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 3foa_1_C DATA FIRST_RESID 23 DATA SEQUENCE STGTAALAGK FQWGPAFQIK QVTNEVDLVN TFGQPTAETA DYFMSAMNFL DATA SEQUENCE QYGNDLRVVR AVDRDTAKNS SPIAGNIEYT ISTPGSNYAV GDKITVKYVS DATA SEQUENCE DDIETEGKIT EVDADGKIKK INIPTAKIIA KAKEVGEYPT LGSNWTAEIS DATA SEQUENCE SSSSGLAAVI TLGKIITDSG ILLAEIENAE AAMTAVDFQA NLKKYGIPGV DATA SEQUENCE VALYPGELGD KIEIEIVSKA DYAKGASALL PIYPGGGTRA STAKAVFGYG DATA SEQUENCE PQTDSQYAII VRRNDAIVQS VVLSTKRGGK DIYDSNIYID DFFAKGGSEY DATA SEQUENCE IFATAQNWPE GFSGILTLSG GLSSNAEVTA GDLMEAWDFF ADRESVDVQL DATA SEQUENCE FIAGSCAGES LETASTVQKH VVSIGDVRQD CLVLCSPPRE TVVGIPVTRA DATA SEQUENCE VDNLVNWRTA AGSYTDNNFN ISSTYAAIDG NYKYQYDKYN DVNRWVPLAA DATA SEQUENCE DIAGLCARTD NVXXXXXXXX XXXRGQILNV IKLAIETP 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.632 174.600 0.054 0.000 1.055 23 S CA 0.000 58.232 58.200 0.053 0.000 1.107 23 S CB 0.000 63.230 63.200 0.051 0.000 0.593 24 T N 0.894 115.478 114.554 0.050 0.000 2.747 24 T HA 0.525 4.875 4.350 0.000 0.000 0.301 24 T C 0.652 175.387 174.700 0.058 0.000 0.952 24 T CA 1.095 63.224 62.100 0.049 0.000 0.983 24 T CB -0.745 68.146 68.868 0.038 0.000 0.930 24 T HN 2.333 nan 8.240 nan 0.000 0.494 25 G N 3.989 112.830 108.800 0.068 0.000 2.643 25 G HA2 -0.182 3.778 3.960 0.000 0.000 0.280 25 G HA3 -0.182 3.778 3.960 0.000 0.000 0.280 25 G C -0.080 174.892 174.900 0.119 0.000 1.120 25 G CA -0.207 44.947 45.100 0.089 0.000 1.165 25 G HN 0.879 nan 8.290 nan 0.000 0.540 26 T N 0.938 115.552 114.554 0.099 0.000 2.771 26 T HA 0.719 5.069 4.350 0.000 0.000 0.291 26 T C 0.935 175.659 174.700 0.041 0.000 0.954 26 T CA 0.558 62.707 62.100 0.082 0.000 1.045 26 T CB 1.702 70.605 68.868 0.059 0.000 0.917 26 T HN 1.412 nan 8.240 nan 0.000 0.484 27 A N 2.565 125.386 122.820 0.001 0.000 2.274 27 A HA 0.937 5.257 4.320 0.000 0.000 0.297 27 A C -0.016 177.357 177.584 -0.351 0.000 1.191 27 A CA -0.707 51.210 52.037 -0.200 0.000 0.889 27 A CB 0.484 19.151 19.000 -0.555 0.000 1.294 27 A HN 1.182 nan 8.150 nan 0.000 0.506 28 A N -0.644 121.868 122.820 -0.513 0.000 2.511 28 A HA 0.543 4.863 4.320 0.000 0.000 0.292 28 A C -1.438 175.856 177.584 -0.482 0.000 1.045 28 A CA -0.207 51.396 52.037 -0.723 0.000 0.870 28 A CB 0.612 18.778 19.000 -1.390 0.000 1.361 28 A HN 1.886 nan 8.150 nan 0.000 0.396 29 L N 2.218 123.225 121.223 -0.361 0.000 2.408 29 L HA 0.989 5.329 4.340 0.000 0.000 0.268 29 L C -0.362 176.202 176.870 -0.511 0.000 0.986 29 L CA -0.019 54.703 54.840 -0.197 0.000 0.820 29 L CB 1.991 43.956 42.059 -0.156 0.000 