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 3gc4_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYXXXX DATA SEQUENCE XXXXXXQSEE GVTFXXXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.309 176.300 0.015 0.000 0.893 11 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 11 R CB 0.000 30.297 30.300 -0.006 0.000 0.687 12 P HA 0.122 nan 4.420 nan 0.000 0.274 12 P C -0.147 177.201 177.300 0.080 0.000 1.246 12 P CA -0.474 62.656 63.100 0.049 0.000 0.795 12 P CB 0.849 32.580 31.700 0.051 0.000 1.006 13 R N 0.211 120.780 120.500 0.116 0.000 2.096 13 R HA -0.116 4.273 4.340 0.082 0.000 0.240 13 R C -0.251 176.217 176.300 0.281 0.000 1.139 13 R CA 1.356 57.559 56.100 0.172 0.000 0.952 13 R CB -0.165 30.241 30.300 0.177 0.000 0.854 13 R HN 0.537 nan 8.270 nan 0.000 0.436 14 F N -0.564 119.441 119.950 0.091 0.000 2.639 14 F HA 0.306 4.882 4.527 0.081 0.000 0.326 14 F C -1.600 174.266 175.800 0.110 0.000 1.150 14 F CA -0.562 57.504 58.000 0.111 0.000 1.057 14 F CB 2.006 41.087 39.000 0.135 0.000 1.300 14 F HN -0.123 nan 8.300 nan 0.000 0.486 15 S N 6.433 121.934 115.700 -0.331 0.000 2.668 15 S HA 0.578 5.097 4.470 0.082 0.000 0.277 15 S C -1.997 172.451 174.600 -0.254 0.000 1.170 15 S CA -0.371 57.731 58.200 -0.164 0.000 0.994 15 S CB 0.652 63.816 63.200 -0.059 0.000 1.051 15 S HN 0.552 nan 8.310 nan 0.000 0.484 16 F N 4.698 124.481 119.950 -0.279 0.000 2.411 16 F HA 0.729 5.304 4.527 0.081 0.000 0.352 16 F C -0.156 175.589 175.800 -0.091 0.000 1.123 16 F CA -0.535 57.345 58.000 -0.200 0.000 1.044 16 F CB 1.585 40.533 39.000 -0.087 0.000 1.135 16 F HN 0.466 nan 8.300 nan 0.000 0.461 17 S N 6.891 122.308 115.700 -0.473 0.000 2.502 17 S HA 0.664 5.183 4.470 0.082 0.000 0.304 17 S C -0.693 173.514 174.600 -0.654 0.000 1.097 17 S CA -0.647 57.268 58.200 -0.475 0.000 1.045 17 S CB 0.595 63.655 63.200 -0.232 0.000 1.019 17 S HN 0.556 nan 8.310 nan 0.000 0.481 18 I N 4.580 124.799 120.570 -0.585 0.000 2.304 18 I HA 0.352 4.572 4.170 0.082 0.000 0.291 18 I C 1.057 177.034 176.117 -0.233 0.000 1.018 18 I CA -0.410 60.627 61.300 -0.438 0.000 1.260 18 I CB 1.517 39.297 38.000 -0.368 0.000 1.390 18 I HN 0.836 nan 8.210 nan 0.000 0.475 19 A N 5.326 128.041 122.820 -0.176 0.000 2.044 19 A HA 0.676 5.045 4.320 0.082 0.000 0.213 19 A C 0.902 178.434 177.584 -0.087 0.000 1.169 19 A CA 0.728 52.695 52.037 -0.116 0.000 0.724 19 A CB 0.207 19.150 19.000 -0.095 0.000 0.840 19 A HN 0.741 nan 8.150 nan 0.000 0.463 20 A N -0.914 121.856 122.820 -0.084 0.000 2.608 20 A HA 0.740 5.110 4.320 0.082 0.000 0.292 20 A C -0.814 176.739 177.584 -0.051 0.000 1.066 20 A CA -0.756 51.246 52.037 -0.058 0.000 0.676 20 A CB 1.048 20.018 19.000 -0.050 0.000 1.277 20 A HN 0.262 nan 8.150 nan 0.000 0.413 21 R N 0.095 120.579 120.500 -0.027 0.000 2.771 21 R HA 0.721 5.110 4.340 0.082 0.000 0.274 21 R C -1.359 174.952 176.300 0.019 0.000 0.987 21 R CA -0.696 55.400 56.100 -0.008 0.000 0.908 21 R CB 2.584 32.884 30.300 0.000 0.000 1.213 21 R HN 0.788 nan 8.270 nan 0.000 0.468 22 E N 0.858 121.087 120.200 0.047 0.000 2.378 22 E HA 0.305 4.704 4.350 0.082 0.000 0.282 22 E C -0.002 176.665 176.600 0.113 0.000 0.910 22 E CA 0.158 56.611 56.400 0.089 0.000 0.816 22 E CB 1.136 30.922 29.700 0.142 0.000 1.359 22 E HN 0.797 nan 8.360 nan 0.000 0.397 23 G N 4.577 113.426 108.800 0.082 0.000 2.583 23 G HA2 -0.404 3.605 3.960 0.082 0.000 0.292 23 G HA3 -0.404 3.605 3.960 0.082 0.000 0.292 23 G C 0.654 175.599 174.900 0.074 0.000 1.203 23 G CA 0.546 45.692 45.100 0.077 0.000 0.987 23 G HN 0.577 nan 8.290 nan 0.000 0.554 24 K N 1.424 121.874 120.400 0.084 0.000 2.418 24 K HA 0.466 4.836 4.320 0.082 0.000 0.195 24 K C 1.398 178.054 176.600 0.094 0.000 1.035 24 K CA 0.542 56.879 56.287 0.084 0.000 1.003 24 K CB 0.133 32.678 32.500 0.074 0.000 0.793 24 K HN 0.760 nan 8.250 nan 0.000 0.494 25 A N 1.927 124.809 122.820 0.103 0.000 2.388 25 A HA 0.371 4.741 4.320 0.082 0.000 0.257 25 A C -0.384 177.202 177.584 0.003 0.000 1.095 25 A CA -0.190 51.877 52.037 0.049 0.000 0.791 25 A CB 0.303 19.321 19.000 0.030 0.000 1.029 25 A HN 0.163 nan 8.150 nan 0.000 0.489 26 R N 0.170 120.655 120.500 -0.024 0.000 2.725 26 R HA 0.736 5.125 4.340 0.082 0.000 0.277 26 R C -0.707 175.565 176.300 -0.047 0.000 0.987 26 R CA -0.418 55.668 56.100 -0.023 0.000 0.901 26 R CB 2.059 32.376 30.300 0.028 0.000 1.207 26 R HN 0.636 nan 8.270 nan 0.000 0.463 27 T N 0.067 114.584 114.554 -0.061 0.000 2.886 27 T HA 0.829 5.229 4.350 0.082 0.000 0.292 27 T C -0.584 174.073 174.700 -0.070 0.000 1.012 27 T CA 0.012 62.077 62.100 -0.058 0.000 0.982 27 T CB 1.416 70.227 68.868 -0.096 0.000 1.018 27 T HN 0.773 nan 8.240 nan 0.000 0.451 28 G N 1.851 110.629 108.800 -0.037 0.000 2.450 28 G HA2 0.618 4.627 3.960 0.082 0.000 0.273 28 G HA3 0.618 4.627 3.960 0.082 0.000 0.273 28 G C -0.953 173.943 174.900 -0.007 0.000 1.221 28 G CA 0.032 45.079 45.100 -0.089 0.000 0.900 28 G HN 1.124 nan 8.290 nan 0.000 0.483 29 T N -1.654 112.887 114.554 -0.021 0.000 2.933 29 T HA 0.690 5.089 4.350 0.082 0.000 0.305 29 T C -0.999 173.762 174.700 0.101 0.000 1.092 29 T CA -0.508 61.613 62.100 0.034 0.000 1.008 29 T CB 1.809 70.663 68.868 -0.023 0.000 1.102 29 T HN 0.598 nan 8.240 nan 0.000 0.469 30 I N 2.198 122.818 120.570 0.083 0.000 2.330 30 I HA 0.328 4.547 4.170 0.082 0.000 0.289 30 I C 0.130 176.182 176.117 -0.109 0.000 1.001 30 I CA -0.684 60.584 61.300 -0.053 0.000 1.193 30 I CB 1.325 39.268 38.000 -0.094 0.000 1.345 30 I HN 0.660 nan 8.210 nan 0.000 0.461 31 E N 7.792 127.895 120.200 -0.161 0.000 2.197 31 E HA 0.611 5.010 4.350 0.082 0.000 0.281 31 E C -0.738 175.801 176.600 -0.100 0.000 0.995 31 E CA -0.431 55.908 56.400 -0.102 0.000 0.808 31 E CB 1.721 31.378 29.700 -0.072 0.000 1.093 31 E HN 0.481 nan 8.360 nan 0.000 0.394 32 M N 1.511 121.096 119.600 -0.024 0.000 2.667 32 M HA 0.289 4.818 4.480 0.082 0.000 0.286 32 M C 0.599 176.917 176.300 0.030 0.000 1.270 32 M CA -0.869 54.456 55.300 0.041 0.000 0.826 32 M CB 1.825 34.478 32.600 0.089 0.000 1.743 32 M HN 0.257 nan 8.290 nan 0.000 0.460 33 K N 0.238 120.663 120.400 0.043 0.000 2.103 33 K HA -0.064 4.305 4.320 0.082 0.000 0.207 33 K C 1.473 178.063 176.600 -0.018 0.000 1.048 33 K CA 1.601 57.895 56.287 0.011 0.000 0.930 33 K CB 0.041 32.548 32.500 0.013 0.000 0.716 33 K HN 0.397 nan 8.250 nan 0.000 0.444 34 R N -0.308 120.180 120.500 -0.021 0.000 2.310 34 R HA 0.102 4.491 4.340 0.082 0.000 0.202 34 R C 0.157 176.428 176.300 -0.048 0.000 0.933 34 R CA 0.197 56.262 56.100 -0.058 0.000 1.054 34 R CB 0.780 31.028 30.300 -0.086 0.000 0.985 34 R HN 0.253 nan 8.270 nan 0.000 0.489 35 G N -0.933 107.854 108.800 -0.022 0.000 2.368 35 G HA2 0.026 4.036 3.960 0.082 0.000 0.302 35 G HA3 0.026 4.036 3.960 0.082 0.000 0.302 35 G C -1.589 173.306 174.900 -0.008 0.000 1.329 35 G CA -1.058 44.027 45.100 -0.025 0.000 0.935 35 G HN -0.092 nan 8.290 nan 0.000 0.590 36 V N 0.432 120.339 119.914 -0.011 0.000 2.481 36 V HA 0.634 4.803 4.120 0.082 0.000 0.286 36 V C 0.293 176.395 176.094 0.014 0.000 1.042 36 V CA -0.490 61.805 62.300 -0.007 0.000 0.928 36 V CB 1.429 33.243 31.823 -0.014 0.000 0.986 36 V HN 0.598 nan 8.190 nan 0.000 0.462 37 I N 4.811 125.392 120.570 0.018 0.000 2.355 37 I HA 0.467 4.686 4.170 0.082 0.000 0.288 37 I C 0.256 176.399 176.117 0.043 0.000 0.999 37 I CA -0.488 60.835 61.300 0.038 0.000 1.163 37 I CB 1.264 39.286 38.000 0.036 0.000 1.316 37 I HN 0.505 nan 8.210 nan 0.000 0.454 38 R N 3.896 124.423 120.500 0.044 0.000 2.389 38 R HA 0.416 4.806 4.340 0.082 0.000 0.295 38 R C -0.002 176.335 176.300 0.061 0.000 1.075 38 R CA -0.279 55.846 56.100 0.041 0.000 1.005 38 R CB 0.924 31.239 30.300 0.025 0.000 0.987 38 R HN 0.658 nan 8.270 nan 0.000 0.452 39 T N 0.290 114.887 114.554 0.073 0.000 2.885 39 T HA 0.457 4.856 4.350 0.082 0.000 0.285 39 T C -2.654 172.078 174.700 0.053 0.000 1.019 39 T CA -2.885 59.272 62.100 0.095 0.000 1.010 39 T CB 2.148 71.117 68.868 0.169 0.000 1.022 39 T HN 0.195 nan 8.240 nan 0.000 0.466 40 P HA 0.396 nan 4.420 nan 0.000 0.264 40 P C -0.997 176.398 177.300 0.158 0.000 1.193 40 P CA -0.123 63.055 63.100 0.130 0.000 0.763 40 P CB 0.318 32.117 31.700 0.164 0.000 0.810 41 A N 3.750 126.695 122.820 0.207 0.000 2.337 41 A HA 0.647 5.016 4.320 0.082 0.000 0.329 41 A C -1.309 176.467 177.584 0.319 0.000 1.146 41 A CA -0.503 51.648 52.037 0.190 0.000 0.800 41 A CB 0.418 19.470 19.000 0.086 0.000 1.220 41 A HN 0.469 nan 8.150 nan 0.000 0.472 42 F N 2.686 122.722 119.950 0.142 0.000 2.427 42 F HA 0.644 5.217 4.527 0.077 0.000 0.346 42 F C -0.199 175.644 175.800 0.072 0.000 1.120 42 F CA -0.849 57.243 58.000 0.153 0.000 1.033 42 F CB 1.392 40.475 39.000 0.140 0.000 1.126 42 F HN 0.486 nan 8.300 nan 0.000 0.462 43 M N 8.623 127.729 119.600 -0.824 0.000 2.061 43 M HA 0.337 4.866 4.480 0.082 0.000 0.346 43 M C -2.466 173.332 176.300 -0.837 0.000 1.112 43 M CA -1.843 53.080 55.300 -0.629 0.000 1.021 43 M CB 1.105 33.428 32.600 -0.461 0.000 1.530 43 M HN 0.320 nan 8.290 nan 0.000 0.437 44 P HA 0.065 nan 4.420 nan 0.000 0.268 44 P C -0.644 176.477 177.300 -0.298 0.000 1.205 44 P CA -0.233 62.709 63.100 -0.263 0.000 0.771 44 P CB 0.543 32.156 31.700 -0.144 0.000 0.858 45 V N 3.000 122.787 119.914 -0.211 0.000 2.465 45 V HA 0.537 4.706 4.120 0.082 0.000 0.279 45 V C 1.181 177.167 176.094 -0.180 0.000 1.045 45 V CA 0.235 62.420 62.300 -0.192 0.000 0.938 45 V CB 1.037 32.777 31.823 -0.138 0.000 0.986 45 V HN 0.789 nan 8.190 nan 0.000 0.467 46 G N 2.058 110.740 108.800 -0.197 0.000 4.566 46 G HA2 0.264 4.273 3.960 0.082 0.000 0.307 46 G HA3 0.264 4.273 3.960 0.082 0.000 0.307 46 G C 0.629 175.435 174.900 -0.156 0.000 1.383 46 G CA 0.024 45.019 45.100 -0.176 0.000 0.910 46 G HN 0.637 nan 8.290 nan 0.000 0.538 47 T N 1.401 115.845 114.554 -0.182 0.000 2.597 47 T HA -0.192 4.207 4.350 0.082 0.000 0.267 47 T C 2.208 176.832 174.700 -0.126 0.000 1.053 47 T CA 2.127 64.071 62.100 -0.259 0.000 1.165 47 T CB 0.050 68.664 68.868 -0.424 0.000 0.863 47 T HN 0.569 nan 8.240 nan 0.000 0.427 48 A N 0.039 122.823 122.820 -0.060 0.000 2.988 48 A HA 0.693 5.062 4.320 0.082 0.000 0.288 48 A C 1.144 178.745 177.584 0.028 0.000 1.385 48 A CA 0.595 52.641 52.037 0.015 0.000 1.001 48 A CB -1.058 17.958 19.000 0.026 0.000 1.071 48 A HN 0.989 nan 8.150 nan 0.000 0.608 49 A N -1.044 121.785 122.820 0.015 0.000 2.872 49 A HA -0.093 4.276 4.320 0.082 0.000 0.273 49 A C 0.617 178.177 177.584 -0.041 0.000 1.442 49 A CA 1.405 53.459 52.037 0.028 0.000 0.801 49 A CB -2.279 16.834 19.000 0.187 0.000 1.031 49 A HN 2.005 nan 8.150 nan 0.000 0.582 50 T N -1.539 112.973 114.554 -0.069 0.000 3.097 50 T HA 0.491 4.890 4.350 0.082 0.000 0.332 50 T C -0.640 173.999 174.700 -0.102 0.000 1.269 50 T CA 0.264 62.313 62.100 -0.084 0.000 1.076 50 T CB 1.420 70.247 68.868 -0.068 0.000 1.209 50 T HN 1.149 nan 8.240 nan 0.000 0.474 51 V N 6.069 125.912 119.914 -0.117 0.000 2.405 51 V HA 0.307 4.476 4.120 0.082 0.000 0.264 51 V C 0.740 176.790 176.094 -0.074 0.000 1.048 51 V CA -0.440 61.789 62.300 -0.118 0.000 0.966 51 V CB 0.345 32.080 31.823 -0.147 0.000 1.015 51 V HN 0.800 nan 8.190 nan 0.000 0.477 52 K N 4.274 124.636 120.400 -0.064 0.000 2.484 52 K HA 0.314 4.683 4.320 0.082 0.000 0.280 52 K C 1.089 177.666 176.600 -0.038 0.000 1.013 52 K CA 0.777 57.036 56.287 -0.047 0.000 1.029 52 K CB 0.281 32.756 32.500 -0.041 0.000 0.902 52 K HN 1.042 nan 8.250 nan 0.000 0.481 53 A N 2.318 125.117 122.820 -0.035 0.000 2.952 53 A HA -0.186 4.183 4.320 0.082 0.000 0.252 53 A C -0.243 177.329 177.584 -0.020 0.000 1.323 53 A CA 0.737 52.755 52.037 -0.031 0.000 0.957 53 A CB -2.101 16.877 19.000 -0.036 0.000 1.130 53 A HN 0.554 nan 8.150 nan 0.000 0.799 54 L N -0.843 120.370 121.223 -0.016 0.000 2.408 54 L HA 0.469 4.858 4.340 0.082 0.000 0.268 54 L C 0.353 177.230 176.870 0.011 0.000 0.986 54 L CA -0.886 53.956 54.840 0.004 0.000 0.820 54 L CB 1.935 44.000 42.059 0.009 0.000 1.303 54 L HN 0.248 nan 8.230 nan 0.000 0.411 55 K N 2.614 123.033 120.400 0.032 0.000 2.295 55 K HA 0.161 4.530 4.320 0.082 0.000 0.270 55 K C -1.600 175.054 176.600 0.090 0.000 1.011 55 K CA -1.429 