0.000 0.000 0.286 277 N C -0.402 175.100 175.510 -0.013 0.000 1.138 277 N CA -0.584 52.444 53.050 -0.037 0.000 0.859 277 N CB 0.908 39.382 38.487 -0.021 0.000 1.414 277 N HN 0.183 nan 8.380 nan 0.000 0.529 278 I N 1.822 122.380 120.570 -0.019 0.000 2.365 278 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 278 I C 0.005 176.184 176.117 0.102 0.000 1.004 278 I CA -0.584 60.705 61.300 -0.018 0.000 1.311 278 I CB 1.086 38.917 38.000 -0.281 0.000 1.401 278 I HN 0.461 nan 8.210 nan 0.000 0.491 279 N N 5.748 124.527 118.700 0.132 0.000 2.706 279 N HA 0.337 5.077 4.740 -0.000 0.000 0.240 279 N C -1.045 174.598 175.510 0.221 0.000 1.039 279 N CA -0.512 52.643 53.050 0.176 0.000 0.888 279 N CB 0.718 39.262 38.487 0.094 0.000 1.128 279 N HN 0.387 nan 8.380 nan 0.000 0.512 280 L N 1.465 122.875 121.223 0.311 0.000 2.371 280 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 280 L C -0.144 176.890 176.870 0.274 0.000 1.124 280 L CA 0.306 55.320 54.840 0.290 0.000 0.816 280 L CB 0.736 42.959 42.059 0.273 0.000 1.129 280 L HN 0.423 nan 8.230 nan 0.000 0.448 281 E N 5.025 125.337 120.200 0.187 0.000 2.489 281 E HA 0.164 4.514 4.350 -0.000 0.000 0.232 281 E C -1.177 175.499 176.600 0.127 0.000 0.990 281 E CA -0.864 55.628 56.400 0.152 0.000 0.768 281 E CB 1.253 31.008 29.700 0.092 0.000 1.270 281 E HN 0.420 nan 8.360 nan 0.000 0.423 282 L N 2.200 123.513 121.223 0.149 0.000 2.597 282 L HA 0.065 4.405 4.340 -0.000 0.000 0.271 282 L C 1.474 178.399 176.870 0.091 0.000 1.157 282 L CA 0.844 55.725 54.840 0.068 0.000 0.928 282 L CB 0.638 42.705 42.059 0.013 0.000 1.216 282 L HN 0.611 nan 8.230 nan 0.000 0.481 283 G N 4.097 112.942 108.800 0.075 0.000 2.421 283 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 283 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 283 G C 0.276 175.204 174.900 0.047 0.000 1.143 283 G CA 0.318 45.455 45.100 0.062 0.000 0.784 283 G HN 0.401 nan 8.290 nan 0.000 0.541 284 V N 0.444 120.376 119.914 0.029 0.000 2.638 284 V HA 0.685 4.805 4.120 -0.000 0.000 0.306 284 V C 0.301 176.398 176.094 0.005 0.000 1.052 284 V CA -1.288 61.020 62.300 0.013 0.000 0.885 284 V CB 1.461 33.279 31.823 -0.008 0.000 0.999 284 V HN 0.407 nan 8.190 nan 0.000 0.424 285 A N 4.919 127.756 122.820 0.029 0.000 2.565 285 A HA 0.408 4.728 4.320 -0.000 0.000 0.237 285 A C 0.126 177.715 177.584 0.008 0.000 1.053 285 A CA 0.534 52.596 52.037 0.042 0.000 0.755 285 A CB -0.029 19.003 19.000 0.053 0.000 0.980 285 A HN 0.814 nan 8.150 nan 0.000 0.506 286 K N 1.101 121.515 120.400 0.023 0.000 2.464 286 K HA 0.388 4.708 4.320 -0.000 0.000 0.253 286 K C -0.740 175.887 176.600 0.044 0.000 0.933 286 K CA -0.558 55.729 56.287 0.000 0.000 0.801 286 K CB 2.081 34.543 32.500 -0.062 0.000 1.271 286 K HN 0.576 nan 8.250 nan 0.000 0.430 287 T N 1.391 115.953 114.554 0.015 0.000 4.475 287 T HA 0.310 4.660 4.350 -0.000 0.000 0.254 287 T C 0.395 175.099 174.700 0.007 0.000 1.160 287 T CA -0.256 61.851 62.100 0.013 0.000 1.091 287 T CB -0.561 68.308 68.868 0.001 0.000 1.377 287 T HN 0.887 nan 8.240 nan 0.000 1.057 288 G N 2.261 111.070 108.800 0.014 0.000 3.039 288 G HA2 0.125 4.085 3.960 -0.000 0.000 0.686 288 G HA3 0.125 4.085 3.960 -0.000 0.000 0.686 288 G C -0.768 174.141 174.900 0.015 0.000 1.066 288 G CA -0.895 44.172 45.100 -0.054 0.000 0.774 288 G HN 0.756 nan 8.290 nan 0.000 0.591 289 F N -0.306 119.661 119.950 0.028 0.000 2.613 289 F HA 0.861 5.388 4.527 -0.000 0.000 0.314 289 F C -0.199 175.682 175.800 0.135 0.000 1.075 289 F CA -1.832 56.197 58.000 0.049 0.000 0.945 289 F CB 1.511 40.530 39.000 0.032 0.000 1.310 289 F HN 0.971 nan 8.300 nan 0.000 0.467 290 C N 3.348 122.907 119.300 0.431 0.000 2.505 290 C HA 0.818 5.278 4.460 -0.000 0.000 0.342 290 C C -1.040 173.977 174.990 0.045 0.000 1.121 290 C CA -0.416 58.725 59.018 0.205 0.000 1.306 290 C CB 0.385 28.273 27.740 0.247 0.000 1.897 290 C HN 0.842 nan 8.230 nan 0.000 0.446 291 V N 5.457 125.078 119.914 -0.487 0.000 2.539 291 V HA 0.783 4.903 4.120 -0.000 0.000 0.292 291 V C 0.703 176.327 176.094 -0.784 0.000 1.045 291 V CA -0.017 61.761 62.300 -0.870 0.000 0.945 291 V CB 1.474 32.380 31.823 -1.528 0.000 0.993 291 V HN 1.110 nan 8.190 nan 0.000 0.464 292 A N 5.530 127.942 122.820 -0.680 0.000 2.355 292 A HA 0.873 5.193 4.320 -0.000 0.000 0.317 292 A C -0.782 176.498 177.584 -0.507 0.000 1.094 292 A CA -0.547 51.130 52.037 -0.600 0.000 0.764 292 A CB 0.911 19.433 19.000 -0.796 0.000 1.230 292 A HN 0.765 nan 8.150 nan 0.000 0.448 293 I N 2.088 122.545 120.570 -0.188 0.000 2.437 293 I HA 0.285 4.455 4.170 -0.000 0.000 0.279 293 I C -0.163 176.055 176.117 0.169 0.000 1.028 293 I CA 0.061 61.387 61.300 0.044 0.000 1.142 293 I CB 1.311 39.449 38.000 0.229 0.000 1.266 293 I HN 0.763 nan 8.210 nan 0.000 0.461 294 E N 5.336 125.625 120.200 0.148 0.000 2.129 294 E HA 0.709 5.059 4.350 -0.000 0.000 0.268 294 E C -0.357 176.407 176.600 0.273 0.000 0.900 294 E CA -0.373 56.186 56.400 0.266 0.000 0.755 294 E CB 1.802 31.681 29.700 0.299 0.000 1.117 294 E HN 0.790 nan 8.360 nan 0.000 0.410 295 G N 3.273 112.269 108.800 0.327 0.000 2.450 295 G HA2 0.087 4.047 3.960 -0.000 