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 1o07_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLLVPD EVKSSSDLLR FYQNWQPAWA PGTQRLEANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI XXXSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.543 177.584 -0.069 0.000 1.274 4 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 4 A CB 0.000 19.031 19.000 0.051 0.000 0.831 5 P HA 0.202 nan 4.420 nan 0.000 0.271 5 P C 0.908 178.135 177.300 -0.123 0.000 1.218 5 P CA -0.065 62.942 63.100 -0.154 0.000 0.780 5 P CB 0.781 32.338 31.700 -0.238 0.000 0.901 6 Q N 1.450 121.211 119.800 -0.066 0.000 2.224 6 Q HA -0.221 4.106 4.340 -0.023 0.000 0.203 6 Q C 1.887 177.859 176.000 -0.047 0.000 0.970 6 Q CA 1.200 56.986 55.803 -0.028 0.000 0.865 6 Q CB -0.036 28.694 28.738 -0.015 0.000 0.922 6 Q HN 0.464 nan 8.270 nan 0.000 0.445 7 Q N 0.252 119.995 119.800 -0.095 0.000 2.050 7 Q HA -0.189 4.137 4.340 -0.023 0.000 0.202 7 Q C 2.010 177.920 176.000 -0.151 0.000 0.980 7 Q CA 1.615 57.348 55.803 -0.117 0.000 0.840 7 Q CB -0.086 28.560 28.738 -0.153 0.000 0.898 7 Q HN 0.519 nan 8.270 nan 0.000 0.424 8 I N 0.740 121.172 120.570 -0.231 0.000 2.226 8 I HA -0.304 3.853 4.170 -0.023 0.000 0.245 8 I C 1.737 177.797 176.117 -0.095 0.000 1.100 8 I CA 1.440 62.604 61.300 -0.227 0.000 1.374 8 I CB -0.342 37.437 38.000 -0.369 0.000 1.057 8 I HN 0.286 nan 8.210 nan 0.000 0.413 9 N N 0.494 119.213 118.700 0.031 0.000 2.188 9 N HA -0.176 4.550 4.740 -0.023 0.000 0.184 9 N C 1.288 176.885 175.510 0.144 0.000 1.018 9 N CA 1.161 54.332 53.050 0.203 0.000 0.858 9 N CB -0.032 38.626 38.487 0.285 0.000 0.989 9 N HN 0.275 nan 8.380 nan 0.000 0.426 10 D N 0.758 121.193 120.400 0.057 0.000 2.149 10 D HA 0.006 4.632 4.640 -0.023 0.000 0.201 10 D C 1.916 178.226 176.300 0.017 0.000 0.972 10 D CA 0.557 54.590 54.000 0.054 0.000 0.835 10 D CB -0.092 40.719 40.800 0.018 0.000 0.966 10 D HN 0.252 nan 8.370 nan 0.000 0.476 11 I N 0.209 120.752 120.570 -0.044 0.000 2.226 11 I HA -0.215 3.941 4.170 -0.023 0.000 0.245 11 I C 2.277 178.338 176.117 -0.093 0.000 1.100 11 I CA 0.652 61.914 61.300 -0.064 0.000 1.374 11 I CB 0.048 37.994 38.000 -0.089 0.000 1.057 11 I HN -0.102 nan 8.210 nan 0.000 0.413 12 V N -0.168 119.627 119.914 -0.199 0.000 2.346 12 V HA -0.229 3.877 4.120 -0.023 0.000 0.244 12 V C 2.430 178.396 176.094 -0.214 0.000 1.037 12 V CA 1.593 63.697 62.300 -0.326 0.000 1.029 12 V CB -0.780 30.537 31.823 -0.842 0.000 0.663 12 V HN 0.403 nan 8.190 nan 0.000 0.454 13 H N 1.020 120.056 119.070 -0.057 0.000 2.423 13 H HA -0.098 4.444 4.556 -0.023 0.000 0.297 13 H C 2.473 177.826 175.328 0.041 0.000 1.075 13 H CA 1.850 57.965 56.048 0.112 0.000 1.342 13 H CB -0.024 29.819 29.762 0.134 0.000 1.395 13 H HN 0.484 nan 8.280 nan 0.000 0.530 14 R N 0.255 120.820 120.500 0.109 0.000 2.193 14 R HA -0.013 4.313 4.340 -0.023 0.000 0.213 14 R C 1.403 177.710 176.300 0.012 0.000 1.055 14 R CA 1.365 57.499 56.100 0.056 0.000 0.995 14 R CB -0.216 30.109 30.300 0.041 0.000 0.893 14 R HN 0.001 nan 8.270 nan 0.000 0.459 15 T N 1.141 115.685 114.554 -0.017 0.000 2.953 15 T HA 0.167 4.504 4.350 -0.023 0.000 0.247 15 T C 1.822 176.462 174.700 -0.101 0.000 1.029 15 T CA 0.466 62.544 62.100 -0.037 0.000 1.144 15 T CB 0.158 69.011 68.868 -0.024 0.000 0.870 15 T HN 0.046 nan 8.240 nan 0.000 0.446 16 I N 1.544 122.002 120.570 -0.187 0.000 2.494 16 I HA -0.012 4.144 4.170 -0.023 0.000 0.250 16 I C 2.576 178.423 176.117 -0.451 0.000 1.112 16 I CA 1.060 62.123 61.300 -0.394 0.000 1.438 16 I CB -1.720 35.864 38.000 -0.694 0.000 1.111 16 I HN 0.209 nan 8.210 nan 0.000 0.431 17 T N 2.736 117.114 114.554 -0.293 0.000 2.597 17 T HA -0.133 4.203 4.350 -0.023 0.000 0.267 17 T C -0.343 174.273 174.700 -0.140 0.000 1.053 17 T CA 2.117 64.113 62.100 -0.174 0.000 1.165 17 T CB -1.396 67.503 68.868 0.052 0.000 0.863 17 T HN 0.222 nan 8.240 nan 0.000 0.427 18 P HA 0.047 nan 4.420 nan 0.000 0.221 18 P C 1.532 178.769 177.300 -0.106 0.000 1.150 18 P CA 0.392 63.447 63.100 -0.075 0.000 0.800 18 P CB -0.127 31.550 31.700 -0.039 0.000 0.787 19 L N -0.619 120.513 121.223 -0.152 0.000 2.046 19 L HA -0.120 4.206 4.340 -0.023 0.000 0.208 19 L C 2.100 178.818 176.870 -0.253 0.000 1.077 19 L CA 1.797 56.525 54.840 -0.185 0.000 0.747 19 L CB -1.039 40.898 42.059 -0.203 0.000 0.896 19 L HN -0.139 nan 8.230 nan 0.000 0.432 20 I N -0.570 119.826 120.570 -0.291 0.000 2.226 20 I HA -0.245 3.911 4.170 -0.023 0.000 0.245 20 I C 2.421 178.442 176.117 -0.160 0.000 1.100 20 I CA 1.376 62.518 61.300 -0.264 0.000 1.374 20 I CB -0.232 37.589 38.000 -0.297 0.000 1.057 20 I HN 0.325 nan 8.210 nan 0.000 0.413 21 E N 0.692 120.820 120.200 -0.120 0.000 2.152 21 E HA -0.187 4.149 4.350 -0.023 0.000 0.192 21 E C 2.130 178.693 176.600 -0.063 0.000 0.983 21 E CA 1.183 57.541 56.400 -0.070 0.000 0.818 21 E CB 0.056 29.729 29.700 -0.045 0.000 0.758 21 E HN 0.429 nan 8.360 nan 0.000 0.467 22 Q N -0.765 118.991 119.800 -0.073 0.000 2.137 22 Q HA -0.022 4.304 4.340 -0.023 0.000 0.198 22 Q C 1.491 177.460 176.000 -0.051 0.000 0.960 22 Q CA 0.922 56.694 55.803 -0.051 0.000 0.847 22 Q CB 0.251 28.963 28.738 -0.043 0.000 0.915 22 Q HN 0.198 nan 8.270 nan 0.000 0.448 23 Q N 0.114 119.858 119.800 -0.093 0.000 2.319 23 Q HA 0.084 4.410 4.340 -0.023 0.000 0.202 23 Q C -0.363 175.594 176.000 -0.071 0.000 0.896 23 Q CA 0.164 55.915 55.803 -0.086 0.000 0.942 23 Q CB 0.695 29.308 28.738 -0.209 0.000 1.083 23 Q HN 0.252 nan 8.270 nan 0.000 0.510 24 K N 0.874 121.231 120.400 -0.073 0.000 3.077 24 K HA -0.182 4.125 4.320 -0.023 0.000 0.264 24 K C -0.436 176.132 176.600 -0.054 0.000 1.008 24 K CA 0.316 56.571 56.287 -0.054 0.000 0.740 24 K CB -2.048 30.432 32.500 -0.033 0.000 1.273 24 K HN 0.287 nan 8.250 nan 0.000 0.477 25 I N 1.127 121.645 120.570 -0.087 0.000 2.517 25 I HA -0.010 4.147 4.170 -0.023 0.000 0.285 25 I C -0.895 175.223 176.117 0.002 0.000 1.106 25 I CA -1.871 59.394 61.300 -0.058 0.000 1.402 25 I CB 0.665 38.569 38.000 -0.160 0.000 1.399 25 I HN 0.003 nan 8.210 nan 0.000 0.535 26 P HA -0.022 nan 4.420 nan 0.000 0.217 26 P C 0.348 177.757 177.300 0.182 0.000 1.150 26 P CA 0.529 63.647 63.100 0.029 0.000 0.832 26 P CB 0.306 31.927 31.700 -0.132 0.000 0.787 27 G N -1.220 107.723 108.800 0.239 0.000 2.766 27 G HA2 0.637 4.583 3.960 -0.023 0.000 0.297 27 G HA3 0.637 4.583 3.960 -0.023 0.000 0.297 27 G C -1.944 173.218 174.900 0.437 0.000 1.431 27 G CA -0.324 44.987 45.100 0.351 0.000 1.042 27 G HN 0.009 nan 8.290 nan 0.000 0.542 28 M N 1.620 121.509 119.600 0.481 0.000 2.421 28 M HA 0.745 5.211 4.480 -0.023 0.000 0.287 28 M C -1.110 175.516 176.300 0.544 0.000 1.183 28 M CA -0.522 55.039 55.300 0.435 0.000 0.916 28 M CB 2.317 35.058 32.600 0.235 0.000 1.701 28 M HN 0.949 nan 8.290 nan 0.000 0.470 29 A N 3.490 126.486 122.820 0.293 0.000 2.355 29 A HA 0.871 5.178 4.320 -0.023 0.000 0.317 29 A C -1.626 176.143 177.584 0.307 0.000 1.094 29 A CA -0.626 51.601 52.037 0.317 0.000 0.764 29 A CB 1.583 20.709 19.000 0.211 0.000 1.230 29 A HN 0.614 nan 8.150 nan 0.000 0.448 30 V N 1.041 121.233 119.914 0.464 0.000 2.656 30 V HA 0.769 4.875 4.120 -0.023 0.000 0.307 30 V C 0.193 176.564 176.094 0.462 0.000 1.051 30 V CA -0.305 62.257 62.300 0.436 0.000 0.893 30 V CB 1.763 33.884 31.823 0.497 0.000 0.999 30 V HN 1.324 nan 8.190 nan 0.000 0.426 31 A N 4.020 127.055 122.820 0.358 0.000 2.331 31 A HA 0.866 5.173 4.320 -0.023 0.000 0.320 31 A C -0.948 176.769 177.584 0.222 0.000 1.138 31 A CA -0.552 51.652 52.037 0.279 0.000 0.790 31 A CB 1.613 20.761 19.000 0.247 0.000 1.206 31 A HN 0.666 nan 8.150 nan 0.000 0.470 32 V N 4.401 124.453 119.914 0.230 0.000 2.384 32 V HA 0.286 4.393 4.120 -0.023 0.000 0.287 32 V C -0.290 175.905 176.094 0.169 0.000 1.020 32 V CA -0.605 61.817 62.300 0.204 0.000 0.850 32 V CB 1.287 33.257 31.823 0.246 0.000 0.987 32 V HN 0.708 nan 8.190 nan 0.000 0.436 33 I N 5.260 125.889 120.570 0.097 0.000 2.441 33 I HA 0.311 4.468 4.170 -0.023 0.000 0.287 33 I C -0.538 175.686 176.117 0.179 0.000 1.049 33 I CA -0.201 61.141 61.300 0.071 0.000 1.381 33 I CB 0.400 38.376 38.000 -0.040 0.000 1.409 33 I HN 0.709 nan 8.210 nan 0.000 0.523 34 Y N 5.766 126.117 120.300 0.086 0.000 2.307 34 Y HA 0.240 4.776 4.550 -0.023 0.000 0.323 34 Y C 0.146 176.096 175.900 0.082 0.000 1.100 34 Y CA -0.738 57.419 58.100 0.096 0.000 1.140 34 Y CB 0.968 39.518 38.460 0.150 0.000 1.159 34 Y HN 0.736 nan 8.280 nan 0.000 0.436 35 Q N 4.413 123.933 119.800 -0.466 0.000 2.481 35 Q HA -0.277 4.049 4.340 -0.023 0.000 0.272 35 Q C 1.111 177.015 176.000 -0.160 0.000 1.157 35 Q CA 1.388 56.984 55.803 -0.345 0.000 0.935 35 Q CB -1.593 26.899 28.738 -0.409 0.000 1.338 35 Q HN 1.510 nan 8.270 nan 0.000 0.494 36 G N -0.796 107.929 108.800 -0.124 0.000 2.258 36 G HA2 -0.294 3.652 3.960 -0.023 0.000 0.233 36 G HA3 -0.294 3.652 3.960 -0.023 0.000 0.233 36 G C 0.123 174.962 174.900 -0.101 0.000 1.006 36 G CA 0.305 45.338 45.100 -0.112 0.000 0.620 36 G HN 0.180 nan 8.290 nan 0.000 0.511 37 K N 2.017 122.365 120.400 -0.086 0.000 2.143 37 K HA 0.472 4.778 4.320 -0.023 0.000 0.272 37 K C -2.506 173.892 176.600 -0.337 0.000 1.001 37 K CA -1.523 54.650 56.287 -0.190 0.000 0.915 37 K CB 2.295 34.682 32.500 -0.189 0.000 1.047 37 K HN 0.187 nan 8.250 nan 0.000 0.458 38 P HA 0.268 nan 4.420 nan 0.000 0.284 38 P C -1.450 175.190 177.300 -1.100 0.000 1.258 38 P CA -0.436 62.294 63.100 -0.617 0.000 0.824 38 P CB 0.653 32.031 31.700 -0.536 0.000 1.038 39 Y N 0.227 120.201 120.300 -0.542 0.000 2.386 39 Y HA 0.442 4.978 4.550 -0.023 0.000 0.334 39 Y C -0.253 175.273 175.900 -0.624 0.000 1.002 39 Y CA -0.419 57.387 58.100 -0.491 0.000 1.068 39 Y CB 1.763 40.143 38.460 -0.133 0.000 1.203 39 Y HN 0.280 nan 8.280 nan 0.000 0.443 40 Y N 2.501 122.606 120.300 -0.324 0.000 2.509 40 Y HA 0.755 5.291 4.550 -0.022 0.000 0.341 40 Y C -1.030 174.380 175.900 -0.816 0.000 1.038 40 Y CA -1.285 56.631 58.100 -0.307 0.000 1.089 40 Y CB 1.866 40.225 38.460 -0.168 0.000 1.241 40 Y HN 0.402 nan 8.280 nan 0.000 0.468 41 F N 0.217 120.225 119.950 0.096 0.000 2.588 41 F HA 0.525 5.038 4.527 -0.023 0.000 0.318 41 F C -0.488 175.096 175.800 -0.359 0.000 1.155 41 F CA -0.914 56.929 58.000 -0.262 0.000 0.967 41 F CB 2.296 41.079 39.000 -0.362 0.000 1.236 41 F HN 0.384 nan 8.300 nan 0.000 0.455 42 T N -1.175 113.122 114.554 -0.429 0.000 2.906 42 T HA 0.735 5.072 4.350 -0.023 0.000 0.295 42 T C -1.480 172.967 174.700 -0.423 0.000 1.061 42 T CA -0.750 61.229 62.100 -0.201 0.000 1.000 42 T CB 2.105 70.974 68.868 0.001 0.000 1.103 42 T HN 0.595 nan 8.240 nan 0.000 0.486 43 W N -0.055 121.335 121.300 0.150 0.000 3.167 43 W HA 0.506 5.151 4.660 -0.024 0.000 0.324 43 W C 0.766 177.334 176.519 0.081 0.000 1.230 43 W CA -0.279 57.131 57.345 0.108 0.000 1.184 43 W CB 1.505 31.035 29.460 0.116 0.000 1.414 43 W HN 1.360 nan 8.180 nan 0.000 0.551 44 G N 1.073 110.030 108.800 0.262 0.000 2.569 44 G HA2 -0.298 3.648 3.960 -0.023 0.000 0.259 44 G HA3 -0.298 3.648 3.960 -0.023 0.000 0.259 44 G C -1.658 173.173 174.900 -0.114 0.000 1.263 44 G CA -0.121 45.077 45.100 0.163 0.000 0.928 44 G HN 0.523 nan 8.290 nan 0.000 0.572 45 Y N -0.254 120.133 120.300 0.146 0.000 2.446 45 Y HA 0.612 5.149 4.550 -0.020 0.000 0.345 45 Y C 1.259 177.260 175.900 0.169 0.000 0.984 45 Y CA -0.018 58.160 58.100 0.129 0.000 1.058 45 Y CB 2.102 40.605 38.460 0.072 0.000 1.220 45 Y HN 0.830 nan 8.280 nan 0.000 0.455 46 A N 0.647 123.646 122.820 0.297 0.000 2.030 46 A HA 0.055 4.361 4.320 -0.023 0.000 0.215 46 A C 0.025 177.820 177.584 0.352 0.000 1.164 46 A CA 1.041 53.214 52.037 0.226 0.000 0.697 46 A CB 0.166 19.227 19.000 0.102 0.000 0.827 46 A HN 0.638 nan 8.150 nan 0.000 0.457 47 D N -1.023 119.618 120.400 0.401 0.000 2.478 47 D HA 0.355 4.981 4.640 -0.023 0.000 0.240 47 D C 0.540 177.015 176.300 0.291 0.000 1.364 47 D CA -0.419 53.840 54.000 0.432 0.000 0.987 47 D CB 0.653 41.686 40.800 0.389 0.000 1.328 47 D HN 0.100 nan 8.370 nan 0.000 0.584 48 I N 2.033 122.713 120.570 0.183 0.000 2.226 48 I HA -0.221 3.936 4.170 -0.023 0.000 0.245 48 I C 2.421 178.466 176.117 -0.119 0.000 1.100 48 I CA 1.342 62.561 61.300 -0.134 0.000 1.374 48 I CB -0.007 37.801 38.000 -0.319 0.000 1.057 48 I HN 0.430 nan 8.210 nan 0.000 0.413 49 A N 0.710 123.510 122.820 -0.033 0.000 1.898 49 A HA -0.159 4.147 4.320 -0.023 0.000 0.216 49 A C 2.157 179.730 177.584 -0.017 0.000 1.181 49 A CA 1.407 53.412 52.037 -0.053 0.000 0.620 49 A CB -0.326 18.630 19.000 -0.075 0.000 0.819 49 A HN 0.343 nan 8.150 nan 0.000 0.442 50 K N -0.605 119.820 120.400 0.041 0.000 2.444 50 K HA 0.110 4.417 4.320 -0.023 0.000 0.193 50 K C -0.341 176.325 176.600 0.110 0.000 1.024 50 K CA 0.243 56.574 56.287 0.073 0.000 1.077 50 K CB 0.119 32.682 32.500 0.105 0.000 0.833 50 K HN 0.451 nan 8.250 nan 0.000 0.517 51 K N 0.966 121.437 120.400 0.119 0.000 3.088 51 K HA -0.172 4.134 4.320 -0.023 0.000 0.273 51 K C -0.668 176.173 176.600 0.402 0.000 1.111 51 K CA 0.623 57.057 56.287 0.247 0.000 0.803 51 K CB -1.128 31.472 32.500 0.166 0.000 1.226 51 K HN 0.200 nan 8.250 nan 0.000 0.485 52 Q N 0.731 120.730 119.800 0.331 0.000 2.296 52 Q HA 0.188 4.514 4.340 -0.023 0.000 0.262 52 Q C -2.056 174.055 176.000 0.185 0.000 0.981 52 Q CA -1.612 54.323 55.803 0.220 0.000 0.905 52 Q CB 0.702 29.547 28.738 0.178 0.000 1.186 52 Q HN 0.150 nan 8.270 nan 0.000 0.399 53 P HA 0.123 nan 4.420 nan 0.000 0.276 53 P C -0.268 177.022 177.300 -0.017 0.000 1.244 53 P CA -0.459 62.540 63.100 -0.168 0.000 0.801 53 P CB 0.890 32.481 31.700 -0.182 0.000 1.006 54 V N 1.879 121.805 119.914 0.020 0.000 2.572 54 V HA 0.217 4.323 4.120 -0.023 0.000 0.291 54 V C 1.262 177.405 176.094 0.082 0.000 1.039 54 V CA 0.684 63.061 62.300 0.128 0.000 1.055 54 V CB 0.130 32.129 31.823 0.294 0.000 0.969 54 V HN 0.864 nan 8.190 nan 0.000 0.482 55 T N 1.354 115.960 114.554 0.086 0.000 2.858 55 T HA 0.358 4.695 4.350 -0.023 0.000 0.285 55 T C 0.561 175.297 174.700 0.061 0.000 1.052 55 T CA -0.728 61.396 62.100 0.041 0.000 1.009 55 T CB 1.616 70.484 68.868 0.001 0.000 1.241 55 T HN 0.443 nan 8.240 nan 0.000 0.542 56 Q N -0.389 119.397 119.800 -0.023 0.000 2.364 56 Q HA -0.080 4.246 4.340 -0.023 0.000 0.209 56 Q C 1.418 177.381 176.000 -0.063 0.000 0.977 56 Q CA 1.285 57.027 55.803 -0.101 0.000 0.885 56 Q CB -0.165 28.404 28.738 -0.281 0.000 0.941 56 Q HN 0.565 nan 8.270 nan 0.000 0.464 57 Q N -0.722 119.057 119.800 -0.034 0.000 2.282 57 Q HA 0.097 4.423 4.340 -0.023 0.000 0.206 57 Q C -0.234 175.765 176.000 -0.001 0.000 0.878 57 Q CA 0.179 55.954 55.803 -0.047 0.000 0.944 57 Q CB 0.929 29.596 28.738 -0.117 0.000 1.100 57 Q HN 0.061 nan 8.270 nan 0.000 0.509 58 T N 1.425 116.016 114.554 0.061 0.000 2.871 58 T HA 0.109 4.446 4.350 -0.023 0.000 0.296 58 T C 0.009 174.760 174.700 0.085 0.000 0.998 58 T CA 0.191 62.312 62.100 0.036 0.000 1.162 58 T CB 0.149 69.025 68.868 0.015 0.000 0.947 58 T HN 0.167 nan 8.240 nan 0.000 0.536 59 L N 4.362 125.590 121.223 0.010 0.000 2.290 59 L HA 0.473 4.800 4.340 -0.023 0.000 0.284 59 L C -0.356 176.513 176.870 -0.001 0.000 1.078 59 L CA -0.416 54.452 54.840 0.048 0.000 0.815 59 L CB 0.310 42.337 42.059 -0.054 0.000 1.162 59 L HN 0.534 nan 8.230 nan 0.000 0.435 60 F N 0.720 120.723 119.950 0.088 0.000 2.522 60 F HA 0.348 4.862 4.527 -0.021 0.000 0.324 60 F C 0.436 176.047 175.800 -0.315 0.000 1.077 60 F CA -0.851 57.172 58.000 0.039 0.000 0.944 60 F CB 1.487 40.637 39.000 0.249 0.000 1.175 60 F HN 0.401 nan 8.300 nan 0.000 0.468 61 E N 3.095 122.829 120.200 -0.778 0.000 2.257 61 E HA 0.138 4.475 4.350 -0.023 0.000 0.278 61 E C 0.511 177.054 176.600 -0.096 0.000 1.049 61 E CA -0.035 56.065 56.400 -0.499 0.000 0.876 61 E CB 0.804 30.085 29.700 -0.698 0.000 1.035 61 E HN 0.626 nan 8.360 nan 0.000 0.419 62 L N 2.928 124.161 121.223 0.017 0.000 2.418 62 L HA 0.029 4.355 4.340 -0.023 0.000 0.218 62 L C 1.560 178.521 176.870 0.152 0.000 1.125 62 L CA 0.497 55.409 54.840 0.119 0.000 0.835 62 L CB -0.908 41.226 42.059 0.125 0.000 0.953 62 L HN 0.920 nan 8.230 nan 0.000 0.454 63 G N 0.635 109.524 108.800 0.148 0.000 2.651 63 G HA2 -0.419 3.528 3.960 -0.023 0.000 0.315 63 G HA3 -0.419 3.528 3.960 -0.023 0.000 0.315 63 G C 0.955 175.977 174.900 0.204 0.000 1.258 63 G CA 0.630 45.843 45.100 0.188 0.000 1.002 63 G HN 0.256 nan 8.290 nan 0.000 0.551 64 S N 0.058 115.860 115.700 0.171 0.000 2.515 64 S HA 0.096 4.552 4.470 -0.023 0.000 0.231 64 S C 2.360 177.054 174.600 0.156 0.000 0.987 64 S CA 1.172 59.473 58.200 0.169 0.000 0.936 64 S CB -0.003 63.274 63.200 0.129 0.000 0.766 64 S HN 0.641 nan 8.310 nan 0.000 0.528 65 V N 1.792 121.799 119.914 0.156 0.000 2.594 65 V HA -0.153 3.953 4.120 -0.023 0.000 0.253 65 V C 2.173 178.366 176.094 0.165 0.000 1.069 65 V CA 1.523 63.902 62.300 0.131 0.000 1.082 65 V CB -0.904 31.020 31.823 0.170 0.000 0.680 65 V HN 0.459 nan 8.190 nan 0.000 0.469 66 S N 0.003 115.834 115.700 0.218 0.000 2.407 66 S HA -0.301 4.155 4.470 -0.023 0.000 0.235 66 S C 1.906 176.661 174.600 0.259 0.000 1.036 66 S CA 1.652 60.017 58.200 0.276 0.000 1.013 66 S CB -0.345 62.963 63.200 0.179 0.000 0.820 66 S HN 0.657 nan 8.310 nan 0.000 0.476 67 K N 0.847 121.353 120.400 0.177 0.000 2.152 67 K HA -0.125 4.181 4.320 -0.023 0.000 0.206 67 K C 2.549 179.182 176.600 0.054 0.000 1.048 67 K CA 1.632 58.010 56.287 0.151 0.000 0.933 67 K CB -0.614 31.994 32.500 0.180 0.000 0.721 67 K HN 0.670 nan 8.250 nan 0.000 0.447 68 T N -0.799 113.679 114.554 -0.127 0.000 2.788 68 T HA -0.147 4.189 4.350 -0.023 0.000 0.268 68 T C 1.790 176.486 174.700 -0.007 0.000 1.044 68 T CA 1.005 62.863 62.100 -0.404 0.000 1.139 68 T CB -0.495 67.728 68.868 -1.075 0.000 0.867 68 T HN 0.063 nan 8.240 nan 0.000 0.454 69 F N 2.140 122.157 119.950 0.111 0.000 2.134 69 F HA -0.009 4.505 4.527 -0.022 0.000 0.299 69 F C 3.072 178.939 175.800 0.113 0.000 1.097 69 F CA 1.517 59.539 58.000 0.037 0.000 1.264 69 F CB -1.163 37.745 39.000 -0.153 0.000 1.001 69 F HN 0.150 nan 8.300 nan 0.000 0.479 70 T N -0.611 114.144 114.554 0.335 0.000 2.821 70 T HA -0.111 4.225 4.350 -0.023 0.000 0.267 70 T C 2.344 177.238 174.700 0.324 0.000 1.046 70 T CA 1.331 63.642 62.100 0.352 0.000 1.139 70 T CB -0.973 68.102 68.868 0.345 0.000 0.871 70 T HN 0.450 nan 8.240 nan 0.000 0.454 71 G N 0.917 109.875 108.800 0.262 0.000 2.418 71 G HA2 -0.147 3.800 3.960 -0.023 0.000 0.217 71 G HA3 -0.147 3.800 3.960 -0.023 0.000 0.217 71 G C 1.674 176.733 174.900 0.265 0.000 1.158 71 G CA 0.716 45.966 45.100 0.250 0.000 0.771 71 G HN 0.435 nan 8.290 nan 0.000 0.545 72 V N 0.538 120.615 119.914 0.272 0.000 2.453 72 V HA -0.072 4.034 4.120 -0.023 0.000 0.247 72 V C 2.639 178.853 176.094 0.201 0.000 1.048 72 V CA 1.402 63.869 62.300 0.278 0.000 1.049 72 V CB -0.296 31.784 31.823 0.429 0.000 0.672 72 V HN 0.336 nan 8.190 nan 0.000 0.457 73 L N 1.387 122.703 121.223 0.156 0.000 2.083 73 L HA -0.020 4.306 4.340 -0.023 0.000 0.209 73 L C 2.303 179.187 176.870 0.022 0.000 1.083 73 L CA 2.373 57.226 54.840 0.023 0.000 0.752 73 L CB -1.200 40.793 42.059 -0.110 0.000 0.899 73 L HN 0.272 nan 8.230 nan 0.000 0.433 74 G N -1.258 107.610 108.800 0.113 0.000 2.408 74 G HA2 -0.175 3.772 3.960 -0.023 0.000 0.217 74 G HA3 -0.175 3.772 3.960 -0.023 0.000 0.217 74 G C 1.523 176.531 174.900 0.180 0.000 1.150 74 G CA 0.509 45.687 45.100 0.129 0.000 0.776 74 G HN 0.576 nan 8.290 nan 0.000 0.542 75 G N 0.656 109.573 108.800 0.196 0.000 2.422 75 G HA2 -0.229 3.717 3.960 -0.023 0.000 0.218 75 G HA3 -0.229 3.717 3.960 -0.023 0.000 0.218 75 G C 1.433 176.390 174.900 0.095 0.000 1.146 75 G CA 1.366 46.558 45.100 0.153 0.000 0.769 75 G HN 0.515 nan 8.290 nan 0.000 0.547 76 D N 0.457 120.900 120.400 0.071 0.000 2.144 76 D HA 0.065 4.691 4.640 -0.023 0.000 0.200 76 D C 2.639 178.943 176.300 0.007 0.000 0.978 76 D CA 1.353 55.372 54.000 0.033 0.000 0.833 76 D CB -0.245 40.566 40.800 0.017 0.000 0.961 76 D HN 0.236 nan 8.370 nan 0.000 0.470 77 A N -0.014 122.799 122.820 -0.012 0.000 1.930 77 A HA -0.072 4.235 4.320 -0.023 0.000 0.217 77 A C 2.281 179.860 177.584 -0.008 0.000 1.175 77 A CA 0.972 52.986 52.037 -0.039 0.000 0.627 77 A CB -0.706 18.236 19.000 -0.096 0.000 0.815 77 A HN 0.385 nan 8.150 nan 0.000 0.443 78 I N -0.246 120.341 120.570 0.029 0.000 2.202 78 I HA -0.245 3.911 4.170 -0.023 0.000 0.242 78 I C 2.907 179.049 176.117 0.041 0.000 1.091 78 I CA 1.091 62.421 61.300 0.050 0.000 1.368 78 I CB -0.287 37.765 38.000 0.087 0.000 1.058 78 I HN 0.323 nan 8.210 nan 0.000 0.410 79 A N 0.639 123.482 122.820 0.038 0.000 2.015 79 A HA -0.154 4.152 4.320 -0.023 0.000 0.219 79 A C 2.323 179.917 177.584 0.017 0.000 1.163 79 A CA 1.291 53.345 52.037 0.029 0.000 0.646 79 A CB -0.514 18.503 19.000 0.028 0.000 0.806 79 A HN 0.328 nan 8.150 nan 0.000 0.448 80 R N -1.557 118.948 120.500 0.010 0.000 2.276 80 R HA 0.135 4.461 4.340 -0.023 0.000 0.203 80 R C 1.359 177.664 176.300 0.008 0.000 1.017 80 R CA 0.593 56.694 56.100 0.002 0.000 1.010 80 R CB -0.141 30.152 30.300 -0.011 0.000 0.900 80 R HN 0.695 nan 8.270 nan 0.000 0.469 81 G N 0.766 109.576 108.800 0.017 0.000 2.143 81 G HA2 -0.306 3.640 3.960 -0.023 0.000 0.249 81 G HA3 -0.306 3.640 3.960 -0.023 0.000 0.249 81 G C 0.529 175.450 174.900 0.034 0.000 0.981 81 G CA 0.504 45.620 45.100 0.028 0.000 0.665 81 G HN 0.432 nan 8.290 nan 0.000 0.528 82 E N -0.504 119.709 120.200 0.021 0.000 2.076 82 E HA 0.207 4.544 4.350 -0.023 0.000 0.190 82 E C 1.636 178.266 176.600 0.050 0.000 0.979 82 E CA 1.193 57.606 56.400 0.022 0.000 0.807 82 E CB 0.154 29.840 29.700 -0.023 0.000 0.761 82 E HN 0.901 nan 8.360 nan 0.000 0.454 83 I N -2.492 118.087 120.570 0.016 0.000 3.145 83 I HA 0.490 4.646 4.170 -0.023 0.000 0.313 83 I C -1.234 174.935 176.117 0.086 0.000 1.122 83 I CA -1.208 60.112 61.300 0.035 0.000 0.987 83 I CB 2.217 40.103 38.000 -0.191 0.000 1.236 83 I HN -0.340 nan 8.210 nan 0.000 0.453 84 K N 2.693 123.175 120.400 0.137 0.000 2.443 84 K HA 0.460 4.766 4.320 -0.023 0.000 0.252 84 K C 0.139 176.820 176.600 0.135 0.000 0.933 84 K CA -0.751 55.610 56.287 0.123 0.000 0.792 84 K CB 2.862 35.433 32.500 0.117 0.000 1.185 84 K HN 0.629 nan 8.250 nan 0.000 0.425 85 L N 1.053 122.339 121.223 0.106 0.000 2.187 85 L HA -0.232 4.095 4.340 -0.023 0.000 0.213 85 L C 2.161 179.063 176.870 0.052 0.000 1.100 85 L CA 1.629 56.511 54.840 0.070 0.000 0.765 85 L CB -0.404 41.651 42.059 -0.007 0.000 0.904 85 L HN 0.734 nan 8.230 nan 0.000 0.437 86 S N -2.309 113.430 115.700 0.064 0.000 2.515 86 S HA -0.054 4.402 4.470 -0.023 0.000 0.231 86 S C 0.636 175.295 174.600 0.098 0.000 0.987 86 S CA -0.078 58.158 58.200 0.061 0.000 0.936 86 S CB -0.470 62.764 63.200 0.056 0.000 0.766 86 S HN 0.256 nan 8.310 nan 0.000 0.528 87 D N 4.171 124.658 120.400 0.145 0.000 2.455 87 D HA 0.262 4.888 4.640 -0.023 0.000 0.241 87 D C -2.513 173.904 176.300 0.195 0.000 1.138 87 D CA -1.411 52.699 54.000 0.184 0.000 0.877 87 D CB 0.483 41.480 40.800 0.329 0.000 1.187 87 D HN 0.193 nan 8.370 nan 0.000 0.451 88 P HA 0.016 nan 4.420 nan 0.000 0.268 88 P C 0.815 178.254 177.300 0.233 0.000 1.205 88 P CA -0.093 63.122 63.100 0.192 0.000 0.771 88 P CB 0.496 32.279 31.700 0.139 0.000 0.858 89 T N 0.884 115.610 114.554 0.287 0.000 2.699 89 T HA -0.185 4.152 4.350 -0.023 0.000 0.268 89 T C 1.681 176.499 174.700 0.196 0.000 1.036 89 T CA 2.505 64.775 62.100 0.283 0.000 1.147 89 T CB -1.063 67.993 68.868 0.314 0.000 0.862 89 T HN 0.646 nan 8.240 nan 0.000 0.446 90 T N 0.490 115.121 114.554 0.128 0.000 2.881 90 T HA -0.058 4.278 4.350 -0.023 0.000 0.270 90 T C 1.791 176.489 174.700 -0.005 0.000 1.068 90 T CA 1.288 63.417 62.100 0.048 0.000 1.131 90 T CB -0.297 68.595 68.868 0.040 0.000 0.871 90 T HN 0.395 nan 8.240 nan 0.000 0.479 91 K N 0.331 120.685 120.400 -0.077 0.000 2.127 91 K HA -0.192 4.114 4.320 -0.023 0.000 0.208 91 K C 1.427 177.703 176.600 -0.540 0.000 1.047 91 K CA 1.748 57.837 56.287 -0.329 0.000 0.927 91 K CB -0.301 31.912 32.500 -0.477 0.000 0.716 91 K HN 0.561 nan 8.250 nan 0.000 0.450 92 Y N -2.800 117.535 120.300 0.060 0.000 2.478 92 Y HA 0.104 4.640 4.550 -0.023 0.000 0.261 92 Y C 0.228 176.180 175.900 0.087 0.000 1.127 92 Y CA -0.299 57.823 58.100 0.037 0.000 1.288 92 Y CB 0.520 38.975 38.460 -0.009 0.000 1.084 92 Y HN 0.140 nan 8.280 nan 0.000 0.530 93 W N 3.180 124.467 121.300 -0.022 0.000 2.162 93 W HA 0.400 5.046 4.660 -0.023 0.000 0.292 93 W C -2.455 174.004 176.519 -0.100 0.000 0.998 93 W CA -3.524 53.774 57.345 -0.078 0.000 1.570 93 W CB 0.962 30.331 29.460 -0.152 0.000 1.644 93 W HN -0.168 nan 8.180 nan 0.000 0.360 94 P HA -0.160 nan 4.420 nan 0.000 0.228 94 P C 0.663 177.926 177.300 -0.061 0.000 1.151 94 P CA 1.614 64.723 63.100 0.015 0.000 0.770 94 P CB 0.479 32.192 31.700 0.022 0.000 0.786 95 E N -0.506 119.625 120.200 -0.115 0.000 2.385 95 E HA 0.058 4.395 4.350 -0.023 0.000 0.194 95 E C 0.724 177.069 176.600 -0.426 0.000 1.013 95 E CA 0.025 56.299 56.400 -0.209 0.000 0.866 95 E CB -0.481 29.140 29.700 -0.132 0.000 0.832 95 E HN 0.254 nan 8.360 nan 0.000 0.500 96 L N 2.533 123.356 121.223 -0.667 0.000 2.574 96 L HA 0.026 4.352 4.340 -0.023 0.000 0.281 96 L C 0.803 177.499 176.870 -0.290 0.000 1.212 96 L CA 0.207 54.649 54.840 -0.663 0.000 1.082 96 L CB -0.342 41.118 42.059 -0.998 0.000 1.362 96 L HN 0.234 nan 8.230 nan 0.000 0.451 97 T N -2.291 112.166 114.554 -0.162 0.000 3.040 97 T HA 0.259 4.595 4.350 -0.023 0.000 0.250 97 T C 0.830 175.556 174.700 0.043 0.000 1.058 97 T CA -0.001 62.075 62.100 -0.041 0.000 0.988 97 T CB 0.425 69.268 68.868 -0.041 0.000 0.993 97 T HN 0.424 nan 8.240 nan 0.000 0.519 98 A N 2.535 125.418 122.820 0.105 0.000 2.425 98 A HA 0.431 4.738 4.320 -0.023 0.000 0.249 98 A C 1.565 179.275 177.584 0.210 0.000 1.084 98 A CA -0.501 51.630 52.037 0.156 0.000 0.781 98 A CB 0.465 19.586 19.000 0.203 0.000 1.019 98 A HN 0.567 nan 8.150 nan 0.000 0.490 99 K N 1.919 122.376 120.400 0.095 0.000 2.209 99 K HA -0.219 4.088 4.320 -0.023 0.000 0.204 99 K C 1.510 178.127 176.600 0.028 0.000 1.048 99 K CA 1.429 57.752 56.287 0.061 0.000 0.940 99 K CB -0.116 32.392 32.500 0.014 0.000 0.729 99 K HN 0.800 nan 8.250 nan 0.000 0.451 100 Q N 0.874 120.643 119.800 -0.052 0.000 2.248 100 Q HA -0.201 4.125 4.340 -0.023 0.000 0.208 100 Q C 1.199 177.044 176.000 -0.259 0.000 0.984 100 Q CA 1.611 57.280 55.803 -0.224 0.000 0.875 100 Q CB -0.723 27.753 28.738 -0.435 0.000 0.910 100 Q HN 0.621 nan 8.270 nan 0.000 0.433 101 W N 2.035 123.377 121.300 0.070 0.000 2.519 101 W HA 0.098 4.744 4.660 -0.023 0.000 0.266 101 W C 0.368 176.947 176.519 0.100 0.000 1.253 101 W CA -0.094 57.319 57.345 0.114 0.000 1.274 101 W CB -0.241 29.272 29.460 0.089 0.000 1.114 101 W HN 0.109 nan 8.180 nan 0.000 0.596 102 N N 0.862 119.697 118.700 0.224 0.000 2.386 102 N HA 0.170 4.896 4.740 -0.023 0.000 0.273 102 N C 1.036 176.629 175.510 0.138 0.000 1.331 102 N CA 0.827 53.971 53.050 0.156 0.000 0.891 102 N CB 0.064 38.608 38.487 0.096 0.000 1.139 102 N HN 0.251 nan 8.380 nan 0.000 0.487 103 G N 2.445 111.350 108.800 0.176 0.000 2.194 103 G HA2 -0.269 3.677 3.960 -0.023 0.000 0.236 103 G HA3 -0.269 3.677 3.960 -0.023 0.000 0.236 103 G C 0.164 175.235 174.900 0.286 0.000 0.987 103 G CA -0.522 44.694 45.100 0.193 0.000 0.635 103 G HN 0.548 nan 8.290 nan 0.000 0.520 104 I N 3.233 123.991 120.570 0.313 0.000 2.322 104 I HA 0.357 4.513 4.170 -0.023 0.000 0.292 104 I C 1.264 177.660 176.117 0.464 0.000 1.060 104 I CA 0.222 61.789 61.300 0.444 0.000 1.309 104 I CB 0.799 39.012 38.000 0.355 0.000 1.415 104 I HN 0.302 nan 8.210 nan 0.000 0.492 105 T N 2.979 117.795 114.554 0.437 0.000 2.912 105 T HA 0.429 4.766 4.350 -0.023 0.000 0.280 105 T C 1.249 176.075 174.700 0.210 0.000 0.989 105 T CA -0.857 61.377 62.100 0.224 0.000 0.995 105 T CB 1.450 70.338 68.868 0.033 0.000 1.077 105 T HN 0.425 nan 8.240 nan 0.000 0.531 106 L N 0.376 121.719 121.223 0.200 0.000 2.131 106 L HA -0.029 4.297 4.340 -0.023 0.000 0.210 106 L C 2.534 179.425 176.870 0.035 0.000 1.092 106 L CA 0.805 55.785 54.840 0.232 0.000 0.759 106 L CB -0.826 41.422 42.059 0.314 0.000 0.903 106 L HN 0.592 nan 8.230 nan 0.000 0.435 107 L N -0.466 120.710 121.223 -0.078 0.000 2.012 107 L HA -0.261 4.065 4.340 -0.023 0.000 0.210 107 L C 2.738 179.553 176.870 -0.091 0.000 1.073 107 L CA 1.939 56.658 54.840 -0.201 0.000 0.748 107 L CB -0.796 41.149 42.059 -0.190 0.000 0.891 107 L HN 0.247 nan 8.230 nan 0.000 0.431 108 H N -0.348 118.789 119.070 0.112 0.000 2.319 108 H HA -0.128 4.414 4.556 -0.023 0.000 0.299 108 H C 2.399 177.741 175.328 0.024 0.000 1.092 108 H CA 2.039 58.146 56.048 0.098 0.000 1.302 108 H CB -0.571 29.275 29.762 0.140 0.000 1.373 108 H HN 0.365 nan 8.280 nan 0.000 0.497 109 L N 0.110 121.439 121.223 0.177 0.000 2.046 109 L HA -0.142 4.184 4.340 -0.023 0.000 0.208 109 L C 2.799 179.633 176.870 -0.060 0.000 1.077 109 L CA 1.064 55.984 54.840 0.133 0.000 0.747 109 L CB -0.541 41.662 42.059 0.239 0.000 0.896 109 L HN 0.220 nan 8.230 nan 0.000 0.432 110 A N -0.449 122.156 122.820 -0.358 0.000 2.067 110 A HA -0.136 4.171 4.320 -0.023 0.000 0.219 110 A C 2.027 179.224 177.584 -0.645 0.000 1.158 110 A CA 1.880 53.465 52.037 -0.755 0.000 0.661 110 A CB -0.595 17.517 19.000 -1.481 0.000 0.801 110 A HN 0.517 nan 8.150 nan 0.000 0.452 111 T N -6.303 107.966 114.554 -0.475 0.000 3.132 111 T HA 0.325 4.662 4.350 -0.023 0.000 0.274 111 T C 0.280 174.748 174.700 -0.386 0.000 1.011 111 T CA 0.219 62.046 62.100 -0.454 0.000 0.899 111 T CB -0.838 68.041 68.868 0.018 0.000 1.089 111 T HN 0.685 nan 8.240 nan 0.000 0.543 112 Y N 0.888 121.191 120.300 0.004 0.000 4.177 112 Y HA -0.287 4.249 4.550 -0.022 0.000 0.227 112 Y C 1.286 177.168 175.900 -0.031 0.000 1.154 112 Y CA 0.546 58.656 58.100 0.016 0.000 1.887 112 Y CB -2.942 35.539 38.460 0.035 0.000 1.594 112 Y HN 0.589 nan 8.280 nan 0.000 0.668 113 T N -4.142 110.409 114.554 -0.006 0.000 3.129 113 T HA 0.622 4.958 4.350 -0.023 0.000 0.267 113 T C 1.515 176.176 174.700 -0.065 0.000 1.018 113 T CA 0.186 62.194 62.100 -0.154 0.000 0.903 113 T CB 0.718 69.222 68.868 -0.607 0.000 1.067 113 T HN 0.492 nan 8.240 nan 0.000 0.549 114 A N 1.563 124.429 122.820 0.077 0.000 2.070 114 A HA 0.506 4.812 4.320 -0.023 0.000 0.220 114 A C 1.897 179.582 177.584 0.168 0.000 1.159 114 A CA 0.829 52.915 52.037 0.083 0.000 0.656 114 A CB -0.883 18.184 19.000 0.113 0.000 0.800 114 A HN 1.464 nan 8.150 nan 0.000 0.453 115 G N -3.342 105.635 108.800 0.295 0.000 2.244 115 G HA2 0.435 4.381 3.960 -0.023 0.000 0.163 115 G HA3 0.435 4.381 3.960 -0.023 0.000 0.163 115 G C 0.925 176.035 174.900 0.350 0.000 1.064 115 G CA 0.337 45.675 45.100 0.397 0.000 0.757 115 G HN 1.979 nan 8.290 nan 0.000 0.484 116 G N -0.755 108.270 108.800 0.376 0.000 2.173 116 G HA2 -0.084 3.862 3.960 -0.023 0.000 0.174 116 G HA3 -0.084 3.862 3.960 -0.023 0.000 0.174 116 G C 0.420 175.494 174.900 0.290 0.000 1.025 116 G CA -0.050 45.090 45.100 0.067 0.000 0.706 116 G HN 1.224 nan 8.290 nan 0.000 0.499 117 L N 1.763 123.062 121.223 0.126 0.000 2.514 117 L HA 0.251 4.578 4.340 -0.023 0.000 0.280 117 L C -0.938 175.951 176.870 0.031 0.000 1.223 117 L CA -1.181 53.520 54.840 -0.232 0.000 0.864 117 L CB 0.443 42.297 42.059 -0.343 0.000 1.118 117 L HN 0.108 nan 8.230 nan 0.000 0.494 118 P HA 0.019 nan 4.420 nan 0.000 0.277 118 P C 0.968 178.317 177.300 0.081 0.000 1.240 118 P CA -0.435 62.730 63.100 0.107 0.000 0.798 118 P CB 1.277 33.067 31.700 0.149 0.000 0.979 119 L N 1.400 122.653 121.223 0.051 0.000 2.077 119 L HA -0.191 4.135 4.340 -0.023 0.000 0.231 119 L C 0.729 177.611 176.870 0.020 0.000 1.100 119 L CA 2.007 56.859 54.840 0.020 0.000 0.819 119 L CB -0.295 41.762 42.059 -0.002 0.000 0.913 119 L HN 0.357 nan 8.230 nan 0.000 0.446 120 L N -1.238 119.985 121.223 0.000 0.000 2.386 120 L HA 0.320 4.646 4.340 -0.023 0.000 0.271 120 L C -0.406 176.408 176.870 -0.092 0.000 0.993 120 L CA -0.933 53.892 54.840 -0.025 0.000 0.819 120 L CB 2.103 44.127 42.059 -0.058 0.000 1.294 120 L HN -0.296 nan 8.230 nan 0.000 0.414 121 V N 4.005 123.826 119.914 -0.154 0.000 2.681 121 V HA -0.046 4.061 4.120 -0.023 0.000 0.306 121 V C -1.834 174.039 176.094 -0.369 0.000 1.077 121 V CA -0.698 61.323 62.300 -0.465 0.000 1.224 121 V CB -0.114 31.499 31.823 -0.350 0.000 0.879 121 V HN 0.616 nan 8.190 nan 0.000 0.494 122 P HA 0.016 nan 4.420 nan 0.000 0.265 122 P C 0.603 177.807 177.300 -0.160 0.000 1.187 122 P CA 0.115 63.074 63.100 -0.236 0.000 0.766 122 P CB 0.471 32.049 31.700 -0.205 0.000 0.820 123 D N 2.019 122.368 120.400 -0.084 0.000 2.182 123 D HA -0.215 4.412 4.640 -0.023 0.000 0.201 123 D C 1.675 177.953 176.300 -0.037 0.000 0.986 123 D CA 1.206 55.178 54.000 -0.046 0.000 0.847 123 D CB 0.016 40.804 40.800 -0.021 0.000 0.942 123 D HN 0.543 nan 8.370 nan 0.000 0.467 124 E N -0.015 120.163 120.200 -0.037 0.000 2.171 124 E HA -0.161 4.175 4.350 -0.023 0.000 0.197 124 E C 0.449 177.036 176.600 -0.021 0.000 0.997 124 E CA 0.623 57.011 56.400 -0.020 0.000 0.810 124 E CB -0.337 29.358 29.700 -0.009 0.000 0.738 124 E HN 0.101 nan 8.360 nan 0.000 0.467 125 V N 2.479 122.360 119.914 -0.056 0.000 2.421 125 V HA -0.001 4.105 4.120 -0.023 0.000 0.271 125 V C 0.750 176.829 176.094 -0.025 0.000 1.031 125 V CA 0.432 62.704 62.300 -0.047 0.000 1.032 125 V CB 0.790 32.532 31.823 -0.135 0.000 1.009 125 V HN 0.132 nan 8.190 nan 0.000 0.477 126 K N 2.750 123.153 120.400 0.004 0.000 2.313 126 K HA 0.192 4.499 4.320 -0.023 0.000 0.215 126 K C 1.171 177.784 176.600 0.022 0.000 1.109 126 K CA 0.659 56.951 56.287 0.009 0.000 0.895 126 K CB 0.012 32.519 32.500 0.012 0.000 1.234 126 K HN 0.731 nan 8.250 nan 0.000 0.463 127 S N -0.629 115.093 115.700 0.036 0.000 2.681 127 S HA 0.202 4.658 4.470 -0.023 0.000 0.270 127 S C 0.989 175.632 174.600 0.072 0.000 1.209 127 S CA -0.354 57.873 58.200 0.044 0.000 0.988 127 S CB 1.513 64.740 63.200 0.044 0.000 1.006 127 S HN 0.075 nan 8.310 nan 0.000 0.558 128 S N 0.995 116.738 115.700 0.072 0.000 2.402 128 S HA -0.092 4.364 4.470 -0.023 0.000 0.229 128 S C 2.242 176.952 174.600 0.183 0.000 1.021 128 S CA 1.157 59.422 58.200 0.110 0.000 0.974 128 S CB -0.694 62.545 63.200 0.066 0.000 0.800 128 S HN 0.910 nan 8.310 nan 0.000 0.484 129 S N 2.204 117.988 115.700 0.138 0.000 2.383 129 S HA -0.165 4.291 4.470 -0.023 0.000 0.227 129 S C 1.318 176.004 174.600 0.145 0.000 1.026 129 S CA 1.374 59.657 58.200 0.138 0.000 0.981 129 S CB -0.506 62.749 63.200 0.092 0.000 0.818 129 S HN 0.323 nan 8.310 nan 0.000 0.472 130 D N 1.246 121.722 120.400 0.127 0.000 2.144 130 D HA -0.009 4.618 4.640 -0.023 0.000 0.199 130 D C 1.803 178.217 176.300 0.189 0.000 0.984 130 D CA 0.804 54.879 54.000 0.125 0.000 0.834 130 D CB -0.476 40.373 40.800 0.082 0.000 0.955 130 D HN 0.381 nan 8.370 nan 0.000 0.465 131 L N 0.198 121.568 121.223 0.245 0.000 2.109 131 L HA -0.006 4.320 4.340 -0.023 0.000 0.207 131 L C 1.977 179.184 176.870 0.561 0.000 1.086 131 L CA 0.916 55.987 54.840 0.385 0.000 0.760 131 L CB -0.439 41.845 42.059 0.375 0.000 0.910 131 L HN -0.002 nan 8.230 nan 0.000 0.437 132 L N -0.332 121.177 121.223 0.476 0.000 2.083 132 L HA -0.194 4.133 4.340 -0.023 0.000 0.209 132 L C 2.672 179.584 176.870 0.071 0.000 1.083 132 L CA 1.809 56.756 54.840 0.178 0.000 0.752 132 L CB -0.628 41.511 42.059 0.132 0.000 0.899 132 L HN 0.299 nan 8.230 nan 0.000 0.433 133 R N -1.663 118.918 120.500 0.135 0.000 2.090 133 R HA -0.184 4.142 4.340 -0.023 0.000 0.228 133 R C 2.299 178.680 176.300 0.135 0.000 1.110 133 R CA 1.408 57.570 56.100 0.103 0.000 0.973 133 R CB -0.467 29.896 30.300 0.105 0.000 0.869 133 R HN 0.431 nan 8.270 nan 0.000 0.440 134 F N 0.353 120.329 119.950 0.043 0.000 2.102 134 F HA -0.214 4.301 4.527 -0.021 0.000 0.298 134 F C 1.289 177.117 175.800 0.047 0.000 1.105 134 F CA 1.515 59.505 58.000 -0.018 0.000 1.239 134 F CB -0.529 38.378 39.000 -0.156 0.000 0.991 134 F HN -0.012 nan 8.300 nan 0.000 0.474 135 Y N 0.531 120.748 120.300 -0.138 0.000 2.314 135 Y HA -0.136 4.401 4.550 -0.022 0.000 0.293 135 Y C 2.617 178.651 175.900 0.224 0.000 1.129 135 Y CA 1.378 59.451 58.100 -0.046 0.000 1.201 135 Y CB -0.858 37.587 38.460 -0.025 0.000 0.999 135 Y HN 0.136 nan 8.280 nan 0.000 0.541 136 Q N 0.064 119.964 119.800 0.167 0.000 2.124 136 Q HA -0.166 4.160 4.340 -0.023 0.000 0.202 136 Q C 1.289 177.391 176.000 0.169 0.000 0.977 136 Q CA 1.501 57.399 55.803 0.159 0.000 0.850 136 Q CB -0.489 28.255 28.738 0.010 0.000 0.901 136 Q HN 0.665 nan 8.270 nan 0.000 0.429 137 N N -0.836 117.923 118.700 0.097 0.000 2.373 137 N HA -0.040 4.687 4.740 -0.023 