54.887 56.287 0.047 0.000 0.953 55 K CB 0.922 33.452 32.500 0.050 0.000 0.956 55 K HN 0.243 nan 8.250 nan 0.000 0.477 56 P HA -0.258 nan 4.420 nan 0.000 0.216 56 P C 0.742 178.211 177.300 0.281 0.000 1.150 56 P CA 1.389 64.657 63.100 0.280 0.000 0.843 56 P CB 0.075 31.980 31.700 0.342 0.000 0.787 57 E N -1.067 119.229 120.200 0.160 0.000 2.153 57 E HA -0.127 4.272 4.350 0.082 0.000 0.194 57 E C 1.310 177.988 176.600 0.131 0.000 0.988 57 E CA 1.411 57.882 56.400 0.119 0.000 0.811 57 E CB -1.432 28.312 29.700 0.072 0.000 0.746 57 E HN 0.156 nan 8.360 nan 0.000 0.466 58 T N 1.318 115.948 114.554 0.126 0.000 2.812 58 T HA -0.066 4.333 4.350 0.082 0.000 0.264 58 T C 2.122 176.904 174.700 0.137 0.000 1.042 58 T CA 1.193 63.363 62.100 0.116 0.000 1.140 58 T CB -0.197 68.727 68.868 0.093 0.000 0.870 58 T HN 0.028 nan 8.240 nan 0.000 0.445 59 V N 1.936 121.946 119.914 0.160 0.000 2.324 59 V HA -0.214 3.956 4.120 0.082 0.000 0.250 59 V C 2.659 178.911 176.094 0.264 0.000 1.060 59 V CA 1.867 64.268 62.300 0.168 0.000 1.042 59 V CB -0.578 31.304 31.823 0.100 0.000 0.650 59 V HN 0.271 nan 8.190 nan 0.000 0.450 60 R N 1.030 121.742 120.500 0.355 0.000 2.075 60 R HA -0.010 4.379 4.340 0.082 0.000 0.232 60 R C 2.160 178.555 176.300 0.159 0.000 1.126 60 R CA 1.817 58.085 56.100 0.280 0.000 0.963 60 R CB -1.061 29.317 30.300 0.131 0.000 0.858 60 R HN 0.415 nan 8.270 nan 0.000 0.435 61 A N -0.252 122.647 122.820 0.132 0.000 1.978 61 A HA -0.177 4.192 4.320 0.082 0.000 0.220 61 A C 2.107 179.755 177.584 0.106 0.000 1.170 61 A CA 2.158 54.257 52.037 0.102 0.000 0.636 61 A CB -1.277 17.781 19.000 0.096 0.000 0.810 61 A HN 0.644 nan 8.150 nan 0.000 0.448 62 T N -4.365 110.262 114.554 0.122 0.000 3.072 62 T HA 0.332 4.732 4.350 0.082 0.000 0.266 62 T C 1.428 176.193 174.700 0.109 0.000 1.127 62 T CA 1.332 63.500 62.100 0.113 0.000 1.107 62 T CB -0.048 68.888 68.868 0.112 0.000 0.910 62 T HN 1.699 nan 8.240 nan 0.000 0.513 63 G N 0.713 109.585 108.800 0.121 0.000 2.192 63 G HA2 0.078 4.087 3.960 0.082 0.000 0.193 63 G HA3 0.078 4.087 3.960 0.082 0.000 0.193 63 G C 0.286 175.274 174.900 0.147 0.000 0.999 63 G CA -0.191 44.977 45.100 0.113 0.000 0.659 63 G HN 1.094 nan 8.290 nan 0.000 0.503 64 A N 0.383 123.318 122.820 0.192 0.000 2.511 64 A HA 0.505 4.874 4.320 0.082 0.000 0.242 64 A C 1.048 178.814 177.584 0.304 0.000 1.069 64 A CA 1.117 53.290 52.037 0.226 0.000 0.763 64 A CB 0.280 19.396 19.000 0.193 0.000 1.001 64 A HN 0.174 nan 8.150 nan 0.000 0.498 65 D N 0.283 120.829 120.400 0.242 0.000 2.388 65 D HA 0.221 4.910 4.640 0.082 0.000 0.208 65 D C 0.186 176.691 176.300 0.342 0.000 1.035 65 D CA 0.868 55.004 54.000 0.227 0.000 0.875 65 D CB 0.440 41.313 40.800 0.122 0.000 0.984 65 D HN 0.567 nan 8.370 nan 0.000 0.508 66 I N 0.510 121.270 120.570 0.316 0.000 2.842 66 I HA 0.287 4.506 4.170 0.082 0.000 0.297 66 I C -1.739 174.335 176.117 -0.071 0.000 1.380 66 I CA -0.929 60.509 61.300 0.229 0.000 1.018 66 I CB 2.183 40.228 38.000 0.075 0.000 1.311 66 I HN -0.213 nan 8.210 nan 0.000 0.439 67 I N 4.090 124.492 120.570 -0.279 0.000 3.067 67 I HA 0.622 4.841 4.170 0.082 0.000 0.312 67 I C -1.862 174.046 176.117 -0.349 0.000 1.073 67 I CA -0.976 60.034 61.300 -0.483 0.000 1.016 67 I CB 2.115 39.596 38.000 -0.866 0.000 1.227 67 I HN 0.636 nan 8.210 nan 0.000 0.456 68 L N 2.314 123.343 121.223 -0.325 0.000 2.317 68 L HA 0.887 5.276 4.340 0.082 0.000 0.281 68 L C -0.038 176.709 176.870 -0.204 0.000 1.024 68 L CA -0.056 54.642 54.840 -0.238 0.000 0.810 68 L CB 1.478 43.413 42.059 -0.205 0.000 1.240 68 L HN 0.936 nan 8.230 nan 0.000 0.427 69 G N 2.502 111.214 108.800 -0.146 0.000 2.644 69 G HA2 0.414 4.424 3.960 0.082 0.000 0.307 69 G HA3 0.414 4.424 3.960 0.082 0.000 0.307 69 G C -1.464 173.415 174.900 -0.034 0.000 1.250 69 G CA -0.657 44.382 45.100 -0.101 0.000 0.996 69 G HN 0.565 nan 8.290 nan 0.000 0.489 70 N N -0.659 118.050 118.700 0.015 0.000 2.352 70 N HA 0.257 5.047 4.740 0.082 0.000 0.291 70 N C 0.721 176.333 175.510 0.170 0.000 1.040 70 N CA -0.397 52.725 53.050 0.119 0.000 0.864 70 N CB 2.351 40.929 38.487 0.151 0.000 1.440 70 N HN 0.348 nan 8.380 nan 0.000 0.483 71 T N 0.998 115.663 114.554 0.186 0.000 2.708 71 T HA -0.171 4.228 4.350 0.082 0.000 0.266 71 T C 1.607 176.429 174.700 0.202 0.000 1.037 71 T CA 1.307 63.508 62.100 0.169 0.000 1.146 71 T CB -0.300 68.673 68.868 0.175 0.000 0.865 71 T HN 0.599 nan 8.240 nan 0.000 0.435 72 Y N 1.753 122.143 120.300 0.149 0.000 2.114 72 Y HA -0.219 4.380 4.550 0.081 0.000 0.284 72 Y C 2.535 178.464 175.900 0.049 0.000 1.143 72 Y CA 1.555 59.691 58.100 0.059 0.000 1.135 72 Y CB -0.584 37.821 38.460 -0.092 0.000 0.980 72 Y HN 0.424 nan 8.280 nan 0.000 0.499 73 H N -0.289 118.788 119.070 0.011 0.000 2.357 73 H HA -0.115 4.491 4.556 0.084 0.000 0.301 73 H C 2.317 177.587 175.328 -0.096 0.000 1.082 73 H CA 1.739 57.730 56.048 -0.095 0.000 1.342 73 H CB -0.292 29.512 29.762 0.070 0.000 1.389 73 H HN 0.374 nan 8.280 nan 0.000 0.511 74 L N 1.110 122.395 121.223 0.102 0.000 2.156 74 L HA -0.133 4.256 4.340 0.082 0.000 0.208 74 L C 2.902 179.760 176.870 -0.020 0.000 1.095 74 L CA 0.644 55.506 54.840 0.036 0.000 0.770 74 L CB -0.356 41.724 42.059 0.035 0.000 0.914 74 L HN 0.310 nan 8.230 nan 0.000 0.439 75 M N -1.088 118.495 119.600 -0.028 0.000 2.213 75 M HA -0.173 4.356 4.480 0.082 0.000 0.263 75 M C 1.960 178.214 176.300 -0.076 0.000 1.062 75 M CA 1.878 57.152 55.300 -0.043 0.000 1.105 75 M CB -0.477 32.120 32.600 -0.005 0.000 1.385 75 M HN 0.163 nan 8.290 nan 0.000 0.417 76 L N 0.532 121.679 121.223 -0.126 0.000 2.068 76 L HA 0.096 4.485 4.340 0.082 0.000 0.204 76 L C 1.540 178.367 176.870 -0.070 0.000 1.076 76 L CA 1.037 55.802 54.840 -0.124 0.000 0.753 76 L CB -0.466 41.460 42.059 -0.221 0.000 0.910 76 L HN 0.519 nan 8.230 nan 0.000 0.439 77 R N 0.223 120.696 120.500 -0.045 0.000 2.515 77 R HA 0.381 4.770 4.340 0.082 0.000 0.278 77 R C -2.581 173.733 176.300 0.023 0.000 1.107 77 R CA -1.140 54.955 56.100 -0.007 0.000 0.945 77 R CB -0.340 29.967 30.300 0.012 0.000 1.219 77 R HN -0.115 nan 8.270 nan 0.000 0.434 78 P HA 0.229 nan 4.420 nan 0.000 0.255 78 P C 0.358 177.619 177.300 -0.064 0.000 1.248 78 P CA 0.811 63.904 63.100 -0.011 0.000 0.807 78 P CB 0.620 32.321 31.700 0.002 0.000 1.150 79 G N -0.169 108.585 108.800 -0.077 0.000 2.885 79 G HA2 0.096 4.105 3.960 0.082 0.000 0.685 79 G HA3 0.096 4.105 3.960 0.082 0.000 0.685 79 G C 0.574 175.407 174.900 -0.111 0.000 1.216 79 G CA -0.419 44.630 45.100 -0.086 0.000 0.790 79 G HN 0.155 nan 8.290 nan 0.000 0.631 80 A N 1.276 124.043 122.820 -0.088 0.000 1.872 80 A HA 0.193 4.562 4.320 0.082 0.000 0.214 80 A C 2.075 179.594 177.584 -0.108 0.000 1.187 80 A CA 2.321 54.302 52.037 -0.093 0.000 0.614 80 A CB -0.382 18.583 19.000 -0.058 0.000 0.826 80 A HN 0.875 nan 8.150 nan 0.000 0.442 81 E N -0.334 119.813 120.200 -0.088 0.000 2.085 81 E HA -0.208 4.191 4.350 0.082 0.000 0.194 81 E C 2.144 178.680 176.600 -0.106 0.000 0.994 81 E CA 1.574 57.925 56.400 -0.083 0.000 0.801 81 E CB -0.266 29.396 29.700 -0.063 0.000 0.743 81 E HN 0.630 nan 8.360 nan 0.000 0.453 82 R N 0.468 120.895 120.500 -0.121 0.000 2.083 82 R HA -0.126 4.263 4.340 0.082 0.000 0.237 82 R C 2.203 178.366 176.300 -0.228 0.000 1.137 82 R CA 1.516 57.528 56.100 -0.147 0.000 0.951 82 R CB -0.343 29.871 30.300 -0.143 0.000 0.851 82 R HN 0.192 nan 8.270 nan 0.000 0.434 83 I N 0.765 121.152 120.570 -0.306 0.000 2.226 83 I HA -0.231 3.988 4.170 0.082 0.000 0.245 83 I C 2.559 178.532 176.117 -0.240 0.000 1.100 83 I CA 1.177 62.221 61.300 -0.427 0.000 1.374 83 I CB -0.414 37.325 38.000 -0.435 0.000 1.057 83 I HN 0.357 nan 8.210 nan 0.000 0.413 84 A N 0.863 123.582 122.820 -0.169 0.000 1.908 84 A HA -0.237 4.133 4.320 0.082 0.000 0.218 84 A C 2.303 179.831 177.584 -0.093 0.000 1.181 84 A CA 1.625 53.588 52.037 -0.124 0.000 0.627 84 A CB -0.470 18.458 19.000 -0.120 0.000 0.818 84 A HN 0.319 nan 8.150 nan 0.000 0.445 85 K N -0.496 119.848 120.400 -0.092 0.000 2.152 85 K HA -0.049 4.321 4.320 0.082 0.000 0.206 85 K C 1.310 177.881 176.600 -0.048 0.000 1.048 85 K CA 1.219 57.469 56.287 -0.062 0.000 0.933 85 K CB -0.333 32.132 32.500 -0.058 0.000 0.721 85 K HN 0.509 nan 8.250 nan 0.000 0.447 86 L N -0.415 120.764 121.223 -0.072 0.000 2.612 86 L HA 0.105 4.494 4.340 0.082 0.000 0.230 86 L C 1.056 177.937 176.870 0.017 0.000 1.140 86 L CA 0.303 55.131 54.840 -0.020 0.000 0.896 86 L CB 0.181 42.223 42.059 -0.027 0.000 1.065 86 L HN 0.416 nan 8.230 nan 0.000 0.447 87 G N -0.766 108.029 108.800 -0.009 0.000 2.184 87 G HA2 0.016 4.025 3.960 0.082 0.000 0.206 87 G HA3 0.016 4.025 3.960 0.082 0.000 0.206 87 G C 0.507 175.425 174.900 0.030 0.000 0.995 87 G CA -0.290 44.821 45.100 0.018 0.000 0.651 87 G HN 0.800 nan 8.290 nan 0.000 0.511 88 G N -1.654 107.147 108.800 0.001 0.000 2.663 88 G HA2 0.196 4.205 3.960 0.082 0.000 0.686 88 G HA3 0.196 4.205 3.960 0.082 0.000 0.686 88 G C 0.438 175.390 174.900 0.086 0.000 1.288 88 G CA -0.020 45.092 45.100 0.020 0.000 0.836 88 G HN 1.500 nan 8.290 nan 0.000 0.584 89 L N 0.224 121.491 121.223 0.074 0.000 2.083 89 L HA 0.056 4.445 4.340 0.082 0.000 0.209 89 L C 2.620 179.572 176.870 0.138 0.000 1.083 89 L CA 2.794 57.692 54.840 0.096 0.000 0.752 89 L CB -0.680 41.368 42.059 -0.018 0.000 0.899 89 L HN 0.739 nan 8.230 nan 0.000 0.433 90 H N -1.723 117.433 119.070 0.143 0.000 2.321 90 H HA -0.136 4.468 4.556 0.080 0.000 0.300 90 H C 2.391 177.805 175.328 0.144 0.000 1.087 90 H CA 1.697 57.842 56.048 0.162 0.000 1.319 90 H CB -0.280 29.551 29.762 0.116 0.000 1.379 90 H HN 0.429 nan 8.280 nan 0.000 0.501 91 S N 0.317 116.169 115.700 0.254 0.000 2.356 91 S HA -0.165 4.354 4.470 0.082 0.000 0.223 91 S C 2.062 176.782 174.600 0.199 0.000 1.032 91 S CA 0.881 59.189 58.200 0.180 0.000 1.005 91 S CB -0.501 62.783 63.200 0.141 0.000 0.867 91 S HN 0.273 nan 8.310 nan 0.000 0.449 92 F N 3.116 123.098 119.950 0.053 0.000 2.043 92 F HA -0.147 4.434 4.527 0.090 0.000 0.297 92 F C 2.161 177.984 175.800 0.038 0.000 1.121 92 F CA 2.364 60.383 58.000 0.033 0.000 1.199 92 F CB -0.525 38.484 39.000 0.016 0.000 0.968 92 F HN 0.403 nan 8.300 nan 0.000 0.478 93 M N -1.720 117.907 119.600 0.045 0.000 2.428 93 M HA 0.428 4.958 4.480 0.082 0.000 0.239 93 M C 1.250 177.570 176.300 0.034 0.000 1.121 93 M CA 0.913 56.171 55.300 -0.071 0.000 1.019 93 M CB 0.262 32.852 32.600 -0.017 0.000 1.485 93 M HN 0.228 nan 8.290 nan 0.000 0.484 94 G N 1.353 110.213 108.800 0.099 0.000 2.149 94 G HA2 -0.237 3.772 3.960 0.082 0.000 0.235 94 G HA3 -0.237 3.772 3.960 0.082 0.000 0.235 94 G C -0.758 174.263 174.900 0.201 0.000 1.018 94 G CA 0.087 45.255 45.100 0.114 0.000 0.728 94 G HN 0.751 nan 8.290 nan 0.000 0.508 95 W N 1.880 123.205 121.300 0.042 0.000 2.361 95 W HA 0.510 5.209 4.660 0.065 0.000 0.314 95 W C 0.160 176.782 176.519 0.171 0.000 1.041 95 W CA -0.083 57.299 57.345 0.062 0.000 1.241 95 W CB 1.249 30.716 29.460 0.012 0.000 1.279 95 W HN 0.271 nan 8.180 nan 0.000 0.436 96 D N 3.603 123.849 120.400 -0.256 0.000 2.349 96 D HA 0.076 4.765 4.640 0.082 0.000 0.214 96 D C 0.411 176.560 176.300 -0.251 0.000 1.063 96 D CA 0.124 54.037 54.000 -0.146 0.000 0.847 96 D CB 0.326 41.032 40.800 -0.157 0.000 0.933 96 D HN 0.205 nan 8.370 nan 0.000 0.513 97 R N 0.207 120.362 120.500 -0.574 0.000 2.541 97 R HA 0.481 4.870 4.340 0.082 0.000 0.254 97 R C -2.417 174.041 176.300 0.263 0.000 1.130 97 R CA -1.993 53.934 56.100 -0.288 0.000 1.152 97 R CB 0.183 30.136 30.300 -0.580 0.000 1.222 97 R HN -0.038 nan 8.270 nan 0.000 0.579 98 P HA -0.010 nan 4.420 nan 0.000 0.266 98 P C -0.806 176.770 177.300 0.460 0.000 1.193 98 P CA 0.782 64.096 63.100 0.357 0.000 0.770 98 P CB 0.411 32.226 31.700 0.191 0.000 0.836 99 I N 2.602 123.354 120.570 0.305 0.000 2.498 99 I HA 0.358 4.577 4.170 0.082 0.000 0.290 99 I C -0.134 175.975 176.117 -0.014 0.000 1.032 99 I CA -0.936 60.398 61.300 0.056 0.000 1.073 99 I CB 1.776 39.707 38.000 -0.114 0.000 1.251 99 I HN 0.177 nan 8.210 nan 0.000 0.426 100 L N 6.395 127.552 121.223 -0.110 0.000 2.307 100 L HA 0.590 4.979 4.340 0.082 0.000 0.282 100 L C -0.141 