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_H DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE AGYVSDPRVP 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 0.000 176.709 176.300 0.681 0.000 1.140 1 M CA 0.000 55.557 55.300 0.428 0.000 0.988 1 M CB 0.000 32.684 32.600 0.140 0.000 1.302 2 S N 1.761 117.687 115.700 0.377 0.000 2.542 2 S HA -0.055 4.415 4.470 -0.000 0.000 0.287 2 S C 0.851 175.601 174.600 0.250 0.000 1.315 2 S CA 0.700 59.053 58.200 0.255 0.000 1.037 2 S CB 0.144 63.403 63.200 0.097 0.000 0.822 2 S HN 0.766 nan 8.310 nan 0.000 0.513 3 R N 0.954 121.315 120.500 -0.232 0.000 2.117 3 R HA -0.251 4.089 4.340 -0.000 0.000 0.243 3 R C 2.101 178.380 176.300 -0.035 0.000 1.143 3 R CA 1.669 57.464 56.100 -0.507 0.000 0.968 3 R CB -0.760 28.886 30.300 -1.090 0.000 0.863 3 R HN 0.690 nan 8.270 nan 0.000 0.444 4 Q N 1.200 120.974 119.800 -0.043 0.000 2.096 4 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 4 Q C 2.202 178.277 176.000 0.125 0.000 0.982 4 Q CA 2.152 57.973 55.803 0.029 0.000 0.850 4 Q CB -0.199 28.538 28.738 -0.001 0.000 0.901 4 Q HN 0.481 nan 8.270 nan 0.000 0.422 5 M N -1.853 117.832 119.600 0.141 0.000 2.108 5 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 5 M C 1.706 178.098 176.300 0.154 0.000 1.066 5 M CA 1.625 56.988 55.300 0.106 0.000 1.107 5 M CB -0.517 32.119 32.600 0.059 0.000 1.356 5 M HN 0.286 nan 8.290 nan 0.000 0.406 6 W N 0.843 122.285 121.300 0.237 0.000 2.354 6 W HA -0.155 4.505 4.660 -0.000 0.000 0.315 6 W C 2.191 178.890 176.519 0.301 0.000 1.206 6 W CA 1.051 58.584 57.345 0.314 0.000 1.290 6 W CB -0.586 29.142 29.460 0.446 0.000 1.152 6 W HN 0.093 nan 8.180 nan 0.000 0.489 7 L N -0.289 121.220 121.223 0.477 0.000 2.012 7 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 7 L C 2.063 179.136 176.870 0.339 0.000 1.073 7 L CA 1.633 56.712 54.840 0.399 0.000 0.748 7 L CB -1.031 41.201 42.059 0.288 0.000 0.891 7 L HN -0.066 nan 8.230 nan 0.000 0.431 8 D N -0.392 120.145 120.400 0.227 0.000 2.108 8 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 8 D C 2.153 178.481 176.300 0.047 0.000 0.995 8 D CA 1.967 56.021 54.000 0.091 0.000 0.834 8 D CB -0.306 40.525 40.800 0.051 0.000 0.967 8 D HN 0.167 nan 8.370 nan 0.000 0.446 9 T N -0.609 113.999 114.554 0.090 0.000 2.759 9 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 9 T C 1.987 176.712 174.700 0.042 0.000 1.042 9 T CA 1.595 63.734 62.100 0.065 0.000 1.140 9 T CB -0.438 68.491 68.868 0.102 0.000 0.864 9 T HN 0.145 nan 8.240 nan 0.000 0.455 10 S N 1.537 117.358 115.700 0.202 0.000 2.348 10 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 10 S C 2.474 177.054 174.600 -0.033 0.000 1.033 10 S CA 1.491 59.746 58.200 0.091 0.000 1.010 10 S CB -0.681 62.735 63.200 0.360 0.000 0.891 10 S HN 0.503 nan 8.310 nan 0.000 0.442 11 A N 1.398 124.206 122.820 -0.020 0.000 1.997 11 A HA -0.087 4.233 4.320 -0.000 0.000 0.221 11 A C 2.230 179.702 177.584 -0.187 0.000 1.172 11 A CA 1.894 53.800 52.037 -0.218 0.000 0.645 11 A CB -0.966 17.672 19.000 -0.604 0.000 0.813 11 A HN 0.656 nan 8.150 nan 0.000 0.454 12 L N -0.483 120.648 121.223 -0.153 0.000 2.044 12 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 12 L C 2.265 179.054 176.870 -0.135 0.000 1.075 12 L CA 1.633 56.386 54.840 -0.146 0.000 0.747 12 L CB -0.542 41.442 42.059 -0.125 0.000 0.903 12 L HN 0.396 nan 8.230 nan 0.000 0.435 13 L N -0.639 120.483 121.223 -0.168 0.000 2.083 13 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 13 L C 2.560 179.394 176.870 -0.061 0.000 1.083 13 L CA 1.456 56.203 54.840 -0.154 0.000 0.752 13 L CB -0.650 41.206 42.059 -0.338 0.000 0.899 13 L HN 0.379 nan 8.230 nan 0.000 0.433 14 E N 0.029 120.193 120.200 -0.060 0.000 2.110 14 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 14 E C 2.264 178.882 176.600 0.030 0.000 0.988 14 E CA 1.121 57.527 56.400 0.010 0.000 0.804 14 E CB -0.039 29.675 29.700 0.023 0.000 0.745 14 E HN 0.503 nan 8.360 nan 0.000 0.458 15 A N 1.021 123.834 122.820 -0.012 0.000 1.929 15 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 15 A C 2.102 179.718 177.584 0.053 0.000 1.176 15 A CA 0.676 52.731 52.037 0.031 0.000 0.628 15 A CB -0.401 18.562 19.000 -0.062 0.000 0.816 15 A HN 0.123 nan 8.150 nan 0.000 0.444 16 I N -0.376 120.175 120.570 -0.032 0.000 2.226 16 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 16 I C 2.890 179.037 176.117 0.049 0.000 1.100 16 I CA 1.519 62.780 61.300 -0.066 0.000 1.374 16 I CB -0.289 37.675 38.000 -0.060 0.000 1.057 16 I HN 0.479 nan 8.210 nan 0.000 0.413 17 S N 0.644 116.404 115.700 0.101 0.000 2.351 17 S HA -0.316 4.154 4.470 -0.000 0.000 0.220 17 S C 2.059 176.721 174.600 0.103 0.000 1.035 17 S CA 2.080 60.361 58.200 0.136 0.000 1.031 17 S CB -0.431 62.849 63.200 0.133 0.000 0.928 17 S HN 0.465 nan 8.310 nan 0.000 0.433 18 E N -0.817 119.441 120.200 0.096 0.000 2.086 18 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 18 E C 1.877 178.457 176.600 -0.032 0.000 1.027 18 E CA 2.093 58.518 56.400 0.042 0.000 0.830 18 E CB -0.366 29.375 29.700 0.068 0.000 0.751 18 E HN 0.783 nan 8.360 nan 0.000 0.456 19 Y N -0.503 119.761 120.300 -0.060 0.000 2.439 19 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 19 Y C 2.157 178.022 175.900 -0.058 0.000 1.130 19 Y CA 0.476 58.525 58.100 -0.084 0.000 1.254 19 Y CB -0.023 38.337 38.460 -0.167 0.000 1.000 19 Y HN -0.020 nan 8.280 nan 0.000 0.554 20 V N -1.068 118.894 119.914 0.081 0.000 2.358 20 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 20 V C 2.142 178.278 176.094 0.070 0.000 1.047 20 V CA 1.671 64.029 62.300 0.096 0.000 1.035 20 V CB -0.638 31.273 31.823 0.147 0.000 0.658 20 V HN 0.230 nan 8.190 nan 0.000 0.452 21 V N -0.064 119.876 119.914 0.043 0.000 2.407 21 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 21 V C 2.474 178.562 176.094 -0.010 0.000 1.055 21 V CA 1.855 64.166 62.300 0.019 0.000 1.049 21 V CB -0.976 30.851 31.823 0.006 0.000 0.662 21 V HN 0.458 nan 8.190 nan 0.000 0.455 22 R N -0.630 119.836 120.500 -0.057 0.000 2.152 22 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 22 R C 2.171 178.465 176.300 -0.010 0.000 1.117 22 R CA 1.707 57.757 56.100 -0.084 0.000 0.981 22 R CB -0.536 29.628 30.300 -0.226 0.000 0.870 22 R HN 0.490 nan 8.270 nan 0.000 0.451 23 C N 0.001 119.322 119.300 0.035 0.000 2.533 23 C HA 0.053 4.513 4.460 -0.000 0.000 0.272 23 C C 1.191 176.207 174.990 0.044 0.000 1.371 23 C CA -0.792 58.275 59.018 0.081 0.000 1.758 23 C CB -1.318 26.529 27.740 0.178 0.000 1.972 23 C HN 0.488 nan 8.230 nan 0.000 0.522 24 N N 0.890 119.610 118.700 0.035 0.000 2.301 24 N HA 0.171 4.911 4.740 -0.000 0.000 0.267 24 N C 1.138 176.635 175.510 -0.023 0.000 1.304 24 N CA 0.914 53.971 53.050 0.012 0.000 0.851 24 N CB 0.130 38.630 38.487 0.021 0.000 1.070 24 N HN 0.583 nan 8.380 nan 0.000 0.483 25 G N 3.261 112.013 108.800 -0.080 0.000 2.179 25 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 25 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 25 G C -0.143 174.648 174.900 -0.182 0.000 1.010 25 G CA 0.317 45.335 45.100 -0.136 0.000 0.736 25 G HN 0.785 nan 8.290 nan 0.000 0.513 26 D N 0.106 120.397 120.400 -0.182 0.000 2.740 26 D HA 0.221 4.861 4.640 -0.000 0.000 0.301 26 D C 0.719 176.915 176.300 -0.174 0.000 1.408 26 D CA 0.674 54.656 54.000 -0.030 0.000 0.808 26 D CB 0.328 41.193 40.800 0.110 0.000 1.128 26 D HN 0.453 nan 8.370 nan 0.000 0.465 27 T N -1.030 113.205 114.554 -0.532 0.000 3.332 27 T HA 0.448 4.798 4.350 -0.000 0.000 0.385 27 T C 0.023 174.402 174.700 -0.535 0.000 1.695 27 T CA -0.650 61.201 62.100 -0.415 0.000 1.397 27 T CB -0.550 68.116 68.868 -0.337 0.000 1.100 27 T HN -0.213 nan 8.240 nan 0.000 0.669 28 F N 1.485 121.379 119.950 -0.093 0.000 2.377 28 F HA 0.423 4.950 4.527 -0.000 0.000 0.328 28 F C 2.144 177.896 175.800 -0.080 0.000 1.094 28 F CA -1.032 56.927 58.000 -0.069 0.000 1.093 28 F CB 1.000 39.975 39.000 -0.042 0.000 1.214 28 F HN 0.481 nan 8.300 nan 0.000 0.518 29 S N 1.112 116.875 115.700 0.105 0.000 2.378 29 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 29 S C 1.893 176.519 174.600 0.043 0.000 1.052 29 S CA 1.375 59.600 58.200 0.043 0.000 1.084 29 S CB -1.319 61.910 63.200 0.047 0.000 0.950 29 S HN 0.887 nan 8.310 nan 0.000 0.440 30 G N 0.911 109.749 108.800 0.063 0.000 3.181 30 G HA2 0.495 4.455 3.960 -0.000 0.000 0.219 30 G HA3 0.495 4.455 3.960 -0.000 0.000 0.219 30 G C 0.076 175.004 174.900 0.048 0.000 1.182 30 G CA -0.335 44.792 45.100 0.045 0.000 0.791 30 G HN 0.455 nan 8.290 nan 0.000 0.537 31 L N 1.231 122.490 121.223 0.060 0.000 2.362 31 L HA 0.443 4.783 4.340 -0.000 0.000 0.275 31 L C -0.408 176.483 176.870 0.035 0.000 0.998 31 L CA -0.819 54.057 54.840 0.059 0.000 0.820 31 L CB 2.467 44.579 42.059 0.089 0.000 1.270 31 L HN 0.014 nan 8.230 nan 0.000 0.415 32 T N -1.858 112.729 114.554 0.055 0.000 2.874 32 T HA 0.392 4.742 4.350 -0.000 0.000 0.321 32 T C 0.108 174.861 174.700 0.088 0.000 1.075 32 T CA -0.737 61.399 62.100 0.060 0.000 0.966 32 T CB 0.811 69.756 68.868 0.128 0.000 1.001 32 T HN 0.618 nan 8.240 nan 0.000 0.476 33 T N 0.679 115.294 114.554 0.102 0.000 2.904 33 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 33 T C 1.794 176.569 174.700 0.124 0.000 1.018 33 T CA -0.234 61.933 62.100 0.112 0.000 1.075 33 T CB 1.138 70.079 68.868 0.122 0.000 0.986 33 T HN 0.608 nan 8.240 nan 0.000 0.523 34 G N 1.349 110.207 108.800 0.097 0.000 2.469 34 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.220 34 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.220 34 G C 1.036 176.005 174.900 0.115 0.000 1.136 34 G CA 0.834 45.987 45.100 0.088 0.000 0.759 34 G HN 0.785 nan 8.290 nan 0.000 0.562 35 D N -0.089 120.401 120.400 0.151 0.000 2.104 35 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 35 D C 1.920 178.330 176.300 0.183 0.000 0.994 35 D CA 0.629 54.762 54.000 0.222 0.000 0.830 35 D CB -0.475 40.401 40.800 0.127 0.000 0.959 35 D HN 0.320 nan 8.370 nan 0.000 0.452 36 F N 1.203 121.155 119.950 0.004 0.000 2.234 36 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 36 F C 1.941 177.643 175.800 -0.164 0.000 1.087 36 F CA 0.988 58.941 58.000 -0.078 0.000 1.340 36 F CB -0.110 38.826 39.000 -0.108 0.000 1.031 36 F HN -0.115 nan 8.300 nan 0.000 0.500 37 N N 0.671 119.320 118.700 -0.084 0.000 2.058 37 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 37 N C 2.072 177.427 175.510 -0.259 0.000 1.037 37 N CA 1.489 54.434 53.050 -0.175 0.000 0.848 37 N CB -0.371 38.104 38.487 -0.020 0.000 1.021 37 N HN 0.376 nan 8.380 nan 0.000 0.422 38 A N 1.768 124.460 122.820 -0.213 0.000 1.873 38 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 38 A C 2.282 179.568 177.584 -0.496 0.000 1.193 38 A CA 1.512 53.340 52.037 -0.348 0.000 0.629 38 A CB -1.120 17.616 19.000 -0.441 0.000 0.826 38 A HN 0.403 nan 8.150 nan 0.000 0.447 39 L N -0.165 120.758 121.223 -0.501 0.000 2.013 39 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 39 L C 2.527 178.862 176.870 -0.892 0.000 1.073 39 L CA 2.798 57.229 54.840 -0.683 0.000 0.753 39 L CB -0.913 40.808 42.059 -0.564 0.000 0.890 39 L HN 0.332 nan 8.230 nan 0.000 0.432 40 S N -0.500 114.746 115.700 -0.757 0.000 2.359 40 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 40 S C 1.859 176.313 174.600 -0.243 0.000 1.035 40 S CA 1.521 59.428 58.200 -0.488 0.000 1.018 40 S CB -0.435 62.441 63.200 -0.540 0.000 0.876 40 S HN 0.647 nan 8.310 nan 0.000 0.448 41 N N 0.596 119.147 118.700 -0.249 0.000 2.309 41 N HA 0.008 4.748 4.740 -0.000 0.000 0.182 41 N C 1.670 177.071 175.510 -0.182 0.000 1.018 41 N CA 0.988 53.946 53.050 -0.154 0.000 0.876 41 N CB -0.244 38.155 38.487 -0.147 0.000 0.972 41 N HN 0.497 nan 8.380 nan 0.000 0.434 42 M N -0.622 118.788 119.600 -0.316 0.000 2.200 42 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 42 M C 1.743 177.944 176.300 -0.165 0.000 1.066 42 M CA 1.095 56.218 55.300 -0.294 0.000 1.127 42 M CB -0.362 31.983 32.600 -0.426 0.000 1.379 42 M HN 0.032 nan 8.290 nan 0.000 0.420 43 F N 0.540 120.399 119.950 -0.151 0.000 2.091 43 F HA -0.282 4.245 4.527 -0.000 0.000 0.299 43 F C 2.597 178.348 175.800 -0.083 0.000 1.103 43 F CA 1.270 59.198 58.000 -0.120 0.000 1.228 43 F CB -0.720 38.205 39.000 -0.125 0.000 0.984 43 F HN 0.161 nan 8.300 nan 0.000 0.477 44 T N -0.730 113.897 114.554 0.122 0.000 2.635 44 T HA -0.355 3.995 4.350 -0.000 0.000 0.267 44 T C 1.730 176.439 174.700 0.016 0.000 1.040 44 T CA 1.792 63.924 62.100 0.053 0.000 1.156 44 T CB -0.532 68.350 68.868 0.023 0.000 0.863 44 T HN 0.242 nan 8.240 nan 0.000 0.430 45 Q N 0.067 119.857 119.800 -0.017 0.000 2.152 45 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 45 Q C 2.076 178.067 176.000 -0.015 0.000 0.985 45 Q CA 1.247 57.027 55.803 -0.038 0.000 0.863 45 Q CB -0.348 28.345 28.738 -0.075 0.000 0.904 45 Q HN 0.418 nan 8.270 nan 0.000 0.422 46 L N -0.731 120.506 121.223 0.023 0.000 1.950 46 L HA 0.031 4.371 4.340 -0.000 0.000 0.210 46 L C 0.585 177.517 176.870 0.104 0.000 1.079 46 L CA 1.780 56.664 54.840 0.073 0.000 0.754 46 L CB -0.417 41.702 42.059 0.100 0.000 0.889 46 L HN 0.092 nan 8.230 nan 0.000 0.433 47 S N -1.206 114.558 115.700 0.106 0.000 2.601 47 S HA 0.293 4.763 4.470 -0.000 0.000 0.312 47 S C 0.971 175.581 174.600 0.017 0.000 1.107 47 S CA -0.600 57.643 58.200 0.073 0.000 1.129 47 S CB 0.788 64.072 63.200 0.141 0.000 0.982 47 S HN 0.161 nan 8.310 nan 0.000 0.469 48 V N 4.802 124.701 119.914 -0.025 0.000 2.660 48 V HA -0.165 3.955 4.120 -0.000 0.000 0.257 48 V C 2.763 178.850 176.094 -0.012 0.000 1.088 48 V CA 2.144 64.430 62.300 -0.023 0.000 1.106 48 V CB -1.364 30.431 31.823 -0.046 0.000 0.686 48 V HN 0.941 nan 8.190 nan 0.000 0.481 49 S N 1.610 117.303 115.700 -0.013 0.000 2.372 49 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 49 S C 1.470 176.070 174.600 -0.000 0.000 1.044 49 S CA 1.647 59.843 58.200 -0.007 0.000 1.050 49 S CB -0.568 62.631 63.200 -0.001 0.000 0.901 49 S HN 0.835 nan 8.310 nan 0.000 0.447 50 S N 1.563 117.265 115.700 0.004 0.000 2.642 50 S HA 0.760 5.230 4.470 -0.000 0.000 0.309 50 S C -0.304 174.318 174.600 0.038 0.000 1.125 50 S CA -0.376 57.828 58.200 0.007 0.000 1.055 50 S CB 0.510 63.691 63.200 -0.031 0.000 1.157 50 S HN 0.718 nan 8.310 nan 0.000 0.513 51 A N 2.904 125.744 122.820 0.035 0.000 2.324 51 A HA 0.970 5.290 4.320 -0.000 0.000 0.330 51 A C 0.816 178.439 177.584 0.065 0.000 1.165 51 A CA -0.184 51.881 52.037 0.047 0.000 0.813 51 A CB 0.415 19.427 19.000 0.021 0.000 1.197 51 A HN 2.264 nan 8.150 nan 0.000 0.484 52 G N -0.001 108.863 108.800 0.107 0.000 2.690 52 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 52 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 52 G C 0.180 175.272 174.900 0.320 0.000 1.277 52 G CA 0.002 45.176 45.100 0.124 0.000 0.799 52 G HN 0.898 nan 8.290 nan 0.000 