1.303 29 L HN 1.437 nan 8.230 nan 0.000 0.411 30 A N 2.927 125.060 122.820 -1.145 0.000 2.398 30 A HA 0.995 5.315 4.320 0.000 0.000 0.301 30 A C -0.367 176.725 177.584 -0.820 0.000 1.041 30 A CA 0.205 51.503 52.037 -1.232 0.000 0.711 30 A CB 1.394 19.171 19.000 -2.039 0.000 1.240 30 A HN 1.325 nan 8.150 nan 0.000 0.420 31 G N 0.874 109.187 108.800 -0.811 0.000 2.342 31 G HA2 0.470 4.430 3.960 0.000 0.000 0.297 31 G HA3 0.470 4.430 3.960 0.000 0.000 0.297 31 G C -1.605 172.306 174.900 -1.649 0.000 1.313 31 G CA -0.972 43.424 45.100 -1.175 0.000 0.830 31 G HN 0.727 nan 8.290 nan 0.000 0.506 32 K N 0.041 119.270 120.400 -1.952 0.000 2.276 32 K HA 0.613 4.933 4.320 0.000 0.000 0.283 32 K C -1.184 174.740 176.600 -1.126 0.000 1.044 32 K CA 0.080 55.656 56.287 -1.185 0.000 0.944 32 K CB 1.140 33.187 32.500 -0.755 0.000 1.012 32 K HN 0.321 nan 8.250 nan 0.000 0.472 33 F N 0.195 120.017 119.950 -0.213 0.000 2.620 33 F HA 0.175 4.702 4.527 -0.000 0.000 0.320 33 F C 1.577 177.402 175.800 0.042 0.000 1.069 33 F CA -1.007 56.975 58.000 -0.029 0.000 0.953 33 F CB 1.905 40.941 39.000 0.061 0.000 1.322 33 F HN 0.491 nan 8.300 nan 0.000 0.479 34 Q N 0.739 120.753 119.800 0.357 0.000 2.435 34 Q HA -0.027 4.313 4.340 0.000 0.000 0.207 34 Q C -0.828 175.397 176.000 0.374 0.000 0.956 34 Q CA 0.802 56.758 55.803 0.255 0.000 0.917 34 Q CB 0.541 29.385 28.738 0.177 0.000 0.997 34 Q HN 0.578 nan 8.270 nan 0.000 0.497 35 W N -0.520 120.813 121.300 0.056 0.000 3.439 35 W HA 0.411 5.071 4.660 -0.000 0.000 0.323 35 W C -0.377 175.975 176.519 -0.277 0.000 1.174 35 W CA -0.649 56.632 57.345 -0.107 0.000 1.224 35 W CB 1.215 30.567 29.460 -0.180 0.000 1.348 35 W HN 0.033 nan 8.180 nan 0.000 0.498 36 G N 4.335 112.608 108.800 -0.880 0.000 2.631 36 G HA2 0.286 4.246 3.960 0.000 0.000 0.271 36 G HA3 0.286 4.246 3.960 0.000 0.000 0.271 36 G C -2.449 171.294 174.900 -1.928 0.000 1.302 36 G CA -0.761 43.761 45.100 -0.962 0.000 1.002 36 G HN 0.226 nan 8.290 nan 0.000 0.519 37 P HA 0.266 nan 4.420 nan 0.000 0.268 37 P C -0.537 176.614 177.300 -0.249 0.000 1.205 37 P CA 0.115 62.953 63.100 -0.436 0.000 0.771 37 P CB 1.018 32.616 31.700 -0.170 0.000 0.858 38 A N 3.865 126.589 122.820 -0.161 0.000 2.301 38 A HA 0.518 4.838 4.320 0.000 0.000 0.298 38 A C -0.012 177.516 177.584 -0.093 0.000 1.185 38 A CA -0.671 51.255 52.037 -0.185 0.000 0.830 38 A CB -0.722 18.238 19.000 -0.068 0.000 1.112 38 A HN 0.506 nan 8.150 nan 0.000 0.508 39 F N -0.274 119.491 119.950 -0.308 0.000 2.866 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.254 