176.662 176.870 -0.112 0.000 1.051 100 L CA -0.027 54.717 54.840 -0.161 0.000 0.804 100 L CB 1.418 43.300 42.059 -0.295 0.000 1.197 100 L HN 0.705 nan 8.230 nan 0.000 0.431 101 T N -0.027 114.490 114.554 -0.060 0.000 2.807 101 T HA 0.348 4.747 4.350 0.082 0.000 0.279 101 T C -0.403 174.316 174.700 0.033 0.000 0.993 101 T CA -0.886 61.208 62.100 -0.010 0.000 0.970 101 T CB 1.573 70.456 68.868 0.025 0.000 0.950 101 T HN 0.501 nan 8.240 nan 0.000 0.441 102 D N 1.129 121.566 120.400 0.061 0.000 2.360 102 D HA 0.203 4.892 4.640 0.082 0.000 0.242 102 D C 1.295 177.685 176.300 0.149 0.000 1.184 102 D CA -0.382 53.681 54.000 0.105 0.000 0.930 102 D CB 1.277 42.139 40.800 0.104 0.000 1.161 102 D HN 0.606 nan 8.370 nan 0.000 0.447 103 S N 0.362 116.174 115.700 0.186 0.000 2.548 103 S HA 0.287 4.806 4.470 0.082 0.000 0.215 103 S C 1.477 176.305 174.600 0.380 0.000 0.976 103 S CA 0.393 58.755 58.200 0.271 0.000 0.908 103 S CB 0.425 63.821 63.200 0.326 0.000 0.781 103 S HN 0.857 nan 8.310 nan 0.000 0.519 104 G N 0.524 109.513 108.800 0.314 0.000 2.159 104 G HA2 -0.176 3.833 3.960 0.082 0.000 0.227 104 G HA3 -0.176 3.833 3.960 0.082 0.000 0.227 104 G C 0.880 175.919 174.900 0.232 0.000 0.986 104 G CA 0.035 45.324 45.100 0.314 0.000 0.651 104 G HN 0.891 nan 8.290 nan 0.000 0.523 105 G N -0.727 108.146 108.800 0.121 0.000 2.509 105 G HA2 0.266 4.275 3.960 0.082 0.000 0.218 105 G HA3 0.266 4.275 3.960 0.082 0.000 0.218 105 G C 0.678 175.565 174.900 -0.021 0.000 1.124 105 G CA 1.360 46.383 45.100 -0.129 0.000 0.776 105 G HN 0.748 nan 8.290 nan 0.000 0.547 118 S N -0.105 115.732 115.700 0.230 0.000 2.732 118 S HA 0.470 4.990 4.470 0.082 0.000 0.293 118 S C 0.527 175.327 174.600 0.333 0.000 1.159 118 S CA -0.752 57.572 58.200 0.206 0.000 0.847 118 S CB 1.819 65.111 63.200 0.153 0.000 1.169 118 S HN 0.577 nan 8.310 nan 0.000 0.501 119 E N 0.579 120.940 120.200 0.269 0.000 2.265 119 E HA -0.020 4.380 4.350 0.082 0.000 0.196 119 E C 2.001 178.917 176.600 0.526 0.000 0.996 119 E CA 1.967 58.590 56.400 0.372 0.000 0.832 119 E CB -0.575 29.253 29.700 0.213 0.000 0.756 119 E HN 0.773 nan 8.360 nan 0.000 0.491 120 E N -0.189 120.196 120.200 0.307 0.000 2.107 120 E HA 0.252 4.651 4.350 0.082 0.000 0.191 120 E C 1.236 177.855 176.600 0.032 0.000 0.982 120 E CA 1.253 57.748 56.400 0.159 0.000 0.809 120 E CB -0.344 29.407 29.700 0.085 0.000 0.756 120 E HN 0.442 nan 8.360 nan 0.000 0.459 121 G N -2.402 106.479 108.800 0.135 0.000 2.455 121 G HA2 0.367 4.376 3.960 0.082 0.000 0.223 121 G HA3 0.367 4.376 3.960 0.082 0.000 0.223 121 G C -1.458 173.581 174.900 0.232 0.000 1.226 121 G CA 0.022 45.124 45.100 0.004 0.000 0.948 121 G HN 0.736 nan 8.290 nan 0.000 0.478 122 V N 0.852 120.895 119.914 0.215 0.000 2.577 122 V HA 0.695 4.864 4.120 0.082 0.000 0.303 122 V C -0.255 176.020 176.094 0.302 0.000 1.042 122 V CA -0.496 61.985 62.300 0.303 0.000 0.872 122 V CB 1.581 33.639 31.823 0.392 0.000 0.998 122 V HN 0.890 nan 8.190 nan 0.000 0.423 123 T N 5.969 120.671 114.554 0.247 0.000 2.859 123 T HA 0.863 5.262 4.350 0.082 0.000 0.281 123 T C -0.617 174.246 174.700 0.272 0.000 1.005 123 T CA -0.235 61.954 62.100 0.149 0.000 1.025 123 T CB 1.127 70.025 68.868 0.050 0.000 0.977 123 T HN 0.644 nan 8.240 nan 0.000 0.458 135 L N 3.294 124.543 121.223 0.044 0.000 2.438 135 L HA 0.985 5.375 4.340 0.082 0.000 0.270 135 L C 0.259 176.859 176.870 -0.449 0.000 0.972 135 L CA -0.427 54.322 54.840 -0.152 0.000 0.831 135 L CB 2.118 44.193 42.059 0.027 0.000 1.273 135 L HN 1.462 nan 8.230 nan 0.000 0.405 136 S N 3.231 118.528 115.700 -0.672 0.000 2.667 136 S HA 0.754 5.273 4.470 0.082 0.000 0.292 136 S C -2.416 171.622 174.600 -0.938 0.000 1.126 136 S CA -1.377 56.370 58.200 -0.755 0.000 0.881 136 S CB 1.953 64.923 63.200 -0.384 0.000 1.132 136 S HN 0.366 nan 8.310 nan 0.000 0.492 137 P HA -0.123 nan 4.420 nan 0.000 0.216 137 P C 0.921 178.102 177.300 -0.199 0.000 1.157 137 P CA 1.549 64.476 63.100 -0.289 0.000 0.880 137 P CB -0.023 31.611 31.700 -0.109 0.000 0.791 138 E N -1.111 118.981 120.200 -0.180 0.000 2.077 138 E HA -0.186 4.213 4.350 0.082 0.000 0.193 138 E C 2.145 178.675 176.600 -0.116 0.000 0.989 138 E CA 1.017 57.356 56.400 -0.102 0.000 0.800 138 E CB -0.580 29.071 29.700 -0.082 0.000 0.746 138 E HN 0.022 nan 8.360 nan 0.000 0.452 139 R N 0.448 120.837 120.500 -0.184 0.000 2.075 139 R HA 0.019 4.408 4.340 0.082 0.000 0.232 139 R C 2.262 178.481 176.300 -0.136 0.000 1.126 139 R CA 1.650 57.658 56.100 -0.152 0.000 0.963 139 R CB -0.933 29.259 30.300 -0.180 0.000 0.858 139 R HN 0.131 nan 8.270 nan 0.000 0.435 140 S N -0.133 115.427 115.700 -0.233 0.000 2.353 140 S HA -0.086 4.433 4.470 0.082 0.000 0.222 140 S C 1.807 176.408 174.600 0.002 0.000 1.035 140 S CA 1.459 59.574 58.200 -0.143 0.000 1.025 140 S CB -0.264 62.789 63.200 -0.245 0.000 0.902 140 S HN 0.320 nan 8.310 nan 0.000 0.440 141 I N 1.855 122.436 120.570 0.019 0.000 2.286 141 I HA -0.095 4.124 4.170 0.082 0.000 0.248 141 I C 2.517 178.691 176.117 0.095 0.000 1.115 141 I CA 1.362 62.724 61.300 0.104 0.000 1.392 141 I CB -1.537 36.542 38.000 0.131 0.000 1.065 141 I HN 0.538 nan 8.210 nan 0.000 0.418 142 E N 1.135 121.361 120.200 0.043 0.000 2.072 142 E HA -0.196 4.203 4.350 0.082 0.000 0.191 142 E C 2.413 179.063 176.600 0.084 0.000 0.985 142 E CA 1.066 57.505 56.400 0.064 0.000 0.801 142 E CB 0.003 29.711 29.700 0.013 0.000 0.750 142 E HN 0.430 nan 8.360 nan 0.000 0.452 143 I N 1.010 121.602 120.570 0.037 0.000 2.226 143 I HA -0.303 3.916 4.170 0.082 0.000 0.245 143 I C 2.586 178.728 176.117 0.043 0.000 1.100 143 I CA 1.254 62.569 61.300 0.025 0.000 1.374 143 I CB -0.221 37.788 38.000 0.016 0.000 1.057 143 I HN 0.183 nan 8.210 nan 0.000 0.413 144 Q N -0.529 119.319 119.800 0.080 0.000 2.124 144 Q HA -0.275 4.114 4.340 0.082 0.000 0.202 144 Q C 2.127 178.187 176.000 0.101 0.000 0.977 144 Q CA 1.712 57.570 55.803 0.093 0.000 0.850 144 Q CB -0.325 28.489 28.738 0.127 0.000 0.901 144 Q HN 0.569 nan 8.270 nan 0.000 0.429 145 H N 0.954 120.043 119.070 0.032 0.000 2.321 145 H HA -0.096 4.510 4.556 0.083 0.000 0.300 145 H C 1.805 177.134 175.328 0.002 0.000 1.087 145 H CA 1.615 57.666 56.048 0.006 0.000 1.319 145 H CB -0.261 29.486 29.762 -0.026 0.000 1.379 145 H HN 0.116 nan 8.280 nan 0.000 0.501 146 L N -0.198 120.904 121.223 -0.201 0.000 2.042 146 L HA -0.181 4.209 4.340 0.082 0.000 0.210 146 L C 2.516 179.279 176.870 -0.179 0.000 1.076 146 L CA 1.157 55.856 54.840 -0.235 0.000 0.749 146 L CB -0.390 41.611 42.059 -0.096 0.000 0.893 146 L HN 0.326 nan 8.230 nan 0.000 0.432 147 L N -0.479 120.685 121.223 -0.099 0.000 2.275 147 L HA -0.019 4.370 4.340 0.082 0.000 0.215 147 L C 1.466 178.322 176.870 -0.024 0.000 1.119 147 L CA 0.749 55.552 54.840 -0.061 0.000 0.790 147 L CB -0.731 41.312 42.059 -0.026 0.000 0.919 147 L HN 0.533 nan 8.230 nan 0.000 0.443 148 G N 0.417 109.196 108.800 -0.035 0.000 2.171 148 G HA2 -0.284 3.725 3.960 0.082 0.000 0.238 148 G HA3 -0.284 3.725 3.960 0.082 0.000 0.238 148 G C 0.335 175.338 174.900 0.172 0.000 1.039 148 G CA 0.377 45.508 45.100 0.052 0.000 0.759 148 G HN 0.343 nan 8.290 nan 0.000 0.501 149 S N -0.544 115.228 115.700 0.120 0.000 2.558 149 S HA 0.267 4.786 4.470 0.082 0.000 0.288 149 S C 1.431 176.140 174.600 0.181 0.000 1.318 149 S CA 0.735 59.015 58.200 0.133 0.000 1.056 149 S CB 0.463 63.715 63.200 0.086 0.000 0.853 149 S HN 0.306 nan 8.310 nan 0.000 0.505 150 D N 2.925 123.438 120.400 0.189 0.000 2.201 150 D HA 0.123 4.813 4.640 0.082 0.000 0.209 150 D C 0.240 176.606 176.300 0.109 0.000 0.961 150 D CA 0.960 55.060 54.000 0.166 0.000 0.861 150 D CB 0.182 41.088 40.800 0.176 0.000 0.997 150 D HN 0.511 nan 8.370 nan 0.000 0.486 151 I N 2.227 122.799 120.570 0.002 0.000 2.382 151 I HA 0.155 4.374 4.170 0.082 0.000 0.285 151 I C -0.504 175.533 176.117 -0.132 0.000 1.007 151 I CA -0.597 60.603 61.300 -0.167 0.000 1.142 151 I CB 2.355 40.077 38.000 -0.463 0.000 1.289 151 I HN -0.350 nan 8.210 nan 0.000 0.453 152 V N 6.840 126.729 119.914 -0.041 0.000 2.465 152 V HA 0.361 4.530 4.120 0.082 0.000 0.279 152 V C 0.442 176.531 176.094 -0.009 0.000 1.045 152 V CA -0.443 61.886 62.300 0.048 0.000 0.938 152 V CB 1.426 33.386 31.823 0.229 0.000 0.986 152 V HN 0.576 nan 8.190 nan 0.000 0.467 153 M N 3.574 123.198 119.600 0.039 0.000 2.318 153 M HA 0.524 5.053 4.480 0.082 0.000 0.347 153 M C 0.352 176.710 176.300 0.096 0.000 1.175 153 M CA -0.550 54.784 55.300 0.057 0.000 1.075 153 M CB 1.297 33.947 32.600 0.083 0.000 1.614 153 M HN 0.722 nan 8.290 nan 0.000 0.456 154 A N 2.805 125.660 122.820 0.058 0.000 2.520 154 A HA 0.159 4.529 4.320 0.082 0.000 0.235 154 A C -0.431 177.267 177.584 0.190 0.000 1.065 154 A CA -0.125 51.983 52.037 0.118 0.000 0.764 154 A CB -0.170 18.840 19.000 0.017 0.000 1.002 154 A HN 0.749 nan 8.150 nan 0.000 0.502 155 F N 3.078 123.086 119.950 0.097 0.000 2.471 155 F HA 0.329 4.904 4.527 0.081 0.000 0.365 155 F C 0.355 176.318 175.800 0.272 0.000 1.095 155 F CA -0.122 57.947 58.000 0.114 0.000 1.174 155 F CB 0.410 39.404 39.000 -0.009 0.000 1.105 155 F HN 0.752 nan 8.300 nan 0.000 0.535 156 D N 3.939 124.203 120.400 -0.226 0.000 2.497 156 D HA 0.204 4.893 4.640 0.082 0.000 0.243 156 D C -1.371 174.801 176.300 -0.213 0.000 1.039 156 D CA -0.825 53.126 54.000 -0.081 0.000 1.052 156 D CB 1.318 42.084 40.800 -0.057 0.000 1.344 156 D HN 0.574 nan 8.370 nan 0.000 0.553 157 E N -0.172 119.957 120.200 -0.118 0.000 2.063 157 E HA 0.312 4.711 4.350 0.082 0.000 0.265 157 E C -1.042 175.499 176.600 -0.098 0.000 0.919 157 E CA -0.724 55.598 56.400 -0.130 0.000 0.756 157 E CB 0.625 30.165 29.700 -0.266 0.000 1.120 157 E HN 0.468 nan 8.360 nan 0.000 0.414 158 C N 5.110 124.371 119.300 -0.065 0.000 2.322 158 C HA 0.262 4.771 4.460 0.082 0.000 0.343 158 C C 0.443 175.418 174.990 -0.025 0.000 1.190 158 C CA -0.344 58.664 59.018 -0.017 0.000 1.704 158 C CB -1.059 26.718 27.740 0.062 0.000 2.293 158 C HN 0.658 nan 8.230 nan 0.000 0.523 159 T N 9.641 124.189 114.554 -0.010 0.000 2.765 159 T HA 0.155 4.554 4.350 0.082 0.000 0.284 159 T C -1.976 172.744 174.700 0.034 0.000 0.946 159 T CA -0.013 62.091 62.100 0.006 0.000 1.185 159 T CB 0.079 68.964 68.868 0.028 0.000 0.887 159 T HN 0.656 nan 8.240 nan 0.000 0.532 160 P HA 0.109 nan 4.420 nan 0.000 0.268 160 P C -1.080 176.278 177.300 0.097 0.000 1.208 160 P CA -0.355 62.770 63.100 0.041 0.000 0.777 160 P CB 0.339 32.040 31.700 0.001 0.000 0.875 161 Y N 2.596 122.890 120.300 -0.010 0.000 2.341 161 Y HA 0.509 5.108 4.550 0.082 0.000 0.338 161 Y C -2.302 173.595 175.900 -0.006 0.000 0.965 161 Y CA -2.407 55.687 58.100 -0.010 0.000 1.108 161 Y CB 0.727 39.175 38.460 -0.020 0.000 1.180 161 Y HN 0.344 nan 8.280 nan 0.000 0.458 162 P HA 0.656 nan 4.420 nan 0.000 0.279 162 P C -1.707 175.454 177.300 -0.233 0.000 1.252 162 P CA -0.660 61.953 63.100 -0.811 0.000 0.811 162 P CB 1.530 32.772 31.700 -0.764 0.000 1.035 163 A N 0.602 123.374 122.820 -0.081 0.000 2.371 163 A HA 0.639 5.008 4.320 0.082 0.000 0.311 163 A C 0.209 177.892 177.584 0.166 0.000 1.068 163 A CA -0.518 51.555 52.037 0.060 0.000 0.744 163 A CB 0.746 19.823 19.000 0.129 0.000 1.239 163 A HN 0.651 nan 8.150 nan 0.000 0.435 164 T N 0.424 115.028 114.554 0.083 0.000 2.813 164 T HA 0.370 4.769 4.350 0.082 0.000 0.297 164 T C -1.794 172.905 174.700 -0.002 0.000 1.036 164 T CA -0.980 61.156 62.100 0.060 0.000 1.044 164 T CB 0.443 69.303 68.868 -0.013 0.000 0.993 164 T HN 0.280 nan 8.240 nan 0.000 0.535 165 P HA -0.111 nan 4.420 nan 0.000 0.216 165 P C 1.929 179.069 177.300 -0.266 0.000 1.150 165 P CA 1.115 63.846 63.100 -0.615 0.000 0.837 165 P CB -0.105 31.160 31.700 -0.725 0.000 0.786 166 S N -0.801 114.801 115.700 -0.163 0.000 2.356 166 S HA -0.218 4.301 4.470 0.082 0.000 0.223 166 S C 2.315 176.874 174.600 -0.068 0.000 1.032 166 S CA 1.842 59.980 58.200 -0.104 0.000 1.005 166 S CB -0.772 62.381 63.200 -0.080 0.000 0.867 166 S HN 0.022 nan 8.310 nan 0.000 0.449 167 R N 0.790 121.263 120.500 -0.044 0.000 2.075 167 R HA 0.322 4.711 4.340 0.082 0.000 0.232 167 R C 2.600 178.898 176.300 -0.003 0.000 1.126 167 R CA 1.837 57.923 56.100 -0.023 0.000 0.963 167 R CB -1.779 28.516 30.300 -0.009 0.000 0.858 167 R HN 0.679 nan 8.270 nan 0.000 0.435 168 A N 0.830 123.674 122.820 0.041 0.000 1.933 168 A HA 0.229 4.598 4.320 0.082 0.000 0.218 168 A C 2.806 180.411 177.584 0.035 0.000 1.175 168 A CA 1.904 53.999 52.037 0.096 0.000 0.628 168 A CB -0.798 18.378 19.000 0.292 0.000 0.814 168 A HN 0.908 nan 8.150 nan 0.000 0.444 169 A N -0.536 122.276 122.820 -0.013 0.000 1.873 169 A HA -0.057 4.312 4.320 0.082 0.000 0.215 169 A C 2.444 179.999 177.584 -0.049 0.000 1.186 169 A CA 2.018 54.035 52.037 -0.035 0.000 0.616 169 A CB -0.941 18.020 19.000 -0.066 0.000 0.823 169 A HN 0.450 nan 8.150 nan 0.000 0.442 170 S N -0.354 115.312 115.700 -0.057 0.000 2.383 170 S HA -0.158 4.361 4.470 0.082 0.000 0.229 170 S C 2.316 176.852 174.600 -0.107 0.000 1.030 170 S CA 1.587 59.742 58.200 -0.074 0.000 1.002 170 S CB -0.356 62.804 63.200 -0.067 0.000 0.829 170 S HN 0.700 nan 8.310 nan 0.000 0.467 171 S N 0.961 116.604 115.700 -0.095 0.000 2.387 171 S HA 0.010 4.529 4.470 0.082 0.000 0.226 171 S C 1.950 176.462 174.600 -0.147 0.000 1.026 171 S CA 0.864 58.982 58.200 -0.137 0.000 0.972 171 S CB -0.344 62.801 63.200 -0.090 0.000 0.814 171 S HN 0.420 nan 8.310 nan 0.000 0.477 172 M N 1.351 120.903 119.600 -0.080 0.000 2.117 172 M HA -0.093 4.436 4.480 0.082 0.000 0.262 172 M C 1.721 177.971 176.300 -0.085 0.000 1.065 172 M CA 1.866 57.129 55.300 -0.061 0.000 1.114 172 M CB -0.970 31.624 32.600 -0.010 0.000 1.361 172 M HN 0.394 nan 8.290 nan 0.000 0.408 173 E N -0.306 119.841 120.200 -0.089 0.000 2.077 173 E HA -0.232 4.168 4.350 0.082 0.000 0.193 173 E C 2.129 178.643 176.600 -0.142 0.000 0.989 173 E CA 1.459 57.808 56.400 -0.084 0.000 0.800 173 E CB -0.259 29.399 29.700 -0.069 0.000 0.746 173 E HN 0.519 nan 8.360 nan 0.000 0.452 174 R N 0.650 121.002 120.500 -0.247 0.000 2.081 174 R HA -0.119 4.270 4.340 0.082 0.000 0.235 174 R C 2.236 178.204 176.300 -0.553 0.000 1.131 174 R CA 1.744 57.560 56.100 -0.472 0.000 0.960 174 R CB -0.106 29.803 30.300 -0.652 0.000 0.856 174 R HN -0.008 nan 8.270 nan 0.000 0.436 175 S N 0.430 115.907 115.700 -0.371 0.000 2.383 175 S HA -0.123 4.396 4.470 0.082 0.000 0.229 175 S C 1.835 176.438 174.600 0.005 0.000 1.030 175 S CA 1.374 59.475 58.200 -0.165 0.000 1.002 175 S CB -0.080 63.061 63.200 -0.098 0.000 0.829 175 S HN 0.305 nan 8.310 nan 0.000 0.467 176 M N 1.082 120.674 119.600 -0.014 0.000 2.229 176 M HA 0.048 4.577 4.480 0.082 0.000 0.264 176 M C 2.023 178.394 176.300 0.119 0.000 1.063 176 M CA 1.191 56.531 55.300 0.066 0.000 1.114 176 M CB -1.156 31.472 32.600 0.048 0.000 1.387 176 M HN 0.254 nan 8.290 nan 0.000 0.420 177 R N -1.068 119.480 120.500 0.079 0.000 2.081 177 R HA -0.183 4.206 4.340 0.082 0.000 0.235 177 R C 2.081 178.581 176.300 0.334 0.000 1.131 177 R CA 1.360 57.553 56.100 0.156 0.000 0.960 177 R CB -0.255 30.103 30.300 0.097 0.000 0.856 177 R HN 0.374 nan 8.270 nan 0.000 0.436 178 W N 0.468 121.832 121.300 0.106 0.000 2.425 178 W HA 0.055 4.764 4.660 0.082 0.000 0.277 178 W C 2.325 178.942 176.519 0.163 0.000 1.231 178 W CA 0.480 57.913 57.345 0.148 0.000 1.248 178 W CB -0.806 28.748 29.460 0.157 0.000 1.117 178 W HN 0.174 nan 8.180 nan 0.000 0.568 179 A N 0.378 123.416 122.820 0.363 0.000 1.902 179 A HA -0.223 4.146 4.320 0.082 0.000 0.217 179 A C 2.045 179.855 177.584 0.378 0.000 1.181 179 A CA 2.302 54.538 52.037 0.333 0.000 0.623 179 A CB -0.657 18.503 19.000 0.266 0.000 0.818 179 A HN 0.106 nan 8.150 nan 0.000 0.443 180 K N 0.167 120.737 120.400 0.283 0.000 2.057 180 K HA -0.060 4.310 4.320 0.082 0.000 0.206 180 K C 2.052 178.755 176.600 0.172 0.000 1.050 180 K CA 1.624 58.029 56.287 0.196 0.000 0.935 180 K CB -0.363 32.227 32.500 0.151 0.000 0.715 180 K HN 0.447 nan 8.250 nan 0.000 0.439 181 R N -0.145 120.476 120.500 0.203 0.000 2.096 181 R HA -0.025 4.364 4.340 0.082 0.000 0.235 181 R C 2.391 178.781 176.300 0.149 0.000 1.127 181 R CA 1.559 57.755 56.100 0.158 0.000 0.968 181 R CB -0.278 30.120 30.300 0.165 0.000 0.861 181 R HN 0.155 nan 8.270 nan 0.000 0.440 182 S N 0.483 116.306 115.700 0.204 0.000 2.348 182 S HA -0.181 4.338 4.470 0.082 0.000 0.221 182 S C 1.804 176.529 174.600 0.207 0.000 1.033 182 S CA 1.463 59.790 58.200 0.212 0.000 1.010 182 S CB -0.225 63.136 63.200 0.267 0.000 0.891 182 S HN 0.233 nan 8.310 nan 0.000 0.442 183 R N 1.773 122.387 120.500 0.191 0.000 2.096 183 R HA -0.137 4.252 4.340 0.082 0.000 0.240 183 R C 1.523 177.880 176.300 0.095 0.000 1.139 183 R CA 2.079 58.214 56.100 0.058 0.000 0.952 183 R CB -0.743 29.489 30.300 -0.114 0.000 0.854 183 R HN 0.238 nan 8.270 nan 0.000 0.436 184 D N -0.143 120.308 120.400 0.085 0.000 2.117 184 D HA -0.091 4.598 4.640 0.082 0.000 0.197 184 D C 1.740 178.089 176.300 0.081 0.000 0.987 184 D CA 1.687 55.729 54.000 0.070 0.000 0.829 184 D CB -0.441 40.392 40.800 0.056 0.000 0.961 184 D HN 0.419 nan 8.370 nan 0.000 0.460 185 A N 0.335 123.213 122.820 0.096 0.000 1.902 185 A HA -0.165 4.204 4.320 0.082 0.000 0.217 185 A C 2.120 179.762 177.584 0.097 0.000 1.181 185 A CA 1.008 53.088 52.037 0.072 0.000 0.623 185 A CB -1.008 18.030 19.000 0.064 0.000 0.818 185 A HN 0.257 nan 8.150 nan 0.000 0.443 186 F N 1.276 121.227 119.950 0.002 0.000 2.102 186 F HA -0.189 4.386 4.527 0.081 0.000 0.298 186 F C 1.644 177.427 175.800 -0.028 0.000 1.105 186 F CA 2.163 60.161 58.000 -0.004 0.000 1.239 186 F CB -0.172 38.845 39.000 0.029 0.000 0.991 186 F HN 0.227 nan 8.300 nan 0.000 0.474 187 D N -0.480 120.059 120.400 0.230 0.000 2.263 187 D HA -0.109 4.580 4.640 0.082 0.000 0.208 187 D C 2.193 178.483 176.300 -0.017 0.000 0.971 187 D CA 1.213 55.276 54.000 0.104 0.000 0.867 187 D CB -0.224 40.638 40.800 0.104 0.000 0.929 187 D HN 0.232 nan 8.370 nan 0.000 0.492 188 S N -0.387 115.296 115.700 -0.029 0.000 2.593 188 S HA 0.042 4.561 4.470 0.082 0.000 0.217 188 S C 0.979 175.515 174.600 -0.107 0.000 0.966 188 S CA -0.208 57.961 58.200 -0.053 0.000 0.914 188 S CB 0.528 63.710 63.200 -0.031 0.000 0.776 188 S HN 0.116 nan 8.310 nan 0.000 0.523 189 R N 1.408 121.801 120.500 -0.178 0.000 2.287 189 R HA 0.385 4.774 4.340 0.082 0.000 0.316 189 R C 1.174 177.308 176.300 -0.277 0.000 1.050 189 R CA -0.034 55.907 56.100 -0.265 0.000 0.983 189 R CB 0.077 30.145 30.300 -0.387 0.000 1.140 189 R HN 0.142 nan 8.270 nan 0.000 0.528 190 K N 2.365 122.654 120.400 -0.185 0.000 2.032 190 K HA -0.208 4.161 4.320 0.082 0.000 0.209 190 K C 1.989 178.503 176.600 -0.144 0.000 1.048 190 K CA 2.180 58.385 56.287 -0.138 0.000 0.927 190 K CB -1.142 31.307 32.500 -0.084 0.000 0.712 190 K HN 0.760 nan 8.250 nan 0.000 0.441 191 E N 0.620 120.738 120.200 -0.137 0.000 2.110 191 E HA -0.265 4.134 4.350 0.082 0.000 0.193 191 E C 2.083 178.617 176.600 -0.110 0.000 0.988 191 E CA 1.676 58.029 56.400 -0.078 0.000 0.804 191 E CB -0.596 29.102 29.700 -0.004 0.000 0.745 191 E HN 0.835 nan 8.360 nan 0.000 0.458 192 Q N -0.893 118.760 119.800 -0.245 0.000 2.016 192 Q HA 0.018 4.407 4.340 0.082 0.000 0.200 192 Q C 2.547 178.205 176.000 -0.570 0.000 0.978 192 Q CA 1.374 56.954 55.803 -0.372 0.000 0.833 192 Q CB -0.274 28.120 28.738 -0.574 0.000 0.895 192 Q HN 0.561 nan 8.270 nan 0.000 0.427 193 A N 0.547 122.997 122.820 -0.616 0.000 2.024 193 A HA -0.214 4.155 4.320 0.082 0.000 0.220 193 A C 1.621 179.167 177.584 -0.062 0.000 1.164 193 A CA 1.688 53.491 52.037 -0.390 0.000 0.643 193 A CB -0.359 18.526 19.000 -0.190 0.000 0.806 193 A HN 0.497 nan 8.150 nan 0.000 0.451 194 E N -1.071 119.086 120.200 -0.071 0.000 2.340 194 E HA 0.015 4.415 4.350 0.082 0.000 0.194 194 E C 0.859 177.484 176.600 0.042 0.000 0.996 194 E CA 0.411 56.815 56.400 0.005 0.000 0.869 194 E CB 0.113 29.806 29.700 -0.011 0.000 0.835 194 E HN 0.587 nan 8.360 nan 0.000 0.493 195 N N -0.548 118.173 118.700 0.035 0.000 2.239 195 N HA 0.147 4.937 4.740 0.082 0.000 0.208 195 N C -0.083 175.499 175.510 0.120 0.000 1.200 195 N CA 0.140 53.230 53.050 0.067 0.000 0.895 195 N CB 1.434 39.944 38.487 0.038 0.000 1.085 195 N HN -0.052 nan 8.380 nan 0.000 0.500 196 A N 0.547 123.463 122.820 0.160 0.000 2.312 196 A HA 0.890 5.259 4.320 0.082 0.000 0.310 196 A C -0.818 177.012 177.584 0.409 0.000 1.139 196 A CA -0.449 51.747 52.037 0.265 0.000 0.886 196 A CB 1.296 20.463 19.000 0.278 0.000 1.350 196 A HN 0.085 nan 8.150 nan 0.000 0.479 197 A N -0.393 122.608 122.820 0.302 0.000 2.356 197 A HA 0.744 5.113 4.320 0.082 0.000 0.323 197 A C -1.117 176.385 177.584 -0.137 0.000 1.119 197 A CA -0.476 51.596 52.037 0.057 0.000 0.790 197 A CB 1.106 20.035 19.000 -0.118 0.000 1.273 197 A HN 0.884 nan 8.150 nan 0.000 0.452 198 L N 1.823 122.814 121.223 -0.387 0.000 2.349 198 L HA 0.581 4.970 4.340 0.082 0.000 0.278 198 L C -1.707 175.224 176.870 0.102 0.000 0.996 198 L CA -0.449 54.155 54.840 -0.393 0.000 0.825 198 L CB 1.251 42.778 42.059 -0.887 0.000 1.243 198 L HN 0.661 nan 8.230 nan 0.000 0.412 199 F N 1.665 121.477 119.950 -0.231 0.000 2.443 199 F HA 0.585 5.162 4.527 0.083 0.000 0.335 199 F C 0.914 176.365 175.800 -0.581 0.000 1.104 199 F CA -1.220 56.582 58.000 -0.330 0.000 1.013 199 F CB 1.952 40.835 39.000 -0.196 0.000 1.136 199 F HN 0.357 nan 8.300 nan 0.000 0.470 200 G N 2.795 110.991 108.800 -1.005 0.000 2.425 200 G HA2 0.622 4.631 3.960 0.082 0.000 0.302 200 G HA3 0.622 4.631 3.960 0.082 0.000 0.302 200 G C -0.943 173.667 174.900 -0.484 0.000 1.159 200 G CA -0.549 43.756 45.100 -1.324 0.000 0.865 200 G HN 0.527 nan 8.290 nan 0.000 0.515 201 I N 0.837 121.226 120.570 -0.302 0.000 2.410 201 I HA 0.220 4.439 4.170 0.082 0.000 0.286 201 I C 0.207 176.269 176.117 -0.093 0.000 1.009 201 I CA -0.541 60.670 61.300 -0.147 0.000 1.111 201 I CB 1.986 39.920 38.000 -0.110 0.000 1.262 201 I HN 0.405 nan 8.210 nan 0.000 0.443 202 Q N 6.099 125.863 119.800 -0.060 0.000 2.304 202 Q HA 0.196 4.585 4.340 0.082 0.000 0.260 202 Q C -0.760 175.220 176.000 -0.033 0.000 0.965 202 Q CA -0.205 55.580 55.803 -0.031 0.000 0.898 202 Q CB 1.055 29.779 28.738 -0.023 0.000 1.196 202 Q HN 0.529 nan 8.270 nan 0.000 0.402 203 Q N 1.371 121.161 119.800 -0.016 0.000 2.823 203 Q HA 0.546 4.935 4.340 0.082 0.000 0.230 203 Q C 0.298 176.317 176.000 0.033 0.000 1.026 203 Q CA 0.075 55.876 55.803 -0.003 0.000 0.940 203 Q CB 1.435 30.162 28.738 -0.019 0.000 1.382 203 Q HN 0.968 nan 8.270 nan 0.000 0.502 204 G N -0.460 108.375 108.800 0.059 0.000 2.183 204 G HA2 -0.207 3.802 3.960 0.082 0.000 0.168 204 G HA3 -0.207 3.802 3.960 0.082 0.000 0.168 204 G C 0.380 175.382 174.900 0.170 0.000 1.008 204 G CA 0.943 46.117 45.100 0.124 0.000 0.677 204 G HN 0.764 nan 8.290 nan 0.000 0.498 205 S N -2.198 113.561 115.700 0.097 0.000 3.938 205 S HA -0.366 4.153 4.470 0.082 0.000 0.624 205 S C 1.813 176.366 174.600 -0.077 0.000 2.186 205 S CA 3.497 61.716 58.200 0.031 0.000 4.144 205 S CB -1.230 62.022 63.200 0.086 0.000 0.230 205 S HN 2.021 nan 8.310 nan 0.000 0.755 206 V N -0.370 119.324 119.914 -0.366 0.000 3.444 206 V HA 0.558 4.728 4.120 0.082 0.000 0.308 206 V C 0.199 176.166 176.094 -0.212 0.000 1.371 206 V CA 0.184 62.310 62.300 -0.291 0.000 1.141 206 V CB -0.543 31.097 31.823 -0.305 0.000 1.037 206 V HN 0.458 nan 8.190 nan 0.000 0.433 207 F N 1.335 121.391 119.950 0.176 0.000 2.405 207 F HA 0.499 5.076 4.527 0.082 0.000 0.355 207 F C 1.573 177.378 175.800 0.008 0.000 1.121 207 F CA -0.888 57.157 58.000 0.076 0.000 1.112 207 F CB 1.427 40.445 39.000 0.031 0.000 1.126 207 F HN 0.112 nan 8.300 nan 0.000 0.481 208 E N 2.801 122.931 120.200 -0.117 0.000 2.085 208 E HA -0.267 4.133 4.350 0.082 0.000 0.194 208 E C 1.911 178.418 176.600 -0.156 0.000 0.994 208 E CA 1.791 57.891 56.400 -0.500 0.000 0.801 208 E CB 0.079 29.185 29.700 -0.990 0.000 0.743 208 E HN 0.738 nan 8.360 nan 0.000 0.453 209 N N 1.059 119.714 118.700 -0.074 0.000 2.188 209 N HA -0.196 4.593 4.740 0.082 0.000 0.184 209 N C 2.021 177.536 175.510 0.007 0.000 1.018 209 N CA 1.279 54.305 53.050 -0.041 0.000 0.858 209 N CB -0.688 37.772 38.487 -0.045 0.000 0.989 209 N HN 0.304 nan 8.380 nan 0.000 0.426 210 L N -0.152 121.109 121.223 0.062 0.000 2.093 210 L HA 0.039 4.428 4.340 0.082 0.000 0.208 210 L C 2.799 179.715 