0.613 53 Y N 0.153 120.521 120.300 0.114 0.000 2.373 53 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 53 Y C 3.035 179.027 175.900 0.153 0.000 1.129 53 Y CA 0.684 58.904 58.100 0.200 0.000 1.226 53 Y CB -0.327 38.285 38.460 0.254 0.000 1.000 53 Y HN 0.390 nan 8.280 nan 0.000 0.549 54 V N -0.149 119.903 119.914 0.231 0.000 2.215 54 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 54 V C 1.250 177.405 176.094 0.102 0.000 1.054 54 V CA 1.328 63.705 62.300 0.129 0.000 1.012 54 V CB -1.040 30.822 31.823 0.065 0.000 0.639 54 V HN 0.222 nan 8.190 nan 0.000 0.448 55 S N 0.852 116.598 115.700 0.077 0.000 2.593 55 S HA -0.094 4.376 4.470 -0.000 0.000 0.303 55 S C 0.244 174.845 174.600 0.002 0.000 1.267 55 S CA 0.247 58.463 58.200 0.027 0.000 1.047 55 S CB -0.131 63.073 63.200 0.006 0.000 0.777 55 S HN 0.636 nan 8.310 nan 0.000 0.498 56 D N 3.222 123.602 120.400 -0.033 0.000 2.422 56 D HA 0.178 4.818 4.640 -0.000 0.000 0.227 56 D C -0.998 175.207 176.300 -0.158 0.000 1.190 56 D CA -2.280 51.684 54.000 -0.059 0.000 0.905 56 D CB 0.795 41.572 40.800 -0.038 0.000 1.034 56 D HN 0.172 nan 8.370 nan 0.000 0.507 57 P HA -0.180 nan 4.420 nan 0.000 0.224 57 P C 1.219 178.221 177.300 -0.497 0.000 1.142 57 P CA 0.674 63.390 63.100 -0.639 0.000 0.778 57 P CB 0.496 31.575 31.700 -1.036 0.000 0.764 58 R N -0.225 120.119 120.500 -0.261 0.000 2.061 58 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 58 R C 2.459 178.677 176.300 -0.136 0.000 1.140 58 R CA 1.176 57.173 56.100 -0.171 0.000 0.940 58 R CB -1.254 29.003 30.300 -0.070 0.000 0.839 58 R HN 0.034 nan 8.270 nan 0.000 0.429 59 V N 2.348 122.205 119.914 -0.095 0.000 2.332 59 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 59 V C -0.999 175.069 176.094 -0.044 0.000 1.055 59 V CA 1.851 64.122 62.300 -0.048 0.000 1.038 59 V CB -0.630 31.177 31.823 -0.027 0.000 0.651 59 V HN 0.303 nan 8.190 nan 0.000 0.450 60 P HA -0.111 nan 4.420 nan 0.000 0.221 60 P C 1.950 179.219 177.300 -0.052 0.000 1.150 60 P CA 1.403 64.476 63.100 -0.046 0.000 0.800 60 P CB 0.003 31.653 31.700 -0.083 0.000 0.787 61 L N -0.711 120.409 121.223 -0.172 0.000 2.179 61 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 61 L C 3.101 179.938 176.870 -0.056 0.000 1.096 61 L CA 1.127 55.825 54.840 -0.236 0.000 0.779 61 L CB -0.691 41.003 42.059 -0.608 0.000 0.922 61 L HN 0.007 nan 8.230 nan 0.000 0.443 62 Q N -0.353 119.447 119.800 0.001 0.000 1.990 62 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 62 Q C 2.076 178.163 176.000 0.145 0.000 0.980 62 Q CA 2.299 58.172 55.803 0.117 0.000 0.832 62 Q CB 0.022 28.807 28.738 0.077 0.000 0.897 62 Q HN 0.383 nan 8.270 nan 0.000 0.427 63 T N 1.626 116.247 114.554 0.113 0.000 2.699 63 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 63 T C 1.662 176.475 174.700 0.188 0.000 1.036 63 T CA 1.556 63.752 62.100 0.159 0.000 1.147 63 T CB -0.276 68.687 68.868 0.158 0.000 0.862 63 T HN 0.324 nan 8.240 nan 0.000 0.446 64 M N 1.346 120.999 119.600 0.089 0.000 2.084 64 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 64 M C 2.422 178.791 176.300 0.116 0.000 1.072 64 M CA 1.800 57.009 55.300 -0.152 0.000 1.107 64 M CB -1.065 31.310 32.600 -0.376 0.000 1.299 64 M HN 0.177 nan 8.290 nan 0.000 0.413 65 S N 1.352 117.175 115.700 0.206 0.000 2.369 65 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 65 S C 1.535 176.356 174.600 0.368 0.000 1.043 65 S CA 1.890 60.290 58.200 0.334 0.000 1.074 65 S CB -0.619 62.819 63.200 0.397 0.000 0.962 65 S HN 0.517 nan 8.310 nan 0.000 0.433 66 N N 1.214 120.146 118.700 0.387 0.000 2.049 66 N HA -0.139 4.601 4.740 -0.000 0.000 0.198 66 N C 1.673 177.351 175.510 0.280 0.000 1.030 66 N CA 1.572 54.871 53.050 0.415 0.000 0.870 66 N CB -0.526 38.148 38.487 0.311 0.000 1.045 66 N HN 0.423 nan 8.380 nan 0.000 0.434 67 M N -0.840 118.919 119.600 0.266 0.000 2.159 67 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 67 M C 1.870 178.171 176.300 0.002 0.000 1.063 67 M CA 1.036 56.475 55.300 0.231 0.000 1.110 67 M CB -0.299 32.565 32.600 0.440 0.000 1.374 67 M HN 0.082 nan 8.290 nan 0.000 0.411 68 F N 0.799 120.628 119.950 -0.200 0.000 2.126 68 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 68 F C 1.932 177.596 175.800 -0.226 0.000 1.096 68 F CA 1.485 59.170 58.000 -0.525 0.000 1.255 68 F CB -0.423 38.450 39.000 -0.212 0.000 0.997 68 F HN -0.177 nan 8.300 nan 0.000 0.479 69 V N 0.294 120.039 119.914 -0.280 0.000 2.307 69 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 69 V C 2.630 178.580 176.094 -0.241 0.000 1.045 69 V CA 1.970 64.055 62.300 -0.357 0.000 1.024 69 V CB -1.356 30.149 31.823 -0.530 0.000 0.651 69 V HN 0.570 nan 8.190 nan 0.000 0.449 70 S N -0.343 115.297 115.700 -0.101 0.000 2.474 70 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 70 S C 1.779 176.319 174.600 -0.101 0.000 0.997 70 S CA 1.337 59.508 58.200 -0.048 0.000 0.949 70 S CB -0.598 62.633 63.200 0.052 0.000 0.766 70 S HN 0.586 nan 8.310 nan 0.000 0.517 71 F N 1.767 121.504 119.950 -0.354 0.000 2.148 71 F HA 0.318 4.845 4.527 -0.000 0.000 0.285 71 F C 1.737 177.276 175.800 -0.436 0.000 1.092 71 F CA 0.414 58.196 58.000 -0.364 0.000 1.218 71 F CB -0.544 38.134 39.000 -0.537 0.000 1.059 71 F HN 0.215 nan 8.300 nan 0.000 0.490 72 I N 0.464 120.649 120.570 -0.641 0.000 3.010 72 I HA -0.162 4.008 4.170 -0.000 0.000 0.271 72 I C 1.782 177.534 176.117 -0.608 0.000 1.293 72 I CA 1.445 62.303 61.300 -0.736 0.000 1.452 72 I CB -0.925 36.542 38.000 -0.889 0.000 1.082 72 I HN 0.279 nan 8.210 nan 0.000 0.484 73 T N -1.420 112.842 114.554 -0.486 0.000 2.939 73 T HA 0.047 4.397 4.350 -0.000 0.000 0.254 73 T C 1.001 175.495 174.700 -0.344 0.000 1.041 73 T CA 0.769 62.633 62.100 -0.393 0.000 1.142 73 T CB -0.032 68.694 68.868 -0.237 0.000 0.874 73 T HN 0.304 nan 8.240 nan 0.000 0.452 74 S N 1.693 117.200 115.700 -0.321 0.000 2.485 74 S HA 0.155 4.625 4.470 -0.000 0.000 0.312 74 S C 1.450 175.864 174.600 -0.309 0.000 1.102 74 S CA -0.212 57.834 58.200 -0.256 0.000 1.066 74 S CB 0.449 63.543 63.200 -0.176 0.000 1.102 74 S HN 0.355 nan 8.310 nan 0.000 0.519 75 T N 3.794 118.186 114.554 -0.271 0.000 2.760 75 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 75 T C 1.242 175.820 174.700 -0.204 0.000 1.047 75 T CA 2.161 64.107 62.100 -0.257 0.000 1.139 75 T CB -0.465 68.284 68.868 -0.198 0.000 0.855 75 T HN 0.717 nan 8.240 nan 0.000 0.471 76 D N 0.463 120.771 120.400 -0.155 0.000 2.104 76 D HA -0.076 4.564 4.640 -0.000 0.000 0.194 76 D C 2.443 178.690 176.300 -0.087 0.000 0.994 76 D CA 1.202 55.145 54.000 -0.095 0.000 0.830 76 D CB -0.158 40.604 40.800 -0.063 0.000 0.959 76 D HN 0.524 nan 8.370 nan 0.000 0.452 77 R N 0.338 120.752 120.500 -0.143 0.000 2.060 77 R HA -0.048 4.292 4.340 -0.000 0.000 0.225 77 R C 2.677 178.859 176.300 -0.196 0.000 1.155 77 R CA 1.504 57.537 56.100 -0.111 0.000 0.930 77 R CB -0.829 29.391 30.300 -0.134 0.000 0.829 77 R HN 0.322 nan 8.270 nan 0.000 0.433 78 C N 0.550 119.418 119.300 -0.721 0.000 2.525 78 C HA 0.236 4.696 4.460 -0.000 0.000 0.279 78 C C 2.265 177.001 174.990 -0.423 0.000 1.437 78 C CA -0.604 57.925 59.018 -0.815 0.000 1.704 78 C CB -1.554 25.402 27.740 -1.306 0.000 1.672 78 C HN 0.551 nan 8.230 nan 0.000 0.582 79 G N 1.347 110.008 108.800 -0.232 0.000 2.459 79 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 79 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 79 G C 1.250 176.084 174.900 -0.111 0.000 1.183 79 G CA 1.360 46.365 45.100 -0.158 0.000 0.776 79 G HN 0.832 nan 8.290 nan 0.000 0.552 80 Y N 1.717 121.977 120.300 -0.067 0.000 2.132 80 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 80 Y C 2.463 178.326 175.900 -0.061 0.000 1.193 80 Y CA 2.256 60.353 58.100 -0.004 0.000 1.157 80 Y CB -0.550 37.956 38.460 0.077 0.000 0.966 80 Y HN 0.349 nan 8.280 nan 0.000 0.511 81 M N -0.720 118.153 119.600 -1.212 0.000 2.628 81 M HA 0.230 4.710 4.480 -0.000 0.000 0.232 81 M C 0.591 176.488 176.300 -0.671 0.000 1.128 81 M CA 0.940 55.346 55.300 -1.490 0.000 1.040 81 M CB -0.193 30.942 32.600 -2.442 0.000 1.608 81 M HN 0.358 nan 8.290 nan 0.000 0.507 82 L N 0.120 121.147 121.223 -0.326 0.000 2.640 82 L HA 0.325 4.665 4.340 -0.000 0.000 0.230 82 L C 1.119 178.036 176.870 0.078 0.000 1.123 82 L CA -0.186 54.567 54.840 -0.146 0.000 0.900 82 L CB -0.015 41.914 42.059 -0.217 0.000 1.146 82 L HN 0.350 nan 8.230 nan 0.000 0.484 83 R N 0.684 121.266 120.500 0.137 0.000 2.560 83 R HA 0.059 4.399 4.340 -0.000 0.000 0.270 83 R C 1.419 177.860 176.300 0.235 0.000 1.074 83 R CA -0.070 56.116 56.100 0.144 0.000 1.140 83 R CB 0.881 31.258 30.300 0.128 0.000 1.073 83 R HN -0.108 nan 8.270 nan 0.000 0.527 84 K N 0.260 120.646 120.400 -0.023 0.000 2.074 84 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 84 K C 1.382 178.053 176.600 0.117 0.000 1.048 84 K CA 2.299 58.487 56.287 -0.164 0.000 0.926 84 K CB -0.009 32.289 32.500 -0.337 0.000 0.713 84 K HN 0.664 nan 8.250 nan 0.000 0.444 85 T N 0.176 114.813 114.554 0.139 0.000 2.555 85 T HA -0.239 4.111 4.350 -0.000 0.000 0.264 85 T C 1.117 175.955 174.700 0.230 0.000 1.083 85 T CA 1.769 63.970 62.100 0.169 0.000 1.179 85 T CB -0.715 68.257 68.868 0.174 0.000 0.863 85 T HN 0.540 nan 8.240 nan 0.000 0.412 86 W N 0.835 122.202 121.300 0.112 0.000 2.258 86 W HA -0.293 4.367 4.660 -0.000 0.000 0.302 86 W C 1.841 178.370 176.519 0.016 0.000 1.241 86 W CA 1.490 58.892 57.345 0.096 0.000 1.246 86 W CB -0.623 28.890 29.460 0.087 0.000 1.134 86 W HN 0.315 nan 8.180 nan 0.000 0.531 87 F N 1.489 121.414 119.950 -0.042 0.000 2.416 87 F HA -0.025 4.502 4.527 -0.000 0.000 0.296 87 F C 1.705 177.387 175.800 -0.198 0.000 1.099 87 F CA 1.635 59.472 58.000 -0.273 0.000 1.427 87 F CB -0.416 38.392 39.000 -0.321 0.000 1.079 87 F HN 0.027 nan 8.300 nan 0.000 0.536 88 N N -0.826 117.865 118.700 -0.015 0.000 2.200 88 N HA 0.161 4.901 4.740 -0.000 0.000 0.224 88 N C -0.724 174.737 175.510 -0.083 0.000 1.179 88 N CA 0.312 53.327 53.050 -0.057 0.000 0.877 88 N CB 0.217 38.777 38.487 0.122 0.000 1.072 88 N HN 0.081 nan 8.380 nan 0.000 0.519 89 S N -1.605 114.028 115.700 -0.112 0.000 2.618 89 S HA 0.431 4.901 4.470 -0.000 0.000 0.277 89 S C -0.984 173.547 174.600 -0.116 0.000 1.138 89 S CA -0.878 57.275 58.200 -0.077 0.000 0.844 89 S CB 1.805 65.000 63.200 -0.009 0.000 1.127 89 S HN -0.004 nan 8.310 nan 0.000 0.474 90 D N 1.163 121.518 120.400 -0.074 0.000 2.501 90 D HA 0.183 4.823 4.640 -0.000 0.000 0.226 90 D C -0.443 175.850 176.300 -0.011 0.000 1.198 90 D CA 0.080 54.039 54.000 -0.067 0.000 0.830 90 D CB 0.607 41.368 40.800 -0.065 0.000 1.014 90 D HN 0.550 nan 8.370 nan 0.000 0.496 91 T N 1.628 116.190 114.554 0.014 0.000 2.761 91 T HA -0.013 4.337 4.350 -0.000 0.000 0.287 91 T C 0.592 175.339 174.700 0.079 0.000 0.931 91 T CA -0.002 62.124 62.100 0.044 0.000 1.164 91 T CB 1.040 69.942 68.868 0.057 0.000 0.876 91 T HN 0.013 nan 8.240 nan 0.000 0.534 92 K N 6.184 126.622 120.400 0.064 0.000 2.453 92 K HA 0.051 4.371 4.320 -0.000 0.000 0.280 92 K C -1.709 174.941 176.600 0.084 0.000 1.045 92 K CA -1.236 55.098 56.287 0.078 0.000 1.059 92 K CB 0.343 32.870 32.500 0.044 0.000 0.901 92 K HN 0.334 nan 8.250 nan 0.000 0.475 93 P HA -0.008 nan 4.420 nan 0.000 0.274 93 P C -0.478 176.813 177.300 -0.015 0.000 1.246 93 P CA -0.310 62.833 63.100 0.073 0.000 0.795 93 P CB 0.967 32.708 31.700 0.069 0.000 1.006 94 T N 0.693 115.235 114.554 -0.021 0.000 3.273 94 T HA 0.317 4.667 4.350 -0.000 0.000 0.242 94 T C -0.292 174.367 174.700 -0.068 0.000 1.228 94 T CA -0.427 61.656 62.100 -0.028 0.000 1.173 94 T CB -1.301 67.570 68.868 0.005 0.000 1.134 94 T HN 0.114 nan 8.240 nan 0.000 0.635 95 V N 1.996 121.820 119.914 -0.150 0.000 2.427 95 V HA 0.507 4.627 4.120 -0.000 0.000 0.286 95 V C 0.695 176.748 176.094 -0.068 0.000 1.034 95 V CA -0.833 61.367 62.300 -0.167 0.000 0.893 95 V CB 1.605 33.175 31.823 -0.421 0.000 0.982 95 V HN 0.467 nan 8.190 nan 0.000 0.452 96 S N 3.340 119.034 115.700 -0.010 0.000 2.514 96 S HA 0.234 4.704 4.470 -0.000 0.000 0.179 96 S C -0.483 174.150 174.600 0.055 0.000 1.409 96 S CA -0.545 57.663 58.200 0.013 0.000 1.138 96 S CB -0.541 62.667 63.200 0.014 0.000 1.217 96 S HN 0.897 nan 8.310 nan 0.000 0.493 97 D N 1.477 121.928 120.400 0.086 0.000 2.481 97 D HA 0.196 4.836 4.640 -0.000 0.000 0.244 97 D C 0.579 176.962 176.300 0.138 0.000 1.057 97 D CA -0.396 53.703 54.000 0.164 0.000 0.848 97 D CB 2.004 42.998 40.800 0.323 0.000 1.388 97 D HN 0.266 nan 8.370 nan 0.000 0.475 98 D N 2.456 122.950 120.400 0.155 0.000 2.103 98 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 98 D C 1.719 178.098 176.300 0.131 0.000 0.997 98 D CA 1.064 55.138 54.000 0.123 0.000 0.833 98 D CB -0.123 40.767 40.800 0.149 0.000 0.961 98 D HN 0.443 nan 8.370 nan 0.000 0.447 99 F N 1.612 121.609 119.950 0.077 0.000 2.043 99 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 99 F C 2.316 178.081 175.800 -0.059 0.000 1.121 99 F CA 1.245 59.278 58.000 0.054 0.000 1.199 99 F CB -0.460 38.500 39.000 -0.067 0.000 0.968 99 F HN -0.060 nan 8.300 nan 0.000 0.478 100 I N 1.009 121.529 120.570 -0.083 0.000 2.074 100 I HA -0.392 3.778 4.170 -0.000 0.000 0.238 100 I C 2.746 178.699 176.117 -0.273 0.000 1.037 100 I CA 2.511 63.683 61.300 -0.214 0.000 1.301 100 I CB -2.038 35.975 38.000 0.023 0.000 1.016 100 I HN 0.418 nan 8.210 nan 0.000 0.400 101 T N -2.820 111.635 114.554 -0.165 0.000 2.881 101 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 101 T C 1.667 176.218 174.700 -0.249 0.000 1.068 101 T CA 1.807 63.806 62.100 -0.168 0.000 1.131 101 T CB -0.687 68.120 68.868 -0.102 0.000 0.871 101 T HN 0.285 nan 8.240 nan 0.000 0.479 102 T N -0.100 114.246 114.554 -0.347 0.000 3.009 102 T HA 0.191 4.541 4.350 -0.000 0.000 0.258 102 T C 0.955 175.184 174.700 -0.784 0.000 1.063 102 T CA 0.721 62.490 62.100 -0.552 0.000 1.139 102 T CB -0.182 68.295 68.868 -0.652 0.000 0.890 102 T HN 0.619 nan 8.240 nan 0.000 0.471 103 Y N -0.428 119.578 120.300 -0.490 0.000 2.585 103 Y HA 0.394 4.944 4.550 -0.000 0.000 0.272 103 Y C 0.430 176.049 175.900 -0.468 0.000 1.119 103 Y CA -0.725 57.079 58.100 -0.494 0.000 1.255 103 Y CB 0.837 38.881 38.460 -0.693 0.000 1.284 103 Y HN 0.007 nan 8.280 nan 0.000 0.499 104 I N 4.100 124.391 120.570 -0.465 0.000 2.301 104 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 104 I C -0.087 175.877 176.117 -0.256 0.000 1.046 104 I CA -0.082 60.947 61.300 -0.452 0.000 1.282 104 I CB -0.119 37.415 38.000 -0.777 0.000 1.409 104 I HN 0.338 nan 8.210 nan 0.000 0.484 105 R N 5.011 125.415 120.500 -0.161 0.000 2.739 105 R HA 0.445 4.785 4.340 -0.000 0.000 0.266 105 R C -3.349 172.916 176.300 -0.058 0.000 1.044 105 R CA -1.668 54.375 56.100 -0.097 0.000 0.885 105 R CB 0.523 30.760 30.300 -0.104 0.000 1.260 105 R HN 0.066 nan 8.270 nan 0.000 0.477 106 P HA -0.046 nan 4.420 nan 0.000 0.257 