0.000 0.273 295 G HA3 0.087 4.047 3.960 -0.000 0.000 0.273 295 G C -1.342 173.693 174.900 0.224 0.000 1.221 295 G CA -0.728 44.459 45.100 0.145 0.000 0.900 295 G HN 0.429 nan 8.290 nan 0.000 0.483 296 E N -0.350 119.881 120.200 0.052 0.000 2.200 296 E HA 0.645 4.995 4.350 -0.000 0.000 0.283 296 E C -1.353 175.271 176.600 0.040 0.000 1.015 296 E CA -0.336 56.130 56.400 0.110 0.000 0.819 296 E CB 0.715 30.429 29.700 0.023 0.000 1.081 296 E HN 0.180 nan 8.360 nan 0.000 0.397 297 F N 1.941 121.878 119.950 -0.022 0.000 2.443 297 F HA 0.493 5.020 4.527 -0.000 0.000 0.335 297 F C 0.608 176.404 175.800 -0.006 0.000 1.104 297 F CA -0.506 57.479 58.000 -0.025 0.000 1.013 297 F CB 2.070 41.070 39.000 -0.001 0.000 1.136 297 F HN 0.279 nan 8.300 nan 0.000 0.470 298 T N 3.494 118.101 114.554 0.088 0.000 2.896 298 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 298 T C -0.888 173.847 174.700 0.059 0.000 1.108 298 T CA -0.654 61.489 62.100 0.073 0.000 1.004 298 T CB 0.973 69.861 68.868 0.033 0.000 1.159 298 T HN 0.387 nan 8.240 nan 0.000 0.499 299 I N 3.774 124.386 120.570 0.071 0.000 2.315 299 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 299 I C 0.556 176.694 176.117 0.034 0.000 1.006 299 I CA -0.884 60.452 61.300 0.060 0.000 1.265 299 I CB 1.145 39.196 38.000 0.085 0.000 1.387 299 I HN 0.571 nan 8.210 nan 0.000 0.475 300 L N 5.471 126.690 121.223 -0.008 0.000 2.605 300 L HA -0.056 4.284 4.340 -0.000 0.000 0.296 300 L C 1.090 177.903 176.870 -0.095 0.000 1.255 300 L CA -0.076 54.725 54.840 -0.065 0.000 0.879 300 L CB 0.178 42.200 42.059 -0.061 0.000 1.124 300 L HN 0.737 nan 8.230 nan 0.000 0.507 301 A N 3.992 126.649 122.820 -0.273 0.000 2.586 301 A HA -0.031 4.289 4.320 -0.000 0.000 0.231 301 A C 0.979 178.477 177.584 -0.143 0.000 1.055 301 A CA 0.058 51.828 52.037 -0.446 0.000 0.756 301 A CB -0.171 18.193 19.000 -1.060 0.000 0.988 301 A HN 0.990 nan 8.150 nan 0.000 0.509 302 N N 0.324 119.033 118.700 0.015 0.000 2.710 302 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 302 N C 0.350 175.883 175.510 0.037 0.000 1.059 302 N CA 1.338 54.418 53.050 0.050 0.000 0.720 302 N CB -0.492 38.008 38.487 0.023 0.000 0.983 302 N HN 0.748 nan 8.380 nan 0.000 0.544 303 R N -1.148 119.384 120.500 0.054 0.000 2.544 303 R HA 0.138 4.478 4.340 -0.000 0.000 0.303 303 R C 1.431 177.800 176.300 0.115 0.000 0.939 303 R CA 0.652 56.789 56.100 0.062 0.000 1.102 303 R CB 0.033 30.352 30.300 0.032 0.000 1.440 303 R HN 0.335 nan 8.270 nan 0.000 0.532 304 S N 0.436 116.228 115.700 0.154 0.000 2.547 304 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 304 S C 1.515 176.287 174.600 0.287 0.000 0.980 304 S CA 0.712 59.065 58.200 0.254 0.000 0.941 304 S CB 0.083 63.458 63.200 0.292 0.000 0.763 304 S HN 0.082 nan 8.310 nan 0.000 0.532 305 Q N 1.681 121.586 119.800 0.174 0.000 2.172 305 Q HA 0.283 4.623 4.340 -0.000 0.000 0.200 305 Q C 2.382 178.470 176.000 0.145 0.000 0.964 305 Q CA 1.332 57.217 55.803 0.136 0.000 0.855 305 Q CB -0.876 27.907 28.738 0.075 0.000 0.918 305 Q HN 0.703 nan 8.270 nan 0.000 0.444 306 A N -0.221 122.691 122.820 0.153 0.000 1.851 306 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 306 A C 1.946 179.650 177.584 0.200 0.000 1.195 306 A CA 1.652 53.779 52.037 0.150 0.000 0.622 306 A CB -1.133 17.951 19.000 0.140 0.000 0.831 306 A HN 0.469 nan 8.150 nan 0.000 0.444 307 Y N -0.662 119.693 120.300 0.092 0.000 2.036 307 Y HA -0.285 4.265 4.550 -0.000 0.000 0.273 307 Y C 2.205 178.149 175.900 0.073 0.000 1.135 307 Y CA 2.051 60.188 58.100 0.062 0.000 1.106 307 Y CB -0.939 37.496 38.460 -0.042 0.000 0.976 307 Y HN 0.382 nan 8.280 nan 0.000 0.483 308 Y N -0.592 119.681 120.300 -0.046 0.000 2.639 308 Y HA -0.096 4.454 4.550 -0.000 0.000 0.297 308 Y C 1.910 177.621 175.900 -0.316 0.000 1.151 308 Y CA 1.365 59.183 58.100 -0.470 0.000 1.335 308 Y CB -0.218 37.979 38.460 -0.438 0.000 0.994 308 Y HN 0.107 nan 8.280 nan 0.000 0.548 309 T N -0.348 114.225 114.554 0.032 0.000 3.044 309 T HA 0.190 4.540 4.350 -0.000 0.000 0.260 309 T C 0.630 175.367 174.700 0.061 0.000 1.019 309 T CA -0.177 61.946 62.100 0.038 0.000 0.921 309 T CB -0.078 68.820 68.868 0.050 0.000 1.053 309 T HN 0.223 nan 8.240 nan 0.000 0.533 310 L N 1.400 122.672 121.223 0.082 0.000 3.717 310 L HA -0.239 4.101 4.340 -0.000 0.000 0.414 310 L C 1.151 178.058 176.870 0.063 0.000 1.228 310 L CA -0.027 54.864 54.840 0.084 0.000 0.918 310 L CB -1.680 40.432 42.059 0.088 0.000 1.865 310 L HN 0.227 nan 8.230 nan 0.000 0.922 311 N N -0.169 118.573 118.700 0.070 0.000 2.373 311 N HA 0.001 4.741 4.740 -0.000 0.000 0.181 311 N C 1.591 177.138 175.510 0.060 0.000 1.082 311 N CA 0.819 53.904 53.050 0.058 0.000 0.885 311 N CB 0.286 38.808 38.487 0.058 0.000 0.977 311 N HN 0.525 nan 8.380 nan 0.000 0.462 312 S N -0.681 115.069 115.700 0.082 0.000 2.607 312 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 312 S C 0.616 175.251 174.600 0.059 0.000 0.969 312 S CA -0.105 58.150 58.200 0.091 0.000 0.927 312 S CB -0.375 62.918 63.200 0.155 0.000 0.772 312 S HN 0.172 nan 8.310 nan 0.000 0.533 313 I N 3.190 123.782 120.570 0.036 0.000 2.337 313 