0.000 0.181 137 N C -0.118 175.408 175.510 0.028 0.000 1.082 137 N CA -0.413 52.665 53.050 0.047 0.000 0.885 137 N CB 0.164 38.678 38.487 0.045 0.000 0.977 137 N HN 0.160 nan 8.380 nan 0.000 0.462 138 W N 3.089 124.288 121.300 -0.169 0.000 2.381 138 W HA 0.066 4.712 4.660 -0.023 0.000 0.321 138 W C -0.574 175.838 176.519 -0.177 0.000 1.407 138 W CA -0.192 57.017 57.345 -0.228 0.000 1.274 138 W CB 0.511 29.772 29.460 -0.331 0.000 1.310 138 W HN -0.065 nan 8.180 nan 0.000 0.551 139 Q N 8.956 128.269 119.800 -0.812 0.000 2.398 139 Q HA 0.267 4.593 4.340 -0.023 0.000 0.251 139 Q C -2.034 173.213 176.000 -1.255 0.000 0.999 139 Q CA -2.148 53.130 55.803 -0.876 0.000 0.874 139 Q CB 0.819 29.286 28.738 -0.451 0.000 1.215 139 Q HN 0.379 nan 8.270 nan 0.000 0.470 140 P HA 0.018 nan 4.420 nan 0.000 0.268 140 P C 0.080 176.982 177.300 -0.663 0.000 1.204 140 P CA 0.143 62.558 63.100 -1.142 0.000 0.768 140 P CB 0.956 32.097 31.700 -0.932 0.000 0.842 141 A N 3.719 126.131 122.820 -0.680 0.000 1.968 141 A HA 0.001 4.308 4.320 -0.023 0.000 0.217 141 A C 0.487 177.750 177.584 -0.534 0.000 1.169 141 A CA 0.845 52.432 52.037 -0.750 0.000 0.638 141 A CB -0.332 17.914 19.000 -1.256 0.000 0.812 141 A HN 0.574 nan 8.150 nan 0.000 0.446 142 W N -2.344 118.891 121.300 -0.108 0.000 2.902 142 W HA 0.699 5.346 4.660 -0.023 0.000 0.346 142 W C 0.116 176.563 176.519 -0.119 0.000 1.139 142 W CA -1.458 55.831 57.345 -0.093 0.000 1.139 142 W CB 0.825 30.246 29.460 -0.065 0.000 1.439 142 W HN 0.179 nan 8.180 nan 0.000 0.558 143 A N 3.085 125.986 122.820 0.134 0.000 2.425 143 A HA 0.534 4.841 4.320 -0.023 0.000 0.242 143 A C -2.119 175.463 177.584 -0.003 0.000 1.077 143 A CA -0.887 51.166 52.037 0.028 0.000 0.781 143 A CB -0.750 18.265 19.000 0.024 0.000 1.020 143 A HN 0.191 nan 8.150 nan 0.000 0.494 144 P HA 0.267 nan 4.420 nan 0.000 0.269 144 P C 0.783 177.903 177.300 -0.299 0.000 1.215 144 P CA 1.417 64.323 63.100 -0.323 0.000 0.780 144 P CB 0.454 31.889 31.700 -0.442 0.000 0.898 145 G N 1.362 109.899 108.800 -0.438 0.000 2.225 145 G HA2 -0.275 3.671 3.960 -0.023 0.000 0.267 145 G HA3 -0.275 3.671 3.960 -0.023 0.000 0.267 145 G C 0.636 175.465 174.900 -0.118 0.000 1.024 145 G CA 0.856 45.868 45.100 -0.147 0.000 0.784 145 G HN 0.748 nan 8.290 nan 0.000 0.507 146 T N -5.120 109.320 114.554 -0.190 0.000 3.019 146 T HA 0.425 4.761 4.350 -0.023 0.000 0.247 146 T C 0.672 175.193 174.700 -0.299 0.000 0.992 146 T CA 0.774 62.778 62.100 -0.159 0.000 1.036 146 T CB 0.617 69.426 68.868 -0.098 0.000 1.063 146 T HN 0.373 nan 8.240 nan 0.000 0.476 147 Q N 0.585 120.142 119.800 -0.405 0.000 2.397 147 Q HA 0.515 4.841 4.340 -0.023 0.000 0.275 147 Q C -1.449 174.324 176.000 -0.377 0.000 1.090 147 Q CA -0.702 54.749 55.803 -0.586 0.000 0.809 147 Q CB 3.426 31.323 28.738 -1.402 0.000 1.362 147 Q HN 0.285 nan 8.270 nan 0.000 0.431 148 R N 1.878 122.205 120.500 -0.289 0.000 2.387 148 R HA 0.591 4.917 4.340 -0.023 0.000 0.314 148 R C -1.579 174.725 176.300 0.006 0.000 0.958 148 R CA -0.578 55.465 56.100 -0.097 0.000 0.846 148 R CB 0.788 31.053 30.300 -0.058 0.000 1.147 148 R HN 0.465 nan 8.270 nan 0.000 0.447 149 L N 3.087 124.398 121.223 0.147 0.000 2.439 149 L HA 0.373 4.700 4.340 -0.023 0.000 0.270 149 L C -1.024 175.860 176.870 0.023 0.000 0.972 149 L CA -0.227 54.702 54.840 0.148 0.000 0.836 149 L CB 2.150 44.413 42.059 0.340 0.000 1.255 149 L HN 0.669 nan 8.230 nan 0.000 0.404 150 E N 3.875 123.977 120.200 -0.163 0.000 2.257 150 E HA 0.598 4.934 4.350 -0.023 0.000 0.278 150 E C -0.793 175.614 176.600 -0.323 0.000 1.049 150 E CA -0.179 55.881 56.400 -0.567 0.000 0.876 150 E CB 1.036 30.461 29.700 -0.458 0.000 1.035 150 E HN 0.685 nan 8.360 nan 0.000 0.419 151 A N 4.045 126.684 122.820 -0.302 0.000 2.442 151 A HA 0.231 4.537 4.320 -0.023 0.000 0.284 151 A C 0.218 177.891 177.584 0.149 0.000 1.058 151 A CA -0.784 51.266 52.037 0.022 0.000 0.738 151 A CB 0.828 19.904 19.000 0.126 0.000 1.242 151 A HN 0.563 nan 8.150 nan 0.000 0.421 152 N N 1.359 120.136 118.700 0.129 0.000 2.149 152 N HA -0.172 4.554 4.740 -0.023 0.000 0.188 152 N C 2.102 177.744 175.510 0.220 0.000 1.019 152 N CA 2.015 55.187 53.050 0.202 0.000 0.857 152 N CB -0.165 38.450 38.487 0.213 0.000 0.997 152 N HN 0.828 nan 8.380 nan 0.000 0.426 153 S N -0.803 115.021 115.700 0.207 0.000 2.442 153 S HA -0.017 4.439 4.470 -0.023 0.000 0.236 153 S C 2.072 176.884 174.600 0.354 0.000 1.007 153 S CA 1.206 59.581 58.200 0.291 0.000 0.965 153 S CB -0.157 63.210 63.200 0.279 0.000 0.773 153 S HN 0.230 nan 8.310 nan 0.000 0.504 154 S N 1.141 117.008 115.700 0.279 0.000 2.339 154 S HA 0.228 4.685 4.470 -0.023 0.000 0.213 154 S C 1.680 176.428 174.600 0.247 0.000 1.033 154 S CA 0.558 58.913 58.200 0.259 0.000 0.950 154 S CB -0.586 62.785 63.200 0.285 0.000 0.893 154 S HN 0.567 nan 8.310 nan 0.000 0.492 155 I N 1.195 121.932 120.570 0.279 0.000 2.493 155 I HA -0.013 4.143 4.170 -0.023 0.000 0.254 155 I C 2.079 178.328 176.117 0.220 0.000 1.160 155 I CA 1.199 62.643 61.300 0.241 0.000 1.445 155 I CB -0.498 37.650 38.000 0.246 0.000 1.086 155 I HN 0.475 nan 8.210 nan 0.000 0.433 156 G N 0.731 109.629 108.800 0.163 0.000 2.402 156 G HA2 -0.259 3.687 3.960 -0.023 0.000 0.216 156 G HA3 -0.259 3.687 3.960 -0.023 0.000 0.216 156 G C 1.519 176.408 174.900 -0.018 0.000 1.162 156 G CA 0.688 45.806 45.100 0.030 0.000 0.777 156 G HN 0.367 nan 8.290 nan 0.000 0.539 157 L N -0.136 121.131 121.223 0.074 0.000 2.056 157 L HA 0.157 4.484 4.340 -0.023 0.000 0.207 157 L C 2.414 179.262 176.870 -0.035 0.000 1.078 157 L CA 1.407 56.226 54.840 -0.035 0.000 0.749 157 L CB -0.771 41.216 42.059 -0.120 0.000 0.901 157 L HN 0.222 nan 8.230 nan 0.000 0.433 158 F N 0.482 120.401 119.950 -0.052 0.000 2.091 158 F HA -0.159 4.354 4.527 -0.023 0.000 0.299 158 F C 2.143 177.902 175.800 -0.067 0.000 1.103 158 F CA 1.948 59.917 58.000 -0.052 0.000 1.228 158 F CB -1.013 37.971 39.000 -0.027 0.000 0.984 158 F HN 0.126 nan 8.300 nan 0.000 0.477 159 G N -0.544 108.120 108.800 -0.228 0.000 2.402 159 G HA2 -0.162 3.785 3.960 -0.023 0.000 0.216 159 G HA3 -0.162 3.785 3.960 -0.023 0.000 0.216 159 G C 1.816 176.570 174.900 -0.243 0.000 1.162 159 G CA 0.795 45.744 45.100 -0.252 0.000 0.777 159 G HN 0.656 nan 8.290 nan 0.000 0.539 160 A N 0.503 123.138 122.820 -0.309 0.000 1.933 160 A HA 0.122 4.428 4.320 -0.023 0.000 0.218 160 A C 2.397 179.816 177.584 -0.276 0.000 1.175 160 A CA 1.191 53.063 52.037 -0.275 0.000 0.628 160 A CB -0.325 18.483 19.000 -0.319 0.000 0.814 160 A HN 0.359 nan 8.150 nan 0.000 0.444 161 L N -1.159 119.871 121.223 -0.321 0.000 2.179 161 L HA -0.053 4.274 4.340 -0.023 0.000 0.208 161 L C 2.974 179.577 176.870 -0.444 0.000 1.096 161 L CA 0.753 55.399 54.840 -0.323 0.000 0.779 161 L CB -0.499 41.422 42.059 -0.229 0.000 0.922 161 L HN 0.411 nan 8.230 nan 0.000 0.443 162 A N 0.321 122.821 122.820 -0.534 0.000 1.969 162 A HA -0.129 4.178 4.320 -0.023 0.000 0.218 162 A C 2.202 179.570 177.584 -0.360 0.000 1.169 162 A CA 1.728 53.419 52.037 -0.577 0.000 0.635 162 A CB -0.641 17.878 19.000 -0.800 0.000 0.810 162 A HN 0.327 nan 8.150 nan 0.000 0.445 163 V N -2.985 116.779 119.914 -0.249 0.000 3.406 163 V HA 0.030 4.136 4.120 -0.023 0.000 0.263 163 V C 1.731 177.742 176.094 -0.138 0.000 1.172 163 V CA 1.388 63.587 62.300 -0.168 0.000 1.140 163 V CB -0.582 31.175 31.823 -0.110 0.000 0.784 163 V HN 0.429 nan 8.190 nan 0.000 0.467 164 K N 1.367 121.678 120.400 -0.149 0.000 2.044 164 K HA -0.110 4.197 4.320 -0.023 0.000 0.210 164 K C 0.057 176.636 176.600 -0.035 0.000 1.049 164 K CA 2.323 58.559 56.287 -0.085 0.000 0.927 164 K CB -1.511 30.954 32.500 -0.058 0.000 0.713 164 K HN 0.500 nan 8.250 nan 0.000 0.443 165 P HA -0.124 nan 4.420 nan 0.000 0.222 165 P C 1.190 178.478 177.300 -0.019 0.000 1.147 165 P CA 1.262 64.371 63.100 0.015 0.000 0.790 165 P CB 0.020 31.751 31.700 0.051 0.000 0.780 166 S N -1.317 114.352 115.700 -0.051 0.000 2.453 166 S HA 0.073 4.530 4.470 -0.023 0.000 0.231 166 S C 1.874 176.444 174.600 -0.050 0.000 1.005 166 S CA 0.957 59.123 58.200 -0.057 0.000 0.949 166 S CB -1.449 61.700 63.200 -0.085 0.000 0.774 166 S HN 0.291 nan 8.310 nan 0.000 0.510 167 G N 0.564 109.335 108.800 -0.048 0.000 2.179 167 G HA2 -0.217 3.730 3.960 -0.023 0.000 0.260 167 G HA3 -0.217 3.730 3.960 -0.023 0.000 0.260 167 G C -0.076 174.792 174.900 -0.052 0.000 0.977 167 G CA 0.434 45.509 45.100 -0.043 0.000 0.641 167 G HN 0.564 nan 8.290 nan 0.000 0.533 168 L N 1.427 122.610 121.223 -0.068 0.000 2.344 168 L HA 0.643 4.969 4.340 -0.023 0.000 0.272 168 L C 1.355 178.180 176.870 -0.075 0.000 1.035 168 L CA -0.415 54.378 54.840 -0.079 0.000 0.807 168 L CB 1.662 43.657 42.059 -0.107 0.000 1.237 168 L HN 0.365 nan 8.230 nan 0.000 0.442 169 S N 0.313 115.973 115.700 -0.066 0.000 2.579 169 S HA 0.045 4.502 4.470 -0.023 0.000 0.275 169 S C 0.970 175.540 174.600 -0.050 0.000 1.345 169 S CA -0.388 57.788 58.200 -0.041 0.000 1.031 169 S CB 0.450 63.633 63.200 -0.029 0.000 0.892 169 S HN 0.552 nan 8.310 nan 0.000 0.529 170 F N 1.917 121.779 119.950 -0.145 0.000 2.111 170 F HA -0.203 4.310 4.527 -0.023 0.000 0.300 170 F C 2.058 177.752 175.800 -0.178 0.000 1.088 170 F CA 2.459 60.359 58.000 -0.167 0.000 1.243 170 F CB -0.447 38.455 39.000 -0.164 0.000 0.996 170 F HN 0.733 nan 8.300 nan 0.000 0.483 171 E N -0.483 119.662 120.200 -0.092 0.000 2.072 171 E HA -0.168 4.168 4.350 -0.023 0.000 0.190 171 E C 2.175 178.639 176.600 -0.227 0.000 0.982 171 E CA 1.244 57.563 56.400 -0.135 0.000 0.803 171 E CB -0.280 29.412 29.700 -0.014 0.000 0.755 171 E HN 0.412 nan 8.360 nan 0.000 0.453 172 Q N -0.362 119.331 119.800 -0.179 0.000 2.269 172 Q HA 0.150 4.477 4.340 -0.023 0.000 0.201 172 Q C 2.062 177.922 176.000 -0.233 0.000 0.946 172 Q CA 1.067 56.770 55.803 -0.167 0.000 0.877 172 Q CB -0.071 28.605 28.738 -0.103 0.000 0.963 172 Q HN 0.272 nan 8.270 nan 0.000 0.472 173 A N 0.795 123.436 122.820 -0.298 0.000 1.873 173 A HA -0.170 4.136 4.320 -0.023 0.000 0.215 173 A C 2.152 179.463 177.584 -0.456 0.000 1.186 173 A CA 1.616 53.452 52.037 -0.335 0.000 0.616 173 A CB -0.395 18.398 19.000 -0.345 0.000 0.823 173 A HN 0.283 nan 8.150 nan 0.000 0.442 174 M N -0.759 118.432 119.600 -0.681 0.000 2.080 174 M HA -0.174 4.292 4.480 -0.023 0.000 0.260 174 M C 2.168 177.920 176.300 -0.913 0.000 1.068 174 M CA 2.302 57.061 55.300 -0.902 0.000 1.109 174 M CB -0.518 31.384 32.600 -1.164 0.000 1.342 174 M HN 0.445 nan 8.290 nan 0.000 0.405 175 Q N -0.600 118.822 119.800 -0.630 0.000 2.050 175 Q HA -0.135 4.192 4.340 -0.023 0.000 0.202 175 Q C 1.952 177.830 176.000 -0.202 0.000 0.980 175 Q CA 2.889 58.495 55.803 -0.328 0.000 0.840 175 Q CB -0.649 28.015 28.738 -0.124 0.000 0.898 175 Q HN 0.721 nan 8.270 nan 0.000 0.424 176 T N -2.873 111.562 114.554 -0.198 0.000 3.014 176 T HA 0.097 4.433 4.350 -0.023 0.000 0.263 176 T C 1.646 176.276 174.700 -0.117 0.000 1.078 176 T CA 0.654 62.679 62.100 -0.125 0.000 1.135 176 T CB -0.019 68.784 68.868 -0.109 0.000 0.895 176 T HN 0.230 nan 8.240 nan 0.000 0.480 177 R N -0.039 120.363 120.500 -0.163 0.000 2.254 177 R HA 0.394 4.720 4.340 -0.023 0.000 0.193 177 R C 1.521 177.773 176.300 -0.080 0.000 0.929 177 R CA 0.244 56.273 56.100 -0.118 0.000 1.038 177 R CB 0.448 30.665 30.300 -0.137 0.000 1.009 177 R HN 0.286 nan 8.270 nan 0.000 0.512 178 V N -1.007 118.833 119.914 -0.125 0.000 3.278 178 V HA 0.044 4.150 4.120 -0.023 0.000 0.215 178 V C 1.354 177.522 176.094 0.123 0.000 1.287 178 V CA 0.449 62.748 62.300 -0.000 0.000 1.302 178 V CB -0.306 31.495 31.823 -0.036 0.000 1.228 178 V HN -0.032 nan 8.190 nan 0.000 0.523 179 F N 1.243 121.127 119.950 -0.110 0.000 2.084 179 F HA -0.096 4.417 4.527 -0.023 0.000 0.296 179 F C 2.598 178.316 175.800 -0.137 0.000 1.111 179 F CA 1.535 59.433 58.000 -0.169 0.000 1.224 179 F CB -1.174 37.647 39.000 -0.299 0.000 0.991 179 F HN 0.153 nan 8.300 nan 0.000 0.471 180 Q N 0.027 119.870 119.800 0.072 0.000 2.014 180 Q HA -0.187 4.139 4.340 -0.023 0.000 0.207 180 Q C -0.389 175.613 176.000 0.002 0.000 0.993 180 Q CA 2.445 58.248 55.803 -0.000 0.000 0.850 180 Q CB -1.368 27.355 28.738 -0.025 0.000 0.916 180 Q HN 0.196 nan 8.270 nan 