106 P C -0.207 177.071 177.300 -0.037 0.000 1.162 106 P CA 0.070 63.155 63.100 -0.024 0.000 0.762 106 P CB 0.395 32.082 31.700 -0.022 0.000 0.753 107 R N 2.172 122.650 120.500 -0.036 0.000 2.412 107 R HA 0.259 4.599 4.340 -0.000 0.000 0.212 107 R C 0.629 176.891 176.300 -0.063 0.000 0.878 107 R CA 0.059 56.126 56.100 -0.054 0.000 1.022 107 R CB 0.174 30.437 30.300 -0.061 0.000 1.265 107 R HN 0.410 nan 8.270 nan 0.000 0.620 108 L N 1.964 123.155 121.223 -0.053 0.000 2.375 108 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 108 L C 0.550 177.395 176.870 -0.043 0.000 1.107 108 L CA -0.275 54.530 54.840 -0.059 0.000 0.806 108 L CB 1.008 43.038 42.059 -0.050 0.000 1.146 108 L HN -0.052 nan 8.230 nan 0.000 0.447 109 Q N 2.050 121.823 119.800 -0.046 0.000 2.295 109 Q HA 0.328 4.668 4.340 -0.000 0.000 0.259 109 Q C -1.084 174.902 176.000 -0.024 0.000 0.976 109 Q CA -0.263 55.519 55.803 -0.036 0.000 0.923 109 Q CB 1.630 30.344 28.738 -0.039 0.000 1.185 109 Q HN 0.467 nan 8.270 nan 0.000 0.410 110 V N 6.103 126.005 119.914 -0.019 0.000 2.630 110 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 110 V C -1.742 174.344 176.094 -0.013 0.000 1.046 110 V CA -1.489 60.803 62.300 -0.013 0.000 0.934 110 V CB 1.775 33.591 31.823 -0.010 0.000 1.003 110 V HN 0.997 nan 8.190 nan 0.000 0.451 111 P HA 0.082 nan 4.420 nan 0.000 0.267 111 P C 1.133 178.429 177.300 -0.008 0.000 1.289 111 P CA -0.020 63.075 63.100 -0.008 0.000 0.866 111 P CB 0.444 32.139 31.700 -0.008 0.000 1.309 112 M N 1.289 120.882 119.600 -0.011 0.000 2.108 112 M HA -0.168 4.312 4.480 -0.000 0.000 0.257 112 M C 1.948 178.243 176.300 -0.008 0.000 1.071 112 M CA 1.844 57.137 55.300 -0.011 0.000 1.093 112 M CB -1.203 31.388 32.600 -0.015 0.000 1.345 112 M HN -0.181 nan 8.290 nan 0.000 0.403 113 S N 0.345 116.040 115.700 -0.009 0.000 2.359 113 S HA -0.223 4.247 4.470 -0.000 0.000 0.222 113 S C 1.821 176.428 174.600 0.012 0.000 1.038 113 S CA 1.713 59.912 58.200 -0.003 0.000 1.051 113 S CB -0.787 62.411 63.200 -0.004 0.000 0.944 113 S HN 0.604 nan 8.310 nan 0.000 0.433 114 D N 0.313 120.721 120.400 0.013 0.000 2.158 114 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 114 D C 1.855 178.157 176.300 0.003 0.000 0.995 114 D CA 1.345 55.353 54.000 0.013 0.000 0.846 114 D CB -0.082 40.721 40.800 0.006 0.000 0.941 114 D HN 0.363 nan 8.370 nan 0.000 0.456 115 T N 0.196 114.749 114.554 -0.001 0.000 2.737 115 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 115 T C 2.228 176.923 174.700 -0.007 0.000 1.038 115 T CA 0.572 62.668 62.100 -0.006 0.000 1.144 115 T CB -0.244 68.620 68.868 -0.006 0.000 0.866 115 T HN -0.025 nan 8.240 nan 0.000 0.434 116 V N 1.678 121.589 119.914 -0.004 0.000 2.332 116 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 116 V C 2.638 178.730 176.094 -0.004 0.000 1.055 116 V CA 1.764 64.061 62.300 -0.004 0.000 1.038 116 V CB -0.644 31.178 31.823 -0.001 0.000 0.651 116 V HN 0.374 nan 8.190 nan 0.000 0.450 117 R N -0.158 120.346 120.500 0.007 0.000 2.083 117 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 117 R C 2.417 178.703 176.300 -0.024 0.000 1.137 117 R CA 2.169 58.275 56.100 0.009 0.000 0.951 117 R CB -0.215 30.104 30.300 0.032 0.000 0.851 117 R HN 0.642 nan 8.270 nan 0.000 0.434 118 Q N 0.183 119.965 119.800 -0.029 0.000 2.079 118 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 118 Q C 2.309 178.265 176.000 -0.074 0.000 0.974 118 Q CA 1.263 57.035 55.803 -0.053 0.000 0.840 118 Q CB -0.104 28.614 28.738 -0.033 0.000 0.898 118 Q HN 0.386 nan 8.270 nan 0.000 0.430 119 L N 1.118 122.311 121.223 -0.049 0.000 2.187 119 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 119 L C 2.212 179.041 176.870 -0.069 0.000 1.100 119 L CA 0.767 55.576 54.840 -0.051 0.000 0.765 119 L CB -0.393 41.649 42.059 -0.028 0.000 0.904 119 L HN 0.335 nan 8.230 nan 0.000 0.437 120 N N 0.840 119.501 118.700 -0.064 0.000 2.106 120 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 120 N C 1.433 176.870 175.510 -0.122 0.000 1.029 120 N CA 1.697 54.709 53.050 -0.064 0.000 0.848 120 N CB -0.285 38.183 38.487 -0.032 0.000 1.007 120 N HN 0.304 nan 8.380 nan 0.000 0.423 121 N N -0.691 117.895 118.700 -0.190 0.000 2.182 121 N HA -0.180 4.560 4.740 -0.000 0.000 0.192 121 N C 0.574 175.786 175.510 -0.495 0.000 1.007 121 N CA 0.852 53.681 53.050 -0.369 0.000 0.873 121 N CB -0.112 38.078 38.487 -0.496 0.000 0.998 121 N HN 0.180 nan 8.380 nan 0.000 0.436 122 L N 0.376 121.399 121.223 -0.334 0.000 2.592 122 L HA 0.156 4.496 4.340 -0.000 0.000 0.227 122 L C 0.413 177.233 176.870 -0.082 0.000 1.127 122 L CA 0.367 55.084 54.840 -0.205 0.000 0.884 122 L CB 0.040 42.028 42.059 -0.118 0.000 1.065 122 L HN -0.108 nan 8.230 nan 0.000 0.457 123 S N -0.357 115.298 115.700 -0.076 0.000 2.572 123 S HA 0.144 4.614 4.470 -0.000 0.000 0.279 123 S C 1.555 176.151 174.600 -0.007 0.000 1.341 123 S CA -0.389 57.793 58.200 -0.030 0.000 1.043 123 S CB 0.879 64.065 63.200 -0.023 0.000 0.887 123 S HN 0.176 nan 8.310 nan 0.000 0.516 124 L N 1.675 122.901 121.223 0.004 0.000 1.994 124 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 124 L C 0.927 177.808 176.870 0.019 0.000 1.071 124 L CA 1.437 56.286 54.840 0.015 0.000 0.745 124 L CB -0.141 41.926 42.059 0.013 0.000 0.892 124 L HN 0.635 nan 8.230 nan 0.000 0.431 125 Q N -0.310 119.499 119.800 0.017 0.000 2.798 125 Q HA 0.298 4.638 4.340 -0.000 0.000 0.250 125 Q C -2.205 173.810 176.000 0.025 0.000 1.006 125 Q CA -1.605 54.212 55.803 0.022 0.000 0.759 125 Q CB 1.258 30.008 28.738 0.020 0.000 1.201 125 Q HN 0.121 nan 8.270 nan 0.000 0.486 126 P HA -0.020 nan 4.420 nan 0.000 0.272 126 P C -0.237 177.092 177.300 0.049 0.000 1.254 126 P CA -0.406 62.715 63.100 0.035 0.000 0.795 126 P CB 0.646 32.370 31.700 0.040 0.000 1.022 127 S N -0.237 115.498 115.700 0.058 0.000 2.516 127 S HA 0.243 4.713 4.470 -0.000 0.000 0.282 127 S C 1.414 176.065 174.600 0.084 0.000 1.286 127 S CA 0.047 58.288 58.200 0.069 0.000 1.066 127 S CB -0.226 63.024 63.200 0.084 0.000 0.884 127 S HN 0.456 nan 8.310 nan 0.000 0.491 128 A N 5.780 128.646 122.820 0.076 0.000 1.902 128 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 128 A C 0.940 178.588 177.584 0.107 0.000 1.181 128 A CA 1.208 53.295 52.037 0.082 0.000 0.623 128 A CB -0.075 18.963 19.000 0.064 0.000 0.818 128 A HN 0.782 nan 8.150 nan 0.000 0.443 129 K N 0.749 121.218 120.400 0.114 0.000 2.579 129 K HA 0.297 4.617 4.320 -0.000 0.000 0.225 129 K C -2.876 173.839 176.600 0.192 0.000 0.992 129 K CA -1.725 54.654 56.287 0.152 0.000 1.018 129 K CB 1.655 34.224 32.500 0.114 0.000 1.249 129 K HN 0.301 nan 8.250 nan 0.000 0.489 130 P HA 0.055 nan 4.420 nan 0.000 0.272 130 P C -0.527 176.944 177.300 0.285 0.000 1.230 130 P CA -0.265 62.965 63.100 0.216 0.000 0.788 130 P CB 1.005 32.813 31.700 0.181 0.000 0.949 131 K N 0.859 121.393 120.400 0.223 0.000 2.230 131 K HA 0.116 4.436 4.320 -0.000 0.000 0.253 131 K C 1.584 178.226 176.600 0.070 0.000 1.008 131 K CA -0.456 55.951 56.287 0.200 0.000 0.910 131 K CB 0.229 32.837 32.500 0.179 0.000 0.994 131 K HN 0.390 nan 8.250 nan 0.000 0.495 132 L N 0.944 122.093 121.223 -0.123 0.000 2.201 132 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 132 L C 2.232 179.132 176.870 0.050 0.000 1.105 132 L CA 0.916 55.638 54.840 -0.197 0.000 0.775 132 L CB -0.406 41.443 42.059 -0.350 0.000 0.913 132 L HN 0.631 nan 8.230 nan 0.000 0.440 133 Y N 1.424 121.712 120.300 -0.019 0.000 2.014 133 Y HA -0.403 4.147 4.550 -0.000 0.000 0.272 133 Y C 2.641 178.525 175.900 -0.025 0.000 1.164 133 Y CA 2.233 60.335 58.100 0.004 0.000 1.114 133 Y CB -0.506 37.958 38.460 0.007 0.000 0.961 133 Y HN 0.216 nan 8.280 nan 0.000 0.489 134 E N -0.252 119.906 120.200 -0.070 0.000 2.086 134 E HA -0.354 3.996 4.350 -0.000 0.000 0.205 134 E C 2.280 178.677 176.600 -0.339 0.000 1.027 134 E CA 2.204 58.477 56.400 -0.211 0.000 0.830 134 E CB -0.194 29.474 29.700 -0.053 0.000 0.751 134 E HN 0.503 nan 8.360 nan 0.000 0.456 135 R N 0.073 120.427 120.500 -0.243 0.000 2.081 135 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 135 R C 2.649 178.666 176.300 -0.473 0.000 1.131 135 R CA 1.831 57.676 56.100 -0.426 0.000 0.960 135 R CB -0.255 30.007 30.300 -0.064 0.000 0.856 135 R HN 0.311 nan 8.270 nan 0.000 0.436 136 Q N 0.250 119.941 119.800 -0.181 0.000 2.045 136 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 136 Q C 1.833 177.655 176.000 -0.297 0.000 0.991 136 Q CA 1.543 57.289 55.803 -0.096 0.000 0.851 136 Q CB -0.171 28.588 28.738 0.034 0.000 0.911 136 Q HN 0.363 nan 8.270 nan 0.000 0.418 137 N N 0.284 118.725 118.700 -0.433 0.000 2.069 137 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 137 N C 1.705 176.982 175.510 -0.387 0.000 1.031 137 N CA 1.370 54.164 53.050 -0.427 0.000 0.852 137 N CB -0.353 37.832 38.487 -0.503 0.000 1.018 137 N HN 0.249 nan 8.380 nan 0.000 0.423 138 A N 1.735 124.264 122.820 -0.486 0.000 1.851 138 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 138 A C 2.342 179.666 177.584 -0.433 0.000 1.195 138 A CA 1.200 52.920 52.037 -0.528 0.000 0.622 138 A CB -0.848 17.541 19.000 -1.019 0.000 0.831 138 A HN 0.226 nan 8.150 nan 0.000 0.444 139 I N -1.239 119.006 120.570 -0.542 0.000 2.361 139 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 139 I C 2.662 178.676 176.117 -0.172 0.000 1.133 139 I CA 1.755 62.794 61.300 -0.434 0.000 1.413 139 I CB -0.154 37.400 38.000 -0.742 0.000 1.073 139 I HN 0.518 nan 8.210 nan 0.000 0.424 140 M N 0.093 119.553 119.600 -0.233 0.000 2.557 140 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 140 M C 1.754 177.821 176.300 -0.389 0.000 1.168 140 M CA 1.480 56.560 55.300 -0.367 0.000 1.194 140 M CB 0.268 32.571 32.600 -0.495 0.000 1.311 140 M HN -0.111 nan 8.290 nan 0.000 0.489 141 K N 0.039 120.255 120.400 -0.306 0.000 2.374 141 K HA 0.201 4.521 4.320 -0.000 0.000 0.196 141 K C 0.528 177.029 176.600 -0.165 0.000 1.023 141 K CA 0.551 56.695 56.287 -0.238 0.000 1.103 141 K CB 0.426 32.791 32.500 -0.224 0.000 0.848 141 K HN 0.629 nan 8.250 nan 0.000 0.528 142 G N 2.494 111.196 108.800 -0.164 0.000 2.273 142 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 142 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 142 G C 0.045 174.885 174.900 -0.100 0.000 1.047 142 G CA 0.122 45.156 45.100 -0.110 0.000 0.869 142 G HN 0.153 nan 8.290 nan 0.000 0.502 143 L N -0.583 120.552 121.223 -0.146 0.000 2.479 143 L HA 0.395 4.735 4.340 -0.000 0.000 0.248 143 L C 0.870 177.686 176.870 -0.089 0.000 1.205 143 L CA -0.666 54.104 54.840 -0.118 0.000 0.817 143 L CB 0.292 42.257 42.059 -0.157 0.000 1.162 143 L HN 0.104 nan 8.230 nan 0.000 0.486 144 D N 0.371 120.743 120.400 -0.047 0.000 2.312 144 D HA 0.400 5.040 4.640 -0.000 0.000 0.248 144 D C -0.551 175.739 176.300 -0.017 0.000 1.086 144 D CA -0.108 53.897 54.000 0.009 0.000 0.948 144 D CB 2.075 42.913 40.800 0.063 0.000 1.162 144 D HN 0.220 nan 8.370 nan 0.000 0.446 145 I N 0.916 121.515 120.570 0.048 0.000 2.910 145 I HA 0.328 4.498 4.170 -0.000 0.000 0.310 145 I C -2.416 173.750 176.117 0.082 0.000 1.043 145 I CA -2.685 58.642 61.300 0.045 0.000 1.053 145 I CB 2.361 40.428 38.000 0.111 0.000 1.242 145 I HN 0.038 nan 8.210 nan 0.000 0.452 146 P HA -0.002 nan 4.420 nan 0.000 0.267 146 P C -0.436 176.960 177.300 0.160 0.000 1.200 146 P CA 0.204 63.301 63.100 -0.004 0.000 0.772 146 P CB 0.224 31.927 31.700 0.005 0.000 0.855 147 Y N -0.156 120.167 120.300 0.039 0.000 2.263 147 Y HA -0.052 4.498 4.550 -0.000 0.000 0.292 147 Y C 2.109 178.029 175.900 0.033 0.000 1.130 147 Y CA 1.058 59.179 58.100 0.034 0.000 1.179 147 Y CB -1.296 37.177 38.460 0.023 0.000 0.998 147 Y HN 0.233 nan 8.280 nan 0.000 0.532 148 S N -0.289 115.514 115.700 0.172 0.000 2.634 148 S HA 0.007 4.477 4.470 -0.000 0.000 0.221 148 S C 0.526 175.182 174.600 0.093 0.000 0.952 148 S CA -0.318 57.948 58.200 0.109 0.000 0.930 148 S CB -0.380 62.865 63.200 0.074 0.000 0.780 148 S HN 0.362 nan 8.310 nan 0.000 0.498 149 E N 3.503 123.770 120.200 0.111 0.000 2.324 149 E HA 0.103 4.453 4.350 -0.000 0.000 0.271 149 E C -2.333 174.338 176.600 0.117 0.000 1.028 149 E CA -1.945 54.523 56.400 0.113 0.000 0.890 149 E CB 0.662 30.442 29.700 0.133 0.000 1.004 149 E HN 0.119 nan 8.360 nan 0.000 0.431 150 P HA 0.195 nan 4.420 nan 0.000 0.274 150 P C -0.916 176.458 177.300 0.122 0.000 1.237 150 P CA -0.337 62.830 63.100 0.111 0.000 0.793 150 P CB 1.099 32.857 31.700 0.097 0.000 0.977 151 I N -0.200 120.443 120.570 0.123 0.000 2.913 151 I HA 0.257 4.427 4.170 -0.000 0.000 0.302 151 I C -0.924 175.231 176.117 0.062 0.000 1.246 151 I CA -0.950 60.401 61.300 0.086 0.000 1.010 151 I CB 2.405 40.433 38.000 0.047 0.000 1.259 151 I HN 0.248 nan 8.210 nan 0.000 0.434 152 E N 7.690 127.899 120.200 0.015 0.000 2.014 152 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 152 E C -2.017 174.542 176.600 -0.069 0.000 0.997 152 E CA -1.503 54.877 56.400 -0.034 0.000 0.804 152 E CB 0.801 30.500 29.700 -0.002 0.000 1.090 152 E HN 0.414 nan 8.360 nan 0.000 0.401 153 P HA -0.372 nan 4.420 nan 0.000 0.224 153 P C 1.506 178.821 177.300 0.025 0.000 1.153 153 P CA 1.775 64.846 63.100 -0.048 0.000 0.947 153 P CB -0.107 31.439 31.700 -0.257 0.000 0.790 154 C N -1.316 117.972 119.300 -0.020 0.000 2.403 154 C HA -0.126 4.334 4.460 -0.000 0.000 0.282 154 C C 2.278 177.271 174.990 0.004 0.000 1.297 154 C CA 0.614 59.625 59.018 -0.012 0.000 1.785 154 C CB -1.914 25.870 27.740 0.073 0.000 1.963 154 C HN 0.203 nan 8.230 nan 0.000 0.507 155 K N 0.200 120.603 120.400 0.006 0.000 2.148 155 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 155 K C 1.796 178.414 176.600 0.030 0.000 1.050 155 K CA 0.964 57.267 56.287 0.026 0.000 0.942 155 K CB -0.251 32.267 32.500 0.031 0.000 0.724 155 K HN 0.395 nan 8.250 nan 0.000 0.446 156 L N 0.400 121.592 121.223 -0.051 0.000 2.376 156 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 156 L C 0.604 177.541 176.870 0.111 0.000 1.133 156 L CA 0.640 55.474 54.840 -0.009 0.000 0.816 156 L CB -0.381 41.712 42.059 0.057 0.000 0.933 156 L HN 0.007 nan 8.230 nan 0.000 0.449 157 F N 1.378 121.148 119.950 -0.299 0.000 2.563 157 F HA 0.253 4.780 4.527 -0.000 0.000 0.363 157 F C 0.644 176.217 175.800 -0.377 0.000 1.123 157 F CA 0.233 57.755 58.000 -0.798 0.000 1.307 157 F CB 0.161 38.604 39.000 -0.930 0.000 1.115 157 F HN -0.058 nan 8.300 nan 0.000 0.592 158 R N 2.862 122.440 120.500 -1.537 0.000 2.710 158 R HA 0.282 4.622 4.340 -0.000 0.000 0.270 158 R C -1.086 174.543 176.300 -1.118 0.000 1.021 158 R CA -1.039 54.554 56.100 -0.846 0.000 0.889 158 R CB 1.692 31.833 30.300 -0.266 0.000 1.243 158 R HN 0.613 nan 8.270 nan 0.000 0.464 159 S N 0.807 116.223 115.700 -0.474 0.000 2.562 159 S HA 0.330 4.800 4.470 -0.000 0.000 0.281 159 S C 0.590 175.148 174.600 -0.070 0.000 1.333 159 S CA -0.655 57.427 58.200 -0.196 