39 F C 0.568 176.104 175.800 -0.441 0.000 1.009 39 F CA 1.453 59.128 58.000 -0.542 0.000 0.907 39 F CB -1.539 37.268 39.000 -0.321 0.000 0.859 39 F HN 0.733 nan 8.300 nan 0.000 0.842 40 Q N 0.351 119.990 119.800 -0.268 0.000 2.315 40 Q HA 0.470 4.810 4.340 0.000 0.000 0.273 40 Q C -0.012 175.910 176.000 -0.130 0.000 1.053 40 Q CA -1.009 54.733 55.803 -0.102 0.000 0.817 40 Q CB 2.224 30.950 28.738 -0.019 0.000 1.326 40 Q HN 0.178 nan 8.270 nan 0.000 0.423 41 I N 2.205 122.745 120.570 -0.049 0.000 2.528 41 I HA 0.051 4.221 4.170 0.000 0.000 0.276 41 I C 0.298 176.426 176.117 0.018 0.000 1.056 41 I CA -0.120 61.155 61.300 -0.041 0.000 1.858 41 I CB -1.279 36.712 38.000 -0.015 0.000 1.448 41 I HN 0.327 nan 8.210 nan 0.000 0.776 42 K N 3.092 123.507 120.400 0.025 0.000 2.401 42 K HA 0.020 4.340 4.320 0.000 0.000 0.278 42 K C 0.060 176.695 176.600 0.057 0.000 1.018 42 K CA 0.248 56.573 56.287 0.063 0.000 0.981 42 K CB 0.522 33.093 32.500 0.118 0.000 0.933 42 K HN 0.427 nan 8.250 nan 0.000 0.477 43 Q N 2.419 122.250 119.800 0.052 0.000 2.230 43 Q HA 0.508 4.848 4.340 0.000 0.000 0.248 43 Q C -1.245 174.777 176.000 0.035 0.000 0.915 43 Q CA -0.887 54.937 55.803 0.036 0.000 0.900 43 Q CB 1.241 30.004 28.738 0.041 0.000 1.229 43 Q HN 0.407 nan 8.270 nan 0.000 0.439 44 V N 2.573 122.491 119.914 0.007 0.000 2.789 44 V HA 0.336 4.456 4.120 0.000 0.000 0.311 44 V C -0.113 175.993 176.094 0.021 0.000 1.073 44 V CA -0.403 61.901 62.300 0.007 0.000 0.921 44 V CB 2.136 33.923 31.823 -0.059 0.000 1.009 44 V HN 1.058 nan 8.190 nan 0.000 0.426 45 T N 1.627 116.200 114.554 0.032 0.000 3.057 45 T HA 0.199 4.549 4.350 0.000 0.000 0.254 45 T C 0.515 175.240 174.700 0.042 0.000 0.965 45 T CA 0.038 62.166 62.100 0.046 0.000 0.978 45 T CB 0.256 69.149 68.868 0.042 0.000 1.169 45 T HN 0.598 nan 8.240 nan 0.000 0.489 46 N N 1.151 119.869 118.700 0.030 0.000 2.502 46 N HA 0.325 5.065 4.740 0.000 0.000 0.280 46 N C 0.811 176.332 175.510 0.019 0.000 1.223 46 N CA -0.561 52.506 53.050 0.028 0.000 0.966 46 N CB 1.366 39.872 38.487 0.032 0.000 1.203 46 N HN 0.125 nan 8.380 nan 0.000 0.565 47 E N 0.120 120.339 120.200 0.032 0.000 2.021 47 E HA -0.047 4.303 4.350 0.000 0.000 0.189 47 E C 1.009 177.655 176.600 0.077 0.000 0.980 47 E CA 0.738 57.163 56.400 0.042 0.000 0.803 47 E CB 0.077 29.834 29.700 0.095 0.000 0.766 47 E HN 0.284 nan 8.360 nan 0.000 0.449 48 V N 1.811 121.783 119.914 0.096 0.000 3.140 48 V HA -0.183 3.937 4.120 0.000 0.000 0.269 48 V C 1.596 177.733 176.094 0.073 0.000 1.149 48 V CA 1.867 64.231 62.300 