176.870 0.077 0.000 1.085 210 L CA 0.729 55.614 54.840 0.075 0.000 0.755 210 L CB -0.335 41.805 42.059 0.135 0.000 0.904 210 L HN 0.073 nan 8.230 nan 0.000 0.435 211 R N 0.213 120.779 120.500 0.110 0.000 2.081 211 R HA -0.198 4.191 4.340 0.082 0.000 0.235 211 R C 2.222 178.560 176.300 0.062 0.000 1.131 211 R CA 1.431 57.597 56.100 0.111 0.000 0.960 211 R CB -0.450 29.983 30.300 0.222 0.000 0.856 211 R HN 0.337 nan 8.270 nan 0.000 0.436 212 Q N 1.145 120.969 119.800 0.040 0.000 2.079 212 Q HA -0.135 4.255 4.340 0.082 0.000 0.200 212 Q C 1.965 177.969 176.000 0.008 0.000 0.974 212 Q CA 1.682 57.492 55.803 0.012 0.000 0.840 212 Q CB -0.049 28.683 28.738 -0.010 0.000 0.898 212 Q HN 0.371 nan 8.270 nan 0.000 0.430 213 Q N -0.728 119.079 119.800 0.010 0.000 2.124 213 Q HA -0.152 4.237 4.340 0.082 0.000 0.202 213 Q C 2.204 178.215 176.000 0.019 0.000 0.977 213 Q CA 1.468 57.276 55.803 0.010 0.000 0.850 213 Q CB -0.264 28.477 28.738 0.006 0.000 0.901 213 Q HN 0.371 nan 8.270 nan 0.000 0.429 214 S N 0.285 115.999 115.700 0.023 0.000 2.355 214 S HA -0.153 4.366 4.470 0.082 0.000 0.222 214 S C 2.055 176.673 174.600 0.029 0.000 1.031 214 S CA 1.072 59.288 58.200 0.027 0.000 0.993 214 S CB -0.248 62.966 63.200 0.024 0.000 0.859 214 S HN 0.451 nan 8.310 nan 0.000 0.453 215 A N 1.628 124.453 122.820 0.008 0.000 1.892 215 A HA -0.172 4.198 4.320 0.082 0.000 0.218 215 A C 1.896 179.472 177.584 -0.014 0.000 1.188 215 A CA 2.151 54.173 52.037 -0.026 0.000 0.631 215 A CB -1.134 17.830 19.000 -0.060 0.000 0.822 215 A HN 0.583 nan 8.150 nan 0.000 0.447 216 D N -0.038 120.361 120.400 -0.001 0.000 2.104 216 D HA -0.088 4.601 4.640 0.082 0.000 0.194 216 D C 2.254 178.581 176.300 0.045 0.000 0.994 216 D CA 1.670 55.676 54.000 0.010 0.000 0.830 216 D CB -0.512 40.293 40.800 0.008 0.000 0.959 216 D HN 0.442 nan 8.370 nan 0.000 0.452 217 A N 0.439 123.295 122.820 0.060 0.000 1.902 217 A HA -0.137 4.232 4.320 0.082 0.000 0.217 217 A C 2.115 179.796 177.584 0.163 0.000 1.181 217 A CA 0.923 53.015 52.037 0.091 0.000 0.623 217 A CB -0.567 18.482 19.000 0.080 0.000 0.818 217 A HN 0.140 nan 8.150 nan 0.000 0.443 218 L N -0.493 120.849 121.223 0.198 0.000 2.056 218 L HA -0.051 4.338 4.340 0.082 0.000 0.207 218 L C 2.928 180.077 176.870 0.464 0.000 1.078 218 L CA 1.811 56.889 54.840 0.396 0.000 0.749 218 L CB -1.164 41.108 42.059 0.355 0.000 0.901 218 L HN 0.401 nan 8.230 nan 0.000 0.433 219 A N -0.588 122.371 122.820 0.232 0.000 1.930 219 A HA -0.158 4.211 4.320 0.082 0.000 0.217 219 A C 2.354 180.018 177.584 0.134 0.000 1.175 219 A CA 1.812 53.942 52.037 0.154 0.000 0.627 219 A CB -0.762 18.226 19.000 -0.020 0.000 0.815 219 A HN 0.450 nan 8.150 nan 0.000 0.443 220 E N 0.239 120.501 120.200 0.105 0.000 2.072 220 E HA -0.102 4.297 4.350 0.082 0.000 0.191 220 E C 1.820 178.451 176.600 0.051 0.000 0.985 220 E CA 1.340 57.780 56.400 0.067 0.000 0.801 220 E CB -0.823 28.910 29.700 0.056 0.000 0.750 220 E HN 0.710 nan 8.360 nan 0.000 0.452 221 I N -0.423 120.193 120.570 0.077 0.000 2.142 221 I HA 0.171 4.390 4.170 0.082 0.000 0.240 221 I C 1.548 177.557 176.117 -0.181 0.000 1.078 221 I CA 1.218 62.499 61.300 -0.032 0.000 1.343 221 I CB -0.336 37.676 38.000 0.021 0.000 1.046 221 I HN 0.514 nan 8.210 nan 0.000 0.405 222 G N 0.653 109.382 108.800 -0.118 0.000 3.338 222 G HA2 -0.126 3.883 3.960 0.082 0.000 0.686 222 G HA3 -0.126 3.883 3.960 0.082 0.000 0.686 222 G C -0.857 173.735 174.900 -0.513 0.000 1.053 222 G CA -0.881 44.151 45.100 -0.114 0.000 0.852 222 G HN 0.069 nan 8.290 nan 0.000 0.545 223 F N 0.351 120.231 119.950 -0.117 0.000 2.650 223 F HA 0.561 5.137 4.527 0.082 0.000 0.320 223 F C 0.988 176.513 175.800 -0.458 0.000 1.091 223 F CA -0.921 56.833 58.000 -0.410 0.000 0.962 223 F CB 1.545 40.109 39.000 -0.728 0.000 1.363 223 F HN 0.343 nan 8.300 nan 0.000 0.482 224 D N 0.133 120.337 120.400 -0.327 0.000 2.289 224 D HA 0.222 4.911 4.640 0.082 0.000 0.207 224 D C 0.563 176.436 176.300 -0.710 0.000 0.966 224 D CA 0.840 54.520 54.000 -0.533 0.000 0.868 224 D CB 0.522 40.809 40.800 -0.856 0.000 0.943 224 D HN 0.591 nan 8.370 nan 0.000 0.514 225 G N -0.732 107.378 108.800 -1.150 0.000 2.646 225 G HA2 0.469 4.478 3.960 0.082 0.000 0.291 225 G HA3 0.469 4.478 3.960 0.082 0.000 0.291 225 G C -2.083 171.926 174.900 -1.485 0.000 1.445 225 G CA -0.741 43.349 45.100 -1.684 0.000 0.814 225 G HN -0.066 nan 8.290 nan 0.000 0.495 226 Y N -0.054 119.890 120.300 -0.592 0.000 2.346 226 Y HA 0.678 5.277 4.550 0.082 0.000 0.332 226 Y C 0.529 176.354 175.900 -0.124 0.000 0.985 226 Y CA -0.586 57.356 58.100 -0.264 0.000 1.112 226 Y CB 2.355 40.733 38.460 -0.136 0.000 1.170 226 Y HN 0.825 nan 8.280 nan 0.000 0.447 227 A N 2.283 125.113 122.820 0.016 0.000 2.295 227 A HA 0.775 5.144 4.320 0.082 0.000 0.318 227 A C -0.982 176.540 177.584 -0.104 0.000 1.134 227 A CA -0.719 51.288 52.037 -0.049 0.000 0.827 227 A CB 0.758 19.668 19.000 -0.151 0.000 1.136 227 A HN 0.526 nan 8.150 nan 0.000 0.493 228 V N 2.434 122.253 119.914 -0.159 0.000 2.334 228 V HA 0.521 4.690 4.120 0.082 0.000 0.267 228 V C 1.009 177.002 176.094 -0.169 0.000 1.040 228 V CA 0.145 62.364 62.300 -0.135 0.000 0.866 228 V CB 0.538 32.290 31.823 -0.118 0.000 1.019 228 V HN 1.095 nan 8.190 nan 0.000 0.468 229 G N 2.637 111.359 108.800 -0.129 0.000 2.531 229 G HA2 0.543 4.553 3.960 0.082 0.000 0.313 229 G HA3 0.543 4.553 3.960 0.082 0.000 0.313 229 G C 0.894 175.752 174.900 -0.070 0.000 1.238 229 G CA -0.070 44.959 45.100 -0.117 0.000 0.994 229 G HN 1.546 nan 8.290 nan 0.000 0.493 230 G N -1.784 106.995 108.800 -0.035 0.000 2.168 230 G HA2 -0.224 3.785 3.960 0.082 0.000 0.257 230 G HA3 -0.224 3.785 3.960 0.082 0.000 0.257 230 G C 0.227 175.112 174.900 -0.025 0.000 0.997 230 G CA 0.863 45.962 45.100 -0.002 0.000 0.708 230 G HN 0.580 nan 8.290 nan 0.000 0.520 231 L N -1.754 119.437 121.223 -0.053 0.000 2.260 231 L HA 0.742 5.131 4.340 0.082 0.000 0.265 231 L C 1.578 178.412 176.870 -0.060 0.000 1.015 231 L CA -0.696 54.097 54.840 -0.079 0.000 0.826 231 L CB 1.493 43.501 42.059 -0.085 0.000 1.373 231 L HN 1.157 nan 8.230 nan 0.000 0.450 232 A N 0.459 123.232 122.820 -0.078 0.000 2.791 232 A HA -0.119 4.250 4.320 0.082 0.000 0.292 232 A C 0.290 177.872 177.584 -0.003 0.000 1.487 232 A CA 0.859 52.870 52.037 -0.044 0.000 0.760 232 A CB -2.183 16.806 19.000 -0.017 0.000 1.031 232 A HN 1.000 nan 8.150 nan 0.000 0.503 233 V N -4.744 115.153 119.914 -0.029 0.000 3.111 233 V HA 0.699 4.868 4.120 0.082 0.000 0.343 233 V C 1.269 177.389 176.094 0.044 0.000 1.417 233 V CA 0.594 62.925 62.300 0.052 0.000 1.142 233 V CB -0.123 31.756 31.823 0.093 0.000 1.114 233 V HN 2.385 nan 8.190 nan 0.000 0.520 234 G N 1.518 110.295 108.800 -0.037 0.000 2.227 234 G HA2 -0.200 3.809 3.960 0.082 0.000 0.168 234 G HA3 -0.200 3.809 3.960 0.082 0.000 0.168 234 G C 0.762 175.564 174.900 -0.164 0.000 1.006 234 G CA 0.303 45.398 45.100 -0.009 0.000 0.684 234 G HN 0.664 nan 8.290 nan 0.000 0.489 235 E N 1.480 121.350 120.200 -0.550 0.000 2.358 235 E HA 0.377 4.776 4.350 0.082 0.000 0.195 235 E C 1.215 177.621 176.600 -0.323 0.000 1.010 235 E CA 1.341 57.257 56.400 -0.807 0.000 0.856 235 E CB -0.142 28.891 29.700 -1.111 0.000 0.795 235 E HN 1.987 nan 8.360 nan 0.000 0.504 236 G N 1.456 110.120 108.800 -0.226 0.000 2.692 236 G HA2 -0.286 3.723 3.960 0.082 0.000 0.686 236 G HA3 -0.286 3.723 3.960 0.082 0.000 0.686 236 G C 0.097 174.859 174.900 -0.229 0.000 1.243 236 G CA 0.052 45.051 45.100 -0.168 0.000 0.782 236 G HN 0.191 nan 8.290 nan 0.000 0.625 237 Q N -0.294 119.345 119.800 -0.268 0.000 2.050 237 Q HA -0.152 4.237 4.340 0.082 0.000 0.202 237 Q C 2.104 177.775 176.000 -0.548 0.000 0.980 237 Q CA 2.236 57.737 55.803 -0.504 0.000 0.840 237 Q CB -0.117 28.293 28.738 -0.547 0.000 0.898 237 Q HN 0.680 nan 8.270 nan 0.000 0.424 238 D N 0.244 120.464 120.400 -0.301 0.000 2.116 238 D HA -0.208 4.481 4.640 0.082 0.000 0.193 238 D C 1.744 177.986 176.300 -0.097 0.000 0.998 238 D CA 1.606 55.517 54.000 -0.148 0.000 0.836 238 D CB -0.214 40.543 40.800 -0.071 0.000 0.951 238 D HN 0.323 nan 8.370 nan 0.000 0.449 239 E N 0.111 120.237 120.200 -0.123 0.000 2.106 239 E HA -0.105 4.294 4.350 0.082 0.000 0.192 239 E C 2.079 178.601 176.600 -0.129 0.000 0.984 239 E CA 0.601 56.938 56.400 -0.106 0.000 0.806 239 E CB -0.208 29.411 29.700 -0.135 0.000 0.750 239 E HN 0.227 nan 8.360 nan 0.000 0.458 240 M N -0.684 118.812 119.600 -0.173 0.000 2.086 240 M HA -0.150 4.379 4.480 0.082 0.000 0.261 240 M C 1.223 177.540 176.300 0.029 0.000 1.067 240 M CA 1.468 56.694 55.300 -0.123 0.000 1.116 240 M CB -0.115 32.397 32.600 -0.146 0.000 1.348 240 M HN 0.142 nan 8.290 nan 0.000 0.407 241 F N 0.364 120.257 119.950 -0.095 0.000 2.186 241 F HA -0.095 4.481 4.527 0.081 0.000 0.299 241 F C 2.657 178.376 175.800 -0.136 0.000 1.090 241 F CA 1.342 59.291 58.000 -0.084 0.000 1.307 241 F CB -1.324 37.653 39.000 -0.037 0.000 1.019 241 F HN 0.285 nan 8.300 nan 0.000 0.489 242 R N 0.425 120.959 120.500 0.057 0.000 2.081 242 R HA -0.129 4.260 4.340 0.082 0.000 0.235 242 R C 2.038 178.128 176.300 -0.350 0.000 1.131 242 R CA 1.636 57.705 56.100 -0.052 0.000 0.960 242 R CB -0.429 29.878 30.300 0.010 0.000 0.856 242 R HN 0.140 nan 8.270 nan 0.000 0.436 243 V N 1.438 121.084 119.914 -0.448 0.000 2.358 243 V HA -0.221 3.949 4.120 0.082 0.000 0.246 243 V C 2.406 177.968 176.094 -0.886 0.000 1.047 243 V CA 1.537 63.269 62.300 -0.947 0.000 1.035 243 V CB -0.386 31.182 31.823 -0.425 0.000 0.658 243 V HN 0.334 nan 8.190 nan 0.000 0.452 244 L N -0.225 120.768 121.223 -0.384 0.000 2.079 244 L HA -0.207 4.182 4.340 0.082 0.000 0.210 244 L C 2.422 179.146 176.870 -0.245 0.000 1.081 244 L CA 1.526 56.224 54.840 -0.237 0.000 0.752 244 L CB -0.803 41.217 42.059 -0.066 0.000 0.896 244 L HN 0.336 nan 8.230 nan 0.000 0.433 245 D N 0.264 120.519 120.400 -0.241 0.000 2.149 245 D HA -0.231 4.458 4.640 0.082 0.000 0.194 245 D C 1.846 178.120 176.300 -0.044 0.000 1.001 245 D CA 1.862 55.791 54.000 -0.118 0.000 0.849 245 D CB -0.142 40.627 40.800 -0.052 0.000 0.939 245 D HN 0.505 nan 8.370 nan 0.000 0.449 246 F N -0.969 118.980 119.950 -0.003 0.000 2.656 246 F HA 0.380 4.956 4.527 0.083 0.000 0.291 246 F C 2.150 177.932 175.800 -0.030 0.000 1.122 246 F CA -0.150 57.844 58.000 -0.011 0.000 1.427 246 F CB -0.471 38.528 39.000 -0.001 0.000 1.125 246 F HN -0.256 nan 8.300 nan 0.000 0.583 247 S N 1.026 116.719 115.700 -0.012 0.000 2.388 247 S HA -0.036 4.483 4.470 0.082 0.000 0.223 247 S C 2.155 176.719 174.600 -0.060 0.000 1.034 247 S CA 1.145 59.373 58.200 0.046 0.000 0.963 247 S CB -0.412 62.744 63.200 -0.073 0.000 0.827 247 S HN 0.241 nan 8.310 nan 0.000 0.481 248 V N 2.720 122.562 119.914 -0.120 0.000 2.358 248 V HA -0.067 4.102 4.120 0.082 0.000 0.246 248 V C -1.029 174.943 176.094 -0.204 0.000 1.047 248 V CA 1.484 63.658 62.300 -0.210 0.000 1.035 248 V CB -1.846 29.879 31.823 -0.164 0.000 0.658 248 V HN 0.323 nan 8.190 nan 0.000 0.452 249 P HA -0.076 nan 4.420 nan 0.000 0.228 249 P C 1.597 178.858 177.300 -0.065 0.000 1.151 249 P CA 1.200 64.269 63.100 -0.051 0.000 0.770 249 P CB -0.155 31.548 31.700 0.004 0.000 0.786 250 M N -1.861 117.695 119.600 -0.074 0.000 2.492 250 M HA 0.005 4.534 4.480 0.082 0.000 0.262 250 M C 0.623 176.829 176.300 -0.156 0.000 1.090 250 M CA 0.749 56.003 55.300 -0.077 0.000 1.110 250 M CB -0.397 32.181 32.600 -0.037 0.000 1.407 250 M HN -0.092 nan 8.290 nan 0.000 0.470 251 L N 0.664 121.738 121.223 -0.247 0.000 2.418 251 L HA 0.308 4.698 4.340 0.082 0.000 0.265 251 L C -2.069 174.650 176.870 -0.252 0.000 1.143 251 L CA -2.263 52.352 54.840 -0.375 0.000 0.809 251 L CB -0.257 41.502 42.059 -0.499 0.000 1.124 251 L HN -0.246 nan 8.230 nan 0.000 0.456 252 P HA -0.081 nan 4.420 nan 0.000 0.260 252 P C -0.055 177.351 177.300 0.178 0.000 1.172 252 P CA 0.379 63.431 63.100 -0.081 0.000 0.760 252 P CB 0.489 32.120 31.700 -0.116 0.000 0.773 253 D N 2.815 123.309 120.400 0.157 0.000 2.178 253 D HA -0.183 4.506 4.640 0.082 0.000 0.202 253 D C 1.058 177.468 176.300 0.184 0.000 0.974 253 D CA 1.154 55.282 54.000 0.214 0.000 0.841 253 D CB -0.033 40.842 40.800 