0.000 1.052 159 S CB 0.743 63.931 63.200 -0.020 0.000 0.884 159 S HN 0.414 nan 8.310 nan 0.000 0.506 160 V N -0.575 119.368 119.914 0.049 0.000 3.145 160 V HA 0.887 5.007 4.120 -0.000 0.000 0.311 160 V C 1.123 177.270 176.094 0.088 0.000 1.238 160 V CA -0.483 61.867 62.300 0.083 0.000 1.066 160 V CB 0.680 32.586 31.823 0.138 0.000 1.144 160 V HN 0.787 nan 8.190 nan 0.000 0.465 161 A N 0.535 123.397 122.820 0.071 0.000 1.849 161 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 161 A C 2.061 179.694 177.584 0.082 0.000 1.202 161 A CA 2.824 54.899 52.037 0.062 0.000 0.629 161 A CB -1.659 17.368 19.000 0.045 0.000 0.834 161 A HN 1.669 nan 8.150 nan 0.000 0.447 162 G N -0.708 108.152 108.800 0.101 0.000 2.637 162 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.215 162 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.215 162 G C 0.750 175.737 174.900 0.145 0.000 1.289 162 G CA 0.688 45.859 45.100 0.118 0.000 0.816 162 G HN 0.659 nan 8.290 nan 0.000 0.580 163 Q N 0.240 120.164 119.800 0.207 0.000 2.286 163 Q HA 0.348 4.688 4.340 -0.000 0.000 0.257 163 Q C 0.694 176.838 176.000 0.241 0.000 0.941 163 Q CA -0.070 55.876 55.803 0.238 0.000 0.912 163 Q CB 1.326 30.268 28.738 0.340 0.000 1.192 163 Q HN 0.227 nan 8.270 nan 0.000 0.410 164 T N 0.492 115.156 114.554 0.183 0.000 3.081 164 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 164 T C 0.406 175.235 174.700 0.215 0.000 1.100 164 T CA 0.350 62.544 62.100 0.157 0.000 1.038 164 T CB 0.311 69.237 68.868 0.097 0.000 0.962 164 T HN 0.743 nan 8.240 nan 0.000 0.516 165 G N 0.338 109.297 108.800 0.266 0.000 2.576 165 G HA2 0.425 4.385 3.960 -0.000 0.000 0.290 165 G HA3 0.425 4.385 3.960 -0.000 0.000 0.290 165 G C -0.062 174.786 174.900 -0.087 0.000 1.442 165 G CA -0.567 44.675 45.100 0.237 0.000 0.792 165 G HN -0.046 nan 8.290 nan 0.000 0.491 166 N N -0.799 117.553 118.700 -0.580 0.000 2.513 166 N HA 0.070 4.810 4.740 -0.000 0.000 0.196 166 N C 2.041 177.444 175.510 -0.178 0.000 1.041 166 N CA 0.323 52.891 53.050 -0.803 0.000 0.916 166 N CB 0.064 37.661 38.487 -1.484 0.000 1.172 166 N HN 0.323 nan 8.380 nan 0.000 0.444 167 I N 1.809 122.283 120.570 -0.160 0.000 2.142 167 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 167 I C -0.706 175.415 176.117 0.007 0.000 1.078 167 I CA 1.331 62.582 61.300 -0.081 0.000 1.343 167 I CB -2.201 35.661 38.000 -0.229 0.000 1.046 167 I HN 0.132 nan 8.210 nan 0.000 0.405 168 P HA -0.193 nan 4.420 nan 0.000 0.218 168 P C 1.896 179.203 177.300 0.011 0.000 1.150 168 P CA 1.331 64.427 63.100 -0.008 0.000 0.841 168 P CB -0.127 31.571 31.700 -0.003 0.000 0.784 169 M N -2.231 117.374 119.600 0.009 0.000 2.539 169 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 169 M C 1.976 178.257 176.300 -0.032 0.000 1.069 169 M CA 1.297 56.576 55.300 -0.034 0.000 1.081 169 M CB -1.165 31.376 32.600 -0.098 0.000 1.412 169 M HN 0.131 nan 8.290 nan 0.000 0.482 170 M N -0.344 119.332 119.600 0.127 0.000 2.067 170 M HA -0.119 4.361 4.480 -0.000 0.000 0.260 170 M C 1.985 178.323 176.300 0.064 0.000 1.069 170 M CA 2.102 57.537 55.300 0.225 0.000 1.117 170 M CB -0.597 32.169 32.600 0.278 0.000 1.334 170 M HN 0.288 nan 8.290 nan 0.000 0.407 171 G N 0.837 109.653 108.800 0.028 0.000 2.462 171 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 171 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 171 G C 1.304 176.192 174.900 -0.019 0.000 1.121 171 G CA 0.846 45.946 45.100 -0.000 0.000 0.758 171 G HN 0.447 nan 8.290 nan 0.000 0.559 172 I N 0.560 121.109 120.570 -0.034 0.000 2.339 172 I HA 0.048 4.218 4.170 -0.000 0.000 0.245 172 I C 2.691 178.751 176.117 -0.095 0.000 1.096 172 I CA 0.562 61.829 61.300 -0.055 0.000 1.408 172 I CB -1.125 36.843 38.000 -0.054 0.000 1.092 172 I HN 0.143 nan 8.210 nan 0.000 0.423 173 L N 0.840 121.974 121.223 -0.148 0.000 2.450 173 L HA -0.142 4.198 4.340 -0.000 0.000 0.224 173 L C 2.610 179.401 176.870 -0.131 0.000 1.149 173 L CA 0.796 55.498 54.840 -0.230 0.000 0.816 173 L CB -0.657 41.184 42.059 -0.365 0.000 0.932 173 L HN 0.184 nan 8.230 nan 0.000 0.449 174 A N -0.775 122.005 122.820 -0.067 0.000 1.878 174 A HA -0.003 4.317 4.320 -0.000 0.000 0.213 174 A C 1.309 178.870 177.584 -0.038 0.000 1.192 174 A CA 0.587 52.602 52.037 -0.037 0.000 0.619 174 A CB -0.474 18.517 19.000 -0.014 0.000 0.837 174 A HN 0.297 nan 8.150 nan 0.000 0.446 175 T N 3.260 117.790 114.554 -0.039 0.000 2.829 175 T HA 0.346 4.696 4.350 -0.000 0.000 0.293 175 T C -2.415 172.264 174.700 -0.034 0.000 0.970 175 T CA -0.546 61.536 62.100 -0.031 0.000 1.168 175 T CB 0.412 69.265 68.868 -0.026 0.000 0.911 175 T HN 0.150 nan 8.240 nan 0.000 0.535 176 P HA 0.120 nan 4.420 nan 0.000 0.266 176 P C -2.066 175.222 177.300 -0.020 0.000 1.193 176 P CA -1.000 62.086 63.100 -0.023 0.000 0.770 176 P CB -0.169 31.523 31.700 -0.014 0.000 0.836 177 P HA 0.116 nan 4.420 nan 0.000 0.277 177 P C -0.191 177.108 177.300 -0.001 0.000 1.240 177 P CA -0.181 62.913 63.100 -0.010 0.000 0.798 177 P CB 1.188 32.883 31.700 -0.008 0.000 0.979 178 A N 2.361 125.182 122.820 0.003 0.000 1.903 178 A HA 0.453 4.773 4.320 -0.000 0.000 0.213 178 A C 1.067 178.658 177.584 0.012 0.000 1.185 178 A CA 1.559 53.600 52.037 0.007 0.000 0.628 178 A CB -0.604 18.400 19.000 0.008 0.000 0.830 178 A HN 0.812 nan 8.150 nan 0.000 0.446 179 A N -1.865 120.964 122.820 0.016 0.000 2.557 179 A HA 0.555 4.875 4.320 -0.000 0.000 0.292 179 A C -0.619 176.983 177.584 0.030 0.000 1.139 179 A CA -0.345 51.706 52.037 0.023 0.000 0.665 179 A CB 0.012 19.027 19.000 0.024 0.000 1.285 179 A HN 0.259 nan 8.150 nan 0.000 0.433 180 Q N 0.385 120.209 119.800 0.040 0.000 2.283 180 Q HA 0.159 4.499 4.340 -0.000 0.000 0.301 180 Q C -0.326 175.705 176.000 0.052 0.000 1.063 180 Q CA 0.879 56.713 55.803 0.051 0.000 0.952 180 Q CB 0.243 29.021 28.738 0.067 0.000 1.166 180 Q HN 0.596 nan 8.270 nan 0.000 0.381 181 Q N 2.299 122.134 119.800 0.057 0.000 2.306 181 Q HA 0.297 4.637 4.340 -0.000 0.000 0.269 181 Q C -0.812 175.239 176.000 0.085 0.000 1.053 181 Q CA -0.915 54.926 55.803 0.063 0.000 0.879 181 Q CB 1.456 30.228 28.738 0.056 0.000 1.344 181 Q HN 0.613 nan 8.270 nan 0.000 0.464 182 Q N 0.867 120.720 119.800 0.089 0.000 2.421 182 Q HA 0.167 4.507 4.340 -0.000 0.000 0.255 182 Q C -2.129 173.963 176.000 0.154 0.000 1.013 182 Q CA -1.365 54.499 55.803 0.101 0.000 0.895 182 Q CB -0.339 28.454 28.738 0.091 0.000 1.271 182 Q HN 0.279 nan 8.270 nan 0.000 0.460 183 P HA -0.050 nan 4.420 nan 0.000 0.270 183 P C -1.168 176.312 177.300 0.300 0.000 1.227 183 P CA 0.194 63.432 63.100 0.231 0.000 0.788 183 P CB 0.314 32.168 31.700 0.256 0.000 0.926 184 F N -0.578 119.493 119.950 0.202 0.000 2.551 184 F HA 0.746 5.273 4.527 -0.000 0.000 0.316 184 F C -1.492 174.472 175.800 0.274 0.000 1.089 184 F CA -1.238 56.862 58.000 0.166 0.000 0.915 184 F CB 1.321 40.324 39.000 0.006 0.000 1.186 184 F HN 0.078 nan 8.300 nan 0.000 0.456 185 F N 4.465 124.532 119.950 0.196 0.000 2.577 185 F HA 0.651 5.178 4.527 -0.000 0.000 0.344 185 F C -1.031 174.981 175.800 0.353 0.000 1.145 185 F CA -0.847 57.272 58.000 0.198 0.000 0.996 185 F CB 1.600 40.731 39.000 0.219 0.000 1.248 185 F HN 0.655 nan 8.300 nan 0.000 0.447 186 V N 1.657 121.647 119.914 0.126 0.000 3.074 186 V HA 1.030 5.150 4.120 -0.000 0.000 0.314 186 V C -0.807 175.388 176.094 0.167 0.000 1.117 186 V CA -1.014 61.342 62.300 0.094 0.000 1.014 186 V CB 1.375 32.996 31.823 -0.336 0.000 1.057 186 V HN 0.878 nan 8.190 nan 0.000 0.438 187 A N 1.079 124.034 122.820 0.225 0.000 2.414 187 A HA 0.853 5.173 4.320 -0.000 0.000 0.306 187 A C -0.516 177.159 177.584 0.153 0.000 1.054 187 A CA -0.651 51.488 52.037 0.170 0.000 0.724 187 A CB 1.683 20.785 19.000 0.170 0.000 1.267 187 A HN 0.961 nan 8.150 nan 0.000 0.418 188 E N 0.096 120.226 120.200 -0.116 0.000 2.819 188 E HA 0.410 4.760 4.350 -0.000 0.000 0.241 188 E C 0.744 177.151 176.600 -0.321 0.000 0.987 188 E CA -0.910 55.169 56.400 -0.536 0.000 1.024 188 E CB 0.860 30.112 29.700 -0.746 0.000 1.448 188 E HN 0.615 nan 8.360 nan 0.000 0.484 189 R N 0.354 120.633 120.500 -0.368 0.000 2.062 189 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 189 R C 1.982 178.167 176.300 -0.191 0.000 1.125 189 R CA 1.017 57.017 56.100 -0.167 0.000 0.966 189 R CB 0.065 30.308 30.300 -0.095 0.000 0.861 189 R HN 0.216 nan 8.270 nan 0.000 0.433 190 R N 0.540 120.917 120.500 -0.204 0.000 2.432 190 R HA 0.090 4.430 4.340 -0.000 0.000 0.260 190 R C -0.481 175.722 176.300 -0.163 0.000 0.935 190 R CA -0.025 55.994 56.100 -0.134 0.000 1.080 190 R CB 0.444 30.725 30.300 -0.033 0.000 1.155 190 R HN 0.087 nan 8.270 nan 0.000 0.531 191 R N -1.277 119.045 120.500 -0.297 0.000 2.716 191 R HA 0.344 4.684 4.340 -0.000 0.000 0.271 191 R C -1.635 174.511 176.300 -0.256 0.000 1.028 191 R CA -0.918 55.049 56.100 -0.221 0.000 0.883 191 R CB 0.693 30.976 30.300 -0.028 0.000 1.250 191 R HN -0.107 nan 8.270 nan 0.000 0.465 192 I N 1.370 121.890 120.570 -0.083 0.000 2.460 192 I HA 0.472 4.642 4.170 -0.000 0.000 0.298 192 I C -1.102 174.942 176.117 -0.121 0.000 0.989 192 I CA -1.034 60.237 61.300 -0.048 0.000 1.173 192 I CB 1.762 39.847 38.000 0.142 0.000 1.338 192 I HN 0.498 nan 8.210 nan 0.000 0.456 193 L N 7.623 128.714 121.223 -0.220 0.000 2.410 193 L HA 0.606 4.946 4.340 -0.000 0.000 0.270 193 L C -1.288 175.283 176.870 -0.498 0.000 0.983 193 L CA -0.719 53.951 54.840 -0.282 0.000 0.822 193 L CB 1.622 43.639 42.059 -0.070 0.000 1.285 193 L HN 0.565 nan 8.230 nan 0.000 0.409 194 F N 0.669 120.152 119.950 -0.777 0.000 2.645 194 F HA 0.998 5.525 4.527 -0.000 0.000 0.310 194 F C -0.183 174.926 175.800 -1.151 0.000 1.102 194 F CA -0.600 56.744 58.000 -1.093 0.000 0.952 194 F CB 2.022 40.504 39.000 -0.863 0.000 1.326 194 F HN 0.579 nan 8.300 nan 0.000 0.456 195 G N 1.116 109.152 108.800 -1.273 0.000 2.324 195 G HA2 0.461 4.421 3.960 -0.000 0.000 0.293 195 G HA3 0.461 4.421 3.960 -0.000 0.000 0.293 195 G C -2.393 172.229 174.900 -0.464 0.000 1.297 195 G CA -0.812 43.733 45.100 -0.924 0.000 0.853 195 G HN 0.889 nan 8.290 nan 0.000 0.535 196 I N 0.301 120.521 120.570 -0.584 0.000 2.545 196 I HA 0.565 4.735 4.170 -0.000 0.000 0.292 196 I C -0.129 175.919 176.117 -0.115 0.000 1.040 196 I CA -1.022 60.190 61.300 -0.146 0.000 1.068 196 I CB 2.495 40.439 38.000 -0.093 0.000 1.251 196 I HN 0.611 nan 8.210 nan 0.000 0.424 197 R N 3.503 124.028 120.500 0.042 0.000 2.562 197 R HA 0.848 5.188 4.340 -0.000 0.000 0.298 197 R C -0.858 175.456 176.300 0.022 0.000 0.961 197 R CA -0.776 55.331 56.100 0.012 0.000 0.881 197 R CB 2.222 32.504 30.300 -0.029 0.000 1.159 197 R HN 0.587 nan 8.270 nan 0.000 0.450 198 S N 0.221 115.936 115.700 0.024 0.000 2.607 198 S HA 0.199 4.669 4.470 -0.000 0.000 0.273 198 S C -0.286 174.327 174.600 0.021 0.000 1.148 198 S CA -0.833 57.385 58.200 0.030 0.000 0.833 198 S CB 1.365 64.594 63.200 0.048 0.000 1.130 198 S HN 0.847 nan 8.310 nan 0.000 0.470 199 N N 1.464 120.176 118.700 0.020 0.000 2.422 199 N HA 0.269 5.009 4.740 -0.000 0.000 0.181 199 N C 0.109 175.629 175.510 0.018 0.000 1.080 199 N CA 0.380 53.439 53.050 0.014 0.000 0.893 199 N CB -0.054 38.439 38.487 0.011 0.000 0.973 199 N HN 0.612 nan 8.380 nan 0.000 0.456 200 A N -0.088 122.747 122.820 0.026 0.000 2.423 200 A HA 0.825 5.145 4.320 -0.000 0.000 0.304 200 A C -0.254 177.352 177.584 0.036 0.000 1.104 200 A CA -0.527 51.526 52.037 0.027 0.000 0.757 200 A CB 1.057 20.074 19.000 0.028 0.000 1.313 200 A HN 0.343 nan 8.150 nan 0.000 0.423 201 A N 0.787 123.626 122.820 0.032 0.000 2.583 201 A HA 0.428 4.748 4.320 -0.000 0.000 0.231 201 A C -0.067 177.551 177.584 0.056 0.000 1.065 201 A CA 0.472 52.531 52.037 0.036 0.000 0.760 201 A CB -0.268 18.747 19.000 0.025 0.000 1.001 201 A HN 0.667 nan 8.150 nan 0.000 0.509 202 I N 3.434 124.039 120.570 0.060 0.000 2.382 202 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 202 I C -2.071 174.092 176.117 0.077 0.000 1.002 202 I CA -2.439 58.911 61.300 0.082 0.000 1.135 202 I CB 1.208 39.245 38.000 0.062 0.000 1.288 202 I HN 0.482 nan 8.210 nan 0.000 0.448 203 P HA 0.066 nan 4.420 nan 0.000 0.267 203 P C -0.218 177.186 177.300 0.174 0.000 1.200 203 P CA -0.215 62.965 63.100 0.134 0.000 0.772 203 P CB 0.921 32.703 31.700 0.137 0.000 0.855 204 A N 1.916 124.799 122.820 0.106 0.000 2.448 204 A HA 0.541 4.861 4.320 -0.000 0.000 0.239 204 A C 0.895 178.585 177.584 0.177 0.000 1.080 204 A CA 0.997 53.099 52.037 0.108 0.000 0.779 204 A CB -0.881 18.151 19.000 0.054 0.000 1.026 204 A HN 0.935 nan 8.150 nan 0.000 0.499 205 G N -1.353 107.568 108.800 0.202 0.000 2.320 205 G HA2 0.572 4.532 3.960 -0.000 0.000 0.274 205 G HA3 0.572 4.532 3.960 -0.000 0.000 0.274 205 G C -0.493 174.497 174.900 0.150 0.000 1.324 205 G CA -0.073 45.105 45.100 0.130 0.000 0.957 205 G HN 2.061 nan 8.290 nan 0.000 0.481 206 A N -0.532 122.249 122.820 -0.065 0.000 2.276 206 A HA 0.842 5.162 4.320 -0.000 0.000 0.316 206 A C -1.292 176.098 177.584 -0.323 0.000 1.229 206 A CA -0.308 51.700 52.037 -0.047 0.000 0.851 206 A CB 0.505 19.474 19.000 -0.052 0.000 1.165 206 A HN 1.063 nan 8.150 nan 0.000 0.513 207 Y N 0.256 120.592 120.300 0.059 0.000 2.462 207 Y HA 0.559 5.109 4.550 -0.000 0.000 0.346 207 Y C 0.227 176.096 175.900 -0.052 0.000 0.976 207 Y CA -0.482 57.607 58.100 -0.017 0.000 1.044 207 Y CB 2.216 40.696 38.460 0.032 0.000 1.230 207 Y HN 0.733 nan 8.280 nan 0.000 0.455 208 Q N 2.482 122.211 119.800 -0.118 0.000 2.333 208 Q HA 0.594 4.934 4.340 -0.000 0.000 0.267 208 Q C -2.031 173.797 176.000 -0.287 0.000 1.012 208 Q CA -0.713 55.040 55.803 -0.082 0.000 0.824 208 Q CB 1.214 29.922 28.738 -0.050 0.000 1.290 208 Q HN 0.618 nan 8.270 nan 0.000 0.449 209 F N 2.456 122.423 119.950 0.027 0.000 2.467 209 F HA 0.334 4.861 4.527 -0.000 0.000 0.336 209 F C -0.125 175.596 175.800 -0.131 0.000 1.123 209 F CA -1.104 56.877 58.000 -0.031 0.000 0.964 209 F CB 1.585 40.544 39.000 -0.070 0.000 1.136 209 F HN 0.247 nan 8.300 nan 0.000 0.447 210 V N 2.004 121.922 119.914 0.007 0.000 2.389 210 V HA 0.436 4.556 4.120 -0.000 0.000 0.264 210 V C 0.079 175.990 176.094 -0.305 0.000 1.049 210 V CA -1.146 61.085 62.300 -0.115 0.000 0.932 210 V CB 0.249 32.015 31.823 -0.094 0.000 1.011 210 V HN 0.614 nan 8.190 nan 0.000 0.475 211 V N 4.473 124.146 119.914 -0.402 0.000 2.493 211 V HA 0.295 4.415 4.120 -0.000 0.000 0.292 211 V C -1.291 174.410 176.094 -0.655 0.000 1.016 211 V CA -1.208 60.646 62.300 -0.744 0.000 1.097 211 V CB -0.181 31.330 31.823 -0.522 0.000 0.947 211 V HN 0.862 nan 8.190 nan 0.000 0.479 212 P HA 0.183 nan 4.420 nan 0.000 0.269 212 P C 0.946 177.890 177.300 -0.594 0.000 1.209 212 P CA 0.431 63.180 63.100 -0.584 0.000 0.776 212 P CB 1.328 32.734 31.700 -0.489 0.000 0.876 213 A N 5.258 127.903 122.820 -0.292 0.000 1.906 213 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 213 A C 