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 313 I C 1.248 177.369 176.117 0.008 0.000 1.046 313 I CA -0.280 61.025 61.300 0.008 0.000 1.324 313 I CB 1.308 39.310 38.000 0.004 0.000 1.409 313 I HN 0.292 nan 8.210 nan 0.000 0.494 314 T N 1.539 116.093 114.554 0.001 0.000 2.964 314 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 314 T C 0.744 175.445 174.700 0.002 0.000 1.000 314 T CA -0.241 61.862 62.100 0.005 0.000 0.992 314 T CB 0.417 69.292 68.868 0.011 0.000 1.087 314 T HN 0.385 nan 8.240 nan 0.000 0.489 315 Q N 1.309 121.107 119.800 -0.004 0.000 2.252 315 Q HA 0.673 5.013 4.340 -0.000 0.000 0.256 315 Q C -1.010 174.985 176.000 -0.007 0.000 1.020 315 Q CA -0.326 55.476 55.803 -0.002 0.000 0.913 315 Q CB 1.615 30.355 28.738 0.003 0.000 1.286 315 Q HN 0.212 nan 8.270 nan 0.000 0.480 316 T N 2.059 116.610 114.554 -0.005 0.000 3.109 316 T HA 0.410 4.760 4.350 -0.000 0.000 0.311 316 T C -2.244 172.452 174.700 -0.008 0.000 1.011 316 T CA -0.851 61.243 62.100 -0.010 0.000 1.026 316 T CB 1.615 70.475 68.868 -0.013 0.000 1.047 316 T HN 0.469 nan 8.240 nan 0.000 0.448 317 P HA 0.603 nan 4.420 nan 0.000 0.279 317 P C -0.738 176.557 177.300 -0.009 0.000 1.282 317 P CA -0.292 62.800 63.100 -0.014 0.000 0.788 317 P CB 0.995 32.685 31.700 -0.016 0.000 1.139 318 T N -1.276 113.270 114.554 -0.014 0.000 2.900 318 T HA 0.378 4.728 4.350 -0.000 0.000 0.303 318 T C -0.669 174.026 174.700 -0.009 0.000 1.142 318 T CA -0.468 61.622 62.100 -0.016 0.000 1.007 318 T CB 0.749 69.595 68.868 -0.036 0.000 1.156 318 T HN 0.346 nan 8.240 nan 0.000 0.490 319 S N 2.923 118.629 115.700 0.011 0.000 2.548 319 S HA 0.653 5.123 4.470 -0.000 0.000 0.277 319 S C -0.351 174.252 174.600 0.005 0.000 1.315 319 S CA -0.605 57.623 58.200 0.047 0.000 1.050 319 S CB 0.239 63.543 63.200 0.174 0.000 0.918 319 S HN 0.667 nan 8.310 nan 0.000 0.497 320 I N 2.591 123.162 120.570 0.001 0.000 2.722 320 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 320 I C -0.735 175.359 176.117 -0.038 0.000 1.267 320 I CA -0.735 60.540 61.300 -0.041 0.000 1.036 320 I CB 1.704 39.666 38.000 -0.064 0.000 1.281 320 I HN 0.750 nan 8.210 nan 0.000 0.423 321 D N 5.223 125.573 120.400 -0.083 0.000 2.376 321 D HA 0.075 4.715 4.640 -0.000 0.000 0.281 321 D C -0.327 175.911 176.300 -0.104 0.000 1.215 321 D CA 0.124 54.093 54.000 -0.051 0.000 1.062 321 D CB 0.600 41.402 40.800 0.004 0.000 1.124 321 D HN 0.643 nan 8.370 nan 0.000 0.550 322 D N -2.382 117.996 120.400 -0.036 0.000 2.582 322 D HA 0.050 4.690 4.640 -0.000 0.000 0.246 322 D C 0.219 176.675 176.300 0.260 0.000 1.334 322 D CA -0.664 53.406 54.000 0.116 0.000 0.805 322 D CB -1.086 39.865 40.800 0.253 0.000 1.087 322 D HN 0.511 nan 8.370 nan 0.000 0.499 323 F N 1.473 121.607 119.950 0.306 0.000 3.048 323 F HA -0.321 4.206 4.527 -0.000 0.000 0.287 323 F C 0.040 176.123 175.800 0.471 0.000 0.796 323 F CA 0.899 59.105 58.000 0.342 0.000 1.111 323 F CB -1.705 37.440 39.000 0.241 0.000 1.320 323 F HN 0.050 nan 8.300 nan 0.000 0.430 324 D N -2.402 118.293 120.400 0.492 0.000 3.070 324 D HA -0.195 4.445 4.640 -0.000 0.000 0.210 324 D C 1.239 177.808 176.300 0.448 0.000 1.103 324 D CA 0.965 55.231 54.000 0.444 0.000 0.980 324 D CB -1.642 39.465 40.800 0.512 0.000 1.100 324 D HN 0.426 nan 8.370 nan 0.000 0.423 325 V N -0.417 119.667 119.914 0.283 0.000 2.332 325 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 325 V C 2.690 178.889 176.094 0.175 0.000 1.055 325 V CA 2.575 64.907 62.300 0.054 0.000 1.038 325 V CB -1.309 30.262 31.823 -0.421 0.000 0.651 325 V HN 0.385 nan 8.190 nan 0.000 0.450 326 S N 1.236 117.023 115.700 0.145 0.000 2.389 326 S HA -0.377 4.093 4.470 -0.000 0.000 0.231 326 S C 1.558 176.234 174.600 0.127 0.000 1.052 326 S CA 2.152 60.430 58.200 0.130 0.000 1.053 326 S CB -1.114 62.165 63.200 0.132 0.000 0.886 326 S HN 0.636 nan 8.310 nan 0.000 0.456 327 D N 0.547 121.050 120.400 0.172 0.000 2.310 327 D HA 0.080 4.720 4.640 -0.000 0.000 0.212 327 D C 1.108 177.365 176.300 -0.072 0.000 0.965 327 D CA 0.737 54.763 54.000 0.043 0.000 0.879 327 D CB -0.312 40.491 40.800 0.004 0.000 0.921 327 D HN 0.554 nan 8.370 nan 0.000 0.510 328 F N -0.458 119.518 119.950 0.042 0.000 2.678 328 F HA 0.241 4.768 4.527 -0.000 0.000 0.291 328 F C 2.027 177.849 175.800 0.037 0.000 1.123 328 F CA -0.059 57.965 58.000 0.041 0.000 1.395 328 F CB -0.136 38.892 39.000 0.047 0.000 1.121 328 F HN -0.130 nan 8.300 nan 0.000 0.592 329 L N -0.564 120.782 121.223 0.205 0.000 2.141 329 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 329 L C 2.280 179.207 176.870 0.094 0.000 1.094 329 L CA 1.149 56.087 54.840 0.163 0.000 0.763 329 L CB -1.120 40.986 42.059 0.080 0.000 0.908 329 L HN 0.114 nan 8.230 nan 0.000 0.437 330 T N -0.233 114.325 114.554 0.007 0.000 2.522 330 T HA -0.361 3.989 4.350 -0.000 0.000 0.253 330 T C 1.892 176.574 174.700 -0.030 0.000 1.218 330 T CA 2.853 64.920 62.100 -0.055 0.000 1.155 330 T CB -0.857 67.975 68.868 -0.060 0.000 0.855 330 T HN 0.629 nan 8.240 nan 0.000 0.435 331 T N 0.845 115.406 114.554 0.011 0.000 2.653 331 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 331 T C 1.690 176.428 174.700 