0.125 0.000 0.953 253 D HN 0.375 nan 8.370 nan 0.000 0.478 254 D N -0.781 119.722 120.400 0.171 0.000 2.336 254 D HA -0.025 4.665 4.640 0.082 0.000 0.229 254 D C -0.051 176.455 176.300 0.344 0.000 1.061 254 D CA 0.234 54.351 54.000 0.195 0.000 0.875 254 D CB 0.039 40.920 40.800 0.135 0.000 0.904 254 D HN 0.026 nan 8.370 nan 0.000 0.525 255 K N 0.650 121.223 120.400 0.287 0.000 2.340 255 K HA 0.476 4.845 4.320 0.082 0.000 0.244 255 K C -2.809 173.641 176.600 -0.249 0.000 0.973 255 K CA -2.384 54.022 56.287 0.199 0.000 0.828 255 K CB 1.464 34.126 32.500 0.271 0.000 1.226 255 K HN -0.111 nan 8.250 nan 0.000 0.437 256 P HA 0.107 nan 4.420 nan 0.000 0.269 256 P C -0.914 176.194 177.300 -0.320 0.000 1.209 256 P CA 0.131 62.723 63.100 -0.846 0.000 0.776 256 P CB 0.214 31.508 31.700 -0.677 0.000 0.876 257 H N 1.036 120.010 119.070 -0.159 0.000 2.551 257 H HA 0.316 4.922 4.556 0.082 0.000 0.321 257 H C -0.878 174.430 175.328 -0.033 0.000 1.028 257 H CA -0.661 55.347 56.048 -0.067 0.000 1.215 257 H CB 0.688 30.419 29.762 -0.051 0.000 1.414 257 H HN 0.404 nan 8.280 nan 0.000 0.480 258 Y N 4.317 124.607 120.300 -0.017 0.000 2.334 258 Y HA 0.284 4.884 4.550 0.083 0.000 0.336 258 Y C -1.574 174.249 175.900 -0.129 0.000 0.960 258 Y CA -1.885 56.163 58.100 -0.087 0.000 1.164 258 Y CB 0.754 39.258 38.460 0.074 0.000 1.155 258 Y HN 0.499 nan 8.280 nan 0.000 0.478 259 L N 7.774 128.887 121.223 -0.182 0.000 2.261 259 L HA 0.426 4.815 4.340 0.082 0.000 0.289 259 L C -0.624 176.084 176.870 -0.269 0.000 1.059 259 L CA -0.301 54.393 54.840 -0.244 0.000 0.816 259 L CB 0.236 42.210 42.059 -0.142 0.000 1.191 259 L HN 0.699 nan 8.230 nan 0.000 0.431 260 M N 5.332 124.633 119.600 -0.499 0.000 2.217 260 M HA 0.297 4.826 4.480 0.082 0.000 0.352 260 M C 1.314 177.497 176.300 -0.195 0.000 1.376 260 M CA 0.617 55.623 55.300 -0.489 0.000 1.107 260 M CB 0.445 32.714 32.600 -0.551 0.000 1.723 260 M HN 0.878 nan 8.290 nan 0.000 0.461 261 G N 2.497 111.249 108.800 -0.081 0.000 2.157 261 G HA2 -0.176 3.833 3.960 0.082 0.000 0.248 261 G HA3 -0.176 3.833 3.960 0.082 0.000 0.248 261 G C -0.220 174.720 174.900 0.066 0.000 0.979 261 G CA -0.294 44.763 45.100 -0.071 0.000 0.650 261 G HN 0.571 nan 8.290 nan 0.000 0.529 262 V N 0.274 120.301 119.914 0.189 0.000 2.483 262 V HA 0.928 5.097 4.120 0.082 0.000 0.295 262 V C 0.820 177.164 176.094 0.417 0.000 1.035 262 V CA 0.640 63.109 62.300 0.282 0.000 0.896 262 V CB 1.248 33.271 31.823 0.334 0.000 0.986 262 V HN 1.502 nan 8.190 nan 0.000 0.447 263 G N 2.528 111.510 108.800 0.303 0.000 2.356 263 G HA2 0.550 4.559 3.960 0.082 0.000 0.281 263 G HA3 0.550 4.559 3.960 0.082 0.000 0.281 263 G C -0.517 174.459 174.900 0.126 0.000 1.246 263 G CA -0.127 45.084 45.100 0.185 0.000 0.889 263 G HN 0.828 nan 8.290 nan 0.000 0.486 264 K N 0.274 120.727 120.400 0.088 0.000 2.336 264 K HA 0.568 4.937 4.320 0.082 0.000 0.262 264 K C -1.065 175.446 176.600 -0.150 0.000 0.992 264 K CA 0.091 56.401 56.287 0.038 0.000 0.927 264 K CB -0.658 31.932 32.500 0.151 0.000 0.956 264 K HN 0.274 nan 8.250 nan 0.000 0.495 265 P HA -0.254 nan 4.420 nan 0.000 0.216 265 P C 0.771 177.892 177.300 -0.299 0.000 1.154 265 P CA 1.692 64.482 63.100 -0.516 0.000 0.865 265 P CB 0.218 31.641 31.700 -0.462 0.000 0.789 266 D N -1.356 119.013 120.400 -0.052 0.000 2.224 266 D HA -0.148 4.541 4.640 0.082 0.000 0.205 266 D C 1.194 177.639 176.300 0.240 0.000 0.965 266 D CA 0.896 55.024 54.000 0.212 0.000 0.852 266 D CB -0.969 40.123 40.800 0.486 0.000 0.947 266 D HN 0.125 nan 8.370 nan 0.000 0.494 267 D N 1.227 121.731 120.400 0.174 0.000 2.104 267 D HA -0.093 4.596 4.640 0.082 0.000 0.194 267 D C 2.390 178.816 176.300 0.210 0.000 0.994 267 D CA 0.588 54.742 54.000 0.257 0.000 0.830 267 D CB -0.181 40.706 40.800 0.145 0.000 0.959 267 D HN 0.338 nan 8.370 nan 0.000 0.452 268 I N 0.518 121.030 120.570 -0.095 0.000 2.142 268 I HA -0.237 3.982 4.170 0.082 0.000 0.240 268 I C 2.487 178.492 176.117 -0.188 0.000 1.078 268 I CA 0.671 61.699 61.300 -0.454 0.000 1.343 268 I CB -0.217 37.315 38.000 -0.780 0.000 1.046 268 I HN -0.110 nan 8.210 nan 0.000 0.405 269 V N 1.055 120.894 119.914 -0.125 0.000 2.287 269 V HA -0.247 3.922 4.120 0.082 0.000 0.248 269 V C 2.568 178.726 176.094 0.107 0.000 1.053 269 V CA 2.292 64.608 62.300 0.025 0.000 1.027 269 V CB -1.419 30.337 31.823 -0.112 0.000 0.646 269 V HN 0.595 nan 8.190 nan 0.000 0.447 270 G N -0.741 108.084 108.800 0.042 0.000 2.422 270 G HA2 -0.150 3.859 3.960 0.082 0.000 0.218 270 G HA3 -0.150 3.859 3.960 0.082 0.000 0.218 270 G C 1.713 176.420 174.900 -0.321 0.000 1.140 270 G CA 0.954 45.867 45.100 -0.310 0.000 0.775 270 G HN 0.615 nan 8.290 nan 0.000 0.545 271 A N 0.104 122.943 122.820 0.033 0.000 1.968 271 A HA 0.175 4.544 4.320 0.082 0.000 0.217 271 A C 2.538 180.266 177.584 0.239 0.000 1.169 271 A CA 1.496 53.645 52.037 0.188 0.000 0.638 271 A CB -0.402 18.904 19.000 0.510 0.000 0.812 271 A HN 0.222 nan 8.150 nan 0.000 0.446 272 V N 0.347 120.454 119.914 0.323 0.000 2.427 272 V HA -0.243 3.926 4.120 0.082 0.000 0.248 272 V C 2.217 178.456 176.094 0.243 0.000 1.051 272 V CA 2.096 64.558 62.300 0.270 0.000 1.048 272 V CB -0.824 31.109 31.823 0.184 0.000 0.666 272 V HN 0.631 nan 8.190 nan 0.000 0.456 273 E N -0.151 120.233 120.200 0.307 0.000 2.333 273 E HA -0.171 4.228 4.350 0.082 0.000 0.198 273 E C 1.951 178.602 176.600 0.085 0.000 1.007 273 E CA 0.718 57.268 56.400 0.250 0.000 0.845 273 E CB -0.072 29.664 29.700 0.060 0.000 0.766 273 E HN 0.536 nan 8.360 nan 0.000 0.507 274 R N -0.979 119.540 120.500 0.032 0.000 2.432 274 R HA 0.141 4.530 4.340 0.082 0.000 0.260 274 R C 0.689 177.016 176.300 0.046 0.000 0.935 274 R CA 0.425 56.524 56.100 -0.003 0.000 1.080 274 R CB 1.175 31.424 30.300 -0.084 0.000 1.155 274 R HN 0.175 nan 8.270 nan 0.000 0.531 275 G N 0.900 109.760 108.800 0.099 0.000 2.148 275 G HA2 -0.179 3.830 3.960 0.082 0.000 0.203 275 G HA3 -0.179 3.830 3.960 0.082 0.000 0.203 275 G C -0.016 175.005 174.900 0.202 0.000 0.993 275 G CA -0.642 44.549 45.100 0.151 0.000 0.661 275 G HN 0.077 nan 8.290 nan 0.000 0.518 276 I N 1.516 122.161 120.570 0.124 0.000 2.474 276 I HA 0.297 4.516 4.170 0.082 0.000 0.287 276 I C 0.524 176.640 176.117 -0.003 0.000 1.048 276 I CA -0.281 61.033 61.300 0.023 0.000 1.383 276 I CB 1.161 39.090 38.000 -0.119 0.000 1.412 276 I HN 0.058 nan 8.210 nan 0.000 0.531 277 D N 5.194 125.548 120.400 -0.076 0.000 2.423 277 D HA 0.207 4.896 4.640 0.082 0.000 0.208 277 D C 0.269 176.529 176.300 -0.067 0.000 1.068 277 D CA 0.705 54.684 54.000 -0.037 0.000 0.860 277 D CB 1.022 41.773 40.800 -0.082 0.000 0.992 277 D HN 0.413 nan 8.370 nan 0.000 0.504 278 M N 0.103 119.547 119.600 -0.260 0.000 2.421 278 M HA 0.427 4.956 4.480 0.082 0.000 0.287 278 M C -1.623 174.462 176.300 -0.358 0.000 1.183 278 M CA -0.565 54.631 55.300 -0.172 0.000 0.916 278 M CB 3.029 35.540 32.600 -0.148 0.000 1.701 278 M HN -0.309 nan 8.290 nan 0.000 0.470 279 F N 0.497 120.534 119.950 0.145 0.000 2.601 279 F HA 0.565 5.141 4.527 0.081 0.000 0.309 279 F C -0.679 175.096 175.800 -0.042 0.000 1.089 279 F CA -0.804 57.322 58.000 0.209 0.000 0.940 279 F CB 1.853 41.049 39.000 0.327 0.000 1.273 279 F HN 0.541 nan 8.300 nan 0.000 0.450 280 D N 0.763 121.299 120.400 0.228 0.000 2.645 280 D HA 0.603 5.293 4.640 0.082 0.000 0.228 280 D C -1.616 174.734 176.300 0.084 0.000 1.148 280 D CA -0.460 53.468 54.000 -0.119 0.000 0.860 280 D CB 2.309 43.065 40.800 -0.074 0.000 1.548 280 D HN 0.702 nan 8.370 nan 0.000 0.460 281 C N 1.526 120.861 119.300 0.058 0.000 3.247 281 C HA 0.294 4.803 4.460 0.082 0.000 0.375 281 C C 0.918 175.973 174.990 0.108 0.000 1.102 281 C CA -0.318 58.803 59.018 0.172 0.000 1.227 281 C CB 0.885 28.830 27.740 0.341 0.000 1.586 281 C HN 0.608 nan 8.230 nan 0.000 0.544 282 V N 4.077 124.018 119.914 0.046 0.000 3.461 282 V HA 0.108 4.277 4.120 0.082 0.000 0.267 282 V C 1.718 177.822 176.094 0.018 0.000 1.186 282 V CA 1.076 63.386 62.300 0.017 0.000 1.154 282 V CB -0.805 31.024 31.823 0.011 0.000 0.802 282 V HN 0.866 nan 8.190 nan 0.000 0.474 283 L N 0.938 122.179 121.223 0.029 0.000 1.990 283 L HA -0.062 4.327 4.340 0.082 0.000 0.213 283 L C 0.454 177.344 176.870 0.032 0.000 1.072 283 L CA 2.732 57.606 54.840 0.058 0.000 0.755 283 L CB -1.393 40.722 42.059 0.094 0.000 0.889 283 L HN 0.371 nan 8.230 nan 0.000 0.432 284 P HA -0.136 nan 4.420 nan 0.000 0.216 284 P C 1.414 178.698 177.300 -0.028 0.000 1.150 284 P CA 2.063 65.042 63.100 -0.201 0.000 0.837 284 P CB -0.216 31.059 31.700 -0.708 0.000 0.786 285 T N -1.596 112.932 114.554 -0.044 0.000 2.735 285 T HA -0.039 4.360 4.350 0.082 0.000 0.256 285 T C 2.130 176.829 174.700 -0.002 0.000 1.042 285 T CA 0.665 62.753 62.100 -0.019 0.000 1.147 285 T CB -0.808 68.041 68.868 -0.031 0.000 0.865 285 T HN 0.003 nan 8.240 nan 0.000 0.421 286 R N 1.560 122.064 120.500 0.006 0.000 2.080 286 R HA -0.118 4.272 4.340 0.082 0.000 0.236 286 R C 2.818 179.127 176.300 0.016 0.000 1.137 286 R CA 2.009 58.117 56.100 0.012 0.000 0.943 286 R CB -0.534 29.781 30.300 0.025 0.000 0.846 286 R HN 0.570 nan 8.270 nan 0.000 0.431 287 S N -0.931 114.796 115.700 0.045 0.000 2.428 287 S HA -0.006 4.513 4.470 0.082 0.000 0.230 287 S C 2.065 176.654 174.600 -0.017 0.000 1.014 287 S CA 0.788 59.002 58.200 0.025 0.000 0.957 287 S CB -0.276 62.968 63.200 0.073 0.000 0.784 287 S HN 0.516 nan 8.310 nan 0.000 0.499 288 G N 2.260 111.067 108.800 0.011 0.000 2.446 288 G HA2 -0.184 3.825 3.960 0.082 0.000 0.217 288 G HA3 -0.184 3.825 3.960 0.082 0.000 0.217 288 G C 1.708 176.581 174.900 -0.044 0.000 1.168 288 G CA 0.545 45.636 45.100 -0.015 0.000 0.771 288 G HN 0.584 nan 8.290 nan 0.000 0.551 289 R N 0.305 120.783 120.500 -0.037 0.000 2.237 289 R HA 0.015 4.404 4.340 0.082 0.000 0.219 289 R C 1.392 177.655 176.300 -0.060 0.000 1.080 289 R CA 0.832 56.901 56.100 -0.052 0.000 0.995 289 R CB -0.106 30.169 30.300 -0.041 0.000 0.875 289 R HN 0.253 nan 8.270 nan 0.000 0.462 290 N N -0.282 118.386 118.700 -0.053 0.000 2.336 290 N HA 0.032 4.821 4.740 0.082 0.000 0.189 290 N C 0.906 176.370 175.510 -0.076 0.000 1.113 290 N CA 0.916 53.932 53.050 -0.056 0.000 0.858 290 N CB 1.317 39.781 38.487 -0.038 0.000 0.970 290 N HN 0.422 nan 8.380 nan 0.000 0.471 291 G N 0.840 109.584 108.800 -0.095 0.000 2.176 291 G HA2 -0.269 3.740 3.960 0.082 0.000 0.232 291 G HA3 -0.269 3.740 3.960 0.082 0.000 0.232 291 G C 0.000 174.811 174.900 -0.149 0.000 0.986 291 G CA -0.125 44.906 45.100 -0.115 0.000 0.643 291 G HN 0.460 nan 8.290 nan 0.000 0.522 292 Q N 0.645 120.344 119.800 -0.168 0.000 2.294 292 Q HA 0.670 5.060 4.340 0.082 0.000 0.257 292 Q C 0.079 175.858 176.000 -0.369 0.000 0.955 292 Q CA 0.155 55.789 55.803 -0.282 0.000 0.936 292 Q CB 0.879 29.435 28.738 -0.302 0.000 1.188 292 Q HN 0.847 nan 8.270 nan 0.000 0.420 293 A N 4.658 127.233 122.820 -0.408 0.000 2.288 293 A HA 0.552 4.921 4.320 0.082 0.000 0.320 293 A C -1.206 176.074 177.584 -0.508 0.000 1.217 293 A CA -0.588 51.254 52.037 -0.326 0.000 0.840 293 A CB 0.387 19.214 19.000 -0.288 0.000 1.179 293 A HN 0.743 nan 8.150 nan 0.000 0.504 294 F N 1.824 121.657 119.950 -0.195 0.000 2.412 294 F HA 0.509 5.083 4.527 0.078 0.000 0.348 294 F C 1.364 176.648 175.800 -0.861 0.000 1.102 294 F CA 0.676 58.347 58.000 -0.549 0.000 1.196 294 F CB 1.741 40.340 39.000 -0.669 0.000 1.144 294 F HN 0.660 nan 8.300 nan 0.000 0.541 295 T N -1.716 112.454 114.554 -0.640 0.000 2.865 295 T HA 0.271 4.670 4.350 0.082 0.000 0.294 295 T C 0.193 174.769 174.700 -0.208 0.000 1.119 295 T CA -0.896 60.920 62.100 -0.472 0.000 1.007 295 T CB 0.815 69.588 68.868 -0.159 0.000 1.225 295 T HN 0.592 nan 8.240 nan 0.000 0.515 296 W N 0.186 121.689 121.300 0.339 0.000 2.519 296 W HA 0.123 4.832 4.660 0.081 0.000 0.266 296 W C 1.299 177.894 176.519 0.127 0.000 1.253 296 W CA 0.126 57.714 57.345 0.405 0.000 1.274 296 W CB 0.073 29.741 29.460 0.346 0.000 1.114 296 W HN 0.659 nan 8.180 nan 0.000 0.596 297 D N -0.130 120.376 120.400 0.176 0.000 2.319 297 D HA 0.229 4.919 4.640 0.082 0.000 0.230 297 D C 1.127 177.237 176.300 -0.317 0.000 1.094 297 D CA 1.131 55.105 54.000 -0.044 