2.078 179.568 177.584 -0.157 0.000 1.282 213 A CA 2.601 54.539 52.037 -0.166 0.000 0.675 213 A CB -2.217 16.762 19.000 -0.037 0.000 0.838 213 A HN 0.861 nan 8.150 nan 0.000 0.469 214 W N -1.155 120.118 121.300 -0.046 0.000 2.325 214 W HA -0.009 4.651 4.660 -0.000 0.000 0.299 214 W C 1.769 178.320 176.519 0.053 0.000 1.215 214 W CA 1.440 58.780 57.345 -0.007 0.000 1.244 214 W CB -1.103 28.318 29.460 -0.065 0.000 1.140 214 W HN 0.477 nan 8.180 nan 0.000 0.523 215 A N 1.136 123.464 122.820 -0.821 0.000 2.275 215 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 215 A C 1.950 179.371 177.584 -0.271 0.000 1.201 215 A CA 0.853 52.550 52.037 -0.568 0.000 0.843 215 A CB -0.867 17.493 19.000 -1.066 0.000 0.873 215 A HN 0.320 nan 8.150 nan 0.000 0.492 216 S N -0.219 115.324 115.700 -0.261 0.000 2.660 216 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 216 S C 0.970 175.538 174.600 -0.054 0.000 0.966 216 S CA 0.885 58.991 58.200 -0.156 0.000 0.940 216 S CB -0.670 62.438 63.200 -0.154 0.000 0.773 216 S HN 1.000 nan 8.310 nan 0.000 0.535 217 V N -2.459 117.450 119.914 -0.008 0.000 3.253 217 V HA 0.509 4.629 4.120 -0.000 0.000 0.320 217 V C 0.135 176.261 176.094 0.053 0.000 1.442 217 V CA -0.617 61.700 62.300 0.029 0.000 1.097 217 V CB -0.588 31.270 31.823 0.058 0.000 1.008 217 V HN 0.358 nan 8.190 nan 0.000 0.463 218 L N 1.580 122.847 121.223 0.074 0.000 2.439 218 L HA 0.703 5.043 4.340 -0.000 0.000 0.261 218 L C 0.348 177.235 176.870 0.028 0.000 1.153 218 L CA 0.233 55.147 54.840 0.123 0.000 0.808 218 L CB 1.578 43.795 42.059 0.264 0.000 1.126 218 L HN 0.380 nan 8.230 nan 0.000 0.460 219 S N 1.349 117.019 115.700 -0.050 0.000 2.543 219 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 219 S C -1.081 173.262 174.600 -0.428 0.000 1.148 219 S CA -0.673 57.405 58.200 -0.203 0.000 0.914 219 S CB 1.615 64.742 63.200 -0.121 0.000 1.096 219 S HN 0.441 nan 8.310 nan 0.000 0.471 220 V N 1.646 121.152 119.914 -0.681 0.000 2.864 220 V HA 1.011 5.131 4.120 -0.000 0.000 0.314 220 V C -0.324 175.445 176.094 -0.543 0.000 1.073 220 V CA -0.433 61.378 62.300 -0.816 0.000 0.956 220 V CB 1.326 32.418 31.823 -1.217 0.000 1.023 220 V HN 1.083 nan 8.190 nan 0.000 0.435 221 T N -1.317 113.008 114.554 -0.382 0.000 2.909 221 T HA 0.711 5.061 4.350 -0.000 0.000 0.299 221 T C 0.580 175.156 174.700 -0.207 0.000 1.073 221 T CA -0.098 61.863 62.100 -0.232 0.000 0.999 221 T CB 1.131 69.912 68.868 -0.145 0.000 1.098 221 T HN 2.563 nan 8.240 nan 0.000 0.477 222 G N 0.591 109.295 108.800 -0.160 0.000 2.371 222 G HA2 0.242 4.202 3.960 -0.000 0.000 0.299 222 G HA3 0.242 4.202 3.960 -0.000 0.000 0.299 222 G C 0.180 174.924 174.900 -0.261 0.000 1.014 222 G CA -0.024 44.966 45.100 -0.183 0.000 1.097 222 G HN 1.476 nan 8.290 nan 0.000 0.512 223 A N 0.156 122.848 122.820 -0.213 0.000 2.340 223 A HA 0.854 5.174 4.320 -0.000 0.000 0.331 223 A C -0.471 177.111 177.584 -0.004 0.000 1.140 223 A CA -0.790 51.153 52.037 -0.156 0.000 0.801 223 A CB 1.247 20.152 19.000 -0.158 0.000 1.234 223 A HN 0.582 nan 8.150 nan 0.000 0.469 224 Y N 0.737 121.132 120.300 0.159 0.000 2.377 224 Y HA 0.522 5.072 4.550 -0.000 0.000 0.339 224 Y C -0.178 175.847 175.900 0.209 0.000 1.011 224 Y CA -0.989 57.244 58.100 0.221 0.000 1.093 224 Y CB 2.325 40.956 38.460 0.285 0.000 1.201 224 Y HN 0.379 nan 8.280 nan 0.000 0.455 225 V N 4.849 124.974 119.914 0.352 0.000 2.444 225 V HA 0.384 4.504 4.120 -0.000 0.000 0.294 225 V C -1.002 175.105 176.094 0.021 0.000 1.022 225 V CA -0.858 61.480 62.300 0.064 0.000 0.850 225 V CB 0.735 32.611 31.823 0.089 0.000 0.992 225 V HN 0.720 nan 8.190 nan 0.000 0.426 226 Y N 2.372 122.597 120.300 -0.126 0.000 2.818 226 Y HA 0.802 5.352 4.550 -0.000 0.000 0.322 226 Y C -1.333 174.401 175.900 -0.277 0.000 1.323 226 Y CA -2.119 55.879 58.100 -0.170 0.000 1.090 226 Y CB 1.128 39.572 38.460 -0.027 0.000 1.328 226 Y HN 0.327 nan 8.280 nan 0.000 0.482 227 F N 1.187 121.255 119.950 0.196 0.000 2.410 227 F HA 0.675 5.202 4.527 -0.000 0.000 0.349 227 F C 0.129 176.040 175.800 0.185 0.000 1.117 227 F CA -0.174 57.880 58.000 0.091 0.000 1.104 227 F CB 1.888 40.933 39.000 0.076 0.000 1.122 227 F HN 0.537 nan 8.300 nan 0.000 0.483 228 T N 1.604 116.323 114.554 0.275 0.000 2.858 228 T HA 0.313 4.663 4.350 -0.000 0.000 0.285 228 T C 0.050 174.844 174.700 0.157 0.000 1.052 228 T CA -0.955 61.286 62.100 0.236 0.000 1.009 228 T CB 1.562 70.559 68.868 0.215 0.000 1.241 228 T HN 0.626 nan 8.240 nan 0.000 0.542 229 N N -0.249 118.524 118.700 0.122 0.000 2.387 229 N HA 0.140 4.880 4.740 -0.000 0.000 0.259 229 N C -0.691 174.862 175.510 0.071 0.000 1.369 229 N CA -0.515 52.582 53.050 0.079 0.000 0.867 229 N CB 0.687 39.210 38.487 0.060 0.000 1.341 229 N HN 0.550 nan 8.380 nan 0.000 0.495 230 S N -0.238 115.521 115.700 0.098 0.000 2.549 230 S HA 0.728 5.198 4.470 -0.000 0.000 0.280 230 S C -1.563 173.145 174.600 0.181 0.000 1.109 230 S CA -0.722 57.544 58.200 0.109 0.000 0.905 230 S CB 1.940 65.187 63.200 0.078 0.000 1.081 230 S HN 0.168 nan 8.310 nan 0.000 0.477 231 F N 3.666 123.618 119.950 0.004 0.000 2.539 231 F HA 0.629 5.156 4.527 -0.000 0.000 0.328 231 F C -0.233 175.633 175.800 0.111 0.000 1.148 231 F CA -1.691 56.319 58.000 0.017 0.000 0.940 231 F CB 0.636 39.647 39.000 0.019 0.000 1.194 231 F HN 0.838 nan 8.300 nan 0.000 0.438 232 F N 4.251 123.929 119.950 -0.453 0.000 3.048 232 F HA -0.185 4.342 4.527 -0.000 0.000 0.287 232 F C 1.350 177.014 175.800 -0.227 0.000 0.796 232 F CA 1.522 59.251 58.000 -0.451 0.000 1.111 232 F CB -0.979 37.584 39.000 -0.729 0.000 1.320 232 F HN 1.159 nan 8.300 nan 0.000 0.430 233 G N 0.211 108.998 108.800 -0.021 0.000 2.140 233 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.211 233 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.211 233 G C -0.075 174.840 174.900 0.024 0.000 1.013 233 G CA 0.077 45.182 45.100 0.009 0.000 0.705 233 G HN 0.578 nan 8.290 nan 0.000 0.508 234 T N 1.095 115.676 114.554 0.046 0.000 2.863 234 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 234 T C 0.415 175.156 174.700 0.068 0.000 1.009 234 T CA -0.711 61.420 62.100 0.052 0.000 0.989 234 T CB 1.716 70.621 68.868 0.062 0.000 1.004 234 T HN 0.202 nan 8.240 nan 0.000 0.455 235 I N 3.298 123.893 120.570 0.041 0.000 2.533 235 I HA 0.209 4.379 4.170 -0.000 0.000 0.284 235 I C 0.386 176.515 176.117 0.019 0.000 1.109 235 I CA -0.296 61.022 61.300 0.031 0.000 1.412 235 I CB -0.293 37.716 38.000 0.016 0.000 1.396 235 I HN 0.546 nan 8.210 nan 0.000 0.543 236 I N 5.383 125.958 120.570 0.009 0.000 2.385 236 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 236 I C 0.574 176.662 176.117 -0.048 0.000 0.988 236 I CA -0.471 60.801 61.300 -0.048 0.000 1.265 236 I CB 1.476 39.422 38.000 -0.091 0.000 1.388 236 I HN 0.646 nan 8.210 nan 0.000 0.480 237 A N 3.850 126.629 122.820 -0.069 0.000 2.294 237 A HA 0.732 5.052 4.320 -0.000 0.000 0.330 237 A C 0.737 178.287 177.584 -0.056 0.000 1.133 237 A CA 0.023 52.032 52.037 -0.048 0.000 0.836 237 A CB 1.007 19.984 19.000 -0.039 0.000 1.190 237 A HN 1.169 nan 8.150 nan 0.000 0.492 238 G N -0.742 108.040 108.800 -0.030 0.000 2.171 238 G HA2 0.037 3.997 3.960 -0.000 0.000 0.238 238 G HA3 0.037 3.997 3.960 -0.000 0.000 0.238 238 G C -0.239 174.656 174.900 -0.009 0.000 1.039 238 G CA 0.187 45.275 45.100 -0.020 0.000 0.759 238 G HN 1.618 nan 8.290 nan 0.000 0.501 239 V N 0.027 119.940 119.914 -0.001 0.000 2.668 239 V HA 0.619 4.739 4.120 -0.000 0.000 0.304 239 V C 0.232 176.339 176.094 0.023 0.000 1.071 239 V CA -0.452 61.863 62.300 0.024 0.000 0.894 239 V CB 2.043 33.885 31.823 0.031 0.000 1.008 239 V HN 0.337 nan 8.190 nan 0.000 0.425 240 T N 3.260 117.823 114.554 0.016 0.000 2.837 240 T HA 0.564 4.914 4.350 -0.000 0.000 0.285 240 T C 0.748 175.426 174.700 -0.038 0.000 0.984 240 T CA 0.329 62.418 62.100 -0.018 0.000 1.049 240 T CB 1.770 70.611 68.868 -0.046 0.000 0.947 240 T HN 0.925 nan 8.240 nan 0.000 0.472 241 A N 2.496 125.303 122.820 -0.021 0.000 2.508 241 A HA 0.366 4.686 4.320 -0.000 0.000 0.257 241 A C 1.082 178.644 177.584 -0.037 0.000 1.226 241 A CA -0.392 51.645 52.037 -0.000 0.000 0.947 241 A CB -0.050 18.986 19.000 0.060 0.000 1.079 241 A HN 0.713 nan 8.150 nan 0.000 0.531 242 T N 1.199 115.713 114.554 -0.066 0.000 2.860 242 T HA 0.564 4.914 4.350 -0.000 0.000 0.299 242 T C 0.121 174.765 174.700 -0.093 0.000 1.045 242 T CA 0.704 62.768 62.100 -0.060 0.000 1.071 242 T CB 1.261 70.097 68.868 -0.052 0.000 0.985 242 T HN 1.118 nan 8.240 nan 0.000 0.537 243 A N 1.268 124.054 122.820 -0.057 0.000 2.590 243 A HA 0.628 4.948 4.320 -0.000 0.000 0.294 243 A C -0.461 177.109 177.584 -0.023 0.000 1.046 243 A CA -0.985 51.021 52.037 -0.052 0.000 0.684 243 A CB 1.074 20.054 19.000 -0.033 0.000 1.279 243 A HN 0.694 nan 8.150 nan 0.000 0.415 244 T N 0.859 115.402 114.554 -0.018 0.000 2.932 244 T HA 0.607 4.957 4.350 -0.000 0.000 0.289 244 T C 1.359 176.059 174.700 0.001 0.000 1.039 244 T CA 0.171 62.266 62.100 -0.009 0.000 1.024 244 T CB 1.776 70.638 68.868 -0.010 0.000 1.090 244 T HN 1.612 nan 8.240 nan 0.000 0.496 245 A N 0.759 123.581 122.820 0.002 0.000 2.172 245 A HA 0.237 4.557 4.320 -0.000 0.000 0.216 245 A C 2.187 179.776 177.584 0.008 0.000 1.154 245 A CA 1.407 53.447 52.037 0.006 0.000 0.701 245 A CB -0.807 18.195 19.000 0.004 0.000 0.789 245 A HN 0.890 nan 8.150 nan 0.000 0.465 246 A N -0.155 122.667 122.820 0.004 0.000 1.935 246 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 246 A C 0.633 178.220 177.584 0.006 0.000 1.178 246 A CA 0.403 52.443 52.037 0.004 0.000 0.640 246 A CB -0.388 18.612 19.000 0.001 0.000 0.825 246 A HN 0.418 nan 8.150 nan 0.000 0.447 247 D N 0.333 120.734 120.400 0.003 0.000 2.631 247 D HA 0.238 4.878 4.640 -0.000 0.000 0.225 247 D C 0.318 176.626 176.300 0.015 0.000 1.189 247 D CA 1.383 55.385 54.000 0.003 0.000 0.871 247 D CB 0.332 41.131 40.800 -0.003 0.000 1.224 247 D HN 0.461 nan 8.370 nan 0.000 0.510 248 A N 1.513 124.341 122.820 0.015 0.000 2.354 248 A HA 0.560 4.880 4.320 -0.000 0.000 0.281 248 A C 0.327 177.935 177.584 0.040 0.000 1.174 248 A CA -0.313 51.738 52.037 0.024 0.000 0.828 248 A CB 0.268 19.281 19.000 0.020 0.000 1.099 248 A HN 0.658 nan 8.150 nan 0.000 0.516 249 A N 3.505 126.354 122.820 0.047 0.000 2.584 249 A HA 0.418 4.738 4.320 -0.000 0.000 0.239 249 A C 0.854 178.488 177.584 0.084 0.000 1.043 249 A CA 0.683 52.761 52.037 0.068 0.000 0.756 249 A CB -0.413 18.621 19.000 0.057 0.000 0.963 249 A HN 0.840 nan 8.150 nan 0.000 0.511 250 T N 1.684 116.312 114.554 0.124 0.000 2.922 250 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 250 T C 0.300 175.081 174.700 0.135 0.000 1.005 250 T CA 0.371 62.557 62.100 0.143 0.000 1.061 250 T CB 1.269 70.277 68.868 0.233 0.000 1.007 250 T HN 1.028 nan 8.240 nan 0.000 0.502 251 T N 1.616 116.260 114.554 0.150 0.000 2.885 251 T HA 0.671 5.021 4.350 -0.000 0.000 0.322 251 T C -1.855 172.997 174.700 0.253 0.000 1.387 251 T CA -0.917 61.282 62.100 0.166 0.000 1.041 251 T CB 0.722 69.629 68.868 0.066 0.000 1.287 251 T HN 0.534 nan 8.240 nan 0.000 0.491 252 F N 0.532 120.464 119.950 -0.030 0.000 2.629 252 F HA 0.879 5.406 4.527 -0.000 0.000 0.316 252 F C -0.437 175.312 175.800 -0.085 0.000 1.081 252 F CA -0.874 57.108 58.000 -0.030 0.000 0.954 252 F CB 1.867 40.850 39.000 -0.029 0.000 1.337 252 F HN 0.703 nan 8.300 nan 0.000 0.474 253 T N -0.190 114.320 114.554 -0.073 0.000 2.900 253 T HA 0.759 5.109 4.350 -0.000 0.000 0.295 253 T C -1.542 173.094 174.700 -0.108 0.000 1.044 253 T CA -0.763 61.216 62.100 -0.202 0.000 0.995 253 T CB 1.592 70.399 68.868 -0.101 0.000 1.072 253 T HN 0.719 nan 8.240 nan 0.000 0.473 254 V N 4.308 124.127 119.914 -0.158 0.000 2.628 254 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 254 V C -1.265 174.801 176.094 -0.046 0.000 1.045 254 V CA -2.193 60.066 62.300 -0.067 0.000 0.905 254 V CB 2.115 33.905 31.823 -0.055 0.000 0.997 254 V HN 0.847 nan 8.190 nan 0.000 0.436 255 P HA -0.118 nan 4.420 nan 0.000 0.222 255 P C 1.043 178.331 177.300 -0.020 0.000 1.142 255 P CA 1.226 64.313 63.100 -0.021 0.000 0.788 255 P CB 0.238 31.927 31.700 -0.018 0.000 0.767 256 T N -1.878 112.668 114.554 -0.014 0.000 3.035 256 T HA 0.028 4.378 4.350 -0.000 0.000 0.259 256 T C 0.693 175.383 174.700 -0.017 0.000 1.078 256 T CA 0.623 62.718 62.100 -0.008 0.000 1.132 256 T CB -0.101 68.774 68.868 0.012 0.000 0.900 256 T HN 0.092 nan 8.240 nan 0.000 0.480 257 D N 0.187 120.566 120.400 -0.034 0.000 2.391 257 D HA 0.570 5.210 4.640 -0.000 0.000 0.245 257 D C 0.675 176.938 176.300 -0.062 0.000 1.069 257 D CA -0.375 53.596 54.000 -0.047 0.000 0.831 257 D CB 1.889 42.650 40.800 -0.066 0.000 1.204 257 D HN 0.066 nan 8.370 nan 0.000 0.503 258 A N 4.222 127.014 122.820 -0.047 0.000 2.015 258 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 258 A C 1.007 178.556 177.584 -0.058 0.000 1.163 258 A CA 0.815 52.825 52.037 -0.045 0.000 0.646 258 A CB -0.088 18.893 19.000 -0.032 0.000 0.806 258 A HN 0.542 nan 8.150 nan 0.000 0.448 259 N N 0.886 119.544 118.700 -0.069 0.000 2.495 259 N HA 0.145 4.885 4.740 -0.000 0.000 0.280 259 N C -0.950 174.480 175.510 -0.133 0.000 1.168 259 N CA -0.410 52.591 53.050 -0.081 0.000 0.978 259 N CB 0.379 38.827 38.487 -0.064 0.000 1.191 259 N HN 0.282 nan 8.380 nan 0.000 0.497 260 N N 1.087 119.710 118.700 -0.127 0.000 2.497 260 N HA 0.165 4.905 4.740 -0.000 0.000 0.271 260 N C -0.398 174.963 175.510 -0.248 0.000 1.142 260 N CA -0.029 52.913 53.050 -0.179 0.000 0.965 260 N CB 1.233 39.659 38.487 -0.101 0.000 1.077 260 N HN 0.277 nan 8.380 nan 0.000 0.462 261 L N 4.696 125.629 121.223 -0.483 0.000 2.255 261 L HA 0.318 4.658 4.340 -0.000 0.000 0.289 261 L C -1.869 174.831 176.870 -0.284 0.000 1.046 261 L CA -1.724 52.757 54.840 -0.598 0.000 0.816 261 L CB 1.236 42.406 42.059 -1.482 0.000 1.197 261 L HN 0.244 nan 8.230 nan 0.000 0.427 262 P HA 0.129 nan 4.420 nan 0.000 0.275 262 P C -0.715 176.693 177.300 0.180 0.000 1.227 262 P CA -0.191 62.957 63.100 0.079 0.000 0.781 262 P CB 1.806 33.542 31.700 0.059 0.000 0.906 263 V N 3.645 123.651 119.914 0.153 0.000 2.667 263 V HA 0.234 4.354 4.120 -0.000 0.000 0.308 263 V C 0.800 176.944 176.094 0.084 0.000 1.048 263 V CA -0.316 62.030 62.300 0.078 0.000 0.928 263 V CB 0.901 32.669 31.823 -0.091 0.000 1.004 263 V HN 0.646 nan 8.190 nan 0.000 0.444 264 Q N 1.066 120.915 119.800 0.082 0.000 2.502 264 Q HA -0.164 4.176 4.340 -0.000 0.000 0.273 264 Q C 0.049 176.100 176.000 0.084 0.000 1.127 264 Q CA 1.113 56.992 55.803 0.126 0.000 0.952 264 Q CB -1.412 27.441 28.738 0.192 0.000 1.333 264 Q HN 1.102 nan 8.270 nan 0.000 0.494 265 T N -2.816 111.789 114.554 0.084 0.000 2.912 265 T HA 0.441 4.791 4.350 -0.000 0.000 0.288 265 T C 0.164 174.877 174.700 0.021 0.000 1.030 265 T CA -0.735 61.398 62.100 0.056 0.000 1.020 265 T CB 1.411 70.330 