0.064 0.000 1.035 331 T CA 1.769 63.880 62.100 0.018 0.000 1.154 331 T CB -0.999 67.879 68.868 0.017 0.000 0.862 331 T HN 0.316 nan 8.240 nan 0.000 0.441 332 F N 2.236 122.170 119.950 -0.026 0.000 2.102 332 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 332 F C 2.126 177.915 175.800 -0.018 0.000 1.105 332 F CA 0.678 58.676 58.000 -0.004 0.000 1.239 332 F CB -0.650 38.386 39.000 0.059 0.000 0.991 332 F HN 0.086 nan 8.300 nan 0.000 0.474 333 L N -0.656 120.500 121.223 -0.111 0.000 2.012 333 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 333 L C 2.556 179.241 176.870 -0.309 0.000 1.073 333 L CA 1.688 56.351 54.840 -0.295 0.000 0.748 333 L CB -1.031 40.803 42.059 -0.376 0.000 0.891 333 L HN 0.067 nan 8.230 nan 0.000 0.431 334 S N -1.032 114.541 115.700 -0.212 0.000 2.419 334 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 334 S C 1.933 176.445 174.600 -0.147 0.000 1.019 334 S CA 0.992 59.090 58.200 -0.171 0.000 0.982 334 S CB -0.101 63.032 63.200 -0.112 0.000 0.789 334 S HN 0.408 nan 8.310 nan 0.000 0.490 335 Q N 0.440 120.147 119.800 -0.156 0.000 2.163 335 Q HA 0.154 4.494 4.340 -0.000 0.000 0.198 335 Q C 2.217 178.130 176.000 -0.145 0.000 0.954 335 Q CA 0.621 56.357 55.803 -0.112 0.000 0.851 335 Q CB -0.317 28.400 28.738 -0.036 0.000 0.928 335 Q HN 0.498 nan 8.270 nan 0.000 0.459 336 L N 0.326 121.374 121.223 -0.292 0.000 2.046 336 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 336 L C 2.572 179.408 176.870 -0.057 0.000 1.077 336 L CA 1.041 55.755 54.840 -0.211 0.000 0.747 336 L CB -0.324 41.533 42.059 -0.337 0.000 0.896 336 L HN 0.132 nan 8.230 nan 0.000 0.432 337 R N 0.108 120.535 120.500 -0.122 0.000 2.092 337 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 337 R C 2.132 178.405 176.300 -0.044 0.000 1.119 337 R CA 1.298 57.347 56.100 -0.084 0.000 0.970 337 R CB -0.512 29.671 30.300 -0.194 0.000 0.864 337 R HN 0.306 nan 8.270 nan 0.000 0.440 338 A N 0.716 123.496 122.820 -0.066 0.000 2.248 338 A HA -0.090 4.230 4.320 -0.000 0.000 0.210 338 A C 1.562 179.121 177.584 -0.041 0.000 1.174 338 A CA 1.069 53.075 52.037 -0.050 0.000 0.750 338 A CB -0.446 18.520 19.000 -0.057 0.000 0.780 338 A HN 0.607 nan 8.150 nan 0.000 0.478 339 C N -4.903 114.379 119.300 -0.031 0.000 3.304 339 C HA 0.612 5.072 4.460 -0.000 0.000 0.264 339 C C 1.522 176.521 174.990 0.016 0.000 2.233 339 C CA -0.300 58.699 59.018 -0.030 0.000 1.661 339 C CB -0.675 27.009 27.740 -0.093 0.000 3.383 339 C HN 1.468 nan 8.230 nan 0.000 0.427 340 G N 1.664 110.490 108.800 0.042 0.000 2.262 340 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.269 340 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.269 340 G C 1.072 176.042 174.900 0.116 0.000 0.984 340 G CA 1.390 46.538 45.100 0.080 0.000 0.649 340 G HN 0.608 nan 8.290 nan 0.000 0.548 341 Q N -0.977 118.897 119.800 0.125 0.000 2.291 341 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 341 Q C 1.888 178.009 176.000 0.201 0.000 0.976 341 Q CA 1.511 57.412 55.803 0.163 0.000 0.875 341 Q CB -0.412 28.463 28.738 0.228 0.000 0.927 341 Q HN 0.807 nan 8.270 nan 0.000 0.450 342 Y N 2.247 122.590 120.300 0.071 0.000 2.172 342 Y HA -0.324 4.226 4.550 -0.000 0.000 0.280 342 Y C 1.675 177.688 175.900 0.188 0.000 1.209 342 Y CA 2.075 60.247 58.100 0.120 0.000 1.171 342 Y CB -0.001 38.506 38.460 0.079 0.000 0.965 342 Y HN 0.085 nan 8.280 nan 0.000 0.520 343 E N -0.169 120.000 120.200 -0.052 0.000 2.016 343 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 343 E C 2.090 178.655 176.600 -0.058 0.000 0.985 343 E CA 1.581 57.896 56.400 -0.142 0.000 0.802 343 E CB -0.519 29.153 29.700 -0.047 0.000 0.762 343 E HN 0.462 nan 8.360 nan 0.000 0.448 344 I N 0.293 120.872 120.570 0.015 0.000 2.194 344 I HA -0.235 3.935 4.170 -0.000 0.000 0.246 344 I C 2.097 178.216 176.117 0.004 0.000 1.093 344 I CA 1.119 62.428 61.300 0.015 0.000 1.355 344 I CB -0.499 37.533 38.000 0.053 0.000 1.046 344 I HN 0.073 nan 8.210 nan 0.000 0.413 345 F N 0.622 120.515 119.950 -0.094 0.000 2.134 345 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 345 F C 2.874 178.521 175.800 -0.256 0.000 1.097 345 F CA 1.725 59.622 58.000 -0.171 0.000 1.264 345 F CB -0.477 38.446 39.000 -0.128 0.000 1.001 345 F HN 0.057 nan 8.300 nan 0.000 0.479 346 S N -0.272 115.400 115.700 -0.047 0.000 2.370 346 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 346 S C 1.927 176.425 174.600 -0.170 0.000 1.033 346 S CA 1.919 60.083 58.200 -0.061 0.000 1.011 346 S CB -0.644 62.581 63.200 0.041 0.000 0.852 346 S HN 0.479 nan 8.310 nan 0.000 0.457 347 D N 0.757 121.063 120.400 -0.156 0.000 2.219 347 D HA 0.034 4.674 4.640 -0.000 0.000 0.205 347 D C 2.024 178.195 176.300 -0.215 0.000 0.970 347 D CA 1.094 55.005 54.000 -0.147 0.000 0.851 347 D CB -0.207 40.531 40.800 -0.103 0.000 0.943 347 D HN 0.551 nan 8.370 nan 0.000 0.488 348 A N 0.322 122.952 122.820 -0.316 0.000 2.119 348 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 348 A C 2.073 179.362 177.584 -0.491 0.000 1.152 348 A CA 0.622 52.428 52.037 -0.386 0.000 0.708 348 A CB -0.072 18.665 19.000 -0.439 0.000 0.805 348 A HN 0.066 nan 8.150 nan 0.000 0.460 