0.000 0.417 181 P HA -0.151 nan 4.420 nan 0.000 0.218 181 P C 0.450 177.771 177.300 0.036 0.000 1.148 181 P CA 1.229 64.340 63.100 0.019 0.000 0.822 181 P CB 0.038 31.752 31.700 0.022 0.000 0.784 182 L N -1.391 119.876 121.223 0.074 0.000 2.592 182 L HA 0.160 4.487 4.340 -0.023 0.000 0.227 182 L C 0.424 177.318 176.870 0.041 0.000 1.127 182 L CA 0.065 54.960 54.840 0.091 0.000 0.884 182 L CB -0.675 41.509 42.059 0.208 0.000 1.065 182 L HN -0.054 nan 8.230 nan 0.000 0.457 183 K N 0.769 121.166 120.400 -0.006 0.000 3.071 183 K HA -0.171 4.135 4.320 -0.023 0.000 0.265 183 K C -0.209 176.315 176.600 -0.127 0.000 1.060 183 K CA 0.401 56.647 56.287 -0.068 0.000 0.767 183 K CB -1.812 30.652 32.500 -0.060 0.000 1.241 183 K HN 0.340 nan 8.250 nan 0.000 0.486 184 L N 1.303 122.441 121.223 -0.142 0.000 2.422 184 L HA 0.123 4.449 4.340 -0.023 0.000 0.256 184 L C 1.048 177.627 176.870 -0.484 0.000 1.202 184 L CA -0.423 54.246 54.840 -0.285 0.000 1.119 184 L CB -0.014 41.875 42.059 -0.284 0.000 1.383 184 L HN 0.183 nan 8.230 nan 0.000 0.411 185 N N -0.215 118.180 118.700 -0.508 0.000 2.412 185 N HA -0.021 4.706 4.740 -0.023 0.000 0.184 185 N C 0.593 175.645 175.510 -0.763 0.000 1.101 185 N CA 0.672 53.358 53.050 -0.608 0.000 0.881 185 N CB 0.225 38.396 38.487 -0.527 0.000 0.969 185 N HN 0.613 nan 8.380 nan 0.000 0.459 186 H N -0.994 117.754 119.070 -0.537 0.000 2.481 186 H HA 0.305 4.848 4.556 -0.022 0.000 0.273 186 H C -0.451 174.360 175.328 -0.861 0.000 1.145 186 H CA -0.228 55.520 56.048 -0.501 0.000 0.964 186 H CB 0.470 30.159 29.762 -0.122 0.000 1.722 186 H HN -0.167 nan 8.280 nan 0.000 0.573 187 T N 0.555 114.294 114.554 -1.358 0.000 2.841 187 T HA 0.314 4.650 4.350 -0.023 0.000 0.283 187 T C -1.106 172.596 174.700 -1.663 0.000 1.000 187 T CA -0.615 60.656 62.100 -1.382 0.000 0.977 187 T CB 1.315 69.290 68.868 -1.488 0.000 0.979 187 T HN 0.292 nan 8.240 nan 0.000 0.446 188 W N 1.833 122.805 121.300 -0.547 0.000 3.274 188 W HA 0.535 5.182 4.660 -0.021 0.000 0.327 188 W C 0.466 176.865 176.519 -0.199 0.000 1.172 188 W CA -0.821 56.355 57.345 -0.282 0.000 1.217 188 W CB 0.886 30.180 29.460 -0.276 0.000 1.376 188 W HN 0.491 nan 8.180 nan 0.000 0.507 189 I N 1.556 122.235 120.570 0.182 0.000 2.400 189 I HA -0.058 4.098 4.170 -0.023 0.000 0.248 189 I C 0.127 176.255 176.117 0.018 0.000 1.109 189 I CA 0.898 62.246 61.300 0.079 0.000 1.425 189 I CB -0.090 37.970 38.000 0.101 0.000 1.094 189 I HN 0.362 nan 8.210 nan 0.000 0.425 190 N N -0.074 118.648 118.700 0.037 0.000 2.407 190 N HA 0.313 5.040 4.740 -0.023 0.000 0.277 190 N C -0.968 174.440 175.510 -0.170 0.000 0.995 190 N CA -0.386 52.626 53.050 -0.064 0.000 0.903 190 N CB 2.407 40.865 38.487 -0.049 0.000 1.218 190 N HN -0.215 nan 8.380 nan 0.000 0.487 191 V N 3.809 123.525 119.914 -0.331 0.000 2.479 191 V HA 0.177 4.283 4.120 -0.023 0.000 0.281 191 V C -1.746 174.009 176.094 -0.566 0.000 1.031 191 V CA -1.069 60.864 62.300 -0.613 0.000 1.038 191 V CB 0.107 31.507 31.823 -0.705 0.000 0.981 191 V HN 0.601 nan 8.190 nan 0.000 0.478 192 P HA 0.228 nan 4.420 nan 0.000 0.272 192 P C -2.051 175.023 177.300 -0.377 0.000 1.230 192 P CA -1.512 61.264 63.100 -0.539 0.000 0.788 192 P CB 0.077 31.377 31.700 -0.667 0.000 0.949 193 P HA -0.221 nan 4.420 nan 0.000 0.217 193 P C 1.139 178.348 177.300 -0.152 0.000 1.148 193 P CA 1.891 64.897 63.100 -0.155 0.000 0.828 193 P CB -0.341 31.296 31.700 -0.106 0.000 0.783 194 A N -0.259 122.453 122.820 -0.180 0.000 2.067 194 A HA -0.144 4.162 4.320 -0.023 0.000 0.219 194 A C 1.832 179.322 177.584 -0.157 0.000 1.158 194 A CA 1.315 53.268 52.037 -0.141 0.000 0.661 194 A CB -0.606 18.320 19.000 -0.123 0.000 0.801 194 A HN 0.110 nan 8.150 nan 0.000 0.452 195 E N -0.189 119.859 120.200 -0.252 0.000 2.474 195 E HA 0.012 4.348 4.350 -0.023 0.000 0.195 195 E C 1.211 177.702 176.600 -0.181 0.000 1.039 195 E CA 0.150 56.402 56.400 -0.247 0.000 0.881 195 E CB -0.174 29.264 29.700 -0.437 0.000 0.970 195 E HN 0.737 nan 8.360 nan 0.000 0.486 196 E N 1.616 121.730 120.200 -0.143 0.000 2.160 196 E HA -0.216 4.120 4.350 -0.023 0.000 0.195 196 E C 1.976 178.574 176.600 -0.002 0.000 0.991 196 E CA 1.325 57.696 56.400 -0.049 0.000 0.810 196 E CB -0.144 29.539 29.700 -0.029 0.000 0.742 196 E HN 0.287 nan 8.360 nan 0.000 0.466 197 K N 0.563 120.955 120.400 -0.014 0.000 2.209 197 K HA -0.154 4.152 4.320 -0.023 0.000 0.204 197 K C 1.186 177.794 176.600 0.013 0.000 1.048 197 K CA 1.801 58.094 56.287 0.010 0.000 0.940 197 K CB -0.210 32.290 32.500 -0.000 0.000 0.729 197 K HN 0.061 nan 8.250 nan 0.000 0.451 198 N N -0.452 118.242 118.700 -0.011 0.000 2.422 198 N HA -0.038 4.689 4.740 -0.023 0.000 0.181 198 N C -0.521 175.006 175.510 0.027 0.000 1.080 198 N CA -0.206 52.839 53.050 -0.008 0.000 0.893 198 N CB 0.125 38.584 38.487 -0.047 0.000 0.973 198 N HN 0.222 nan 8.380 nan 0.000 0.456 199 Y N 2.203 122.413 120.300 -0.150 0.000 2.584 199 Y HA 0.277 4.816 4.550 -0.019 0.000 0.351 199 Y C 0.278 176.071 175.900 -0.178 0.000 1.030 199 Y CA -1.455 56.517 58.100 -0.213 0.000 1.332 199 Y CB 0.183 38.450 38.460 -0.321 0.000 1.148 199 Y HN -0.012 nan 8.280 nan 0.000 0.528 200 A N 6.286 129.138 122.820 0.054 0.000 2.531 200 A HA -0.058 4.248 4.320 -0.023 0.000 0.236 200 A C -0.930 176.648 177.584 -0.011 0.000 1.062 200 A CA -0.182 51.865 52.037 0.018 0.000 0.760 200 A CB 0.179 19.138 19.000 -0.070 0.000 0.995 200 A HN 0.928 nan 8.150 nan 0.000 0.501 201 W N 1.194 122.506 121.300 0.019 0.000 2.238 201 W HA 0.450 5.106 4.660 -0.007 0.000 0.321 201 W C 1.028 177.264 176.519 -0.472 0.000 1.293 201 W CA 0.676 57.854 57.345 -0.278 0.000 1.204 201 W CB 0.833 29.962 29.460 -0.552 0.000 1.167 201 W HN 0.946 nan 8.180 nan 0.000 0.553 202 G N 1.718 110.343 108.800 -0.292 0.000 2.507 202 G HA2 0.449 4.395 3.960 -0.023 0.000 0.271 202 G HA3 0.449 4.395 3.960 -0.023 0.000 0.271 202 G C -2.019 172.502 174.900 -0.632 0.000 1.189 202 G CA -0.417 44.245 45.100 -0.730 0.000 0.859 202 G HN 0.469 nan 8.290 nan 0.000 0.542 203 Y N -0.521 119.702 120.300 -0.128 0.000 2.354 203 Y HA 0.524 5.058 4.550 -0.026 0.000 0.330 203 Y C 0.289 176.182 175.900 -0.012 0.000 1.011 203 Y CA -0.854 57.220 58.100 -0.043 0.000 1.099 203 Y CB 2.466 40.902 38.460 -0.040 0.000 1.179 203 Y HN 0.526 nan 8.280 nan 0.000 0.442 204 R N 3.154 123.731 120.500 0.128 0.000 2.507 204 R HA 0.268 4.595 4.340 -0.023 0.000 0.298 204 R C -0.903 175.441 176.300 0.073 0.000 1.087 204 R CA -0.335 55.818 56.100 0.088 0.000 0.917 204 R CB 0.656 30.994 30.300 0.064 0.000 1.173 204 R HN 0.770 nan 8.270 nan 0.000 0.472 205 E N 2.669 122.909 120.200 0.067 0.000 2.320 205 E HA -0.221 4.115 4.350 -0.023 0.000 0.234 205 E C 0.518 177.144 176.600 0.043 0.000 1.183 205 E CA 1.302 57.729 56.400 0.044 0.000 0.713 205 E CB -1.453 28.265 29.700 0.029 0.000 1.226 205 E HN 1.184 nan 8.360 nan 0.000 0.382 206 G N -0.143 108.696 108.800 0.065 0.000 2.189 206 G HA2 -0.386 3.560 3.960 -0.023 0.000 0.267 206 G HA3 -0.386 3.560 3.960 -0.023 0.000 0.267 206 G C 0.258 175.231 174.900 0.120 0.000 0.975 206 G CA 0.951 46.090 45.100 0.065 0.000 0.644 206 G HN 0.311 nan 8.290 nan 0.000 0.537 207 K N 0.802 121.271 120.400 0.115 0.000 2.274 207 K HA 0.691 4.998 4.320 -0.023 0.000 0.262 207 K C 0.525 177.085 176.600 -0.068 0.000 0.961 207 K CA -0.041 56.258 56.287 0.020 0.000 0.833 207 K CB 1.187 33.674 32.500 -0.022 0.000 1.102 207 K HN 0.504 nan 8.250 nan 0.000 0.436 208 A N 3.286 125.950 122.820 -0.260 0.000 2.524 208 A HA 0.318 4.624 4.320 -0.023 0.000 0.250 208 A C -0.199 177.169 177.584 -0.360 0.000 1.078 208 A CA -0.188 51.471 52.037 -0.629 0.000 0.761 208 A CB -0.129 18.280 19.000 -0.984 0.000 1.012 208 A HN 0.564 nan 8.150 nan 0.000 0.500 209 V N 1.154 121.005 119.914 -0.105 0.000 2.969 209 V HA 0.648 4.755 4.120 -0.023 0.000 0.304 209 V C -0.781 175.469 176.094 0.260 0.000 1.192 209 V CA -0.812 61.548 62.300 0.101 0.000 0.962 209 V CB 0.971 32.834 31.823 0.067 0.000 1.045 209 V HN 0.994 nan 8.190 nan 0.000 0.428 210 H N 1.304 120.521 119.070 0.244 0.000 2.710 210 H HA 0.725 5.270 4.556 -0.018 0.000 0.361 210 H C -0.474 174.948 175.328 0.156 0.000 1.175 210 H CA -0.981 55.140 56.048 0.122 0.000 1.206 210 H CB 2.394 32.090 29.762 -0.110 0.000 1.750 210 H HN 0.771 nan 8.280 nan 0.000 0.553 211 V N 2.535 122.624 119.914 0.292 0.000 2.637 211 V HA 0.042 4.148 4.120 -0.023 0.000 0.296 211 V C 0.075 176.287 176.094 0.198 0.000 1.046 211 V CA -0.060 62.377 62.300 0.228 0.000 1.066 211 V CB 0.755 32.714 31.823 0.227 0.000 0.968 211 V HN 0.857 nan 8.190 nan 0.000 0.483 212 S N 7.534 123.338 115.700 0.173 0.000 2.565 212 S HA 0.530 4.986 4.470 -0.023 0.000 0.276 212 S C -2.464 172.227 174.600 0.151 0.000 1.326 212 S CA -1.140 57.145 58.200 0.141 0.000 1.045 212 S CB 0.858 64.122 63.200 0.107 0.000 0.918 212 S HN 0.761 nan 8.310 nan 0.000 0.505 213 P HA 0.448 nan 4.420 nan 0.000 0.265 213 P C 0.212 177.562 177.300 0.083 0.000 1.193 213 P CA 0.071 63.215 63.100 0.073 0.000 0.765 213 P CB 0.405 32.130 31.700 0.041 0.000 0.823 214 G N 0.652 109.500 108.800 0.081 0.000 2.727 214 G HA2 0.602 4.548 3.960 -0.023 0.000 0.289 214 G HA3 0.602 4.548 3.960 -0.023 0.000 0.289 214 G C -1.475 173.431 174.900 0.010 0.000 1.418 214 G CA -0.656 44.487 45.100 0.072 0.000 0.818 214 G HN 0.525 nan 8.290 nan 0.000 0.486 215 A N -0.342 122.478 122.820 0.000 0.000 2.450 215 A HA 0.566 4.873 4.320 -0.023 0.000 0.255 215 A C 1.143 178.700 177.584 -0.045 0.000 1.096 215 A CA 0.091 52.110 52.037 -0.029 0.000 0.778 215 A CB -0.458 18.522 19.000 -0.033 0.000 1.031 215 A HN 1.627 nan 8.150 nan 0.000 0.494 216 L N 0.931 122.095 121.223 -0.099 0.000 3.865 216 L HA -0.279 4.048 4.340 -0.023 0.000 0.408 216 L C 0.963 177.650 176.870 -0.304 0.000 1.209 216 L CA 0.616 55.355 54.840 -0.169 0.000 0.940 216 L CB -1.553 40.471 42.059 -0.058 0.000 1.971 216 L HN 1.006 nan 8.230 nan 0.000 0.899 217 D N -0.336 119.817 120.400 -0.412 0.000 2.194 217 D HA -0.042 4.584 4.640 -0.023 0.000 0.204 217 D C 1.910 177.792 176.300 -0.697 0.000 0.964 217 D CA 1.089 54.523 54.000 -0.943 0.000 0.846 217 D CB 0.024 40.408 40.800 -0.693 0.000 0.962 217 D HN 0.425 nan 8.370 nan 0.000 0.490 218 A N 0.679 123.258 122.820 -0.400 0.000 1.933 218 A HA -0.167 4.140 4.320 -0.023 0.000 0.218 218 A C 1.992 179.381 177.584 -0.325 0.000 1.175 218 A CA 1.548 53.437 52.037 -0.248 0.000 0.628 218 A CB -0.511 18.427 19.000 -0.103 0.000 0.814 218 A HN 0.175 nan 8.150 nan 0.000 0.444 219 E N -0.874 118.952 120.200 -0.624 0.000 2.299 219 E HA 0.255 4.592 4.350 -0.023 0.000 0.193 219 E C 1.737 178.180 176.600 -0.261 0.000 0.998 219 E CA 0.948 56.857 56.400 -0.819 0.000 0.851 219 E CB -0.002 29.171 29.700 -0.880 0.000 0.795 219 E HN 0.590 nan 8.360 nan 0.000 0.492 220 A N -0.420 122.295 122.820 -0.176 0.000 1.997 220 A HA 0.136 4.442 4.320 -0.023 0.000 0.198 220 A C 0.819 178.505 177.584 0.170 0.000 1.449 220 A CA 0.263 52.334 52.037 0.057 0.000 0.908 220 A CB 0.086 19.187 19.000 0.168 0.000 0.984 220 A HN 0.338 nan 8.150 nan 0.000 0.487 221 Y N -3.077 117.244 120.300 0.035 0.000 2.863 221 Y HA 0.541 5.077 4.550 -0.024 0.000 0.254 221 Y C 0.918 176.835 175.900 0.028 0.000 1.124 221 Y CA -0.284 57.843 58.100 0.046 0.000 1.203 221 Y CB -0.269 38.219 38.460 0.047 0.000 1.269 221 Y HN 0.030 nan 8.280 nan 0.000 0.586 222 G N 0.646 109.387 108.800 -0.098 0.000 3.088 222 G HA2 0.303 4.249 3.960 -0.023 0.000 0.217 222 G HA3 0.303 4.249 3.960 -0.023 0.000 0.217 222 G C -0.242 174.626 174.900 -0.053 0.000 1.159 222 G CA 0.087 45.124 45.100 -0.105 0.000 0.760 222 G HN 0.125 nan 8.290 nan 0.000 0.550 223 V N 0.833 120.724 119.914 -0.039 0.000 2.498 223 V HA 0.380 4.486 4.120 -0.023 0.000 0.279 223 V C -0.324 175.683 176.094 -0.145 0.000 1.048 223 V CA -0.423 61.803 62.300 -0.123 0.000 0.967 223 V CB 1.319 33.000 31.823 -0.237 0.000 0.988 223 V HN 0.143 nan 8.190 nan 0.000 0.473 224 K N 2.764 123.044 120.400 -0.199 0.000 2.270 224 K HA 0.774 5.080 4.320 -0.023 0.000 0.255 224 K C -0.465 176.013 176.600 -0.202 0.000 0.936 224 K CA -0.145 56.020 56.287 -0.203 0.000 0.809 224 K CB 1.977 34.276 32.500 -0.334 0.000 1.131 224 K HN 0.684 nan 8.250 nan 0.000 0.427 225 