68.868 0.084 0.000 1.056 265 T HN -0.037 nan 8.240 nan 0.000 0.480 266 D N 1.478 121.868 120.400 -0.017 0.000 2.346 266 D HA 0.125 4.765 4.640 -0.000 0.000 0.248 266 D C -0.016 176.366 176.300 0.137 0.000 1.173 266 D CA 0.233 54.194 54.000 -0.064 0.000 0.878 266 D CB -0.038 40.726 40.800 -0.059 0.000 0.919 266 D HN 0.366 nan 8.370 nan 0.000 0.513 267 S N 0.293 116.109 115.700 0.193 0.000 2.480 267 S HA 0.342 4.812 4.470 -0.000 0.000 0.286 267 S C 0.514 175.304 174.600 0.317 0.000 1.180 267 S CA -0.726 57.605 58.200 0.219 0.000 1.075 267 S CB 1.821 65.106 63.200 0.142 0.000 0.996 267 S HN 0.073 nan 8.310 nan 0.000 0.487 268 R N 2.449 123.078 120.500 0.215 0.000 2.234 268 R HA 0.393 4.733 4.340 -0.000 0.000 0.324 268 R C -0.562 175.784 176.300 0.076 0.000 1.054 268 R CA -0.173 55.974 56.100 0.077 0.000 0.912 268 R CB 0.245 30.527 30.300 -0.030 0.000 1.030 268 R HN 0.501 nan 8.270 nan 0.000 0.455 269 L N 1.000 122.283 121.223 0.099 0.000 2.358 269 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 269 L C 0.058 176.959 176.870 0.053 0.000 1.032 269 L CA -0.790 54.140 54.840 0.150 0.000 0.805 269 L CB 1.885 44.154 42.059 0.349 0.000 1.253 269 L HN 0.521 nan 8.230 nan 0.000 0.452 270 S N 1.292 117.054 115.700 0.103 0.000 2.677 270 S HA 0.778 5.248 4.470 -0.000 0.000 0.283 270 S C -1.010 173.658 174.600 0.115 0.000 1.159 270 S CA -0.600 57.578 58.200 -0.037 0.000 1.001 270 S CB 1.323 64.502 63.200 -0.035 0.000 1.032 270 S HN 0.511 nan 8.310 nan 0.000 0.487 271 F N -0.669 119.243 119.950 -0.064 0.000 2.817 271 F HA 0.846 5.373 4.527 -0.000 0.000 0.317 271 F C -0.869 174.901 175.800 -0.050 0.000 1.168 271 F CA -1.079 56.890 58.000 -0.051 0.000 0.911 271 F CB 0.819 39.798 39.000 -0.035 0.000 1.337 271 F HN 0.435 nan 8.300 nan 0.000 0.464 272 S N 0.632 116.479 115.700 0.245 0.000 2.538 272 S HA 0.576 5.046 4.470 -0.000 0.000 0.288 272 S C -0.549 174.165 174.600 0.191 0.000 1.108 272 S CA -0.890 57.375 58.200 0.108 0.000 0.971 272 S CB 1.493 64.706 63.200 0.022 0.000 1.041 272 S HN 0.908 nan 8.310 nan 0.000 0.483 273 L N 2.657 123.974 121.223 0.155 0.000 2.747 273 L HA 0.280 4.620 4.340 -0.000 0.000 0.248 273 L C 1.224 178.105 176.870 0.019 0.000 1.191 273 L CA -0.211 54.700 54.840 0.119 0.000 1.003 273 L CB -1.360 40.771 42.059 0.120 0.000 1.235 273 L HN 0.872 nan 8.230 nan 0.000 0.426 274 G N -1.457 107.357 108.800 0.022 0.000 2.437 274 G HA2 0.458 4.418 3.960 -0.000 0.000 0.319 274 G HA3 0.458 4.418 3.960 -0.000 0.000 0.319 274 G C 0.854 175.744 174.900 -0.017 0.000 1.158 274 G CA 0.116 45.209 45.100 -0.012 0.000 0.899 274 G HN 0.256 nan 8.290 nan 0.000 0.502 275 G N -1.200 107.582 108.800 -0.031 0.000 2.179 275 G HA2 0.301 4.261 3.960 -0.000 0.000 0.257 275 G HA3 0.301 4.261 3.960 -0.000 0.000 0.257 275 G C 0.842 175.722 174.900 -0.034 0.000 1.010 275 G CA 1.034 46.116 45.100 -0.030 0.000 0.736 275 G HN 2.339 nan 8.290 nan 0.000 0.513 276 G N -1.031 107.741 108.800 -0.046 0.000 2.404 276 G HA2 0.454 4.414 3.960 -0.000 0.000 0.253 276 G HA3 0.454 4.414 3.960 -0.000 0.000 0.253 276 G C -1.118 173.745 174.900 -0.061 0.000 1.253 276 G CA -0.002 45.070 45.100 -0.046 0.000 0.917 276 G HN 0.591 nan 8.290 nan 0.000 0.480 277 N N -0.413 118.263 118.700 -0.041 0.000 2.432 277 N HA 0.628 5.368 4.740 -0.000 0.000 0.292 277 N C -0.641 174.868 175.510 -0.002 0.000 1.193 277 N CA -0.497 52.531 53.050 -0.037 0.000 0.878 277 N CB 2.009 40.486 38.487 -0.018 0.000 1.252 277 N HN 0.465 nan 8.380 nan 0.000 0.520 278 I N 1.183 121.763 120.570 0.016 0.000 2.353 278 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 278 I C 0.081 176.310 176.117 0.187 0.000 0.992 278 I CA -0.501 60.832 61.300 0.056 0.000 1.268 278 I CB 0.634 38.555 38.000 -0.132 0.000 1.387 278 I HN 0.119 nan 8.210 nan 0.000 0.478 279 N N 7.164 125.976 118.700 0.186 0.000 2.589 279 N HA 0.233 4.973 4.740 -0.000 0.000 0.232 279 N C -0.964 174.726 175.510 0.299 0.000 1.015 279 N CA -0.373 52.804 53.050 0.212 0.000 0.931 279 N CB 1.530 40.083 38.487 0.111 0.000 1.150 279 N HN 0.417 nan 8.380 nan 0.000 0.512 280 L N 1.862 123.347 121.223 0.436 0.000 2.305 280 L HA 0.334 4.674 4.340 -0.000 0.000 0.281 280 L C 0.011 177.090 176.870 0.348 0.000 1.085 280 L CA 0.150 55.258 54.840 0.446 0.000 0.813 280 L CB 0.658 43.110 42.059 0.654 0.000 1.157 280 L HN 0.393 nan 8.230 nan 0.000 0.436 281 E N 5.946 126.294 120.200 0.246 0.000 2.346 281 E HA 0.250 4.600 4.350 -0.000 0.000 0.239 281 E C -0.700 175.980 176.600 0.134 0.000 0.943 281 E CA -0.518 55.995 56.400 0.187 0.000 0.751 281 E CB 1.435 31.213 29.700 0.130 0.000 1.241 281 E HN 0.578 nan 8.360 nan 0.000 0.423 282 L N 2.120 123.404 121.223 0.102 0.000 2.562 282 L HA 0.014 4.354 4.340 -0.000 0.000 0.271 282 L C 1.610 178.499 176.870 0.032 0.000 1.167 282 L CA 0.190 55.021 54.840 -0.016 0.000 0.917 282 L CB 0.507 42.454 42.059 -0.186 0.000 1.187 282 L HN 0.703 nan 8.230 nan 0.000 0.482 283 G N 3.841 112.663 108.800 0.037 0.000 2.484 283 G HA2 0.061 4.021 3.960 -0.000 0.000 0.218 283 G HA3 0.061 4.021 3.960 -0.000 0.000 0.218 283 G C 0.404 175.310 174.900 0.010 0.000 1.130 283 G CA 0.216 45.337 45.100 0.035 0.000 0.784 283 G HN 0.377 nan 8.290 nan 0.000 0.543 284 V N -0.118 119.782 119.914 -0.024 0.000 2.888 284 V HA 0.681 4.801 4.120 -0.000 0.000 0.309 284 V C 0.047 176.101 176.094 -0.066 0.000 1.114 284 V CA -1.217 61.060 62.300 -0.037 0.000 0.940 284 V CB 1.713 33.506 31.823 -0.050 0.000 1.021 284 V HN 0.353 nan 8.190 nan 0.000 0.426 285 A N 4.065 126.862 122.820 -0.037 0.000 2.511 285 A HA 0.537 4.857 4.320 -0.000 0.000 0.242 285 A C -0.009 177.536 177.584 -0.066 0.000 1.069 285 A CA 0.292 52.307 52.037 -0.035 0.000 0.763 285 A CB 0.063 19.064 19.000 0.002 0.000 1.001 285 A HN 0.786 nan 8.150 nan 0.000 0.498 286 K N 1.018 121.375 120.400 -0.071 0.000 2.422 286 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 286 K C -0.572 176.033 176.600 0.008 0.000 0.933 286 K CA -0.518 55.729 56.287 -0.067 0.000 0.798 286 K CB 2.007 34.422 32.500 -0.142 0.000 1.238 286 K HN 0.585 nan 8.250 nan 0.000 0.428 287 T N 1.645 116.202 114.554 0.005 0.000 4.320 287 T HA 0.262 4.612 4.350 -0.000 0.000 0.221 287 T C 0.280 175.007 174.700 0.046 0.000 0.896 287 T CA -0.105 62.010 62.100 0.025 0.000 0.928 287 T CB -0.623 68.250 68.868 0.009 0.000 1.369 287 T HN 0.884 nan 8.240 nan 0.000 0.836 288 G N 2.031 110.890 108.800 0.098 0.000 2.911 288 G HA2 0.185 4.145 3.960 -0.000 0.000 0.686 288 G HA3 0.185 4.145 3.960 -0.000 0.000 0.686 288 G C -0.871 174.136 174.900 0.178 0.000 1.136 288 G CA -0.995 44.169 45.100 0.107 0.000 0.764 288 G HN 0.653 nan 8.290 nan 0.000 0.626 289 F N -0.529 119.448 119.950 0.044 0.000 2.613 289 F HA 0.836 5.363 4.527 -0.000 0.000 0.310 289 F C -0.342 175.546 175.800 0.146 0.000 1.085 289 F CA -1.421 56.624 58.000 0.075 0.000 0.945 289 F CB 1.567 40.604 39.000 0.062 0.000 1.298 289 F HN 1.004 nan 8.300 nan 0.000 0.455 290 C N 4.037 123.480 119.300 0.238 0.000 2.522 290 C HA 0.796 5.256 4.460 -0.000 0.000 0.344 290 C C -0.938 173.993 174.990 -0.098 0.000 1.104 290 C CA -0.401 58.623 59.018 0.011 0.000 1.317 290 C CB 0.306 28.136 27.740 0.149 0.000 1.896 290 C HN 0.851 nan 8.230 nan 0.000 0.443 291 V N 5.324 124.869 119.914 -0.615 0.000 2.567 291 V HA 0.751 4.871 4.120 -0.000 0.000 0.289 291 V C 0.712 176.305 176.094 -0.835 0.000 1.049 291 V CA 0.021 61.764 62.300 -0.928 0.000 0.969 291 V CB 1.487 32.393 31.823 -1.527 0.000 0.995 291 V HN 1.094 nan 8.190 nan 0.000 0.471 292 A N 5.747 128.148 122.820 -0.698 0.000 2.343 292 A HA 0.820 5.140 4.320 -0.000 0.000 0.308 292 A C -0.780 176.514 177.584 -0.483 0.000 1.092 292 A CA -0.516 51.163 52.037 -0.597 0.000 0.751 292 A CB 0.744 19.272 19.000 -0.786 0.000 1.203 292 A HN 0.751 nan 8.150 nan 0.000 0.452 293 I N 2.130 122.602 120.570 -0.163 0.000 2.328 293 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 293 I C 0.027 176.250 176.117 0.176 0.000 1.012 293 I CA -0.030 61.316 61.300 0.077 0.000 1.195 293 I CB 1.410 39.586 38.000 0.293 0.000 1.350 293 I HN 0.766 nan 8.210 nan 0.000 0.464 294 E N 5.542 125.833 120.200 0.153 0.000 2.216 294 E HA 0.685 5.035 4.350 -0.000 0.000 0.260 294 E C -0.596 176.109 176.600 0.176 0.000 0.880 294 E CA -0.396 56.148 56.400 0.241 0.000 0.765 294 E CB 1.882 31.736 29.700 0.256 0.000 1.174 294 E HN 0.833 nan 8.360 nan 0.000 0.417 295 G N 3.226 112.159 108.800 0.221 0.000 2.529 295 G HA2 0.110 4.070 3.960 -0.000 0.000 0.238 295 G HA3 0.110 4.070 3.960 -0.000 0.000 0.238 295 G C -1.342 173.613 174.900 0.092 0.000 1.207 295 G CA -0.694 44.410 45.100 0.006 0.000 0.928 295 G HN 0.404 nan 8.290 nan 0.000 0.495 296 E N -0.013 120.149 120.200 -0.064 0.000 2.115 296 E HA 0.619 4.969 4.350 -0.000 0.000 0.282 296 E C -1.215 175.354 176.600 -0.051 0.000 0.987 296 E CA -0.411 56.004 56.400 0.025 0.000 0.797 296 E CB 0.490 30.177 29.700 -0.022 0.000 1.086 296 E HN 0.181 nan 8.360 nan 0.000 0.397 297 F N 2.069 121.998 119.950 -0.036 0.000 2.385 297 F HA 0.503 5.030 4.527 -0.000 0.000 0.336 297 F C 0.807 176.603 175.800 -0.008 0.000 1.100 297 F CA -0.323 57.659 58.000 -0.030 0.000 1.116 297 F CB 1.936 40.933 39.000 -0.005 0.000 1.166 297 F HN 0.244 nan 8.300 nan 0.000 0.511 298 T N 3.558 118.185 114.554 0.123 0.000 2.923 298 T HA 0.577 4.927 4.350 -0.000 0.000 0.311 298 T C -0.819 173.933 174.700 0.086 0.000 1.183 298 T CA -0.716 61.441 62.100 0.096 0.000 1.020 298 T CB 0.718 69.618 68.868 0.053 0.000 1.165 298 T HN 0.399 nan 8.240 nan 0.000 0.482 299 I N 4.550 125.179 120.570 0.098 0.000 2.496 299 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 299 I C 0.827 176.984 176.117 0.067 0.000 1.080 299 I CA -0.729 60.624 61.300 0.089 0.000 1.404 299 I CB 0.745 38.811 38.000 0.111 0.000 1.403 299 I HN 0.567 nan 8.210 nan 0.000 0.539 300 L N 5.460 126.701 121.223 0.030 0.000 2.554 300 L HA -0.022 4.318 4.340 -0.000 0.000 0.293 300 L C 1.020 177.856 176.870 -0.056 0.000 1.252 300 L CA -0.208 54.617 54.840 -0.026 0.000 0.862 300 L CB 0.074 42.115 42.059 -0.031 0.000 1.113 300 L HN 0.719 nan 8.230 nan 0.000 0.510 301 A N 3.656 126.349 122.820 -0.211 0.000 2.566 301 A HA 0.006 4.326 4.320 -0.000 0.000 0.245 301 A C 1.039 178.512 177.584 -0.185 0.000 1.056 301 A CA 0.229 51.999 52.037 -0.444 0.000 0.757 301 A CB -0.268 18.092 19.000 -1.066 0.000 0.979 301 A HN 1.013 nan 8.150 nan 0.000 0.508 302 N N 0.658 119.359 118.700 0.002 0.000 2.900 302 N HA -0.180 4.560 4.740 -0.000 0.000 0.240 302 N C 0.663 176.206 175.510 0.054 0.000 0.953 302 N CA 1.540 54.626 53.050 0.060 0.000 0.950 302 N CB -0.528 37.971 38.487 0.021 0.000 1.102 302 N HN 0.820 nan 8.380 nan 0.000 0.593 303 R N 0.542 121.074 120.500 0.054 0.000 2.312 303 R HA 0.156 4.496 4.340 -0.000 0.000 0.205 303 R C 1.959 178.330 176.300 0.118 0.000 0.904 303 R CA 0.885 57.025 56.100 0.066 0.000 1.052 303 R CB -0.207 30.118 30.300 0.041 0.000 1.014 303 R HN 0.458 nan 8.270 nan 0.000 0.503 304 S N 1.431 117.227 115.700 0.161 0.000 2.462 304 S HA -0.208 4.262 4.470 -0.000 0.000 0.243 304 S C 1.682 176.452 174.600 0.283 0.000 1.003 304 S CA 0.884 59.239 58.200 0.258 0.000 0.970 304 S CB -0.077 63.316 63.200 0.323 0.000 0.762 304 S HN 0.214 nan 8.310 nan 0.000 0.510 305 Q N 2.093 122.001 119.800 0.180 0.000 2.077 305 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 305 Q C 2.592 178.682 176.000 0.150 0.000 0.989 305 Q CA 1.776 57.661 55.803 0.137 0.000 0.853 305 Q CB -1.512 27.274 28.738 0.081 0.000 0.907 305 Q HN 0.729 nan 8.270 nan 0.000 0.418 306 A N 1.188 124.097 122.820 0.148 0.000 1.881 306 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 306 A C 2.094 179.795 177.584 0.195 0.000 1.215 306 A CA 2.073 54.198 52.037 0.147 0.000 0.648 306 A CB -1.279 17.805 19.000 0.140 0.000 0.832 306 A HN 0.463 nan 8.150 nan 0.000 0.455 307 Y N -0.963 119.391 120.300 0.090 0.000 2.036 307 Y HA -0.262 4.288 4.550 -0.000 0.000 0.273 307 Y C 2.265 178.229 175.900 0.106 0.000 1.135 307 Y CA 1.912 60.052 58.100 0.067 0.000 1.106 307 Y CB -1.047 37.388 38.460 -0.043 0.000 0.976 307 Y HN 0.381 nan 8.280 nan 0.000 0.483 308 Y N -1.091 119.121 120.300 -0.148 0.000 2.483 308 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 308 Y C 2.529 178.175 175.900 -0.424 0.000 1.143 308 Y CA 1.548 59.302 58.100 -0.577 0.000 1.289 308 Y CB -0.310 37.867 38.460 -0.471 0.000 0.983 308 Y HN 0.161 nan 8.280 nan 0.000 0.556 309 T N -0.279 114.265 114.554 -0.016 0.000 3.086 309 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 309 T C 0.650 175.370 174.700 0.032 0.000 1.074 309 T CA 0.107 62.206 62.100 -0.003 0.000 0.988 309 T CB -0.288 68.599 68.868 0.032 0.000 0.988 309 T HN 0.317 nan 8.240 nan 0.000 0.530 310 L N 1.696 122.953 121.223 0.057 0.000 3.730 310 L HA -0.209 4.131 4.340 -0.000 0.000 0.410 310 L C 1.226 178.137 176.870 0.069 0.000 1.234 310 L CA 0.314 55.204 54.840 0.083 0.000 0.911 310 L CB -1.830 40.279 42.059 0.083 0.000 1.942 310 L HN 0.389 nan 8.230 nan 0.000 0.860 311 N N 0.407 119.152 118.700 0.074 0.000 2.368 311 N HA -0.053 4.687 4.740 -0.000 0.000 0.176 311 N C 1.659 177.208 175.510 0.065 0.000 1.021 311 N CA 1.148 54.236 53.050 0.064 0.000 0.888 311 N CB 0.271 38.795 38.487 0.062 0.000 0.995 311 N HN 0.622 nan 8.380 nan 0.000 0.437 312 S N 0.249 116.002 115.700 0.089 0.000 2.537 312 S HA 0.016 4.486 4.470 -0.000 0.000 0.240 312 S C 1.061 175.698 174.600 0.061 0.000 0.981 312 S CA 0.147 58.404 58.200 0.094 0.000 0.948 312 S CB -0.490 62.803 63.200 0.154 0.000 0.759 312 S HN 0.222 nan 8.310 nan 0.000 0.531 313 I N 2.884 123.482 120.570 0.047 0.000 2.363 313 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 313 I C 0.900 177.028 176.117 0.019 0.000 1.075 313 I CA -0.249 61.064 61.300 0.021 0.000 1.333 313 I CB 1.094 39.108 38.000 0.022 0.000 1.415 313 I HN 0.250 nan 8.210 nan 0.000 0.502 314 T N 3.109 117.670 114.554 0.011 0.000 3.056 314 T HA 0.084 4.434 4.350 -0.000 0.000 0.241 314 T C 0.818 175.524 174.700 0.011 0.000 1.006 314 T CA 0.021 62.129 62.100 0.014 0.000 1.115 314 T CB 0.094 68.972 68.868 0.016 0.000 0.939 314 T HN 0.385 nan 8.240 nan 0.000 0.462 315 Q N 1.013 120.817 119.800 0.007 0.000 2.222 315 Q HA 0.588 4.928 4.340 -0.000 0.000 0.211 315 Q C -0.899 175.104 176.000 0.005 0.000 1.013 315 Q CA 0.076 55.884 55.803 0.009 0.000 0.993 315 Q CB 0.953 29.699 28.738 0.014 0.000 1.151 315 Q HN 0.169 nan 8.270 nan 0.000 0.544 316 T N 2.073 116.631 114.554 0.006 0.000 3.170 316 T HA 0.449 4.799 4.350 -0.000 0.000 0.315 316 T C -2.442 172.260 174.700 0.004 0.000 0.967 316 T CA -1.039 61.062 62.100 0.002 0.000 1.024 316 T CB 1.136 70.004 68.868 -0.000 0.000 1.018 316 T HN 0.516 nan 8.240 nan 0.000 0.449 317 P HA 0.687 nan 4.420 nan 0.000 0.283 317 P C -0.586 176.717 177.300 0.005 0.000 1.278 317 P CA -0.497 62.602 63.100 -0.001 0.000 0.834 317 P CB 1.232 32.929 31.700 -0.004 0.000 1.150 