0.105 0.000 1.162 48 V CB -0.529 31.344 31.823 0.085 0.000 0.756 48 V HN 0.266 nan 8.190 nan 0.000 0.523 49 D N -0.297 120.134 120.400 0.051 0.000 2.355 49 D HA 0.010 4.650 4.640 0.000 0.000 0.206 49 D C 1.760 178.084 176.300 0.039 0.000 1.010 49 D CA 0.401 54.425 54.000 0.039 0.000 0.875 49 D CB 0.308 41.129 40.800 0.034 0.000 0.966 49 D HN 0.458 nan 8.370 nan 0.000 0.512 50 L N -1.427 119.807 121.223 0.018 0.000 2.202 50 L HA 0.182 4.522 4.340 0.000 0.000 0.205 50 L C 1.942 178.851 176.870 0.065 0.000 1.083 50 L CA 0.882 55.735 54.840 0.022 0.000 0.790 50 L CB -1.059 40.881 42.059 -0.198 0.000 0.942 50 L HN -0.180 nan 8.230 nan 0.000 0.452 51 V N 1.543 121.503 119.914 0.076 0.000 2.255 51 V HA -0.314 3.806 4.120 0.000 0.000 0.247 51 V C 2.699 178.832 176.094 0.065 0.000 1.051 51 V CA 2.173 64.570 62.300 0.161 0.000 1.018 51 V CB -1.270 30.676 31.823 0.205 0.000 0.641 51 V HN 0.686 nan 8.190 nan 0.000 0.445 52 N N 0.130 118.854 118.700 0.040 0.000 2.133 52 N HA -0.211 4.529 4.740 0.000 0.000 0.193 52 N C 1.567 177.052 175.510 -0.043 0.000 1.012 52 N CA 2.680 55.727 53.050 -0.005 0.000 0.871 52 N CB -0.223 38.270 38.487 0.009 0.000 1.011 52 N HN 0.587 nan 8.380 nan 0.000 0.435 53 T N -1.990 112.520 114.554 -0.074 0.000 3.056 53 T HA 0.270 4.620 4.350 0.000 0.000 0.243 53 T C -0.268 174.026 174.700 -0.677 0.000 0.995 53 T CA 0.162 62.046 62.100 -0.360 0.000 1.091 53 T CB 0.304 68.870 68.868 -0.503 0.000 0.990 53 T HN 0.181 nan 8.240 nan 0.000 0.464 54 F N 0.662 120.533 119.950 -0.132 0.000 2.659 54 F HA 0.693 5.221 4.527 0.000 0.000 0.342 54 F C 0.904 176.695 175.800 -0.016 0.000 1.168 54 F CA -1.404 56.517 58.000 -0.131 0.000 1.003 54 F CB 1.399 40.072 39.000 -0.545 0.000 1.267 54 F HN 0.081 nan 8.300 nan 0.000 0.463 55 G N 1.969 110.921 108.800 0.253 0.000 2.765 55 G HA2 0.155 4.115 3.960 0.000 0.000 0.218 55 G HA3 0.155 4.115 3.960 0.000 0.000 0.218 55 G C 0.167 175.120 174.900 0.089 0.000 1.271 55 G CA 0.100 45.302 45.100 0.169 0.000 0.865 55 G HN 0.432 nan 8.290 nan 0.000 0.604 56 Q N 0.628 120.290 119.800 -0.230 0.000 2.241 56 Q HA 0.411 4.751 4.340 0.000 0.000 0.262 56 Q C -2.809 172.856 176.000 -0.559 0.000 1.014 56 Q CA -1.988 53.389 55.803 -0.710 0.000 0.885 56 Q CB 2.013 30.495 28.738 -0.427 0.000 1.311 56 Q HN 0.104 nan 8.270 nan 0.000 0.461 57 P HA 0.095 nan 4.420 nan 0.000 0.295 57 P C -0.414 176.803 177.300 -0.139 0.000 1.354 57 P CA -0.237 62.671 63.100 -0.320 0.000 0.814 57 P CB 0.803 32.278 31.700 -0.375 0.000 0.935 58 T N 0.128 114.663 114.554 -0.032 0.000 2.816 58 T