S N 0.313 115.951 115.700 -0.103 0.000 2.638 225 S HA 0.594 5.051 4.470 -0.023 0.000 0.274 225 S C -1.004 173.644 174.600 0.081 0.000 1.157 225 S CA -0.727 57.409 58.200 -0.106 0.000 0.826 225 S CB 1.002 64.103 63.200 -0.164 0.000 1.139 225 S HN 0.689 nan 8.310 nan 0.000 0.474 226 T N 0.079 114.673 114.554 0.066 0.000 2.862 226 T HA 0.499 4.835 4.350 -0.023 0.000 0.276 226 T C 1.168 175.956 174.700 0.147 0.000 0.974 226 T CA -0.472 61.719 62.100 0.151 0.000 0.966 226 T CB 0.649 69.569 68.868 0.085 0.000 1.072 226 T HN 0.431 nan 8.240 nan 0.000 0.538 227 I N 0.437 121.101 120.570 0.156 0.000 2.676 227 I HA 0.044 4.200 4.170 -0.023 0.000 0.259 227 I C 2.251 178.449 176.117 0.136 0.000 1.194 227 I CA 1.158 62.550 61.300 0.153 0.000 1.473 227 I CB -0.643 37.461 38.000 0.173 0.000 1.096 227 I HN 0.790 nan 8.210 nan 0.000 0.443 228 E N -0.013 120.162 120.200 -0.041 0.000 2.072 228 E HA -0.195 4.142 4.350 -0.023 0.000 0.190 228 E C 1.471 178.123 176.600 0.086 0.000 0.982 228 E CA 1.315 57.685 56.400 -0.049 0.000 0.803 228 E CB -0.095 29.493 29.700 -0.186 0.000 0.755 228 E HN 0.455 nan 8.360 nan 0.000 0.453 229 D N 0.024 120.453 120.400 0.050 0.000 2.183 229 D HA -0.075 4.551 4.640 -0.023 0.000 0.203 229 D C 1.748 178.131 176.300 0.138 0.000 0.969 229 D CA 0.797 54.816 54.000 0.032 0.000 0.842 229 D CB 0.079 40.821 40.800 -0.097 0.000 0.957 229 D HN 0.064 nan 8.370 nan 0.000 0.484 230 M N 0.074 119.780 119.600 0.177 0.000 2.349 230 M HA 0.097 4.563 4.480 -0.023 0.000 0.266 230 M C 2.115 178.584 176.300 0.281 0.000 1.076 230 M CA 0.439 55.906 55.300 0.279 0.000 1.126 230 M CB -0.839 31.909 32.600 0.248 0.000 1.392 230 M HN -0.034 nan 8.290 nan 0.000 0.440 231 A N 0.487 123.452 122.820 0.241 0.000 1.898 231 A HA -0.140 4.167 4.320 -0.023 0.000 0.216 231 A C 2.337 179.991 177.584 0.118 0.000 1.181 231 A CA 1.281 53.428 52.037 0.185 0.000 0.620 231 A CB -0.505 18.650 19.000 0.259 0.000 0.819 231 A HN 0.442 nan 8.150 nan 0.000 0.442 232 R N -1.633 118.954 120.500 0.145 0.000 2.115 232 R HA -0.150 4.176 4.340 -0.023 0.000 0.230 232 R C 2.156 178.554 176.300 0.163 0.000 1.111 232 R CA 1.316 57.481 56.100 0.108 0.000 0.976 232 R CB -0.366 29.994 30.300 0.099 0.000 0.870 232 R HN 0.868 nan 8.270 nan 0.000 0.445 233 W N 1.067 122.377 121.300 0.017 0.000 2.381 233 W HA -0.167 4.480 4.660 -0.022 0.000 0.301 233 W C 1.443 177.901 176.519 -0.102 0.000 1.205 233 W CA 1.029 58.379 57.345 0.008 0.000 1.285 233 W CB 0.105 29.620 29.460 0.090 0.000 1.133 233 W HN -0.125 nan 8.180 nan 0.000 0.521 234 V N 1.018 120.869 119.914 -0.105 0.000 2.358 234 V HA -0.324 3.782 4.120 -0.023 0.000 0.246 234 V C 2.327 178.089 176.094 -0.552 0.000 1.047 234 V CA 2.338 64.366 62.300 -0.452 0.000 1.035 234 V CB -1.087 30.598 31.823 -0.230 0.000 0.658 234 V HN 0.145 nan 8.190 nan 0.000 0.452 235 Q N 0.386 120.008 119.800 -0.297 0.000 2.167 235 Q HA -0.135 4.191 4.340 -0.023 0.000 0.202 235 Q C 2.302 178.121 176.000 -0.303 0.000 0.970 235 Q CA 2.103 57.745 55.803 -0.269 0.000 0.855 235 Q CB -0.426 28.224 28.738 -0.147 0.000 0.911 235 Q HN 0.614 nan 8.270 nan 0.000 0.438 236 S N 0.381 115.909 115.700 -0.286 0.000 2.387 236 S HA -0.013 4.444 4.470 -0.023 0.000 0.226 236 S C 1.503 175.853 174.600 -0.416 0.000 1.026 236 S CA 1.006 59.050 58.200 -0.259 0.000 0.972 236 S CB -0.213 62.905 63.200 -0.136 0.000 0.814 236 S HN 0.498 nan 8.310 nan 0.000 0.477 237 N N 1.116 119.400 118.700 -0.693 0.000 2.409 237 N HA 0.132 4.858 4.740 -0.023 0.000 0.179 237 N C 1.533 176.544 175.510 -0.832 0.000 1.032 237 N CA 0.484 53.023 53.050 -0.851 0.000 0.898 237 N CB -0.097 37.652 38.487 -1.231 0.000 0.971 237 N HN 0.331 nan 8.380 nan 0.000 0.441 238 L N 0.285 121.016 121.223 -0.820 0.000 2.109 238 L HA -0.005 4.322 4.340 -0.023 0.000 0.207 238 L C 1.060 177.755 176.870 -0.292 0.000 1.086 238 L CA 1.068 55.600 54.840 -0.513 0.000 0.760 238 L CB 0.129 41.931 42.059 -0.428 0.000 0.910 238 L HN -0.078 nan 8.230 nan 0.000 0.437 239 K N -0.918 119.319 120.400 -0.272 0.000 3.146 239 K HA 0.187 4.493 4.320 -0.023 0.000 0.168 239 K C -1.945 174.560 176.600 -0.158 0.000 1.075 239 K CA -1.070 55.108 56.287 -0.181 0.000 0.843 239 K CB 1.101 33.506 32.500 -0.159 0.000 1.002 239 K HN -0.147 nan 8.250 nan 0.000 0.597 240 P HA -0.154 nan 4.420 nan 0.000 0.222 240 P C 1.009 178.261 177.300 -0.080 0.000 1.147 240 P CA 0.603 63.631 63.100 -0.120 0.000 0.790 240 P CB 0.276 31.911 31.700 -0.108 0.000 0.780 241 L N 0.144 121.322 121.223 -0.076 0.000 2.291 241 L HA -0.057 4.270 4.340 -0.023 0.000 0.214 241 L C 1.556 178.394 176.870 -0.053 0.000 1.120 241 L CA 1.626 56.432 54.840 -0.057 0.000 0.799 241 L CB -1.741 40.285 42.059 -0.055 0.000 0.925 241 L HN -0.009 nan 8.230 nan 0.000 0.446 242 D N 0.154 120.517 120.400 -0.062 0.000 2.309 242 D HA -0.047 4.580 4.640 -0.023 0.000 0.212 242 D C 1.013 177.286 176.300 -0.044 0.000 0.968 242 D CA 0.549 54.516 54.000 -0.055 0.000 0.882 242 D CB 0.062 40.824 40.800 -0.064 0.000 0.918 242 D HN 0.259 nan 8.370 nan 0.000 0.503 243 I N 1.793 122.337 120.570 -0.043 0.000 2.471 243 I HA -0.026 4.131 4.170 -0.023 0.000 0.286 243 I C 1.437 177.542 176.117 -0.021 0.000 1.079 243 I CA -0.216 61.068 61.300 -0.027 0.000 1.398 243 I CB 0.700 38.686 38.000 -0.022 0.000 1.403 243 I HN -0.174 nan 8.210 nan 0.000 0.530 244 N N 4.118 122.809 118.700 -0.016 0.000 2.396 244 N HA -0.066 4.660 4.740 -0.023 0.000 0.180 244 N C 0.038 175.541 175.510 -0.011 0.000 1.028 244 N CA 0.752 53.793 53.050 -0.015 0.000 0.893 244 N CB 0.110 38.588 38.487 -0.015 0.000 0.967 244 N HN 0.571 nan 8.380 nan 0.000 0.440 245 E N 0.802 120.997 120.200 -0.007 0.000 2.130 245 E HA 0.162 4.498 4.350 -0.023 0.000 0.284 245 E C 0.672 177.270 176.600 -0.004 0.000 1.018 245 E CA -0.092 56.305 56.400 -0.005 0.000 0.817 245 E CB 1.235 30.935 29.700 -0.001 0.000 1.078 245 E HN 0.053 nan 8.360 nan 0.000 0.396 246 K N 1.130 121.526 120.400 -0.006 0.000 2.025 246 K HA -0.131 4.175 4.320 -0.023 0.000 0.207 246 K C 1.875 178.475 176.600 -0.000 0.000 1.049 246 K CA 1.769 58.053 56.287 -0.005 0.000 0.933 246 K CB -0.095 32.401 32.500 -0.006 0.000 0.714 246 K HN 0.589 nan 8.250 nan 0.000 0.438 247 T N 0.385 114.940 114.554 0.001 0.000 2.867 247 T HA -0.109 4.227 4.350 -0.023 0.000 0.268 247 T C 1.875 176.585 174.700 0.016 0.000 1.057 247 T CA 0.710 62.814 62.100 0.007 0.000 1.136 247 T CB -0.205 68.664 68.868 0.002 0.000 0.874 247 T HN 0.011 nan 8.240 nan 0.000 0.466 248 L N 1.453 122.686 121.223 0.017 0.000 2.027 248 L HA 0.040 4.367 4.340 -0.023 0.000 0.206 248 L C 2.839 179.726 176.870 0.029 0.000 1.074 248 L CA 1.946 56.806 54.840 0.034 0.000 0.745 248 L CB -1.148 40.934 42.059 0.039 0.000 0.898 248 L HN 0.444 nan 8.230 nan 0.000 0.433 249 Q N -0.868 118.938 119.800 0.009 0.000 2.045 249 Q HA -0.348 3.978 4.340 -0.023 0.000 0.206 249 Q C 2.262 178.261 176.000 -0.003 0.000 0.991 249 Q CA 2.461 58.259 55.803 -0.009 0.000 0.851 249 Q CB -0.280 28.448 28.738 -0.017 0.000 0.911 249 Q HN 0.626 nan 8.270 nan 0.000 0.418 250 Q N -0.160 119.644 119.800 0.007 0.000 2.084 250 Q HA -0.094 4.232 4.340 -0.023 0.000 0.202 250 Q C 1.941 177.964 176.000 0.039 0.000 0.978 250 Q CA 2.183 57.996 55.803 0.016 0.000 0.844 250 Q CB -0.866 27.883 28.738 0.018 0.000 0.898 250 Q HN 0.531 nan 8.270 nan 0.000 0.426 251 G N 0.292 109.123 108.800 0.052 0.000 2.422 251 G HA2 -0.213 3.734 3.960 -0.023 0.000 0.218 251 G HA3 -0.213 3.734 3.960 -0.023 0.000 0.218 251 G C 1.419 176.382 174.900 0.104 0.000 1.146 251 G CA 0.947 46.098 45.100 0.085 0.000 0.769 251 G HN 0.423 nan 8.290 nan 0.000 0.547 252 I N 0.210 120.821 120.570 0.069 0.000 2.179 252 I HA -0.212 3.944 4.170 -0.023 0.000 0.242 252 I C 3.029 179.170 176.117 0.040 0.000 1.088 252 I CA 1.206 62.532 61.300 0.044 0.000 1.357 252 I CB -0.243 37.726 38.000 -0.051 0.000 1.051 252 I HN 0.214 nan 8.210 nan 0.000 0.409 253 Q N 0.404 120.213 119.800 0.015 0.000 2.096 253 Q HA -0.190 4.136 4.340 -0.023 0.000 0.204 253 Q C 2.333 178.358 176.000 0.040 0.000 0.982 253 Q CA 1.422 57.228 55.803 0.004 0.000 0.850 253 Q CB -0.175 28.555 28.738 -0.014 0.000 0.901 253 Q HN 0.523 nan 8.270 nan 0.000 0.422 254 L N -0.129 121.145 121.223 0.085 0.000 2.141 254 L HA -0.107 4.219 4.340 -0.023 0.000 0.209 254 L C 2.355 179.370 176.870 0.241 0.000 1.094 254 L CA 0.720 55.648 54.840 0.146 0.000 0.763 254 L CB -0.431 41.727 42.059 0.164 0.000 0.908 254 L HN 0.200 nan 8.230 nan 0.000 0.437 255 A N -0.807 122.154 122.820 0.235 0.000 2.066 255 A HA -0.153 4.154 4.320 -0.023 0.000 0.218 255 A C 2.061 179.863 177.584 0.363 0.000 1.157 255 A CA 1.026 53.258 52.037 0.325 0.000 0.670 255 A CB -0.198 19.022 19.000 0.367 0.000 0.804 255 A HN 0.472 nan 8.150 nan 0.000 0.453 256 Q N -0.003 119.921 119.800 0.207 0.000 2.319 256 Q HA 0.184 4.511 4.340 -0.023 0.000 0.202 256 Q C -0.092 175.910 176.000 0.004 0.000 0.896 256 Q CA -0.310 55.546 55.803 0.090 0.000 0.942 256 Q CB 0.415 29.129 28.738 -0.039 0.000 1.083 256 Q HN 0.497 nan 8.270 nan 0.000 0.510 257 S N 0.990 116.674 115.700 -0.026 0.000 2.579 257 S HA 0.192 4.648 4.470 -0.023 0.000 0.275 257 S C 0.072 174.458 174.600 -0.356 0.000 1.345 257 S CA -0.072 57.963 58.200 -0.276 0.000 1.031 257 S CB 0.539 63.442 63.200 -0.496 0.000 0.892 257 S HN 0.229 nan 8.310 nan 0.000 0.529 258 R N 1.583 121.845 120.500 -0.397 0.000 2.233 258 R HA 0.240 4.567 4.340 -0.023 0.000 0.334 258 R C -0.320 175.792 176.300 -0.313 0.000 1.037 258 R CA -0.151 55.827 56.100 -0.204 0.000 0.920 258 R CB 0.331 30.499 30.300 -0.221 0.000 1.137 258 R HN 0.679 nan 8.270 nan 0.000 0.492 259 Y N 0.615 120.896 120.300 -0.033 0.000 2.347 259 Y HA 0.090 4.626 4.550 -0.023 0.000 0.294 259 Y C 0.215 175.775 175.900 -0.566 0.000 1.117 259 Y CA 0.550 58.468 58.100 -0.303 0.000 1.184 259 Y CB 0.439 38.741 38.460 -0.263 0.000 1.047 259 Y HN 0.442 nan 8.280 nan 0.000 0.546 260 W N -0.485 120.971 121.300 0.260 0.000 3.107 260 W HA 0.549 5.196 4.660 -0.022 0.000 0.331 260 W C -0.897 175.724 176.519 0.170 0.000 1.204 260 W CA -1.002 56.454 57.345 0.185 0.000 1.184 260 W CB 1.140 30.694 29.460 0.156 0.000 1.421 260 W HN -0.464 nan 8.180 nan 0.000 0.544 261 Q N 0.902 120.894 119.800 0.319 0.000 2.353 261 Q HA 0.694 5.020 4.340 -0.023 0.000 0.268 261 Q C -1.186 174.836 176.000 0.037 0.000 1.045 261 Q CA -0.380 55.453 55.803 0.050 0.000 0.811 261 Q CB 2.092 30.804 28.738 -0.043 0.000 1.305 261 Q HN 0.463 nan 8.270 nan 0.000 0.447 262 T N 3.137 117.656 114.554 -0.058 0.000 3.089 262 T HA 0.524 4.861 4.350 -0.023 0.000 0.340 262 T C 0.039 174.687 174.700 -0.086 0.000 1.008 262 T CA 0.276 62.353 62.100 -0.038 0.000 1.096 262 T CB 0.882 69.753 68.868 0.006 0.000 1.024 262 T HN 1.019 nan 8.240 nan 0.000 0.477 263 G N 3.778 112.525 108.800 -0.087 0.000 2.543 263 G HA2 -0.262 3.684 3.960 -0.023 0.000 0.286 263 G HA3 -0.262 3.684 3.960 -0.023 0.000 0.286 263 G C 0.295 175.108 174.900 -0.146 0.000 1.153 263 G CA 0.396 45.443 45.100 -0.088 0.000 0.968 263 G HN 0.585 nan 8.290 nan 0.000 0.544 264 D N 1.035 121.356 120.400 -0.131 0.000 2.339 264 D HA 0.189 4.815 4.640 -0.023 0.000 0.217 264 D C 1.196 177.359 176.300 -0.228 0.000 1.050 264 D CA 0.264 54.172 54.000 -0.153 0.000 0.856 264 D CB 0.209 40.972 40.800 -0.061 0.000 0.922 264 D HN 0.315 nan 8.370 nan 0.000 0.518 265 M N 0.556 120.009 119.600 -0.244 0.000 2.478 265 M HA 0.287 4.753 4.480 -0.023 0.000 0.327 265 M C -1.495 174.606 176.300 -0.332 0.000 1.187 265 M CA -0.481 54.736 55.300 -0.138 0.000 1.022 265 M CB 1.405 34.016 32.600 0.018 0.000 1.629 265 M HN -0.194 nan 8.290 nan 0.000 0.461 266 Y N 1.555 121.927 120.300 0.121 0.000 2.361 266 Y HA 0.340 4.876 4.550 -0.023 0.000 0.337 266 Y C -0.355 175.662 175.900 0.196 0.000 0.965 266 Y CA -0.838 57.347 58.100 0.143 0.000 1.091 266 Y CB 1.596 40.107 38.460 0.085 0.000 1.182 266 Y HN 0.545 nan 8.280 nan 0.000 0.450 267 Q N 2.217 122.264 119.800 0.411 0.000 2.322 267 Q HA 0.532 4.858 4.340 -0.023 0.000 0.256 267 Q C 0.082 176.350 176.000 0.445 0.000 0.960 267 Q CA -0.161 55.886 55.803 0.406 0.000 0.934 267 Q CB 1.098 30.103 28.738 0.445 0.000 1.200 267 Q HN 0.894 nan 8.270 nan 0.000 0.435 268 G N 2.802 111.836 108.800 0.389 0.000 