318 T N -3.029 111.524 114.554 -0.002 0.000 2.883 318 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 318 T C 0.100 174.803 174.700 0.004 0.000 1.041 318 T CA -0.727 61.369 62.100 -0.005 0.000 1.007 318 T CB 0.633 69.481 68.868 -0.032 0.000 1.220 318 T HN 0.304 nan 8.240 nan 0.000 0.552 319 S N 0.179 115.886 115.700 0.012 0.000 2.617 319 S HA 0.763 5.233 4.470 -0.000 0.000 0.283 319 S C -0.611 173.990 174.600 0.001 0.000 1.189 319 S CA -0.794 57.434 58.200 0.048 0.000 1.036 319 S CB 0.349 63.660 63.200 0.185 0.000 1.014 319 S HN 0.760 nan 8.310 nan 0.000 0.522 320 I N 2.196 122.765 120.570 -0.002 0.000 2.753 320 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 320 I C -1.359 174.731 176.117 -0.046 0.000 1.425 320 I CA -0.636 60.640 61.300 -0.039 0.000 1.039 320 I CB 1.721 39.694 38.000 -0.045 0.000 1.349 320 I HN 0.760 nan 8.210 nan 0.000 0.430 321 D N 4.866 125.204 120.400 -0.103 0.000 2.469 321 D HA 0.152 4.792 4.640 -0.000 0.000 0.278 321 D C -0.428 175.805 176.300 -0.111 0.000 1.231 321 D CA -0.133 53.820 54.000 -0.078 0.000 1.075 321 D CB 0.929 41.699 40.800 -0.051 0.000 1.121 321 D HN 0.589 nan 8.370 nan 0.000 0.571 322 D N -2.342 118.072 120.400 0.023 0.000 2.538 322 D HA 0.100 4.740 4.640 -0.000 0.000 0.231 322 D C -0.023 176.515 176.300 0.396 0.000 1.229 322 D CA -0.848 53.311 54.000 0.265 0.000 0.828 322 D CB -1.177 39.855 40.800 0.386 0.000 1.035 322 D HN 0.444 nan 8.370 nan 0.000 0.495 323 F N 1.364 121.525 119.950 0.353 0.000 3.090 323 F HA -0.289 4.238 4.527 -0.000 0.000 0.282 323 F C 0.068 176.175 175.800 0.511 0.000 0.923 323 F CA 0.686 58.904 58.000 0.363 0.000 0.977 323 F CB -1.871 37.234 39.000 0.175 0.000 0.954 323 F HN 0.027 nan 8.300 nan 0.000 0.695 324 D N -2.610 118.083 120.400 0.489 0.000 3.077 324 D HA -0.212 4.428 4.640 -0.000 0.000 0.217 324 D C 1.343 177.946 176.300 0.504 0.000 1.162 324 D CA 0.963 55.235 54.000 0.454 0.000 0.943 324 D CB -1.312 39.795 40.800 0.512 0.000 1.122 324 D HN 0.383 nan 8.370 nan 0.000 0.413 325 V N 1.099 121.266 119.914 0.421 0.000 2.287 325 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 325 V C 2.720 178.965 176.094 0.250 0.000 1.053 325 V CA 2.610 65.040 62.300 0.217 0.000 1.027 325 V CB -0.789 30.927 31.823 -0.178 0.000 0.646 325 V HN 0.538 nan 8.190 nan 0.000 0.447 326 S N 0.645 116.466 115.700 0.202 0.000 2.393 326 S HA -0.389 4.081 4.470 -0.000 0.000 0.234 326 S C 1.619 176.293 174.600 0.124 0.000 1.064 326 S CA 2.137 60.431 58.200 0.157 0.000 1.088 326 S CB -0.905 62.381 63.200 0.144 0.000 0.939 326 S HN 0.618 nan 8.310 nan 0.000 0.448 327 D N 1.031 121.506 120.400 0.125 0.000 2.144 327 D HA -0.003 4.637 4.640 -0.000 0.000 0.199 327 D C 1.494 177.714 176.300 -0.133 0.000 0.984 327 D CA 1.044 55.023 54.000 -0.034 0.000 0.834 327 D CB -0.469 40.257 40.800 -0.123 0.000 0.955 327 D HN 0.562 nan 8.370 nan 0.000 0.465 328 F N 0.171 120.157 119.950 0.060 0.000 2.416 328 F HA 0.129 4.656 4.527 -0.000 0.000 0.296 328 F C 2.263 178.095 175.800 0.053 0.000 1.099 328 F CA 0.136 58.166 58.000 0.051 0.000 1.427 328 F CB -0.319 38.710 39.000 0.048 0.000 1.079 328 F HN -0.107 nan 8.300 nan 0.000 0.536 329 L N -0.614 120.738 121.223 0.216 0.000 2.046 329 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 329 L C 2.337 179.278 176.870 0.118 0.000 1.077 329 L CA 1.361 56.314 54.840 0.189 0.000 0.747 329 L CB -1.220 40.914 42.059 0.126 0.000 0.896 329 L HN 0.125 nan 8.230 nan 0.000 0.432 330 T N -0.171 114.400 114.554 0.028 0.000 2.502 330 T HA -0.379 3.971 4.350 -0.000 0.000 0.238 330 T C 1.771 176.466 174.700 -0.008 0.000 1.324 330 T CA 2.963 65.047 62.100 -0.027 0.000 1.111 330 T CB -0.950 67.895 68.868 -0.040 0.000 0.835 330 T HN 0.580 nan 8.240 nan 0.000 0.449 331 T N 1.764 116.331 114.554 0.023 0.000 2.570 331 T HA -0.228 4.122 4.350 -0.000 0.000 0.266 331 T C 1.575 176.317 174.700 0.070 0.000 1.071 331 T CA 1.886 64.001 62.100 0.024 0.000 1.172 331 T CB -1.067 67.809 68.868 0.014 0.000 0.864 331 T HN 0.335 nan 8.240 nan 0.000 0.421 332 F N 2.311 122.250 119.950 -0.018 0.000 2.091 332 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 332 F C 2.102 177.913 175.800 0.019 0.000 1.103 332 F CA 0.782 58.785 58.000 0.004 0.000 1.228 332 F CB -0.866 38.162 39.000 0.046 0.000 0.984 332 F HN 0.063 nan 8.300 nan 0.000 0.477 333 L N -0.531 120.609 121.223 -0.137 0.000 1.989 333 L HA -0.295 4.045 4.340 -0.000 0.000 0.211 333 L C 2.695 179.442 176.870 -0.205 0.000 1.071 333 L CA 1.886 56.576 54.840 -0.250 0.000 0.749 333 L CB -1.127 40.784 42.059 -0.247 0.000 0.890 333 L HN 0.060 nan 8.230 nan 0.000 0.431 334 S N -1.098 114.519 115.700 -0.138 0.000 2.402 334 S HA -0.241 4.229 4.470 -0.000 0.000 0.233 334 S C 1.962 176.504 174.600 -0.097 0.000 1.030 334 S CA 1.200 59.334 58.200 -0.109 0.000 1.003 334 S CB -0.181 62.975 63.200 -0.074 0.000 0.813 334 S HN 0.392 nan 8.310 nan 0.000 0.477 335 Q N 0.296 120.037 119.800 -0.098 0.000 2.172 335 Q HA 0.101 4.441 4.340 -0.000 0.000 0.200 335 Q C 2.220 178.169 176.000 -0.084 0.000 0.964 335 Q CA 0.692 56.460 55.803 -0.057 0.000 0.855 335 Q CB -0.347 28.413 28.738 0.037 0.000 0.918 335 Q HN 0.514 nan 8.270 nan 0.000 0.444 336 L N 0.164 121.260 121.223 -0.213 0.000 2.005 336 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 336 L C 2.593 179.458 176.870 -0.008 0.000 1.072 336 L CA 1.075 55.831 54.840 -0.140 0.000 0.744 336 L CB -0.393 41.499 42.059 -0.279 0.000 0.895 336 L HN 0.129 nan 8.230 nan 0.000 0.433 337 R N 0.104 120.588 120.500 -0.026 0.000 2.103 337 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 337 R C 2.284 178.556 176.300 -0.045 0.000 1.142 337 R CA 1.541 57.610 56.100 -0.052 0.000 0.960 337 R CB -0.772 29.438 30.300 -0.150 0.000 0.858 337 R HN 0.396 nan 8.270 nan 0.000 0.439 338 A N 0.989 123.777 122.820 -0.053 0.000 1.940 338 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 338 A C 2.304 179.863 177.584 -0.042 0.000 1.176 338 A CA 1.698 53.706 52.037 -0.047 0.000 0.631 338 A CB -0.551 18.420 19.000 -0.047 0.000 0.814 338 A HN 0.662 nan 8.150 nan 0.000 0.446 339 C N -3.194 116.080 119.300 -0.044 0.000 2.884 339 C HA 0.605 5.065 4.460 -0.000 0.000 0.287 339 C C 1.545 176.529 174.990 -0.009 0.000 1.310 339 C CA -0.223 58.764 59.018 -0.053 0.000 1.725 339 C CB -0.821 26.839 27.740 -0.134 0.000 2.060 339 C HN 1.675 nan 8.230 nan 0.000 0.618 340 G N 1.525 110.337 108.800 0.021 0.000 2.249 340 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.273 340 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.273 340 G C 0.559 175.522 174.900 0.106 0.000 1.036 340 G CA 0.779 45.914 45.100 0.059 0.000 0.824 340 G HN 0.621 nan 8.290 nan 0.000 0.504 341 Q N -1.503 118.379 119.800 0.137 0.000 2.247 341 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 341 Q C 1.574 177.700 176.000 0.211 0.000 0.861 341 Q CA 0.029 55.941 55.803 0.182 0.000 0.949 341 Q CB 0.109 29.001 28.738 0.257 0.000 1.115 341 Q HN 0.752 nan 8.270 nan 0.000 0.507 342 Y N 2.491 122.837 120.300 0.077 0.000 2.181 342 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 342 Y C 1.319 177.340 175.900 0.202 0.000 1.179 342 Y CA 2.254 60.421 58.100 0.112 0.000 1.179 342 Y CB 0.485 38.978 38.460 0.056 0.000 0.973 342 Y HN 0.094 nan 8.280 nan 0.000 0.519 343 E N -0.020 120.321 120.200 0.235 0.000 2.042 343 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 343 E C 1.958 178.603 176.600 0.075 0.000 0.974 343 E CA 1.305 57.789 56.400 0.141 0.000 0.806 343 E CB -0.481 29.326 29.700 0.179 0.000 0.769 343 E HN 0.402 nan 8.360 nan 0.000 0.451 344 I N 0.673 121.302 120.570 0.100 0.000 2.194 344 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 344 I C 2.049 178.185 176.117 0.033 0.000 1.093 344 I CA 1.185 62.524 61.300 0.065 0.000 1.355 344 I CB -0.535 37.519 38.000 0.091 0.000 1.046 344 I HN 0.037 nan 8.210 nan 0.000 0.413 345 F N 0.754 120.651 119.950 -0.089 0.000 2.051 345 F HA -0.253 4.274 4.527 -0.000 0.000 0.296 345 F C 2.948 178.588 175.800 -0.267 0.000 1.122 345 F CA 1.909 59.796 58.000 -0.188 0.000 1.201 345 F CB -0.745 38.148 39.000 -0.178 0.000 0.978 345 F HN 0.027 nan 8.300 nan 0.000 0.472 346 S N -0.223 115.440 115.700 -0.061 0.000 2.407 346 S HA -0.255 4.215 4.470 -0.000 0.000 0.235 346 S C 1.897 176.410 174.600 -0.145 0.000 1.036 346 S CA 1.947 60.112 58.200 -0.058 0.000 1.013 346 S CB -0.658 62.570 63.200 0.046 0.000 0.820 346 S HN 0.478 nan 8.310 nan 0.000 0.476 347 D N 0.718 121.036 120.400 -0.136 0.000 2.091 347 D HA 0.056 4.696 4.640 -0.000 0.000 0.199 347 D C 2.321 178.491 176.300 -0.218 0.000 0.980 347 D CA 1.280 55.205 54.000 -0.126 0.000 0.831 347 D CB -0.607 40.148 40.800 -0.076 0.000 0.987 347 D HN 0.487 nan 8.370 nan 0.000 0.460 348 A N 1.097 123.727 122.820 -0.316 0.000 1.908 348 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 348 A C 2.137 179.420 177.584 -0.503 0.000 1.181 348 A CA 1.332 53.131 52.037 -0.398 0.000 0.627 348 A CB -0.429 18.289 19.000 -0.470 0.000 0.818 348 A HN 0.121 nan 8.150 nan 0.000 0.445 349 M N 0.041 119.219 119.600 -0.704 0.000 2.213 349 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 349 M C 1.454 177.547 176.300 -0.344 0.000 1.062 349 M CA 1.235 56.131 55.300 -0.673 0.000 1.105 349 M CB -1.381 30.646 32.600 -0.955 0.000 1.385 349 M HN 0.427 nan 8.290 nan 0.000 0.417 350 D N -0.325 119.929 120.400 -0.243 0.000 2.117 350 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 350 D C 2.010 178.249 176.300 -0.102 0.000 0.987 350 D CA 1.121 55.047 54.000 -0.123 0.000 0.829 350 D CB 0.016 40.781 40.800 -0.058 0.000 0.961 350 D HN 0.520 nan 8.370 nan 0.000 0.460 351 Q N 0.095 119.806 119.800 -0.147 0.000 2.083 351 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 351 Q C 2.284 178.191 176.000 -0.155 0.000 0.969 351 Q CA 0.247 55.973 55.803 -0.129 0.000 0.838 351 Q CB 0.010 28.662 28.738 -0.143 0.000 0.900 351 Q HN 0.219 nan 8.270 nan 0.000 0.436 352 L N 0.930 122.016 121.223 -0.228 0.000 1.971 352 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 352 L C 1.996 178.758 176.870 -0.180 0.000 1.072 352 L CA 2.233 56.921 54.840 -0.252 0.000 0.758 352 L CB -1.331 40.524 42.059 -0.341 0.000 0.889 352 L HN 0.243 nan 8.230 nan 0.000 0.433 353 T N 0.437 114.901 114.554 -0.149 0.000 2.699 353 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 353 T C 1.675 176.371 174.700 -0.006 0.000 1.036 353 T CA 1.893 63.948 62.100 -0.075 0.000 1.147 353 T CB -0.246 68.575 68.868 -0.078 0.000 0.862 353 T HN 0.380 nan 8.240 nan 0.000 0.446 354 N N 0.537 119.240 118.700 0.005 0.000 2.106 354 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 354 N C 2.160 177.659 175.510 -0.017 0.000 1.029 354 N CA 1.161 54.225 53.050 0.024 0.000 0.848 354 N CB -0.316 38.180 38.487 0.015 0.000 1.007 354 N HN 0.157 nan 8.380 nan 0.000 0.423 355 S N 0.547 116.215 115.700 -0.054 0.000 2.399 355 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 355 S C 1.721 176.294 174.600 -0.046 0.000 1.022 355 S CA 0.406 58.571 58.200 -0.058 0.000 0.983 355 S CB -0.280 62.865 63.200 -0.092 0.000 0.803 355 S HN 0.282 nan 8.310 nan 0.000 0.480 356 L N 1.830 123.009 121.223 -0.073 0.000 1.989 356 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 356 L C 1.956 178.850 176.870 0.041 0.000 1.071 356 L CA 1.905 56.698 54.840 -0.078 0.000 0.749 356 L CB -0.977 40.970 42.059 -0.187 0.000 0.890 356 L HN 0.341 nan 8.230 nan 0.000 0.431 357 I N -0.466 120.114 120.570 0.016 0.000 2.286 357 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 357 I C 2.385 178.554 176.117 0.086 0.000 1.115 357 I CA 1.487 62.815 61.300 0.046 0.000 1.392 357 I CB -0.619 37.391 38.000 0.017 0.000 1.065 357 I HN 0.273 nan 8.210 nan 0.000 0.418 358 T N 1.047 115.627 114.554 0.044 0.000 2.652 358 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 358 T C 1.573 176.300 174.700 0.044 0.000 1.039 358 T CA 1.620 63.737 62.100 0.029 0.000 1.153 358 T CB -0.391 68.478 68.868 0.000 0.000 0.863 358 T HN 0.315 nan 8.240 nan 0.000 0.428 359 N N 0.332 119.060 118.700 0.047 0.000 2.573 359 N HA -0.029 4.711 4.740 -0.000 0.000 0.187 359 N C 0.918 176.389 175.510 -0.066 0.000 1.107 359 N CA 0.630 53.679 53.050 -0.003 0.000 0.918 359 N CB -0.270 38.204 38.487 -0.021 0.000 0.966 359 N HN 0.509 nan 8.380 nan 0.000 0.448 360 Y N -0.069 120.233 120.300 0.004 0.000 2.478 360 Y HA 0.291 4.841 4.550 -0.000 0.000 0.261 360 Y C 0.536 176.442 175.900 0.011 0.000 1.127 360 Y CA 0.192 58.301 58.100 0.016 0.000 1.288 360 Y CB 0.383 38.847 38.460 0.006 0.000 1.084 360 Y HN -0.088 nan 8.280 nan 0.000 0.530 361 M N 0.452 120.112 119.600 0.100 0.000 2.253 361 M HA 0.216 4.696 4.480 -0.000 0.000 0.314 361 M C -1.317 174.997 176.300 0.023 0.000 1.019 361 M CA -0.626 54.709 55.300 0.058 0.000 0.932 361 M CB 1.622 34.251 32.600 0.049 0.000 1.606 361 M HN -0.111 nan 8.290 nan 0.000 0.430 362 D N 5.952 126.362 120.400 0.017 0.000 2.274 362 D HA 0.417 5.057 4.640 -0.000 0.000 0.239 362 D C -2.268 174.036 176.300 0.007 0.000 1.104 362 D CA -1.071 52.933 54.000 0.007 0.000 0.840 362 D CB 1.393 42.195 40.800 0.005 0.000 1.100 362 D HN 0.445 nan 8.370 nan 0.000 0.477 363 P HA 0.368 nan 4.420 nan 0.000 0.281 363 P C -2.617 174.683 177.300 -0.000 0.000 1.249 363 P CA -1.567 61.533 63.100 0.000 0.000 0.810 363 P CB 0.168 31.867 31.700 -0.002 0.000 1.008 364 P HA 0.115 nan 4.420 nan 0.000 0.180 364 P C -0.811 176.485 177.300 -0.007 0.000 1.169 364 P CA 1.148 64.246 63.100 -0.004 0.000 1.228 364 P CB -0.903 30.793 31.700 -0.007 0.000 1.668 365 A N 2.296 125.113 122.820 -0.006 0.000 2.540 365 A HA 0.458 4.778 4.320 -0.000 0.000 0.297 365 A C -0.573 177.001 177.584 -0.016 0.000 1.056 365 A CA -0.771 51.258 52.037 -0.012 0.000 0.700 365 A CB 0.661 19.653 19.000 -0.014 0.000 1.280 365 A HN 0.077 nan 8.150 nan 0.000 0.398 366 I N 3.562 124.118 120.570 -0.023 0.000 2.919 366 I HA 0.075 4.245 4.170 -0.000 0.000 0.299 366 I C -1.328 174.764 176.117 -0.042 0.000 1.221 366 I CA -0.093 61.186 61.300 -0.035 0.000 1.424 366 I CB -0.520 37.452 38.000 -0.046 0.000 1.358 366 I HN 0.478 nan 8.210 nan 0.000 0.551 367 P HA 0.186 nan 4.420 nan 0.000 0.269 367 P C -0.638 176.624 177.300 -0.065 0.000 1.215 367 P CA -0.473 62.598 63.100 -0.048 0.000 0.780 367 P CB 0.714 32.385 31.700 -0.049 0.000 0.898 368 A N 0.926 123.712 122.820 -0.055 0.000 2.322 368 A HA 0.553 4.873 4.320 -0.000 0.000 0.269 368 A C 1.273 178.812 177.584 -0.074 0.000 1.094 368 A CA 0.239 52.239 52.037 -0.061 0.000 0.807 368 A CB -0.595 18.378 19.000 -0.045 0.000 1.047 368 A HN 0.890 nan 8.150 nan 0.000 0.487 369 G N -0.614 108.137 108.800 -0.083 0.000 2.157 369 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.248 369 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.248 369 G C 0.017 174.834 174.900 -0.138 0.000 0.979 369 G CA 0.309 45.354 45.100 -0.092 0.000 0.650 369 G HN 1.569 nan 8.290 nan 0.000 