349 M N -0.469 118.780 119.600 -0.585 0.000 2.357 349 M HA -0.019 4.461 4.480 -0.000 0.000 0.266 349 M C 0.969 177.087 176.300 -0.303 0.000 1.095 349 M CA 1.104 56.076 55.300 -0.545 0.000 1.156 349 M CB -1.116 31.058 32.600 -0.710 0.000 1.365 349 M HN 0.285 nan 8.290 nan 0.000 0.447 350 D N 0.181 120.440 120.400 -0.236 0.000 2.218 350 D HA -0.182 4.458 4.640 -0.000 0.000 0.204 350 D C 1.982 178.206 176.300 -0.127 0.000 0.976 350 D CA 1.010 54.913 54.000 -0.161 0.000 0.853 350 D CB -0.071 40.670 40.800 -0.097 0.000 0.939 350 D HN 0.288 nan 8.370 nan 0.000 0.481 351 Q N -0.217 119.482 119.800 -0.168 0.000 2.062 351 Q HA -0.027 4.313 4.340 -0.000 0.000 0.196 351 Q C 1.892 177.792 176.000 -0.166 0.000 0.967 351 Q CA 0.556 56.269 55.803 -0.151 0.000 0.832 351 Q CB -0.225 28.407 28.738 -0.177 0.000 0.899 351 Q HN 0.168 nan 8.270 nan 0.000 0.442 352 L N 0.220 121.306 121.223 -0.228 0.000 1.970 352 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 352 L C 1.865 178.632 176.870 -0.171 0.000 1.071 352 L CA 2.451 57.149 54.840 -0.237 0.000 0.751 352 L CB -1.410 40.465 42.059 -0.305 0.000 0.889 352 L HN 0.316 nan 8.230 nan 0.000 0.432 353 T N 0.643 115.107 114.554 -0.150 0.000 2.684 353 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 353 T C 1.719 176.412 174.700 -0.012 0.000 1.036 353 T CA 1.597 63.643 62.100 -0.089 0.000 1.148 353 T CB -0.188 68.586 68.868 -0.157 0.000 0.863 353 T HN 0.355 nan 8.240 nan 0.000 0.436 354 N N 0.801 119.501 118.700 0.000 0.000 2.058 354 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 354 N C 2.164 177.666 175.510 -0.013 0.000 1.037 354 N CA 1.148 54.217 53.050 0.032 0.000 0.848 354 N CB -0.818 37.681 38.487 0.021 0.000 1.021 354 N HN 0.221 nan 8.380 nan 0.000 0.422 355 S N 0.435 116.101 115.700 -0.057 0.000 2.419 355 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 355 S C 1.787 176.341 174.600 -0.077 0.000 1.019 355 S CA 0.581 58.737 58.200 -0.075 0.000 0.982 355 S CB -0.220 62.914 63.200 -0.109 0.000 0.789 355 S HN 0.235 nan 8.310 nan 0.000 0.490 356 L N 1.612 122.785 121.223 -0.083 0.000 1.993 356 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 356 L C 1.997 178.882 176.870 0.025 0.000 1.074 356 L CA 1.706 56.495 54.840 -0.085 0.000 0.746 356 L CB -0.756 41.221 42.059 -0.136 0.000 0.896 356 L HN 0.333 nan 8.230 nan 0.000 0.435 357 I N -0.516 120.083 120.570 0.048 0.000 2.236 357 I HA -0.398 3.772 4.170 -0.000 0.000 0.249 357 I C 2.242 178.405 176.117 0.076 0.000 1.102 357 I CA 1.774 63.125 61.300 0.085 0.000 1.365 357 I CB -0.923 37.114 38.000 0.063 0.000 1.051 357 I HN 0.391 nan 8.210 nan 0.000 0.420 358 T N 0.846 115.417 114.554 0.028 0.000 2.595 358 T HA -0.199 4.151 4.350 -0.000 0.000 0.264 358 T C 1.590 176.294 174.700 0.007 0.000 1.058 358 T CA 2.167 64.273 62.100 0.009 0.000 1.166 358 T CB -0.472 68.386 68.868 -0.017 0.000 0.863 358 T HN 0.358 nan 8.240 nan 0.000 0.415 359 N N 0.308 118.991 118.700 -0.029 0.000 2.192 359 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 359 N C 1.145 176.599 175.510 -0.094 0.000 1.013 359 N CA 0.973 53.974 53.050 -0.083 0.000 0.863 359 N CB -0.406 37.987 38.487 -0.156 0.000 0.990 359 N HN 0.501 nan 8.380 nan 0.000 0.430 360 Y N -0.638 119.664 120.300 0.002 0.000 2.519 360 Y HA 0.211 4.761 4.550 -0.000 0.000 0.311 360 Y C 0.078 175.985 175.900 0.013 0.000 1.207 360 Y CA -0.065 58.046 58.100 0.018 0.000 1.289 360 Y CB 0.109 38.577 38.460 0.014 0.000 1.059 360 Y HN -0.008 nan 8.280 nan 0.000 0.507 361 M N 0.178 119.846 119.600 0.113 0.000 2.267 361 M HA 0.183 4.663 4.480 -0.000 0.000 0.289 361 M C -1.647 174.677 176.300 0.040 0.000 1.043 361 M CA -0.679 54.667 55.300 0.076 0.000 0.928 361 M CB 1.454 34.087 32.600 0.055 0.000 1.613 361 M HN -0.141 nan 8.290 nan 0.000 0.450 362 D N 4.853 125.275 120.400 0.037 0.000 2.233 362 D HA 0.565 5.205 4.640 -0.000 0.000 0.240 362 D C -2.436 173.874 176.300 0.017 0.000 1.074 362 D CA -1.304 52.710 54.000 0.023 0.000 0.838 362 D CB 1.268 42.083 40.800 0.025 0.000 1.124 362 D HN 0.264 nan 8.370 nan 0.000 0.475 363 P HA 0.366 nan 4.420 nan 0.000 0.285 363 P C -2.505 174.796 177.300 0.003 0.000 1.259 363 P CA -1.516 61.587 63.100 0.005 0.000 0.794 363 P CB 0.574 32.275 31.700 0.002 0.000 0.940 364 P HA 0.105 nan 4.420 nan 0.000 0.169 364 P C -0.912 176.383 177.300 -0.008 0.000 0.959 364 P CA 1.213 64.309 63.100 -0.006 0.000 1.293 364 P CB -0.687 31.007 31.700 -0.011 0.000 1.566 365 A N 2.553 125.370 122.820 -0.005 0.000 2.577 365 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 365 A C -0.407 177.171 177.584 -0.009 0.000 1.060 365 A CA -0.775 51.256 52.037 -0.009 0.000 0.697 365 A CB 0.813 19.807 19.000 -0.010 0.000 1.281 365 A HN 0.164 nan 8.150 nan 0.000 0.402 366 I N 3.300 123.862 120.570 -0.014 0.000 2.845 366 I HA 0.123 4.293 4.170 -0.000 0.000 0.296 366 I C -1.340 174.762 176.117 -0.026 0.000 1.216 366 I CA -0.529 60.761 61.300 -0.018 0.000 1.438 366 I CB 0.221 38.208 38.000 -0.022 0.000 1.342 366 I HN 0.517 nan 8.210 nan 0.000 0.577 367 P HA 0.219 nan 4.420 nan 0.000 0.274 367 P C -0.829 176.440 177.300 -0.052 0.000 1.237 367 P CA -0.527 62.550 63.100 -0.039 