2.574 268 G HA2 0.458 4.405 3.960 -0.023 0.000 0.248 268 G HA3 0.458 4.405 3.960 -0.023 0.000 0.248 268 G C -0.849 174.207 174.900 0.261 0.000 1.422 268 G CA -0.815 44.543 45.100 0.431 0.000 1.051 268 G HN 0.614 nan 8.290 nan 0.000 0.560 269 L N 1.086 122.442 121.223 0.221 0.000 2.288 269 L HA 0.461 4.788 4.340 -0.023 0.000 0.283 269 L C 1.361 178.273 176.870 0.071 0.000 1.072 269 L CA 0.382 55.234 54.840 0.020 0.000 0.862 269 L CB 0.340 42.398 42.059 -0.002 0.000 1.245 269 L HN 1.031 nan 8.230 nan 0.000 0.432 270 G N 1.757 110.570 108.800 0.022 0.000 3.909 270 G HA2 -0.295 3.652 3.960 -0.023 0.000 0.218 270 G HA3 -0.295 3.652 3.960 -0.023 0.000 0.218 270 G C -0.014 174.904 174.900 0.029 0.000 1.404 270 G CA -0.260 44.837 45.100 -0.004 0.000 0.905 270 G HN 0.507 nan 8.290 nan 0.000 0.589 271 W N 2.541 123.952 121.300 0.185 0.000 2.193 271 W HA 0.546 5.193 4.660 -0.022 0.000 0.338 271 W C 0.822 177.442 176.519 0.169 0.000 1.310 271 W CA -0.052 57.387 57.345 0.158 0.000 1.243 271 W CB 0.355 29.872 29.460 0.095 0.000 1.165 271 W HN 0.350 nan 8.180 nan 0.000 0.566 272 E N 1.756 122.232 120.200 0.460 0.000 2.227 272 E HA 0.597 4.933 4.350 -0.023 0.000 0.268 272 E C -0.869 175.802 176.600 0.118 0.000 0.907 272 E CA -1.208 55.376 56.400 0.307 0.000 0.786 272 E CB 1.688 31.598 29.700 0.350 0.000 1.191 272 E HN 0.174 nan 8.360 nan 0.000 0.411 273 M N 2.013 121.692 119.600 0.131 0.000 2.446 273 M HA 0.424 4.891 4.480 -0.023 0.000 0.294 273 M C -1.547 174.891 176.300 0.231 0.000 1.158 273 M CA -0.316 55.043 55.300 0.099 0.000 0.899 273 M CB 1.698 34.347 32.600 0.082 0.000 1.687 273 M HN 0.294 nan 8.290 nan 0.000 0.455 274 L N 1.089 122.448 121.223 0.227 0.000 2.341 274 L HA 0.556 4.882 4.340 -0.023 0.000 0.267 274 L C -0.481 176.564 176.870 0.292 0.000 1.009 274 L CA -0.756 54.261 54.840 0.294 0.000 0.819 274 L CB 1.538 43.712 42.059 0.192 0.000 1.323 274 L HN 0.552 nan 8.230 nan 0.000 0.425 275 D N 1.283 121.855 120.400 0.287 0.000 2.533 275 D HA -0.113 4.513 4.640 -0.023 0.000 0.236 275 D C -0.824 175.626 176.300 0.250 0.000 1.137 275 D CA 0.517 54.644 54.000 0.212 0.000 0.867 275 D CB 0.839 41.736 40.800 0.162 0.000 1.170 275 D HN 0.370 nan 8.370 nan 0.000 0.474 276 W N 4.896 126.259 121.300 0.106 0.000 2.469 276 W HA 0.268 4.914 4.660 -0.023 0.000 0.320 276 W C -2.277 174.297 176.519 0.092 0.000 1.086 276 W CA -1.880 55.545 57.345 0.133 0.000 1.211 276 W CB 1.221 30.775 29.460 0.157 0.000 1.298 276 W HN 0.235 nan 8.180 nan 0.000 0.525 277 P HA 0.158 nan 4.420 nan 0.000 0.275 277 P C -1.181 175.821 177.300 -0.497 0.000 1.228 277 P CA -0.165 62.220 63.100 -1.192 0.000 0.786 277 P CB 2.219 33.383 31.700 -0.893 0.000 0.927 278 V N 2.605 122.257 119.914 -0.436 0.000 2.555 278 V HA 0.281 4.388 4.120 -0.023 0.000 0.302 278 V C -0.085 175.867 176.094 -0.237 0.000 1.038 278 V CA -0.989 61.212 62.300 -0.165 0.000 0.887 278 V CB 1.585 33.409 31.823 0.002 0.000 0.991 278 V HN 0.561 nan 8.190 nan 0.000 0.434 279 N N 6.746 125.307 118.700 -0.231 0.000 2.497 279 N HA 0.260 4.987 4.740 -0.023 0.000 0.268 279 N C -1.888 173.365 175.510 -0.429 0.000 1.171 279 N CA -1.329 51.544 53.050 -0.295 0.000 0.948 279 N CB 2.021 40.385 38.487 -0.206 0.000 1.069 279 N HN 0.431 nan 8.380 nan 0.000 0.460 280 P HA 0.004 nan 4.420 nan 0.000 0.225 280 P C 0.286 177.334 177.300 -0.420 0.000 1.156 280 P CA 0.841 63.471 63.100 -0.783 0.000 0.787 280 P CB 0.460 31.408 31.700 -1.254 0.000 0.802 281 D N -1.209 118.998 120.400 -0.322 0.000 2.317 281 D HA -0.045 4.582 4.640 -0.023 0.000 0.211 281 D C 1.866 178.076 176.300 -0.150 0.000 0.966 281 D CA 0.884 54.764 54.000 -0.199 0.000 0.876 281 D CB -0.197 40.505 40.800 -0.164 0.000 0.927 281 D HN 0.134 nan 8.370 nan 0.000 0.519 282 S N -0.438 115.160 115.700 -0.169 0.000 2.478 282 S HA 0.066 4.522 4.470 -0.023 0.000 0.222 282 S C 1.151 175.709 174.600 -0.069 0.000 1.008 282 S CA -0.216 57.918 58.200 -0.110 0.000 0.928 282 S CB 0.204 63.336 63.200 -0.113 0.000 0.781 282 S HN 0.045 nan 8.310 nan 0.000 0.518 288 D N 1.653 122.045 120.400 -0.012 0.000 2.622 288 D HA 0.245 4.871 4.640 -0.023 0.000 0.262 288 D C -0.001 176.287 176.300 -0.020 0.000 1.189 288 D CA -0.415 53.577 54.000 -0.014 0.000 0.985 288 D CB -0.367 40.423 40.800 -0.016 0.000 0.994 288 D HN 0.454 nan 8.370 nan 0.000 0.513 289 N N 3.699 122.390 118.700 -0.015 0.000 3.111 289 N HA -0.038 4.688 4.740 -0.023 0.000 0.302 289 N C -0.387 175.121 175.510 -0.004 0.000 1.317 289 N CA -0.262 52.781 53.050 -0.011 0.000 1.151 289 N CB 0.171 38.650 38.487 -0.014 0.000 1.456 289 N HN 0.359 nan 8.380 nan 0.000 0.547 290 K N -0.586 119.813 120.400 -0.002 0.000 3.162 290 K HA -0.161 4.146 4.320 -0.023 0.000 0.268 290 K C -0.993 175.609 176.600 0.003 0.000 1.062 290 K CA 0.671 56.959 56.287 0.002 0.000 0.769 290 K CB -2.220 30.284 32.500 0.006 0.000 1.274 290 K HN 0.365 nan 8.250 nan 0.000 0.478 291 I N 0.959 121.531 120.570 0.002 0.000 2.330 291 I HA 0.177 4.333 4.170 -0.023 0.000 0.286 291 I C 1.896 178.017 176.117 0.007 0.000 1.025 291 I CA 0.020 61.323 61.300 0.006 0.000 1.197 291 I CB 0.838 38.841 38.000 0.006 0.000 1.358 291 I HN 0.409 nan 8.210 nan 0.000 0.467 292 A N 6.973 129.798 122.820 0.009 0.000 1.930 292 A HA 0.016 4.322 4.320 -0.023 0.000 0.217 292 A C 0.884 178.477 177.584 0.014 0.000 1.175 292 A CA 1.126 53.169 52.037 0.009 0.000 0.627 292 A CB 0.211 19.218 19.000 0.011 0.000 0.815 292 A HN 0.636 nan 8.150 nan 0.000 0.443 293 L N -1.774 119.464 121.223 0.025 0.000 2.505 293 L HA 0.643 4.969 4.340 -0.023 0.000 0.266 293 L C -1.341 175.556 176.870 0.046 0.000 0.954 293 L CA -0.516 54.349 54.840 0.041 0.000 0.852 293 L CB 2.050 44.142 42.059 0.057 0.000 1.282 293 L HN 0.064 nan 8.230 nan 0.000 0.403 294 A N 4.469 127.317 122.820 0.046 0.000 2.702 294 A HA 0.792 5.099 4.320 -0.023 0.000 0.305 294 A C -0.317 177.291 177.584 0.040 0.000 1.213 294 A CA -0.066 51.992 52.037 0.035 0.000 0.745 294 A CB 1.002 20.012 19.000 0.017 0.000 1.161 294 A HN 0.865 nan 8.150 nan 0.000 0.445 295 A N 3.046 125.904 122.820 0.063 0.000 2.362 295 A HA 0.696 5.002 4.320 -0.023 0.000 0.276 295 A C 0.220 177.745 177.584 -0.099 0.000 1.153 295 A CA -0.238 51.809 52.037 0.016 0.000 0.813 295 A CB 0.276 19.358 19.000 0.136 0.000 1.081 295 A HN 0.647 nan 8.150 nan 0.000 0.507 296 R N 2.505 122.907 120.500 -0.164 0.000 2.621 296 R HA 0.451 4.777 4.340 -0.023 0.000 0.292 296 R C -3.148 173.012 176.300 -0.234 0.000 0.969 296 R CA -2.189 53.817 56.100 -0.156 0.000 0.887 296 R CB 1.766 32.017 30.300 -0.082 0.000 1.180 296 R HN 0.398 nan 8.270 nan 0.000 0.450 297 P HA 0.029 nan 4.420 nan 0.000 0.268 297 P C -0.394 176.838 177.300 -0.113 0.000 1.205 297 P CA -0.272 62.710 63.100 -0.196 0.000 0.771 297 P CB 0.649 32.267 31.700 -0.138 0.000 0.858 298 V N 0.043 119.901 119.914 -0.093 0.000 2.628 298 V HA 0.555 4.661 4.120 -0.023 0.000 0.306 298 V C -0.339 175.858 176.094 0.171 0.000 1.045 298 V CA -1.055 61.269 62.300 0.039 0.000 0.905 298 V CB 1.891 33.691 31.823 -0.037 0.000 0.997 298 V HN 0.273 nan 8.190 nan 0.000 0.436 299 K N 3.191 123.733 120.400 0.237 0.000 2.201 299 K HA 0.751 5.057 4.320 -0.023 0.000 0.278 299 K C 0.203 177.032 176.600 0.381 0.000 1.027 299 K CA -0.140 56.295 56.287 0.248 0.000 0.909 299 K CB 1.811 34.394 32.500 0.138 0.000 1.062 299 K HN 1.053 nan 8.250 nan 0.000 0.465 300 A N 3.686 126.691 122.820 0.308 0.000 2.445 300 A HA 0.234 4.540 4.320 -0.023 0.000 0.242 300 A C -0.089 177.442 177.584 -0.089 0.000 1.075 300 A CA -0.275 51.702 52.037 -0.100 0.000 0.777 300 A CB 0.084 18.988 19.000 -0.160 0.000 1.013 300 A HN 0.571 nan 8.150 nan 0.000 0.493 301 I N 2.642 123.088 120.570 -0.207 0.000 2.330 301 I HA 0.270 4.426 4.170 -0.023 0.000 0.286 301 I C -0.054 175.963 176.117 -0.166 0.000 1.025 301 I CA 0.246 61.473 61.300 -0.121 0.000 1.197 301 I CB 0.427 38.369 38.000 -0.097 0.000 1.358 301 I HN 0.505 nan 8.210 nan 0.000 0.467 302 T N 7.703 122.195 114.554 -0.104 0.000 2.977 302 T HA 0.437 4.774 4.350 -0.023 0.000 0.346 302 T C -1.931 172.730 174.700 -0.066 0.000 1.140 302 T CA -0.919 61.127 62.100 -0.089 0.000 1.040 302 T CB 1.324 70.158 68.868 -0.056 0.000 1.046 302 T HN 0.401 nan 8.240 nan 0.000 0.494 303 P HA 0.501 nan 4.420 nan 0.000 0.278 303 P C -3.026 174.186 177.300 -0.147 0.000 1.266 303 P CA -2.205 60.837 63.100 -0.097 0.000 0.807 303 P CB -0.038 31.618 31.700 -0.073 0.000 1.094 304 P HA 0.058 nan 4.420 nan 0.000 0.265 304 P C -0.293 176.839 177.300 -0.280 0.000 1.193 304 P CA 0.506 63.405 63.100 -0.336 0.000 0.765 304 P CB -0.101 31.247 31.700 -0.587 0.000 0.823 305 T N 5.809 120.197 114.554 -0.277 0.000 2.814 305 T HA 0.221 4.557 4.350 -0.023 0.000 0.297 305 T C -2.110 172.449 174.700 -0.236 0.000 0.956 305 T CA -1.032 60.934 62.100 -0.223 0.000 1.123 305 T CB -0.230 68.499 68.868 -0.232 0.000 0.902 305 T HN 0.270 nan 8.240 nan 0.000 0.528 306 P HA 0.140 nan 4.420 nan 0.000 0.268 306 P C -0.452 176.762 177.300 -0.143 0.000 1.208 306 P CA -0.361 62.651 63.100 -0.147 0.000 0.777 306 P CB 0.304 31.941 31.700 -0.104 0.000 0.875 307 A N 2.953 125.700 122.820 -0.121 0.000 2.567 307 A HA 0.014 4.321 4.320 -0.023 0.000 0.263 307 A C 0.216 177.734 177.584 -0.110 0.000 1.030 307 A CA 0.282 52.252 52.037 -0.111 0.000 0.833 307 A CB -0.929 18.020 19.000 -0.085 0.000 0.924 307 A HN 0.372 nan 8.150 nan 0.000 0.518 308 V N 6.226 126.065 119.914 -0.125 0.000 2.432 308 V HA 0.106 4.212 4.120 -0.023 0.000 0.271 308 V C 1.587 177.632 176.094 -0.082 0.000 1.046 308 V CA -0.270 61.966 62.300 -0.107 0.000 0.945 308 V CB 0.806 32.549 31.823 -0.134 0.000 0.992 308 V HN 1.044 nan 8.190 nan 0.000 0.471 309 R N 3.638 124.102 120.500 -0.060 0.000 2.096 309 R HA -0.042 4.284 4.340 -0.023 0.000 0.235 309 R C 1.305 177.588 176.300 -0.027 0.000 1.127 309 R CA 1.344 57.413 56.100 -0.051 0.000 0.968 309 R CB -0.062 30.212 30.300 -0.043 0.000 0.861 309 R HN 0.738 nan 8.270 nan 0.000 0.440 310 A N 1.810 124.641 122.820 0.018 0.000 3.063 310 A HA 0.240 4.546 4.320 -0.023 0.000 0.263 310 A C -0.546 177.126 177.584 0.147 0.000 1.736 310 A CA 0.035 52.141 52.037 0.115 0.000 1.408 310 A CB 0.029 19.107 19.000 0.131 0.000 1.108 310 A HN 0.047 nan 8.150 nan 0.000 0.621 311 S N 0.601 116.357 115.700 0.094 0.000 2.549 311 S HA 0.441 4.897 4.470 -0.023 0.000 0.280 311 S C -0.869 173.786 174.600 0.091 0.000 1.109 311 S CA -0.589 57.669 58.200 0.097 0.000 0.905 311 S CB 1.092 64.257 63.200 -0.059 0.000 1.081 311 S HN 0.674 nan 8.310 nan 0.000 0.477 312 W N 4.520 125.837 121.300 0.029 0.000 2.433 312 W HA 0.459 5.105 4.660 -0.023 0.000 0.331 312 W C -1.556 174.795 176.519 -0.281 0.000 1.110 312 W CA -0.454 56.848 57.345 -0.072 0.000 1.450 312 W CB 0.294 29.874 29.460 0.201 0.000 1.348 312 W HN 0.342 nan 8.180 nan 0.000 0.415 313 V N 7.957 127.443 119.914 -0.713 0.000 2.407 313 V HA 0.337 4.443 4.120 -0.023 0.000 0.278 313 V C 0.330 175.931 176.094 -0.821 0.000 1.037 313 V CA -0.195 61.566 62.300 -0.899 0.000 0.900 313 V CB 0.899 31.706 31.823 -1.693 0.000 0.983 313 V HN 0.613 nan 8.190 nan 0.000 0.459 314 H N 2.755 121.733 119.070 -0.153 0.000 3.014 314 H HA 0.865 5.408 4.556 -0.022 0.000 0.337 314 H C -1.503 174.034 175.328 0.348 0.000 1.320 314 H CA -1.275 54.793 56.048 0.033 0.000 1.128 314 H CB 2.499 32.312 29.762 0.084 0.000 1.862 314 H HN 0.441 nan 8.280 nan 0.000 0.536 315 K N 1.060 121.731 120.400 0.452 0.000 2.543 315 K HA 0.302 4.609 4.320 -0.023 0.000 0.255 315 K C -1.523 175.202 176.600 0.209 0.000 0.934 315 K CA -0.368 56.121 56.287 0.337 0.000 0.810 315 K CB 2.767 35.375 32.500 0.181 0.000 1.315 315 K HN 0.771 nan 8.250 nan 0.000 0.433 316 T N 1.078 115.791 114.554 0.265 0.000 2.925 316 T HA 0.864 5.200 4.350 -0.023 0.000 0.285 316 T C -0.695 174.117 174.700 0.187 0.000 1.021 316 T CA -0.317 61.961 62.100 0.297 0.000 1.042 316 T CB 0.953 69.972 68.868 0.251 0.000 1.037 316 T HN 0.655 nan 8.240 nan 0.000 0.481 317 G N 0.930 109.832 108.800 0.171 0.000 2.719 317 G HA2 0.731 4.677 3.960 -0.023 0.000 0.298 317 G HA3 0.731 4.677 3.960 -0.023 0.000 0.298 317 G C -1.571 173.412 174.900 0.137 0.000 1.411 317 G CA -0.327 44.863 45.100 0.149 0.000 0.991 317 G HN 0.963 nan 8.290 nan 0.000 