0.529 370 L N 1.368 122.485 121.223 -0.177 0.000 2.334 370 L HA 0.762 5.102 4.340 -0.000 0.000 0.286 370 L C 0.423 177.082 176.870 -0.351 0.000 1.108 370 L CA 0.231 54.891 54.840 -0.301 0.000 0.875 370 L CB 0.249 42.115 42.059 -0.322 0.000 1.246 370 L HN 0.781 nan 8.230 nan 0.000 0.439 371 A N 5.252 127.869 122.820 -0.337 0.000 2.343 371 A HA 0.603 4.923 4.320 -0.000 0.000 0.308 371 A C -1.029 176.409 177.584 -0.243 0.000 1.092 371 A CA -0.442 51.449 52.037 -0.242 0.000 0.751 371 A CB 0.417 19.347 19.000 -0.117 0.000 1.203 371 A HN 0.550 nan 8.150 nan 0.000 0.452 372 F N 1.814 121.733 119.950 -0.051 0.000 2.420 372 F HA 0.252 4.779 4.527 -0.000 0.000 0.352 372 F C 1.592 177.355 175.800 -0.061 0.000 1.108 372 F CA -0.099 57.864 58.000 -0.063 0.000 1.162 372 F CB 1.975 40.937 39.000 -0.064 0.000 1.118 372 F HN 0.689 nan 8.300 nan 0.000 0.510 373 T N 0.524 115.176 114.554 0.163 0.000 2.978 373 T HA -0.035 4.315 4.350 -0.000 0.000 0.262 373 T C 0.682 175.384 174.700 0.004 0.000 1.063 373 T CA 0.792 62.923 62.100 0.053 0.000 1.140 373 T CB 0.015 68.895 68.868 0.020 0.000 0.886 373 T HN 0.563 nan 8.240 nan 0.000 0.470 374 S N 1.239 116.916 115.700 -0.037 0.000 2.715 374 S HA 0.681 5.151 4.470 -0.000 0.000 0.307 374 S C -3.004 171.453 174.600 -0.238 0.000 1.119 374 S CA -1.701 56.408 58.200 -0.152 0.000 0.937 374 S CB 1.938 65.013 63.200 -0.208 0.000 1.150 374 S HN -0.012 nan 8.310 nan 0.000 0.521 375 P HA 0.150 nan 4.420 nan 0.000 0.277 375 P C 1.109 178.118 177.300 -0.485 0.000 1.271 375 P CA -0.684 62.188 63.100 -0.381 0.000 0.795 375 P CB 0.327 31.773 31.700 -0.424 0.000 1.101 376 W N 1.687 122.801 121.300 -0.309 0.000 2.359 376 W HA -0.162 4.498 4.660 -0.000 0.000 0.275 376 W C 0.677 177.183 176.519 -0.023 0.000 1.217 376 W CA 0.664 57.898 57.345 -0.186 0.000 1.196 376 W CB -1.662 27.755 29.460 -0.072 0.000 1.129 376 W HN 0.241 nan 8.180 nan 0.000 0.566 377 F N 0.425 119.781 119.950 -0.990 0.000 2.639 377 F HA 0.504 5.031 4.527 -0.000 0.000 0.300 377 F C 1.180 176.777 175.800 -0.339 0.000 1.109 377 F CA -0.963 56.495 58.000 -0.903 0.000 1.335 377 F CB -0.688 37.493 39.000 -1.364 0.000 1.014 377 F HN -0.305 nan 8.300 nan 0.000 0.537 378 R N 0.305 120.491 120.500 -0.523 0.000 2.865 378 R HA 0.134 4.474 4.340 -0.000 0.000 0.370 378 R C 0.729 176.973 176.300 -0.094 0.000 1.168 378 R CA -0.490 55.443 56.100 -0.278 0.000 1.058 378 R CB -0.534 29.520 30.300 -0.411 0.000 1.419 378 R HN 0.311 nan 8.270 nan 0.000 0.580 379 F N 2.129 122.011 119.950 -0.114 0.000 2.138 379 F HA -0.509 4.018 4.527 -0.000 0.000 0.290 379 F C 2.489 178.286 175.800 -0.004 0.000 1.133 379 F CA 2.762 60.747 58.000 -0.024 0.000 1.280 379 F CB -0.609 38.430 39.000 0.065 0.000 0.924 379 F HN 0.257 nan 8.300 nan 0.000 0.528 380 S N -0.791 115.022 115.700 0.190 0.000 2.422 380 S HA -0.377 4.093 4.470 -0.000 0.000 0.241 380 S C 1.753 176.314 174.600 -0.065 0.000 1.076 380 S CA 2.008 60.248 58.200 0.066 0.000 1.066 380 S CB -1.051 62.189 63.200 0.067 0.000 0.890 380 S HN 0.756 nan 8.310 nan 0.000 0.465 381 E N 0.971 121.112 120.200 -0.099 0.000 2.030 381 E HA 0.044 4.394 4.350 -0.000 0.000 0.189 381 E C 2.597 179.117 176.600 -0.134 0.000 0.974 381 E CA 0.546 56.883 56.400 -0.104 0.000 0.807 381 E CB -0.177 29.461 29.700 -0.103 0.000 0.771 381 E HN 0.486 nan 8.360 nan 0.000 0.451 382 R N 0.676 121.041 120.500 -0.226 0.000 2.159 382 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 382 R C 2.257 178.419 176.300 -0.230 0.000 1.131 382 R CA 0.929 56.900 56.100 -0.214 0.000 0.982 382 R CB -0.253 29.772 30.300 -0.458 0.000 0.868 382 R HN 0.108 nan 8.270 nan 0.000 0.453 383 A N 1.156 123.720 122.820 -0.427 0.000 1.873 383 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 383 A C 2.141 179.647 177.584 -0.130 0.000 1.186 383 A CA 1.291 53.122 52.037 -0.344 0.000 0.616 383 A CB -0.438 18.366 19.000 -0.326 0.000 0.823 383 A HN 0.225 nan 8.150 nan 0.000 0.442 384 R N -0.685 119.757 120.500 -0.097 0.000 2.091 384 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 384 R C 2.156 178.437 176.300 -0.032 0.000 1.136 384 R CA 2.249 58.321 56.100 -0.047 0.000 0.959 384 R CB -0.630 29.648 30.300 -0.037 0.000 0.856 384 R HN 0.510 nan 8.270 nan 0.000 0.437 385 T N 1.554 116.101 114.554 -0.013 0.000 2.674 385 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 385 T C 1.826 176.511 174.700 -0.024 0.000 1.039 385 T CA 1.328 63.428 62.100 -0.001 0.000 1.150 385 T CB -0.124 68.791 68.868 0.080 0.000 0.864 385 T HN 0.109 nan 8.240 nan 0.000 0.427 386 I N 1.331 121.905 120.570 0.007 0.000 2.118 386 I HA -0.110 4.060 4.170 -0.000 0.000 0.241 386 I C 2.203 178.298 176.117 -0.037 0.000 1.070 386 I CA 1.469 62.757 61.300 -0.019 0.000 1.327 386 I CB -1.224 36.767 38.000 -0.014 0.000 1.034 386 I HN 0.269 nan 8.210 nan 0.000 0.405 387 L N 0.491 121.695 121.223 -0.033 0.000 2.700 387 L HA -0.078 4.262 4.340 -0.000 0.000 0.240 387 L C 1.978 178.833 176.870 -0.024 0.000 1.162 387 L CA 0.326 55.152 54.840 -0.025 0.000 0.874 387 L CB -0.471 41.578 42.059 -0.017 0.000 1.001 387 L HN 0.198 nan 8.230 nan 0.000 0.447 388 A N -0.809 121.991 122.820 -0.033 0.000 2.382 388 A HA 0.293 4.613 4.320 -0.000 0.000 0.228 388 A C 0.827 178.387 177.584 -0.039 0.000 1.217 388 A CA -0.375 51.642 52.037 -0.032 0.000 0.923 388 A CB 0.232 19.212 19.000 -0.033 0.000 0.979 388 A HN 0.207 nan 8.150 nan 0.000 0.515 389 L N 1.319 122.513 121.223 -0.048 0.000 2.530 389 L HA 0.038 4.378 4.340 -0.000 0.000 0.273 389 L C 1.209 178.059 176.870 -0.034 0.000 1.141 389 L CA -0.500 54.309 54.840 -0.052 0.000 0.905 389 L CB 0.519 42.541 42.059 -0.062 0.000 1.202 389 L HN 0.369 nan 8.230 nan 0.000 0.473 390 Q N 2.116 121.897 119.800 -0.031 0.000 2.297 390 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 390 Q C 1.356 177.346 176.000 -0.017 0.000 0.962 390 Q CA 0.970 56.761 55.803 -0.020 0.000 0.879 390 Q CB -0.013 28.714 28.738 -0.019 0.000 0.947 390 Q HN 0.700 nan 8.270 nan 0.000 0.462 391 N N 0.621 119.308 118.700 -0.022 0.000 2.004 391 N HA -0.118 4.622 4.740 -0.000 0.000 0.196 391 N C 0.687 176.192 175.510 -0.008 0.000 1.064 391 N CA 1.124 54.164 53.050 -0.017 0.000 0.855 391 N CB -0.583 37.890 38.487 -0.024 0.000 1.056 391 N HN 0.060 nan 8.380 nan 0.000 0.423 392 V N 1.733 121.642 119.914 -0.008 0.000 2.715 392 V HA 0.118 4.238 4.120 -0.000 0.000 0.299 392 V C 0.335 176.432 176.094 0.006 0.000 1.054 392 V CA -0.988 61.314 62.300 0.005 0.000 1.077 392 V CB 0.502 32.330 31.823 0.009 0.000 0.972 392 V HN 0.326 nan 8.190 nan 0.000 0.484 393 D N 3.377 123.786 120.400 0.015 0.000 2.362 393 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 393 D C 1.130 177.439 176.300 0.016 0.000 1.132 393 D CA -0.664 53.345 54.000 0.015 0.000 0.907 393 D CB 1.685 42.497 40.800 0.019 0.000 1.195 393 D HN 0.345 nan 8.370 nan 0.000 0.429 394 L N 2.425 123.656 121.223 0.013 0.000 2.064 394 L HA -0.395 3.945 4.340 -0.000 0.000 0.234 394 L C 1.951 178.831 176.870 0.017 0.000 1.103 394 L CA 2.213 57.061 54.840 0.013 0.000 0.824 394 L CB -1.125 40.944 42.059 0.015 0.000 0.919 394 L HN 0.525 nan 8.230 nan 0.000 0.447 395 N N -0.579 118.138 118.700 0.028 0.000 2.037 395 N HA -0.239 4.501 4.740 -0.000 0.000 0.196 395 N C 1.818 177.352 175.510 0.039 0.000 1.034 395 N CA 2.124 55.197 53.050 0.038 0.000 0.861 395 N CB -0.542 37.976 38.487 0.051 0.000 1.039 395 N HN 0.326 nan 8.380 nan 0.000 0.427 396 I N 1.755 122.357 120.570 0.054 0.000 2.208 396 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 396 I C 2.441 178.544 176.117 -0.024 0.000 1.097 396 I CA 1.052 62.397 61.300 0.074 0.000 1.363 396 I CB -0.435 37.630 38.000 0.108 0.000 1.051 396 I HN 0.104 nan 8.210 nan 0.000 0.413 397 R N 0.371 120.858 120.500 -0.022 0.000 2.082 397 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 397 R C 2.277 178.535 176.300 -0.070 0.000 1.136 397 R CA 1.589 57.659 56.100 -0.051 0.000 0.935 397 R CB -0.524 29.761 30.300 -0.026 0.000 0.842 397 R HN 0.336 nan 8.270 nan 0.000 0.430 398 K N 0.728 121.108 120.400 -0.033 0.000 2.034 398 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 398 K C 2.221 178.781 176.600 -0.067 0.000 1.051 398 K CA 1.508 57.785 56.287 -0.017 0.000 0.931 398 K CB -0.321 32.187 32.500 0.013 0.000 0.715 398 K HN 0.148 nan 8.250 nan 0.000 0.446 399 L N 0.901 122.058 121.223 -0.111 0.000 1.989 399 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 399 L C 2.469 179.063 176.870 -0.460 0.000 1.071 399 L CA 1.397 56.091 54.840 -0.243 0.000 0.749 399 L CB -0.595 41.391 42.059 -0.122 0.000 0.890 399 L HN 0.264 nan 8.230 nan 0.000 0.431 400 I N -0.672 119.571 120.570 -0.545 0.000 2.151 400 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 400 I C 2.547 178.537 176.117 -0.211 0.000 1.080 400 I CA 1.414 62.380 61.300 -0.558 0.000 1.339 400 I CB -0.454 37.302 38.000 -0.407 0.000 1.039 400 I HN 0.079 nan 8.210 nan 0.000 0.409 401 V N 0.878 120.749 119.914 -0.071 0.000 2.231 401 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 401 V C 2.590 178.860 176.094 0.293 0.000 1.054 401 V CA 2.050 64.436 62.300 0.142 0.000 1.015 401 V CB -0.820 31.098 31.823 0.158 0.000 0.638 401 V HN 0.384 nan 8.190 nan 0.000 0.444 402 R N -0.838 119.728 120.500 0.109 0.000 2.097 402 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 402 R C 2.379 178.766 176.300 0.146 0.000 1.135 402 R CA 2.249 58.410 56.100 0.101 0.000 0.934 402 R CB -0.764 29.526 30.300 -0.017 0.000 0.846 402 R HN 0.705 nan 8.270 nan 0.000 0.431 403 H N 0.040 118.847 119.070 -0.439 0.000 2.352 403 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 403 H C 2.139 177.542 175.328 0.126 0.000 1.097 403 H CA 1.365 57.235 56.048 -0.296 0.000 1.311 403 H CB 0.121 29.569 29.762 -0.524 0.000 1.377 403 H HN 0.088 nan 8.280 nan 0.000 0.504 404 L N -0.023 121.323 121.223 0.204 0.000 2.093 404 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 404 L C 2.264 179.373 176.870 0.398 0.000 1.085 404 L CA 1.712 56.698 54.840 0.242 0.000 0.755 404 L CB -0.730 41.481 42.059 0.253 0.000 0.904 404 L HN 0.437 nan 8.230 nan 0.000 0.435 405 W N -0.605 120.848 121.300 0.255 0.000 2.335 405 W HA -0.265 4.395 4.660 -0.000 0.000 0.311 405 W C 2.341 178.872 176.519 0.020 0.000 1.213 405 W CA 2.597 59.885 57.345 -0.094 0.000 1.274 405 W CB -0.290 29.104 29.460 -0.111 0.000 1.148 405 W HN -0.029 nan 8.180 nan 0.000 0.498 406 V N 1.103 121.397 119.914 0.633 0.000 2.287 406 V HA -0.371 3.749 4.120 -0.000 0.000 0.248 406 V C 2.200 178.440 176.094 0.242 0.000 1.053 406 V CA 1.890 64.504 62.300 0.522 0.000 1.027 406 V CB -1.031 31.163 31.823 0.619 0.000 0.646 406 V HN 0.197 nan 8.190 nan 0.000 0.447 407 I N 0.244 120.945 120.570 0.218 0.000 2.286 407 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 407 I C 2.513 178.639 176.117 0.016 0.000 1.115 407 I CA 1.930 63.255 61.300 0.041 0.000 1.392 407 I CB -1.754 36.226 38.000 -0.034 0.000 1.065 407 I HN 0.351 nan 8.210 nan 0.000 0.418 408 T N 1.099 115.655 114.554 0.004 0.000 2.777 408 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 408 T C 2.130 176.758 174.700 -0.119 0.000 1.040 408 T CA 1.879 63.983 62.100 0.008 0.000 1.141 408 T CB -0.284 68.551 68.868 -0.054 0.000 0.868 408 T HN 0.556 nan 8.240 nan 0.000 0.444 409 S N 2.303 117.775 115.700 -0.380 0.000 2.356 409 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 409 S C 2.125 176.678 174.600 -0.079 0.000 1.032 409 S CA 0.922 58.880 58.200 -0.404 0.000 1.005 409 S CB -1.033 61.804 63.200 -0.605 0.000 0.867 409 S HN 0.426 nan 8.310 nan 0.000 0.449 410 L N 0.858 122.102 121.223 0.036 0.000 2.081 410 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 410 L C 2.694 179.641 176.870 0.127 0.000 1.080 410 L CA 1.568 56.511 54.840 0.172 0.000 0.754 410 L CB -0.700 41.414 42.059 0.092 0.000 0.893 410 L HN 0.363 nan 8.230 nan 0.000 0.433 411 I N -0.243 120.393 120.570 0.110 0.000 2.142 411 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 411 I C 2.818 178.864 176.117 -0.119 0.000 1.078 411 I CA 1.211 62.564 61.300 0.089 0.000 1.343 411 I CB -0.480 37.603 38.000 0.138 0.000 1.046 411 I HN 0.217 nan 8.210 nan 0.000 0.405 412 A N 0.282 123.107 122.820 0.009 0.000 1.997 412 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 412 A C 2.355 179.940 177.584 0.001 0.000 1.172 412 A CA 2.144 54.212 52.037 0.052 0.000 0.645 412 A CB -0.865 18.195 19.000 0.099 0.000 0.813 412 A HN 0.313 nan 8.150 nan 0.000 0.454 413 V N -2.248 117.654 119.914 -0.020 0.000 2.374 413 V HA -0.076 4.044 4.120 -0.000 0.000 0.241 413 V C 2.154 178.136 176.094 -0.185 0.000 1.034 413 V CA 1.540 63.801 62.300 -0.064 0.000 1.037 413 V CB -0.883 30.913 31.823 -0.044 0.000 0.682 413 V HN 0.523 nan 8.190 nan 0.000 0.463 414 F N 1.479 121.192 119.950 -0.395 0.000 2.325 414 F HA 0.095 4.622 4.527 -0.000 0.000 0.299 414 F C 2.252 177.790 175.800 -0.437 0.000 1.090 414 F CA 1.360 58.999 58.000 -0.601 0.000 1.392 414 F CB -0.620 37.459 39.000 -1.534 0.000 1.053 414 F HN 0.226 nan 8.300 nan 0.000 0.521 415 G N -0.852 107.782 108.800 -0.277 0.000 2.838 415 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.210 415 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.210 415 G C 1.602 176.574 174.900 0.120 0.000 1.153 415 G CA -0.178 44.824 45.100 -0.162 0.000 0.778 415 G HN 0.173 nan 8.290 nan 0.000 0.539 416 R N -0.418 120.067 120.500 -0.025 0.000 2.154 416 R HA -0.171 4.169 4.340 -0.000 0.000 0.248 416 R C 1.031 177.211 176.300 -0.199 0.000 1.155 416 R CA 1.398 57.429 56.100 -0.115 0.000 0.979 416 R CB -0.410 29.646 30.300 -0.407 0.000 0.869 416 R HN 0.536 nan 8.270 nan 0.000 0.452 417 Y N -1.348 119.061 120.300 0.183 0.000 2.495 417 Y HA 0.056 4.606 4.550 -0.000 0.000 0.293 417 Y C 0.008 176.039 175.900 0.219 0.000 1.186 417 Y CA -0.837 57.358 58.100 0.158 0.000 1.266 417 Y CB -0.334 38.183 38.460 0.094 0.000 1.101 417 Y HN 0.008 nan 8.280 nan 0.000 0.517 418 Y N 2.798 123.224 120.300 0.208 0.000 2.677 418 Y HA 0.218 4.768 4.550 -0.000 0.000 0.335 418 Y C 0.272 176.247 175.900 0.125 0.000 1.162 418 Y CA -0.728 57.487 58.100 0.192 0.000 1.483 418 Y CB 0.054 38.667 38.460 0.255 0.000 1.209 418 Y HN 0.204 nan 8.280 nan 0.000 0.528 419 R N 7.977 128.359 120.500 -0.197 0.000 3.039 419 R HA 0.309 4.649 4.340 -0.000 0.000 0.264 419 R C -2.771 173.396 176.300 -0.221 0.000 1.708 419 R CA -1.079 54.860 56.100 -0.268 0.000 1.134 419 R CB 0.807 31.061 30.300 -0.076 0.000 1.386 419 R HN 0.378 nan 8.270 nan 0.000 0.477 420 P HA 0.126 nan 4.420 nan 0.000 0.267 420 P C -0.418 176.833 177.300 -0.082 0.000 1.289 420 P CA -0.117 62.895 63.100 -0.146 0.000 0.866 420 P CB 0.247 31.869 31.700 -0.130 0.000 1.309 421 N N 0.000 118.637 118.700 -0.105 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.012 53.050 -0.064 0.000 0.885 421 N CB 0.000 38.447 38.487 -0.066 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667