0.000 0.793 367 P CB 0.879 32.553 31.700 -0.043 0.000 0.977 368 A N 0.517 123.309 122.820 -0.046 0.000 2.354 368 A HA 0.542 4.862 4.320 -0.000 0.000 0.269 368 A C 1.189 178.735 177.584 -0.065 0.000 1.109 368 A CA 0.298 52.305 52.037 -0.050 0.000 0.800 368 A CB -0.634 18.343 19.000 -0.038 0.000 1.045 368 A HN 0.907 nan 8.150 nan 0.000 0.489 369 G N 0.133 108.889 108.800 -0.073 0.000 2.141 369 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.231 369 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.231 369 G C -0.137 174.686 174.900 -0.128 0.000 0.984 369 G CA 0.232 45.280 45.100 -0.086 0.000 0.660 369 G HN 1.468 nan 8.290 nan 0.000 0.525 370 L N 1.247 122.377 121.223 -0.155 0.000 2.255 370 L HA 0.820 5.160 4.340 -0.000 0.000 0.289 370 L C 0.205 176.904 176.870 -0.284 0.000 1.046 370 L CA -0.067 54.618 54.840 -0.258 0.000 0.816 370 L CB 0.795 42.696 42.059 -0.263 0.000 1.197 370 L HN 0.979 nan 8.230 nan 0.000 0.427 371 A N 5.195 127.815 122.820 -0.333 0.000 2.429 371 A HA 0.588 4.908 4.320 -0.000 0.000 0.289 371 A C -1.121 176.303 177.584 -0.266 0.000 1.043 371 A CA -0.453 51.443 52.037 -0.235 0.000 0.722 371 A CB 0.316 19.248 19.000 -0.113 0.000 1.243 371 A HN 0.495 nan 8.150 nan 0.000 0.415 372 F N 1.302 121.221 119.950 -0.052 0.000 2.443 372 F HA 0.295 4.822 4.527 -0.000 0.000 0.353 372 F C 1.635 177.399 175.800 -0.060 0.000 1.101 372 F CA 0.538 58.501 58.000 -0.062 0.000 1.226 372 F CB 1.501 40.462 39.000 -0.064 0.000 1.140 372 F HN 0.586 nan 8.300 nan 0.000 0.557 373 T N -0.008 114.621 114.554 0.126 0.000 3.081 373 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 373 T C 0.219 174.931 174.700 0.019 0.000 1.100 373 T CA 0.400 62.527 62.100 0.044 0.000 1.038 373 T CB -0.159 68.715 68.868 0.010 0.000 0.962 373 T HN 0.569 nan 8.240 nan 0.000 0.516 374 S N 0.866 116.577 115.700 0.019 0.000 2.638 374 S HA 0.654 5.124 4.470 -0.000 0.000 0.274 374 S C -3.322 171.178 174.600 -0.168 0.000 1.157 374 S CA -1.662 56.481 58.200 -0.094 0.000 0.826 374 S CB 1.944 65.059 63.200 -0.142 0.000 1.139 374 S HN -0.099 nan 8.310 nan 0.000 0.474 375 P HA 0.131 nan 4.420 nan 0.000 0.274 375 P C 1.342 178.404 177.300 -0.395 0.000 1.237 375 P CA -0.547 62.361 63.100 -0.321 0.000 0.793 375 P CB 0.314 31.765 31.700 -0.415 0.000 0.977 376 W N 3.058 124.221 121.300 -0.229 0.000 2.303 376 W HA -0.233 4.427 4.660 -0.000 0.000 0.287 376 W C 1.014 177.571 176.519 0.063 0.000 1.213 376 W CA 1.155 58.432 57.345 -0.114 0.000 1.203 376 W CB -2.062 27.392 29.460 -0.010 0.000 1.136 376 W HN 0.319 nan 8.180 nan 0.000 0.547 377 F N 0.747 120.069 119.950 -1.047 0.000 2.765 377 F HA 0.440 4.967 4.527 -0.000 0.000 0.302 377 F C 1.635 177.231 175.800 -0.340 0.000 1.111 377 F CA -0.502 56.923 58.000 -0.958 0.000 1.359 377 F CB -0.912 37.273 39.000 -1.359 0.000 1.097 377 F HN -0.292 nan 8.300 nan 0.000 0.577 378 R N -0.137 120.049 120.500 -0.523 0.000 2.586 378 R HA 0.145 4.485 4.340 -0.000 0.000 0.306 378 R C 1.022 177.301 176.300 -0.036 0.000 1.079 378 R CA -0.397 55.556 56.100 -0.244 0.000 1.083 378 R CB -0.768 29.310 30.300 -0.370 0.000 1.306 378 R HN 0.297 nan 8.270 nan 0.000 0.567 379 F N 1.226 121.102 119.950 -0.122 0.000 2.063 379 F HA -0.536 3.991 4.527 -0.000 0.000 0.281 379 F C 2.485 178.284 175.800 -0.001 0.000 1.066 379 F CA 2.393 60.373 58.000 -0.034 0.000 1.325 379 F CB -0.612 38.392 39.000 0.008 0.000 0.953 379 F HN 0.203 nan 8.300 nan 0.000 0.493 380 S N -0.625 115.231 115.700 0.259 0.000 2.399 380 S HA -0.350 4.120 4.470 -0.000 0.000 0.235 380 S C 1.822 176.430 174.600 0.014 0.000 1.063 380 S CA 2.228 60.512 58.200 0.139 0.000 1.070 380 S CB -0.546 62.710 63.200 0.094 0.000 0.904 380 S HN 0.738 nan 8.310 nan 0.000 0.456 381 E N 0.071 120.257 120.200 -0.023 0.000 2.060 381 E HA 0.057 4.407 4.350 -0.000 0.000 0.189 381 E C 2.597 179.166 176.600 -0.053 0.000 0.974 381 E CA 0.429 56.806 56.400 -0.039 0.000 0.808 381 E CB -0.216 29.461 29.700 -0.038 0.000 0.768 381 E HN 0.435 nan 8.360 nan 0.000 0.453 382 R N 0.859 121.303 120.500 -0.094 0.000 2.139 382 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 382 R C 2.328 178.553 176.300 -0.126 0.000 1.145 382 R CA 1.134 57.210 56.100 -0.040 0.000 0.976 382 R CB -0.356 29.802 30.300 -0.236 0.000 0.866 382 R HN 0.133 nan 8.270 nan 0.000 0.449 383 A N 1.798 124.427 122.820 -0.318 0.000 1.902 383 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 383 A C 2.153 179.671 177.584 -0.109 0.000 1.181 383 A CA 1.612 53.480 52.037 -0.283 0.000 0.623 383 A CB -0.451 18.402 19.000 -0.245 0.000 0.818 383 A HN 0.412 nan 8.150 nan 0.000 0.443 384 R N -0.876 119.580 120.500 -0.074 0.000 2.115 384 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 384 R C 1.779 178.050 176.300 -0.049 0.000 1.111 384 R CA 1.984 58.056 56.100 -0.047 0.000 0.976 384 R CB -1.126 29.155 30.300 -0.032 0.000 0.870 384 R HN 0.313 nan 8.270 nan 0.000 0.445 385 T N 1.701 116.228 114.554 -0.045 0.000 2.674 385 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 385 T C 1.924 176.562 174.700 -0.104 0.000 1.039 385 T CA 1.716 63.771 62.100 -0.074 0.000 1.150 385 T CB -0.166 68.668 68.868 -0.058 0.000 