0.000 0.856 297 D CB -0.026 40.776 40.800 0.003 0.000 0.915 297 D HN 0.132 nan 8.370 nan 0.000 0.517 298 G N 1.989 110.418 108.800 -0.618 0.000 2.555 298 G HA2 -0.140 3.869 3.960 0.082 0.000 0.686 298 G HA3 -0.140 3.869 3.960 0.082 0.000 0.686 298 G C -3.027 171.531 174.900 -0.569 0.000 1.275 298 G CA -1.139 43.313 45.100 -1.079 0.000 0.871 298 G HN -0.135 nan 8.290 nan 0.000 0.603 299 P HA 0.579 nan 4.420 nan 0.000 0.274 299 P C 0.105 177.227 177.300 -0.297 0.000 1.231 299 P CA -0.177 62.683 63.100 -0.399 0.000 0.790 299 P CB 0.931 32.403 31.700 -0.379 0.000 0.951 300 I N -1.767 118.626 120.570 -0.294 0.000 2.785 300 I HA 0.558 4.778 4.170 0.082 0.000 0.302 300 I C -0.597 175.420 176.117 -0.168 0.000 1.069 300 I CA -1.108 60.097 61.300 -0.159 0.000 1.045 300 I CB 2.426 40.331 38.000 -0.158 0.000 1.236 300 I HN 0.091 nan 8.210 nan 0.000 0.429 301 N N 3.445 122.136 118.700 -0.015 0.000 2.501 301 N HA 0.241 5.030 4.740 0.082 0.000 0.245 301 N C 0.303 175.842 175.510 0.049 0.000 0.974 301 N CA -0.382 52.652 53.050 -0.027 0.000 0.941 301 N CB 1.706 40.196 38.487 0.006 0.000 1.122 301 N HN 0.832 nan 8.380 nan 0.000 0.507 302 I N 4.363 124.864 120.570 -0.115 0.000 2.756 302 I HA -0.060 4.159 4.170 0.082 0.000 0.262 302 I C 1.987 178.215 176.117 0.184 0.000 1.225 302 I CA 0.939 62.155 61.300 -0.140 0.000 1.472 302 I CB -0.041 37.820 38.000 -0.231 0.000 1.094 302 I HN 0.493 nan 8.210 nan 0.000 0.454 303 R N 0.333 120.898 120.500 0.109 0.000 2.189 303 R HA -0.079 4.310 4.340 0.082 0.000 0.223 303 R C 1.014 177.464 176.300 0.250 0.000 1.092 303 R CA 0.148 56.288 56.100 0.068 0.000 0.989 303 R CB -0.495 29.791 30.300 -0.023 0.000 0.876 303 R HN 0.377 nan 8.270 nan 0.000 0.457 304 N N 0.918 119.806 118.700 0.313 0.000 2.458 304 N HA -0.071 4.718 4.740 0.082 0.000 0.258 304 N C 0.670 176.305 175.510 0.209 0.000 1.219 304 N CA 0.436 53.610 53.050 0.207 0.000 0.902 304 N CB 1.207 39.764 38.487 0.116 0.000 1.076 304 N HN 0.101 nan 8.380 nan 0.000 0.455 305 A N 4.728 127.606 122.820 0.097 0.000 2.076 305 A HA -0.198 4.172 4.320 0.082 0.000 0.220 305 A C 1.971 179.453 177.584 -0.171 0.000 1.160 305 A CA 1.484 53.539 52.037 0.030 0.000 0.653 305 A CB -0.393 18.616 19.000 0.014 0.000 0.801 305 A HN 0.904 nan 8.150 nan 0.000 0.455 306 R N -1.854 118.466 120.500 -0.301 0.000 2.341 306 R HA -0.023 4.366 4.340 0.082 0.000 0.213 306 R C 0.430 176.385 176.300 -0.574 0.000 1.082 306 R CA 1.365 57.183 56.100 -0.469 0.000 1.017 306 R CB -0.480 29.454 30.300 -0.610 0.000 0.860 306 R HN 0.393 nan 8.270 nan 0.000 0.473 307 F N 1.126 120.953 119.950 -0.205 0.000 2.695 307 F HA 0.202 4.781 4.527 0.086 0.000 0.303 307 F C 2.028 177.578 175.800 -0.417 0.000 1.091 307 F CA 0.035 57.897 58.000 -0.231 0.000 1.300 307 F CB 0.621 39.549 39.000 -0.120 0.000 1.071 307 F HN 0.120 nan 8.300 nan 0.000 0.578 308 S N -0.448 114.962 115.700 -0.483 0.000 2.474 308 S HA -0.099 4.421 4.470 0.082 0.000 0.235 308 S C 1.102 175.617 174.600 -0.142 0.000 0.997 308 S CA 1.076 58.944 58.200 -0.553 0.000 0.949 308 S CB -0.285 62.710 63.200 -0.341 0.000 0.766 308 S HN 0.523 nan 8.310 nan 0.000 0.517 309 E N 0.556 120.706 120.200 -0.083 0.000 2.812 309 E HA 0.178 4.578 4.350 0.082 0.000 0.211 309 E C -1.135 175.473 176.600 0.013 0.000 0.986 309 E CA -0.232 56.158 56.400 -0.017 0.000 1.119 309 E CB 0.442 30.129 29.700 -0.022 0.000 1.046 309 E HN 0.307 nan 8.360 nan 0.000 0.474 310 D N 1.300 121.726 120.400 0.042 0.000 2.365 310 D HA 0.096 4.785 4.640 0.082 0.000 0.237 310 D C 0.744 177.095 176.300 0.086 0.000 1.190 310 D CA -0.128 53.922 54.000 0.083 0.000 0.867 310 D CB 0.894 41.805 40.800 0.186 0.000 1.050 310 D HN 0.173 nan 8.370 nan 0.000 0.491 311 L N 2.986 124.247 121.223 0.064 0.000 2.610 311 L HA 0.044 4.434 4.340 0.082 0.000 0.232 311 L C 1.236 178.143 176.870 0.062 0.000 1.149 311 L CA 0.336 55.214 54.840 0.063 0.000 0.872 311 L CB -0.123 41.961 42.059 0.042 0.000 0.992 311 L HN 0.120 nan 8.230 nan 0.000 0.447 312 K N 1.388 121.826 120.400 0.064 0.000 2.319 312 K HA 0.159 4.528 4.320 0.082 0.000 0.265 312 K C -2.126 174.504 176.600 0.051 0.000 1.000 312 K CA -1.664 54.657 56.287 0.057 0.000 0.943 312 K CB 0.090 32.627 32.500 0.061 0.000 0.950 312 K HN -0.153 nan 8.250 nan 0.000 0.485 313 P HA -0.030 nan 4.420 nan 0.000 0.273 313 P C 0.636 177.916 177.300 -0.033 0.000 1.250 313 P CA -0.381 62.739 63.100 0.034 0.000 0.793 313 P CB 0.498 32.233 31.700 0.059 0.000 1.011 314 L N -0.398 120.748 121.223 -0.129 0.000 2.021 314 L HA -0.117 4.272 4.340 0.082 0.000 0.215 314 L C 1.317 178.071 176.870 -0.194 0.000 1.074 314 L CA 1.988 56.651 54.840 -0.295 0.000 0.760 314 L CB -1.161 40.500 42.059 -0.663 0.000 0.889 314 L HN 0.534 nan 8.230 nan 0.000 0.433 315 D N -2.269 118.093 120.400 -0.064 0.000 2.780 315 D HA 0.136 4.825 4.640 0.082 0.000 0.242 315 D C 0.753 177.161 176.300 0.180 0.000 1.135 315 D CA 0.489 54.556 54.000 0.111 0.000 0.859 315 D CB 1.999 42.953 40.800 0.257 0.000 1.530 315 D HN 0.059 nan 8.370 nan 0.000 0.493 316 S N 1.911 117.729 115.700 0.196 0.000 2.453 316 S HA -0.070 4.449 4.470 0.082 0.000 0.231 316 S C 1.400 176.116 174.600 0.192 0.000 1.005 316 S CA 1.337 59.636 58.200 0.166 0.000 0.949 316 S CB 0.038 63.324 63.200 0.143 0.000 0.774 316 S HN 0.597 nan 8.310 nan 0.000 0.510 317 E N -0.169 120.204 120.200 0.289 0.000 2.465 317 E HA 0.265 4.664 4.350 0.082 0.000 0.209 317 E C 0.746 177.533 176.600 0.313 0.000 0.951 317 E CA 0.269 56.828 56.400 0.265 0.000 0.997 317 E CB -0.799 29.049 29.700 0.247 0.000 1.025 317 E HN 0.663 nan 8.360 nan 0.000 0.500 318 C N 0.541 120.086 119.300 0.409 0.000 2.611 318 C HA 0.435 4.944 4.460 0.082 0.000 0.416 318 C C 1.775 176.925 174.990 0.268 0.000 1.366 318 C CA 1.069 60.328 59.018 0.403 0.000 1.761 318 C CB -0.809 27.220 27.740 0.482 0.000 2.619 318 C HN 0.735 nan 8.230 nan 0.000 0.606 319 H N 3.299 122.504 119.070 0.225 0.000 2.553 319 H HA 0.260 4.865 4.556 0.082 0.000 0.265 319 H C 1.255 176.676 175.328 0.155 0.000 0.964 319 H CA 0.733 56.877 56.048 0.159 0.000 1.156 319 H CB -0.881 28.958 29.762 0.128 0.000 1.411 319 H HN 1.146 nan 8.280 nan 0.000 0.558 320 C N -0.178 119.241 119.300 0.199 0.000 2.700 320 C HA 0.685 5.194 4.460 0.082 0.000 0.397 320 C C 2.425 177.525 174.990 0.184 0.000 1.301 320 C CA 0.119 59.253 59.018 0.193 0.000 2.219 320 C CB 0.042 27.922 27.740 0.232 0.000 2.699 320 C HN 0.739 nan 8.230 nan 0.000 0.669 321 A N 2.131 125.057 122.820 0.177 0.000 2.015 321 A HA 0.017 4.386 4.320 0.082 0.000 0.219 321 A C 2.065 179.788 177.584 0.232 0.000 1.163 321 A CA 1.943 54.077 52.037 0.162 0.000 0.646 321 A CB -0.815 18.285 19.000 0.167 0.000 0.806 321 A HN 1.036 nan 8.150 nan 0.000 0.448 322 V N -0.973 119.141 119.914 0.333 0.000 2.343 322 V HA -0.306 3.863 4.120 0.082 0.000 0.247 322 V C 2.459 178.760 176.094 0.345 0.000 1.051 322 V CA 2.089 64.674 62.300 0.476 0.000 1.036 322 V CB -1.054 30.987 31.823 0.364 0.000 0.654 322 V HN 0.691 nan 8.190 nan 0.000 0.451 323 C N -0.261 119.184 119.300 0.242 0.000 2.481 323 C HA 0.028 4.537 4.460 0.082 0.000 0.275 323 C C 3.229 178.283 174.990 0.105 0.000 1.419 323 C CA 0.710 59.827 59.018 0.165 0.000 1.773 323 C CB -1.307 26.542 27.740 0.182 0.000 1.862 323 C HN 0.721 nan 8.230 nan 0.000 0.530 324 Q N 0.984 120.833 119.800 0.082 0.000 2.167 324 Q HA -0.163 4.227 4.340 0.082 0.000 0.202 324 Q C 1.938 177.882 176.000 -0.094 0.000 0.970 324 Q CA 2.095 57.900 55.803 0.003 0.000 0.855 324 Q CB -0.306 28.429 28.738 -0.005 0.000 0.911 324 Q HN 0.817 nan 8.270 nan 0.000 0.438 325 K N -2.548 117.746 120.400 -0.178 0.000 2.436 325 K HA 0.139 4.508 4.320 0.082 0.000 0.198 325 K C -0.410 175.898 176.600 -0.487 0.000 1.174 325 K CA -0.341 55.648 56.287 -0.498 0.000 0.951 325 K CB 0.793 32.636 32.500 -1.096 0.000 1.040 325 K HN 0.481 nan 8.250 nan 0.000 0.536 326 W N 1.999 123.330 121.300 0.052 0.000 2.689 326 W HA 0.323 5.005 4.660 0.037 0.000 0.340 326 W C -0.048 176.516 176.519 0.074 0.000 1.060 326 W CA -0.896 56.496 57.345 0.078 0.000 1.218 326 W CB 1.520 31.086 29.460 0.176 0.000 1.410 326 W HN -0.009 nan 8.180 nan 0.000 0.528 327 S N 1.247 117.145 115.700 0.330 0.000 2.632 327 S HA 0.353 4.872 4.470 0.082 0.000 0.271 327 S C 1.067 175.785 174.600 0.196 0.000 1.260 327 S CA -0.458 57.866 58.200 0.207 0.000 1.010 327 S CB 1.930 65.231 63.200 0.168 0.000 0.965 327 S HN 0.505 nan 8.310 nan 0.000 0.534 328 R N 1.012 121.569 120.500 0.094 0.000 2.103 328 R HA -0.162 4.227 4.340 0.082 0.000 0.242 328 R C 2.568 178.939 176.300 0.119 0.000 1.142 328 R CA 1.702 57.817 56.100 0.025 0.000 0.960 328 R CB -1.097 29.189 30.300 -0.024 0.000 0.858 328 R HN 0.850 nan 8.270 nan 0.000 0.439 329 A N 0.303 123.218 122.820 0.160 0.000 1.883 329 A HA -0.243 4.126 4.320 0.082 0.000 0.217 329 A C 2.003 179.762 177.584 0.291 0.000 1.186 329 A CA 1.457 53.603 52.037 0.183 0.000 0.624 329 A CB -0.818 18.266 19.000 0.140 0.000 0.822 329 A HN 0.459 nan 8.150 nan 0.000 0.444 330 Y N 0.398 120.795 120.300 0.162 0.000 2.145 330 Y HA -0.155 4.439 4.550 0.073 0.000 0.286 330 Y C 1.999 177.990 175.900 0.151 0.000 1.145 330 Y CA 1.599 59.808 58.100 0.182 0.000 1.148 330 Y CB -0.334 38.244 38.460 0.197 0.000 0.981 330 Y HN 0.272 nan 8.280 nan 0.000 0.507 331 I N -0.781 119.812 120.570 0.039 0.000 2.439 331 I HA -0.277 3.942 4.170 0.082 0.000 0.251 331 I C 2.395 178.447 176.117 -0.107 0.000 1.139 331 I CA 1.523 62.730 61.300 -0.155 0.000 1.438 331 I CB -0.528 37.416 38.000 -0.094 0.000 1.085 331 I HN 0.293 nan 8.210 nan 0.000 0.427 332 H N 0.447 119.476 119.070 -0.069 0.000 2.319 332 H HA -0.322 4.283 4.556 0.081 0.000 0.299 332 H C 2.383 177.691 175.328 -0.033 0.000 1.092 332 H CA 2.522 58.555 56.048 -0.024 0.000 1.302 332 H CB -0.201 29.608 29.762 0.079 0.000 1.373 332 H HN 0.397 nan 8.280 nan 0.000 0.497 333 H N -0.430 118.638 119.070 -0.004 0.000 2.319 333 H HA -0.115 4.489 4.556 0.080 0.000 0.299 333 H C 2.000 177.199 175.328 -0.214 0.000 1.092 333 H CA 1.908 57.902 56.048 -0.090 0.000 1.302 333 H CB -0.451 29.322 29.762 0.018 0.000 1.373 333 H HN 0.341 nan 8.280 nan 0.000 0.497 334 L N 0.327 121.199 121.223 -0.585 0.000 2.012 334 L HA -0.169 4.220 4.340 0.082 0.000 0.210 334 L C 2.416 179.027 176.870 -0.433 0.000 1.073 334 L CA 1.281 55.755 54.840 -0.610 0.000 0.748 334 L CB -0.930 40.787 42.059 -0.570 0.000 0.891 334 L HN 0.449 nan 8.230 nan 0.000 0.431 335 I N -0.925 119.439 120.570 -0.342 0.000 2.252 335 I HA -0.223 3.996 4.170 0.082 0.000 0.245 335 I C 2.590 178.551 176.117 -0.260 0.000 1.102 335 I CA 1.015 62.158 61.300 -0.262 0.000 1.385 335 I CB -0.915 36.958 38.000 -0.212 0.000 1.064 335 I HN 0.319 nan 8.210 nan 0.000 0.414 336 R N 0.733 121.040 120.500 -0.322 0.000 2.096 336 R HA -0.093 4.296 4.340 0.082 0.000 0.235 336 R C 2.073 178.236 176.300 -0.228 0.000 1.127 336 R CA 1.450 57.384 56.100 -0.276 0.000 0.968 336 R CB -0.244 29.854 30.300 -0.337 0.000 0.861 336 R HN 0.325 nan 8.270 nan 0.000 0.440 337 A N -0.071 122.563 122.820 -0.311 0.000 2.238 337 A HA 0.173 4.542 4.320 0.082 0.000 0.208 337 A C 1.359 178.826 177.584 -0.194 0.000 1.177 337 A CA 0.729 52.609 52.037 -0.260 0.000 0.804 337 A CB -0.148 18.609 19.000 -0.405 0.000 0.823 337 A HN 0.450 nan 8.150 nan 0.000 0.482 338 G N -0.382 108.304 108.800 -0.189 0.000 2.179 338 G HA2 -0.228 3.781 3.960 0.082 0.000 0.257 338 G HA3 -0.228 3.781 3.960 0.082 0.000 0.257 338 G C -0.170 174.643 174.900 -0.145 0.000 1.010 338 G CA 0.342 45.356 45.100 -0.144 0.000 0.736 338 G HN 0.505 nan 8.290 nan 0.000 0.513 339 E N -0.564 119.521 120.200 -0.191 0.000 2.338 339 E HA 0.336 4.735 4.350 0.082 0.000 0.272 339 E C 1.827 178.335 176.600 -0.153 0.000 1.029 339 E CA -0.560 55.738 56.400 -0.169 0.000 0.872 339 E CB 0.710 30.281 29.700 -0.216 0.000 1.015 339 E HN 0.301 nan 8.360 nan 0.000 0.417 340 I N 2.261 122.763 120.570 -0.113 0.000 2.264 340 I HA -0.311 3.908 4.170 0.082 0.000 0.248 340 I C 2.224 178.270 176.117 -0.120 0.000 1.111 340 I CA 0.749 61.990 61.300 -0.099 0.000 1.382 340 I CB -0.197 37.762 38.000 -0.069 0.000 1.060 340 I HN 0.414 nan 8.210 nan 0.000 0.418 341 L N 1.173 122.312 121.223 -0.139 