0.509 318 A N 0.856 123.750 122.820 0.123 0.000 2.486 318 A HA 0.962 5.268 4.320 -0.023 0.000 0.300 318 A C 0.102 177.766 177.584 0.133 0.000 1.048 318 A CA 0.021 52.138 52.037 0.132 0.000 0.696 318 A CB 1.768 20.815 19.000 0.078 0.000 1.278 318 A HN 1.723 nan 8.150 nan 0.000 0.405 319 T N -1.682 112.994 114.554 0.203 0.000 2.841 319 T HA 0.622 4.958 4.350 -0.023 0.000 0.276 319 T C 1.376 176.186 174.700 0.184 0.000 1.003 319 T CA 0.174 62.378 62.100 0.174 0.000 0.995 319 T CB 0.957 69.972 68.868 0.245 0.000 1.260 319 T HN 1.412 nan 8.240 nan 0.000 0.581 320 G N -0.356 108.538 108.800 0.157 0.000 2.469 320 G HA2 0.106 4.053 3.960 -0.023 0.000 0.220 320 G HA3 0.106 4.053 3.960 -0.023 0.000 0.220 320 G C 1.198 176.191 174.900 0.155 0.000 1.136 320 G CA 0.673 45.852 45.100 0.132 0.000 0.759 320 G HN 1.139 nan 8.290 nan 0.000 0.562 321 G N -1.453 107.487 108.800 0.233 0.000 3.192 321 G HA2 0.466 4.413 3.960 -0.023 0.000 0.239 321 G HA3 0.466 4.413 3.960 -0.023 0.000 0.239 321 G C -0.336 174.558 174.900 -0.011 0.000 1.084 321 G CA -0.435 44.729 45.100 0.106 0.000 0.784 321 G HN 0.198 nan 8.290 nan 0.000 0.540 322 F N -0.426 119.654 119.950 0.216 0.000 2.588 322 F HA 0.679 5.192 4.527 -0.024 0.000 0.310 322 F C 0.267 176.198 175.800 0.218 0.000 1.082 322 F CA -1.143 57.020 58.000 0.271 0.000 0.929 322 F CB 2.487 41.667 39.000 0.299 0.000 1.254 322 F HN -0.003 nan 8.300 nan 0.000 0.455 323 G N 1.024 110.075 108.800 0.420 0.000 2.702 323 G HA2 0.576 4.522 3.960 -0.023 0.000 0.295 323 G HA3 0.576 4.522 3.960 -0.023 0.000 0.295 323 G C -1.505 173.554 174.900 0.266 0.000 1.446 323 G CA -0.576 44.663 45.100 0.232 0.000 0.983 323 G HN 0.551 nan 8.290 nan 0.000 0.520 324 S N 0.396 116.231 115.700 0.224 0.000 2.607 324 S HA 0.797 5.254 4.470 -0.023 0.000 0.303 324 S C -1.562 173.212 174.600 0.291 0.000 1.086 324 S CA -0.640 57.704 58.200 0.241 0.000 0.995 324 S CB 1.952 65.288 63.200 0.227 0.000 1.084 324 S HN 0.659 nan 8.310 nan 0.000 0.507 325 Y N 0.459 120.846 120.300 0.146 0.000 2.436 325 Y HA 0.534 5.070 4.550 -0.023 0.000 0.327 325 Y C -1.891 174.135 175.900 0.210 0.000 1.138 325 Y CA -0.699 57.495 58.100 0.157 0.000 1.042 325 Y CB 0.998 39.538 38.460 0.133 0.000 1.302 325 Y HN 0.471 nan 8.280 nan 0.000 0.439 326 V N 4.944 124.650 119.914 -0.347 0.000 2.577 326 V HA 0.965 5.071 4.120 -0.023 0.000 0.303 326 V C -0.680 175.166 176.094 -0.413 0.000 1.042 326 V CA -0.247 61.970 62.300 -0.139 0.000 0.872 326 V CB 1.348 33.336 31.823 0.274 0.000 0.998 326 V HN 0.967 nan 8.190 nan 0.000 0.423 327 A N 4.809 127.424 122.820 -0.341 0.000 2.498 327 A HA 1.079 5.385 4.320 -0.023 0.000 0.298 327 A C -1.219 176.113 177.584 -0.419 0.000 1.075 327 A CA -0.557 51.150 52.037 -0.550 0.000 0.714 327 A CB 2.019 20.549 19.000 -0.785 0.000 1.299 327 A HN 1.468 nan 8.150 nan 0.000 0.407 328 F N -1.256 118.239 119.950 -0.759 0.000 2.741 328 F HA 0.800 5.313 4.527 -0.023 0.000 0.311 328 F C -1.617 173.814 175.800 -0.615 0.000 1.149 328 F CA -1.165 56.462 58.000 -0.621 0.000 0.930 328 F CB 1.184 39.886 39.000 -0.498 0.000 1.312 328 F HN 0.312 nan 8.300 nan 0.000 0.450 329 I N 2.155 122.538 120.570 -0.312 0.000 2.521 329 I HA 0.308 4.465 4.170 -0.023 0.000 0.277 329 I C -2.202 173.802 176.117 -0.188 0.000 1.054 329 I CA -1.771 59.301 61.300 -0.381 0.000 1.117 329 I CB 1.873 39.482 38.000 -0.652 0.000 1.217 329 I HN 0.361 nan 8.210 nan 0.000 0.469 330 P HA -0.212 nan 4.420 nan 0.000 0.216 330 P C 1.463 178.704 177.300 -0.099 0.000 1.153 330 P CA 1.251 64.311 63.100 -0.067 0.000 0.858 330 P CB 0.366 32.037 31.700 -0.047 0.000 0.789 331 E N 0.048 120.191 120.200 -0.095 0.000 2.097 331 E HA -0.240 4.096 4.350 -0.023 0.000 0.196 331 E C 1.291 177.841 176.600 -0.084 0.000 1.000 331 E CA 1.348 57.709 56.400 -0.065 0.000 0.804 331 E CB -0.120 29.574 29.700 -0.010 0.000 0.740 331 E HN 0.040 nan 8.360 nan 0.000 0.454 332 K N 0.221 120.536 120.400 -0.140 0.000 2.393 332 K HA 0.020 4.326 4.320 -0.023 0.000 0.193 332 K C -0.207 176.299 176.600 -0.156 0.000 1.026 332 K CA 0.481 56.682 56.287 -0.143 0.000 1.064 332 K CB 0.317 32.699 32.500 -0.196 0.000 0.833 332 K HN 0.244 nan 8.250 nan 0.000 0.521 333 E N 0.448 120.556 120.200 -0.153 0.000 2.340 333 E HA -0.222 4.114 4.350 -0.023 0.000 0.240 333 E C -0.741 175.767 176.600 -0.154 0.000 1.154 333 E CA 0.181 56.487 56.400 -0.156 0.000 0.717 333 E CB -1.767 27.838 29.700 -0.159 0.000 1.250 333 E HN 0.040 nan 8.360 nan 0.000 0.386 334 L N -0.445 120.691 121.223 -0.145 0.000 2.445 334 L HA 0.835 5.162 4.340 -0.023 0.000 0.262 334 L C -0.106 176.696 176.870 -0.113 0.000 0.974 334 L CA 0.342 55.116 54.840 -0.110 0.000 0.822 334 L CB 2.252 44.233 42.059 -0.130 0.000 1.339 334 L HN 0.131 nan 8.230 nan 0.000 0.409 335 G N 3.631 112.393 108.800 -0.063 0.000 2.559 335 G HA2 0.637 4.584 3.960 -0.023 0.000 0.291 335 G HA3 0.637 4.584 3.960 -0.023 0.000 0.291 335 G C -2.273 172.625 174.900 -0.003 0.000 1.424 335 G CA -0.389 44.677 45.100 -0.058 0.000 0.786 335 G HN 0.825 nan 8.290 nan 0.000 0.485 336 I N -0.174 120.403 120.570 0.011 0.000 2.743 336 I HA 0.565 4.721 4.170 -0.023 0.000 0.292 336 I C -1.392 174.793 176.117 0.113 0.000 1.343 336 I CA -0.874 60.477 61.300 0.085 0.000 1.038 336 I CB 2.228 40.298 38.000 0.117 0.000 1.311 336 I HN 0.417 nan 8.210 nan 0.000 0.426 337 V N 7.283 127.297 119.914 0.167 0.000 2.588 337 V HA 0.551 4.657 4.120 -0.023 0.000 0.304 337 V C -0.440 175.784 176.094 0.216 0.000 1.042 337 V CA -0.458 61.957 62.300 0.191 0.000 0.877 337 V CB 1.832 33.776 31.823 0.201 0.000 0.996 337 V HN 0.635 nan 8.190 nan 0.000 0.425 338 M N 6.014 125.753 119.600 0.233 0.000 2.134 338 M HA 0.610 5.076 4.480 -0.023 0.000 0.310 338 M C -1.316 175.078 176.300 0.156 0.000 0.966 338 M CA -0.146 55.288 55.300 0.224 0.000 0.922 338 M CB 1.860 34.639 32.600 0.299 0.000 1.537 338 M HN 0.399 nan 8.290 nan 0.000 0.424 339 L N 2.945 124.159 121.223 -0.016 0.000 2.356 339 L HA 0.974 5.300 4.340 -0.023 0.000 0.277 339 L C -0.445 176.247 176.870 -0.296 0.000 0.996 339 L CA -0.702 53.970 54.840 -0.280 0.000 0.822 339 L CB 1.759 43.321 42.059 -0.829 0.000 1.256 339 L HN 0.798 nan 8.230 nan 0.000 0.413 340 A N 2.021 124.934 122.820 0.154 0.000 2.454 340 A HA 0.601 4.907 4.320 -0.023 0.000 0.302 340 A C -0.339 177.614 177.584 0.615 0.000 1.079 340 A CA -0.723 51.565 52.037 0.417 0.000 0.731 340 A CB 1.353 20.598 19.000 0.408 0.000 1.299 340 A HN 0.753 nan 8.150 nan 0.000 0.413 341 N N 0.974 119.959 118.700 0.476 0.000 2.451 341 N HA 0.156 4.883 4.740 -0.023 0.000 0.264 341 N C -0.436 175.087 175.510 0.022 0.000 1.167 341 N CA -0.111 52.919 53.050 -0.034 0.000 0.898 341 N CB 0.284 38.706 38.487 -0.108 0.000 1.176 341 N HN 0.601 nan 8.380 nan 0.000 0.507 342 K N 0.127 120.630 120.400 0.172 0.000 2.498 342 K HA 0.251 4.557 4.320 -0.023 0.000 0.254 342 K C -1.489 175.291 176.600 0.300 0.000 0.933 342 K CA -0.721 55.683 56.287 0.194 0.000 0.806 342 K CB 1.321 33.931 32.500 0.182 0.000 1.301 342 K HN -0.061 nan 8.250 nan 0.000 0.432 343 N N 3.716 122.550 118.700 0.223 0.000 2.448 343 N HA 0.092 4.818 4.740 -0.023 0.000 0.250 343 N C -1.466 174.152 175.510 0.180 0.000 1.136 343 N CA -0.028 53.128 53.050 0.176 0.000 0.953 343 N CB -0.117 38.449 38.487 0.131 0.000 1.251 343 N HN 0.451 nan 8.380 nan 0.000 0.502 344 Y N 1.609 121.953 120.300 0.073 0.000 2.528 344 Y HA 0.775 5.311 4.550 -0.024 0.000 0.335 344 Y C -2.608 173.312 175.900 0.033 0.000 1.093 344 Y CA -3.317 54.810 58.100 0.045 0.000 1.134 344 Y CB -0.084 38.398 38.460 0.036 0.000 1.253 344 Y HN 0.292 nan 8.280 nan 0.000 0.478 345 P HA 0.065 nan 4.420 nan 0.000 0.265 345 P C 0.034 177.242 177.300 -0.153 0.000 1.193 345 P CA 0.222 63.300 63.100 -0.037 0.000 0.765 345 P CB 0.744 32.462 31.700 0.031 0.000 0.823 346 N N 4.436 123.040 118.700 -0.159 0.000 2.091 346 N HA -0.154 4.572 4.740 -0.023 0.000 0.193 346 N C -0.869 174.542 175.510 -0.166 0.000 1.021 346 N CA 1.891 54.830 53.050 -0.185 0.000 0.862 346 N CB -1.841 36.578 38.487 -0.113 0.000 1.018 346 N HN 0.461 nan 8.380 nan 0.000 0.429 347 P HA -0.037 nan 4.420 nan 0.000 0.217 347 P C 1.044 178.316 177.300 -0.046 0.000 1.150 347 P CA 1.469 64.526 63.100 -0.073 0.000 0.832 347 P CB -0.092 31.584 31.700 -0.041 0.000 0.787 348 A N -0.077 122.747 122.820 0.006 0.000 1.972 348 A HA -0.225 4.081 4.320 -0.023 0.000 0.219 348 A C 2.209 179.856 177.584 0.105 0.000 1.169 348 A CA 1.449 53.538 52.037 0.087 0.000 0.635 348 A CB -0.969 18.151 19.000 0.200 0.000 0.810 348 A HN 0.102 nan 8.150 nan 0.000 0.446 349 R N -0.814 119.684 120.500 -0.002 0.000 2.070 349 R HA -0.073 4.254 4.340 -0.023 0.000 0.233 349 R C 2.030 178.171 176.300 -0.265 0.000 1.137 349 R CA 1.531 57.557 56.100 -0.123 0.000 0.945 349 R CB -0.693 29.373 30.300 -0.390 0.000 0.845 349 R HN 0.356 nan 8.270 nan 0.000 0.430 350 V N 1.535 121.230 119.914 -0.366 0.000 2.407 350 V HA -0.248 3.859 4.120 -0.023 0.000 0.248 350 V C 1.868 178.011 176.094 0.081 0.000 1.055 350 V CA 2.148 64.320 62.300 -0.214 0.000 1.049 350 V CB -0.549 31.181 31.823 -0.155 0.000 0.662 350 V HN 0.360 nan 8.190 nan 0.000 0.455 351 D N 0.140 120.570 120.400 0.050 0.000 2.104 351 D HA -0.177 4.449 4.640 -0.023 0.000 0.194 351 D C 2.108 178.532 176.300 0.207 0.000 0.994 351 D CA 1.624 55.693 54.000 0.115 0.000 0.830 351 D CB -0.123 40.712 40.800 0.059 0.000 0.959 351 D HN 0.391 nan 8.370 nan 0.000 0.452 352 A N 0.392 123.307 122.820 0.159 0.000 1.872 352 A HA 0.125 4.431 4.320 -0.023 0.000 0.214 352 A C 2.379 180.096 177.584 0.222 0.000 1.187 352 A CA 1.852 53.981 52.037 0.154 0.000 0.614 352 A CB -1.130 17.933 19.000 0.105 0.000 0.826 352 A HN 0.332 nan 8.150 nan 0.000 0.442 353 A N -1.461 121.540 122.820 0.303 0.000 1.883 353 A HA -0.227 4.079 4.320 -0.023 0.000 0.217 353 A C 2.018 179.923 177.584 0.536 0.000 1.186 353 A CA 1.688 53.992 52.037 0.445 0.000 0.624 353 A CB -0.983 18.436 19.000 0.699 0.000 0.822 353 A HN 0.839 nan 8.150 nan 0.000 0.444 354 W N 0.435 121.984 121.300 0.415 0.000 2.381 354 W HA -0.158 4.488 4.660 -0.023 0.000 0.301 354 W C 2.338 179.005 176.519 0.247 0.000 1.205 354 W CA 1.853 59.404 57.345 0.344 0.000 1.285 354 W CB -0.007 29.505 29.460 0.087 0.000 1.133 354 W HN 0.323 nan 8.180 nan 0.000 0.521 355 Q N 0.157 120.145 119.800 0.314 0.000 2.119 355 Q HA -0.167 4.159 4.340 -0.023 0.000 0.201 355 Q C 2.217 178.205 176.000 -0.020 0.000 0.972 355 Q CA 1.884 57.764 55.803 0.128 0.000 0.847 355 Q CB -0.679 28.165 28.738 0.178 0.000 0.903 355 Q HN 0.473 nan 8.270 nan 0.000 0.433 356 I N 0.184 120.775 120.570 0.036 0.000 2.163 356 I HA -0.259 3.897 4.170 -0.023 0.000 0.240 356 I C 2.241 178.340 176.117 -0.030 0.000 1.081 356 I CA 0.919 62.220 61.300 0.001 0.000 1.353 356 I CB -0.206 37.813 38.000 0.032 0.000 1.054 356 I HN 0.117 nan 8.210 nan 0.000 0.407 357 L N 0.063 121.281 121.223 -0.007 0.000 2.095 357 L HA -0.162 4.164 4.340 -0.023 0.000 0.204 357 L C 2.391 179.207 176.870 -0.090 0.000 1.080 357 L CA 1.116 55.942 54.840 -0.022 0.000 0.759 357 L CB -0.855 41.221 42.059 0.029 0.000 0.914 357 L HN 0.403 nan 8.230 nan 0.000 0.439 358 N N 0.805 119.338 118.700 -0.279 0.000 2.094 358 N HA -0.219 4.507 4.740 -0.023 0.000 0.191 358 N C 1.766 177.170 175.510 -0.176 0.000 1.023 358 N CA 1.592 54.425 53.050 -0.362 0.000 0.857 358 N CB 0.172 37.961 38.487 -1.164 0.000 1.013 358 N HN 0.319 nan 8.380 nan 0.000 0.426 359 A N 0.788 123.513 122.820 -0.159 0.000 2.015 359 A HA 0.011 4.318 4.320 -0.023 0.000 0.219 359 A C 2.087 179.652 177.584 -0.032 0.000 1.163 359 A CA 0.631 52.624 52.037 -0.075 0.000 0.646 359 A CB -0.247 18.712 19.000 -0.069 0.000 0.806 359 A HN 0.332 nan 8.150 nan 0.000 0.448 360 L N -0.504 120.711 121.223 -0.013 0.000 2.567 360 L HA 0.065 4.392 4.340 -0.023 0.000 0.225 360 L C 1.007 177.970 176.870 0.156 0.000 1.119 360 L CA -0.190 54.688 54.840 0.063 0.000 0.871 360 L CB -0.255 41.848 42.059 0.073 0.000 1.036 360 L HN 0.579 nan 8.230 nan 0.000 0.459 361 Q N 0.000 119.859 119.800 0.098 0.000 2.315 361 Q HA 0.000 4.326 4.340 -0.023 0.000 0.214 361 Q CA 0.000 55.872 55.803 0.115 0.000 1.022 361 Q CB 0.000 28.822 28.738 0.140 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481