0.864 385 T HN 0.172 nan 8.240 nan 0.000 0.427 386 I N 0.901 121.431 120.570 -0.068 0.000 2.179 386 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 386 I C 1.484 177.561 176.117 -0.067 0.000 1.088 386 I CA 1.198 62.456 61.300 -0.070 0.000 1.357 386 I CB -0.425 37.559 38.000 -0.027 0.000 1.051 386 I HN 0.175 nan 8.210 nan 0.000 0.409 387 L N 1.052 122.242 121.223 -0.056 0.000 2.855 387 L HA 0.058 4.398 4.340 -0.000 0.000 0.257 387 L C 1.216 178.059 176.870 -0.044 0.000 1.206 387 L CA -0.057 54.756 54.840 -0.045 0.000 1.042 387 L CB -0.502 41.536 42.059 -0.035 0.000 1.321 387 L HN 0.232 nan 8.230 nan 0.000 0.417 388 A N -0.432 122.355 122.820 -0.056 0.000 2.653 388 A HA 0.346 4.666 4.320 -0.000 0.000 0.248 388 A C 0.488 178.037 177.584 -0.058 0.000 1.211 388 A CA -0.366 51.639 52.037 -0.053 0.000 0.991 388 A CB 0.447 19.413 19.000 -0.058 0.000 1.252 388 A HN 0.253 nan 8.150 nan 0.000 0.593 389 L N 1.375 122.559 121.223 -0.064 0.000 2.356 389 L HA 0.199 4.539 4.340 -0.000 0.000 0.282 389 L C 0.938 177.782 176.870 -0.043 0.000 1.132 389 L CA -0.203 54.599 54.840 -0.063 0.000 0.923 389 L CB 0.342 42.358 42.059 -0.072 0.000 1.278 389 L HN 0.385 nan 8.230 nan 0.000 0.436 390 Q N 1.831 121.609 119.800 -0.037 0.000 2.515 390 Q HA -0.074 4.266 4.340 -0.000 0.000 0.212 390 Q C 0.918 176.906 176.000 -0.021 0.000 0.970 390 Q CA 0.471 56.259 55.803 -0.026 0.000 0.941 390 Q CB 0.098 28.823 28.738 -0.022 0.000 0.998 390 Q HN 0.746 nan 8.270 nan 0.000 0.518 391 N N -0.909 117.776 118.700 -0.025 0.000 2.236 391 N HA 0.037 4.777 4.740 -0.000 0.000 0.196 391 N C -0.083 175.418 175.510 -0.015 0.000 1.114 391 N CA 0.120 53.158 53.050 -0.020 0.000 0.859 391 N CB 0.825 39.298 38.487 -0.024 0.000 0.982 391 N HN -0.107 nan 8.380 nan 0.000 0.493 392 V N 1.275 121.179 119.914 -0.016 0.000 2.540 392 V HA 0.131 4.251 4.120 -0.000 0.000 0.302 392 V C -0.304 175.786 176.094 -0.007 0.000 1.035 392 V CA -1.099 61.196 62.300 -0.009 0.000 0.873 392 V CB 1.977 33.792 31.823 -0.014 0.000 0.992 392 V HN -0.010 nan 8.190 nan 0.000 0.428 393 D N 2.241 122.643 120.400 0.003 0.000 2.629 393 D HA -0.085 4.555 4.640 -0.000 0.000 0.228 393 D C 0.858 177.156 176.300 -0.003 0.000 1.127 393 D CA 0.228 54.231 54.000 0.005 0.000 0.855 393 D CB 0.935 41.744 40.800 0.016 0.000 1.180 393 D HN 0.455 nan 8.370 nan 0.000 0.484 394 L N 5.046 126.267 121.223 -0.003 0.000 1.989 394 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 394 L C 1.728 178.592 176.870 -0.009 0.000 1.071 394 L CA 1.786 56.621 54.840 -0.007 0.000 0.749 394 L CB -0.786 41.272 42.059 -0.002 0.000 0.890 394 L HN 0.473 nan 8.230 nan 0.000 0.431 395 N N 0.025 118.725 118.700 0.000 0.000 2.137 395 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 395 N C 1.974 177.472 175.510 -0.019 0.000 1.017 395 N CA 2.121 55.172 53.050 0.002 0.000 0.859 395 N CB -0.348 38.151 38.487 0.019 0.000 1.002 395 N HN 0.491 nan 8.380 nan 0.000 0.428 396 I N 0.857 121.417 120.570 -0.017 0.000 2.439 396 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 396 I C 2.459 178.505 176.117 -0.117 0.000 1.139 396 I CA 0.588 61.860 61.300 -0.048 0.000 1.438 396 I CB -0.088 37.923 38.000 0.018 0.000 1.085 396 I HN 0.067 nan 8.210 nan 0.000 0.427 397 R N 1.141 121.599 120.500 -0.071 0.000 2.070 397 R HA -0.172 4.168 4.340 -0.000 0.000 0.233 397 R C 2.329 178.574 176.300 -0.092 0.000 1.137 397 R CA 1.567 57.622 56.100 -0.075 0.000 0.945 397 R CB -0.164 30.109 30.300 -0.046 0.000 0.845 397 R HN 0.296 nan 8.270 nan 0.000 0.430 398 K N 0.357 120.718 120.400 -0.065 0.000 2.001 398 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 398 K C 2.093 178.636 176.600 -0.095 0.000 1.050 398 K CA 1.548 57.809 56.287 -0.043 0.000 0.934 398 K CB -0.393 32.100 32.500 -0.012 0.000 0.718 398 K HN 0.005 nan 8.250 nan 0.000 0.443 399 L N 1.247 122.365 121.223 -0.175 0.000 2.043 399 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 399 L C 2.216 178.786 176.870 -0.500 0.000 1.075 399 L CA 1.569 56.210 54.840 -0.331 0.000 0.752 399 L CB -0.391 41.434 42.059 -0.391 0.000 0.891 399 L HN 0.222 nan 8.230 nan 0.000 0.432 400 I N -1.852 118.413 120.570 -0.507 0.000 2.127 400 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 400 I C 2.354 178.405 176.117 -0.109 0.000 1.075 400 I CA 1.224 62.299 61.300 -0.376 0.000 1.334 400 I CB -0.478 37.381 38.000 -0.235 0.000 1.040 400 I HN 0.024 nan 8.210 nan 0.000 0.405 401 V N 0.939 120.830 119.914 -0.038 0.000 2.231 401 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 401 V C 2.609 178.892 176.094 0.315 0.000 1.054 401 V CA 2.042 64.416 62.300 0.124 0.000 1.015 401 V CB -0.888 31.005 31.823 0.117 0.000 0.638 401 V HN 0.378 nan 8.190 nan 0.000 0.444 402 R N -0.942 119.651 120.500 0.155 0.000 2.094 402 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 402 R C 2.317 178.681 176.300 0.107 0.000 1.137 402 R CA 2.340 58.517 56.100 0.129 0.000 0.943 402 R CB -0.795 29.495 30.300 -0.018 0.000 0.850 402 R HN 0.730 nan 8.270 nan 0.000 0.433 403 H N 0.429 119.276 119.070 -0.371 0.000 2.290 403 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 403 H C 2.340 177.752 175.328 0.140 0.000 