0.000 2.187 341 L HA -0.112 4.277 4.340 0.082 0.000 0.213 341 L C 2.266 178.994 176.870 -0.237 0.000 1.100 341 L CA 2.040 56.772 54.840 -0.180 0.000 0.765 341 L CB -1.128 40.821 42.059 -0.184 0.000 0.904 341 L HN 0.194 nan 8.230 nan 0.000 0.437 342 G N -1.033 107.617 108.800 -0.250 0.000 2.421 342 G HA2 -0.269 3.740 3.960 0.082 0.000 0.216 342 G HA3 -0.269 3.740 3.960 0.082 0.000 0.216 342 G C 1.616 176.410 174.900 -0.177 0.000 1.171 342 G CA 0.797 45.744 45.100 -0.255 0.000 0.775 342 G HN 0.617 nan 8.290 nan 0.000 0.543 343 A N 0.474 123.210 122.820 -0.140 0.000 1.902 343 A HA 0.010 4.380 4.320 0.082 0.000 0.217 343 A C 2.481 180.017 177.584 -0.080 0.000 1.181 343 A CA 1.911 53.890 52.037 -0.097 0.000 0.623 343 A CB -0.360 18.592 19.000 -0.080 0.000 0.818 343 A HN 0.398 nan 8.150 nan 0.000 0.443 344 M N -0.629 118.915 119.600 -0.093 0.000 2.067 344 M HA -0.102 4.427 4.480 0.082 0.000 0.260 344 M C 2.129 178.391 176.300 -0.063 0.000 1.069 344 M CA 1.524 56.781 55.300 -0.072 0.000 1.117 344 M CB -0.492 32.058 32.600 -0.085 0.000 1.334 344 M HN 0.364 nan 8.290 nan 0.000 0.407 345 L N -0.720 120.430 121.223 -0.122 0.000 2.056 345 L HA -0.194 4.196 4.340 0.082 0.000 0.207 345 L C 2.683 179.552 176.870 -0.002 0.000 1.078 345 L CA 0.793 55.578 54.840 -0.092 0.000 0.749 345 L CB -0.637 41.286 42.059 -0.226 0.000 0.901 345 L HN 0.389 nan 8.230 nan 0.000 0.433 346 M N -0.586 118.992 119.600 -0.037 0.000 2.117 346 M HA -0.154 4.375 4.480 0.082 0.000 0.262 346 M C 2.320 178.661 176.300 0.067 0.000 1.065 346 M CA 1.833 57.137 55.300 0.008 0.000 1.114 346 M CB -1.320 31.250 32.600 -0.050 0.000 1.361 346 M HN 0.249 nan 8.290 nan 0.000 0.408 347 T N -0.193 114.377 114.554 0.027 0.000 2.777 347 T HA -0.151 4.249 4.350 0.082 0.000 0.266 347 T C 1.756 176.489 174.700 0.056 0.000 1.040 347 T CA 1.461 63.580 62.100 0.031 0.000 1.141 347 T CB -0.153 68.715 68.868 0.001 0.000 0.868 347 T HN 0.470 nan 8.240 nan 0.000 0.444 348 E N 0.305 120.548 120.200 0.073 0.000 2.051 348 E HA -0.263 4.137 4.350 0.082 0.000 0.192 348 E C 2.079 178.758 176.600 0.132 0.000 0.991 348 E CA 1.418 57.877 56.400 0.099 0.000 0.799 348 E CB -0.132 29.637 29.700 0.115 0.000 0.748 348 E HN 0.674 nan 8.360 nan 0.000 0.449 349 H N 0.468 119.593 119.070 0.091 0.000 2.319 349 H HA -0.091 4.511 4.556 0.077 0.000 0.299 349 H C 1.891 177.313 175.328 0.157 0.000 1.092 349 H CA 2.366 58.487 56.048 0.120 0.000 1.302 349 H CB -0.119 29.693 29.762 0.084 0.000 1.373 349 H HN 0.127 nan 8.280 nan 0.000 0.497 350 N N 0.246 118.942 118.700 -0.007 0.000 2.142 350 N HA -0.109 4.680 4.740 0.082 0.000 0.186 350 N C 1.905 177.428 175.510 0.023 0.000 1.023 350 N CA 1.192 54.259 53.050 0.028 0.000 0.852 350 N CB -0.136 38.459 38.487 0.179 0.000 0.998 350 N HN 0.375 nan 8.380 nan 0.000 0.424 351 I N 1.123 121.689 120.570 -0.006 0.000 2.315 351 I HA -0.133 4.087 4.170 0.082 0.000 0.248 351 I C 2.189 178.342 176.117 0.060 0.000 1.117 351 I CA 0.601 61.906 61.300 0.009 0.000 1.404 351 I CB -1.382 36.640 38.000 0.037 0.000 1.071 351 I HN 0.007 nan 8.210 nan 0.000 0.419 352 A N 0.604 123.451 122.820 0.046 0.000 1.902 352 A HA -0.264 4.105 4.320 0.082 0.000 0.217 352 A C 2.307 179.907 177.584 0.027 0.000 1.181 352 A CA 1.354 53.424 52.037 0.055 0.000 0.623 352 A CB -1.077 17.971 19.000 0.079 0.000 0.818 352 A HN 0.371 nan 8.150 nan 0.000 0.443 353 F N -0.728 119.110 119.950 -0.187 0.000 2.069 353 F HA -0.234 4.340 4.527 0.078 0.000 0.298 353 F C 2.141 177.832 175.800 -0.182 0.000 1.113 353 F CA 2.001 59.856 58.000 -0.240 0.000 1.214 353 F CB -0.480 38.290 39.000 -0.383 0.000 0.978 353 F HN 0.299 nan 8.300 nan 0.000 0.474 354 Y N 0.756 120.902 120.300 -0.257 0.000 2.165 354 Y HA -0.259 4.340 4.550 0.082 0.000 0.286 354 Y C 2.620 178.328 175.900 -0.320 0.000 1.155 354 Y CA 1.838 59.666 58.100 -0.454 0.000 1.164 354 Y CB -0.794 37.235 38.460 -0.718 0.000 0.978 354 Y HN 0.163 nan 8.280 nan 0.000 0.513 355 Q N -0.054 119.740 119.800 -0.009 0.000 2.119 355 Q HA -0.190 4.199 4.340 0.082 0.000 0.201 355 Q C 2.119 178.096 176.000 -0.039 0.000 0.972 355 Q CA 1.331 57.150 55.803 0.026 0.000 0.847 355 Q CB -0.423 28.365 28.738 0.084 0.000 0.903 355 Q HN 0.628 nan 8.270 nan 0.000 0.433 356 Q N 0.208 119.962 119.800 -0.076 0.000 2.124 356 Q HA -0.137 4.252 4.340 0.082 0.000 0.202 356 Q C 2.098 178.066 176.000 -0.053 0.000 0.977 356 Q CA 0.868 56.651 55.803 -0.034 0.000 0.850 356 Q CB -0.152 28.622 28.738 0.060 0.000 0.901 356 Q HN 0.188 nan 8.270 nan 0.000 0.429 357 L N 0.101 121.189 121.223 -0.226 0.000 2.017 357 L HA -0.186 4.203 4.340 0.082 0.000 0.208 357 L C 1.948 178.710 176.870 -0.181 0.000 1.073 357 L CA 1.780 56.504 54.840 -0.193 0.000 0.745 357 L CB -0.327 41.396 42.059 -0.560 0.000 0.894 357 L HN 0.214 nan 8.230 nan 0.000 0.432 358 M N -1.056 118.443 119.600 -0.169 0.000 2.229 358 M HA -0.127 4.402 4.480 0.082 0.000 0.264 358 M C 2.287 178.518 176.300 -0.116 0.000 1.063 358 M CA 1.387 56.621 55.300 -0.110 0.000 1.114 358 M CB -1.417 31.180 32.600 -0.006 0.000 1.387 358 M HN 0.397 nan 8.290 nan 0.000 0.420 359 Q N 1.101 120.842 119.800 -0.100 0.000 2.079 359 Q HA -0.096 4.293 4.340 0.082 0.000 0.200 359 Q C 1.860 177.748 176.000 -0.187 0.000 0.974 359 Q CA 1.799 57.539 55.803 -0.105 0.000 0.840 359 Q CB -0.102 28.598 28.738 -0.063 0.000 0.898 359 Q HN 0.452 nan 8.270 nan 0.000 0.430 360 K N -0.398 119.848 120.400 -0.257 0.000 2.148 360 K HA -0.047 4.322 4.320 0.082 0.000 0.204 360 K C 2.044 178.238 176.600 -0.677 0.000 1.050 360 K CA 1.196 57.195 56.287 -0.479 0.000 0.942 360 K CB -0.099 32.029 32.500 -0.619 0.000 0.724 360 K HN 0.269 nan 8.250 nan 0.000 0.446 361 I N 0.715 120.982 120.570 -0.505 0.000 2.202 361 I HA -0.281 3.938 4.170 0.082 0.000 0.242 361 I C 2.417 178.318 176.117 -0.360 0.000 1.091 361 I CA 1.247 62.305 61.300 -0.403 0.000 1.368 361 I CB -0.188 37.664 38.000 -0.247 0.000 1.058 361 I HN 0.122 nan 8.210 nan 0.000 0.410 362 R N 0.597 120.945 120.500 -0.253 0.000 2.083 362 R HA -0.192 4.197 4.340 0.082 0.000 0.237 362 R C 1.948 178.146 176.300 -0.170 0.000 1.137 362 R CA 1.809 57.797 56.100 -0.187 0.000 0.951 362 R CB -0.432 29.798 30.300 -0.117 0.000 0.851 362 R HN 0.369 nan 8.270 nan 0.000 0.434 363 D N -0.065 120.229 120.400 -0.178 0.000 2.117 363 D HA -0.125 4.565 4.640 0.082 0.000 0.197 363 D C 2.057 178.284 176.300 -0.122 0.000 0.987 363 D CA 1.845 55.761 54.000 -0.140 0.000 0.829 363 D CB -0.231 40.480 40.800 -0.148 0.000 0.961 363 D HN 0.227 nan 8.370 nan 0.000 0.460 364 S N 0.040 115.644 115.700 -0.160 0.000 2.387 364 S HA -0.058 4.461 4.470 0.082 0.000 0.226 364 S C 2.245 176.859 174.600 0.023 0.000 1.026 364 S CA 0.358 58.531 58.200 -0.045 0.000 0.972 364 S CB -0.519 62.670 63.200 -0.017 0.000 0.814 364 S HN 0.221 nan 8.310 nan 0.000 0.477 365 I N 2.112 122.641 120.570 -0.069 0.000 2.252 365 I HA -0.138 4.081 4.170 0.082 0.000 0.245 365 I C 2.619 178.710 176.117 -0.042 0.000 1.102 365 I CA 1.301 62.562 61.300 -0.067 0.000 1.385 365 I CB -0.530 37.338 38.000 -0.220 0.000 1.064 365 I HN 0.302 nan 8.210 nan 0.000 0.414 366 S N 0.201 115.861 115.700 -0.065 0.000 2.419 366 S HA -0.171 4.348 4.470 0.082 0.000 0.233 366 S C 1.596 176.180 174.600 -0.027 0.000 1.016 366 S CA 1.190 59.360 58.200 -0.049 0.000 0.974 366 S CB -0.304 62.861 63.200 -0.057 0.000 0.786 366 S HN 0.505 nan 8.310 nan 0.000 0.492 367 E N 0.181 120.370 120.200 -0.018 0.000 2.474 367 E HA 0.251 4.650 4.350 0.082 0.000 0.195 367 E C 1.036 177.648 176.600 0.019 0.000 1.039 367 E CA 0.110 56.508 56.400 -0.003 0.000 0.881 367 E CB 0.144 29.839 29.700 -0.008 0.000 0.970 367 E HN 0.482 nan 8.360 nan 0.000 0.486 368 G N 2.926 111.746 108.800 0.034 0.000 2.249 368 G HA2 -0.349 3.660 3.960 0.082 0.000 0.273 368 G HA3 -0.349 3.660 3.960 0.082 0.000 0.273 368 G C 0.534 175.481 174.900 0.079 0.000 1.036 368 G CA 0.768 45.902 45.100 0.057 0.000 0.824 368 G HN 0.423 nan 8.290 nan 0.000 0.504 369 R N -1.475 119.088 120.500 0.104 0.000 2.659 369 R HA 0.477 4.866 4.340 0.082 0.000 0.418 369 R C 1.352 177.772 176.300 0.200 0.000 1.076 369 R CA -0.288 55.882 56.100 0.117 0.000 1.093 369 R CB -0.089 30.263 30.300 0.085 0.000 1.400 369 R HN 0.217 nan 8.270 nan 0.000 0.583 370 F N 1.792 121.781 119.950 0.066 0.000 2.186 370 F HA 0.013 4.589 4.527 0.082 0.000 0.299 370 F C 1.715 177.605 175.800 0.150 0.000 1.090 370 F CA 1.292 59.363 58.000 0.118 0.000 1.307 370 F CB 0.060 39.101 39.000 0.068 0.000 1.019 370 F HN 0.011 nan 8.300 nan 0.000 0.489 371 S N -0.034 115.620 115.700 -0.077 0.000 2.368 371 S HA -0.263 4.256 4.470 0.082 0.000 0.225 371 S C 1.865 176.384 174.600 -0.134 0.000 1.030 371 S CA 1.418 59.496 58.200 -0.203 0.000 0.999 371 S CB -0.442 62.714 63.200 -0.072 0.000 0.844 371 S HN 0.481 nan 8.310 nan 0.000 0.459 372 Q N 0.826 120.613 119.800 -0.022 0.000 2.046 372 Q HA -0.067 4.322 4.340 0.082 0.000 0.200 372 Q C 1.780 177.790 176.000 0.017 0.000 0.975 372 Q CA 1.515 57.319 55.803 0.003 0.000 0.836 372 Q CB -0.638 28.124 28.738 0.040 0.000 0.896 372 Q HN 0.505 nan 8.270 nan 0.000 0.428 373 F N 0.449 120.369 119.950 -0.050 0.000 2.120 373 F HA -0.221 4.354 4.527 0.081 0.000 0.300 373 F C 1.880 177.654 175.800 -0.044 0.000 1.095 373 F CA 1.875 59.864 58.000 -0.019 0.000 1.249 373 F CB -0.787 38.245 39.000 0.053 0.000 0.995 373 F HN 0.149 nan 8.300 nan 0.000 0.480 374 A N 0.097 122.703 122.820 -0.356 0.000 1.902 374 A HA -0.196 4.173 4.320 0.082 0.000 0.217 374 A C 2.268 179.725 177.584 -0.212 0.000 1.181 374 A CA 2.645 54.426 52.037 -0.427 0.000 0.623 374 A CB -1.644 17.024 19.000 -0.553 0.000 0.818 374 A HN 0.568 nan 8.150 nan 0.000 0.443 375 Q N -0.132 119.573 119.800 -0.157 0.000 2.050 375 Q HA -0.267 4.122 4.340 0.082 0.000 0.202 375 Q C 1.752 177.720 176.000 -0.054 0.000 0.980 375 Q CA 2.055 57.817 55.803 -0.069 0.000 0.840 375 Q CB -1.051 27.656 28.738 -0.052 0.000 0.898 375 Q HN 0.736 nan 8.270 nan 0.000 0.424 376 D N -0.594 119.753 120.400 -0.089 0.000 2.097 376 D HA -0.094 4.595 4.640 0.082 0.000 0.195 376 D C 1.603 177.849 176.300 -0.090 0.000 0.989 376 D CA 1.361 55.318 54.000 -0.073 0.000 0.827 376 D CB -0.585 40.182 40.800 -0.056 0.000 0.966 376 D HN 0.557 nan 8.370 nan 0.000 0.456 377 F N 1.984 121.706 119.950 -0.379 0.000 2.065 377 F HA -0.200 4.375 4.527 0.081 0.000 0.298 377 F C 2.334 178.102 175.800 -0.054 0.000 1.112 377 F CA 1.639 59.447 58.000 -0.320 0.000 1.212 377 F CB -0.104 38.507 39.000 -0.648 0.000 0.975 377 F HN -0.203 nan 8.300 nan 0.000 0.476 378 R N 0.194 120.664 120.500 -0.050 0.000 2.081 378 R HA -0.121 4.268 4.340 0.082 0.000 0.235 378 R C 2.506 178.909 176.300 0.171 0.000 1.131 378 R CA 1.229 57.398 56.100 0.116 0.000 0.960 378 R CB -0.956 29.528 30.300 0.308 0.000 0.856 378 R HN 0.441 nan 8.270 nan 0.000 0.436 379 A N 1.341 124.205 122.820 0.074 0.000 1.883 379 A HA -0.253 4.116 4.320 0.082 0.000 0.217 379 A C 2.143 179.750 177.584 0.039 0.000 1.186 379 A CA 1.884 53.963 52.037 0.071 0.000 0.624 379 A CB -0.442 18.576 19.000 0.030 0.000 0.822 379 A HN 0.290 nan 8.150 nan 0.000 0.444 380 R N -2.598 117.885 120.500 -0.028 0.000 2.080 380 R HA -0.067 4.322 4.340 0.082 0.000 0.222 380 R C 2.030 178.273 176.300 -0.094 0.000 1.107 380 R CA 1.401 57.482 56.100 -0.032 0.000 0.980 380 R CB -0.662 29.639 30.300 0.001 0.000 0.879 380 R HN 0.473 nan 8.270 nan 0.000 0.439 381 Y N 0.007 120.040 120.300 -0.446 0.000 2.207 381 Y HA -0.139 4.459 4.550 0.080 0.000 0.287 381 Y C 0.859 176.399 175.900 -0.601 0.000 1.156 381 Y CA 1.807 59.503 58.100 -0.672 0.000 1.182 381 Y CB 0.016 37.675 38.460 -1.336 0.000 0.979 381 Y HN 0.079 nan 8.280 nan 0.000 0.521 382 F N -0.534 119.392 119.950 -0.040 0.000 2.727 382 F HA 0.372 4.949 4.527 0.084 0.000 0.302 382 F C 1.385 177.151 175.800 -0.056 0.000 1.097 382 F CA -0.032 57.940 58.000 -0.047 0.000 1.330 382 F CB -0.858 38.149 39.000 0.012 0.000 1.084 382 F HN -0.013 nan 8.300 nan 0.000 0.578 383 A N 0.000 122.852 122.820 0.053 0.000 2.254 383 A HA 0.000 4.369 4.320 0.082 0.000 0.244 383 A CA 0.000 52.056 52.037 0.031 0.000 0.836 383 A CB 0.000 19.009 19.000 0.015 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486