1.087 403 H CA 1.619 57.467 56.048 -0.334 0.000 1.291 403 H CB -0.035 29.516 29.762 -0.351 0.000 1.369 403 H HN 0.119 nan 8.280 nan 0.000 0.492 404 L N -0.168 121.248 121.223 0.320 0.000 2.042 404 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 404 L C 2.349 179.536 176.870 0.528 0.000 1.076 404 L CA 1.672 56.712 54.840 0.335 0.000 0.749 404 L CB -0.367 41.853 42.059 0.269 0.000 0.893 404 L HN 0.511 nan 8.230 nan 0.000 0.432 405 W N -0.451 121.121 121.300 0.453 0.000 2.338 405 W HA -0.263 4.397 4.660 -0.000 0.000 0.304 405 W C 2.207 178.795 176.519 0.115 0.000 1.212 405 W CA 2.102 59.524 57.345 0.128 0.000 1.264 405 W CB -0.172 29.347 29.460 0.099 0.000 1.142 405 W HN -0.064 nan 8.180 nan 0.000 0.512 406 V N 0.936 121.306 119.914 0.760 0.000 2.343 406 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 406 V C 2.162 178.478 176.094 0.370 0.000 1.051 406 V CA 1.647 64.342 62.300 0.657 0.000 1.036 406 V CB -0.876 31.331 31.823 0.640 0.000 0.654 406 V HN 0.188 nan 8.190 nan 0.000 0.451 407 I N 0.168 120.935 120.570 0.329 0.000 2.202 407 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 407 I C 2.570 178.763 176.117 0.126 0.000 1.091 407 I CA 1.787 63.187 61.300 0.166 0.000 1.368 407 I CB -1.665 36.387 38.000 0.086 0.000 1.058 407 I HN 0.323 nan 8.210 nan 0.000 0.410 408 T N 1.370 115.992 114.554 0.113 0.000 2.665 408 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 408 T C 2.113 176.788 174.700 -0.042 0.000 1.035 408 T CA 2.272 64.428 62.100 0.094 0.000 1.151 408 T CB -0.366 68.479 68.868 -0.039 0.000 0.862 408 T HN 0.563 nan 8.240 nan 0.000 0.438 409 S N 1.883 117.403 115.700 -0.300 0.000 2.368 409 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 409 S C 2.122 176.725 174.600 0.005 0.000 1.030 409 S CA 0.969 58.977 58.200 -0.321 0.000 0.999 409 S CB -0.916 61.984 63.200 -0.501 0.000 0.844 409 S HN 0.452 nan 8.310 nan 0.000 0.459 410 L N 0.648 121.952 121.223 0.135 0.000 2.083 410 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 410 L C 2.629 179.622 176.870 0.205 0.000 1.083 410 L CA 1.238 56.234 54.840 0.260 0.000 0.752 410 L CB -0.602 41.577 42.059 0.199 0.000 0.899 410 L HN 0.339 nan 8.230 nan 0.000 0.433 411 I N -0.095 120.598 120.570 0.204 0.000 2.142 411 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 411 I C 2.772 178.841 176.117 -0.079 0.000 1.078 411 I CA 1.222 62.645 61.300 0.206 0.000 1.343 411 I CB -0.449 37.690 38.000 0.232 0.000 1.046 411 I HN 0.189 nan 8.210 nan 0.000 0.405 412 A N 0.093 122.927 122.820 0.023 0.000 2.084 412 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 412 A C 2.317 179.909 177.584 0.014 0.000 1.161 412 A CA 1.847 53.909 52.037 0.041 0.000 0.653 412 A CB -0.710 18.350 19.000 0.099 0.000 0.802 412 A HN 0.318 nan 8.150 nan 0.000 0.457 413 V N -2.414 117.512 119.914 0.020 0.000 2.492 413 V HA -0.023 4.097 4.120 -0.000 0.000 0.241 413 V C 2.034 178.037 176.094 -0.151 0.000 1.041 413 V CA 1.271 63.562 62.300 -0.016 0.000 1.057 413 V CB -0.754 31.091 31.823 0.036 0.000 0.711 413 V HN 0.519 nan 8.190 nan 0.000 0.468 414 F N 1.449 121.170 119.950 -0.382 0.000 2.367 414 F HA 0.174 4.701 4.527 -0.000 0.000 0.298 414 F C 2.267 177.853 175.800 -0.357 0.000 1.094 414 F CA 1.178 58.831 58.000 -0.577 0.000 1.409 414 F CB -0.723 37.361 39.000 -1.527 0.000 1.064 414 F HN 0.201 nan 8.300 nan 0.000 0.528 415 G N -0.475 108.228 108.800 -0.162 0.000 2.551 415 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 415 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 415 G C 1.661 176.732 174.900 0.285 0.000 1.137 415 G CA -0.072 45.020 45.100 -0.014 0.000 0.798 415 G HN 0.180 nan 8.290 nan 0.000 0.536 416 R N -0.523 120.018 120.500 0.068 0.000 2.198 416 R HA -0.198 4.142 4.340 -0.000 0.000 0.258 416 R C 1.109 177.310 176.300 -0.164 0.000 1.173 416 R CA 1.514 57.579 56.100 -0.059 0.000 0.991 416 R CB -0.476 29.596 30.300 -0.381 0.000 0.879 416 R HN 0.557 nan 8.270 nan 0.000 0.460 417 Y N -1.368 119.065 120.300 0.223 0.000 2.583 417 Y HA 0.067 4.617 4.550 -0.000 0.000 0.294 417 Y C 0.038 176.081 175.900 0.238 0.000 1.170 417 Y CA -0.943 57.266 58.100 0.180 0.000 1.265 417 Y CB -0.066 38.462 38.460 0.114 0.000 1.119 417 Y HN -0.005 nan 8.280 nan 0.000 0.522 418 Y N 2.866 123.304 120.300 0.230 0.000 2.713 418 Y HA 0.079 4.629 4.550 -0.000 0.000 0.341 418 Y C 0.394 176.364 175.900 0.117 0.000 1.167 418 Y CA -0.512 57.704 58.100 0.194 0.000 1.503 418 Y CB 0.019 38.615 38.460 0.227 0.000 1.199 418 Y HN 0.132 nan 8.280 nan 0.000 0.525 419 R N 9.258 129.675 120.500 -0.139 0.000 2.639 419 R HA 0.237 4.577 4.340 -0.000 0.000 0.273 419 R C -1.999 174.135 176.300 -0.276 0.000 1.732 419 R CA -1.623 54.344 56.100 -0.222 0.000 1.586 419 R CB 0.671 30.942 30.300 -0.048 0.000 1.263 419 R HN 0.422 nan 8.270 nan 0.000 0.615 420 P HA -0.311 nan 4.420 nan 0.000 0.207 420 P C -0.524 176.710 177.300 -0.111 0.000 1.115 420 P CA 1.150 64.050 63.100 -0.334 0.000 0.956 420 P CB -0.143 31.322 31.700 -0.392 0.000 0.774 421 N N 0.000 118.638 118.700 -0.104 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 421 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667