HA 0.421 4.771 4.350 0.000 0.000 0.282 58 T C 1.334 176.040 174.700 0.009 0.000 0.993 58 T CA -0.284 61.808 62.100 -0.014 0.000 0.994 58 T CB 0.682 69.557 68.868 0.011 0.000 1.025 58 T HN 0.203 nan 8.240 nan 0.000 0.529 59 A N 0.156 122.980 122.820 0.006 0.000 2.248 59 A HA 0.112 4.432 4.320 0.000 0.000 0.210 59 A C 1.884 179.489 177.584 0.035 0.000 1.174 59 A CA 1.341 53.387 52.037 0.015 0.000 0.750 59 A CB -0.887 18.117 19.000 0.007 0.000 0.780 59 A HN 0.932 nan 8.150 nan 0.000 0.478 60 E N -2.052 118.174 120.200 0.043 0.000 2.511 60 E HA 0.099 4.449 4.350 0.000 0.000 0.209 60 E C 1.324 177.978 176.600 0.090 0.000 0.986 60 E CA 1.019 57.452 56.400 0.054 0.000 0.974 60 E CB 0.362 30.078 29.700 0.027 0.000 1.030 60 E HN 0.316 nan 8.360 nan 0.000 0.490 61 T N -0.825 113.796 114.554 0.111 0.000 2.999 61 T HA 0.295 4.645 4.350 0.000 0.000 0.247 61 T C 1.658 176.531 174.700 0.288 0.000 1.012 61 T CA 0.403 62.614 62.100 0.185 0.000 1.048 61 T CB 0.037 69.008 68.868 0.173 0.000 1.020 61 T HN 0.218 nan 8.240 nan 0.000 0.478 62 A N 2.819 125.740 122.820 0.168 0.000 1.879 62 A HA -0.360 3.960 4.320 0.000 0.000 0.234 62 A C 1.800 179.491 177.584 0.179 0.000 1.742 62 A CA 2.641 54.760 52.037 0.137 0.000 0.775 62 A CB -1.270 17.767 19.000 0.060 0.000 0.849 62 A HN 0.416 nan 8.150 nan 0.000 0.487 63 D N -2.092 118.351 120.400 0.073 0.000 2.354 63 D HA -0.084 4.556 4.640 0.000 0.000 0.216 63 D C 1.416 177.624 176.300 -0.153 0.000 0.970 63 D CA 1.207 55.167 54.000 -0.067 0.000 0.905 63 D CB -0.243 40.436 40.800 -0.200 0.000 0.903 63 D HN 0.755 nan 8.370 nan 0.000 0.508 64 Y N -1.558 118.815 120.300 0.122 0.000 2.441 64 Y HA 0.106 4.656 4.550 0.000 0.000 0.288 64 Y C 1.924 178.029 175.900 0.341 0.000 1.118 64 Y CA -0.244 57.935 58.100 0.132 0.000 1.215 64 Y CB -0.498 37.847 38.460 -0.193 0.000 1.118 64 Y HN -0.116 nan 8.280 nan 0.000 0.547 65 F N 0.476 120.666 119.950 0.400 0.000 2.026 65 F HA -0.328 4.199 4.527 -0.000 0.000 0.296 65 F C 2.307 178.190 175.800 0.138 0.000 1.133 65 F CA 1.766 59.901 58.000 0.225 0.000 1.188 65 F CB -0.331 38.735 39.000 0.109 0.000 0.968 65 F HN -0.015 nan 8.300 nan 0.000 0.476 66 M N 0.274 120.142 119.600 0.447 0.000 2.088 66 M HA -0.289 4.191 4.480 0.000 0.000 0.256 66 M C 2.549 178.954 176.300 0.174 0.000 1.071 66 M CA 2.041 57.516 55.300 0.292 0.000 1.097 66 M CB -1.246 31.480 32.600 0.211 0.000 1.315 66 M HN 0.235 nan 8.290 nan 0.000 0.406 67 S N -0.561 115.223 115.700 0.139 0.000 2.390 67 S HA -0.286 4.184 4.470 0.000 0.000 0.234 67 S C 1.868 176.522 174.600 0.090 0.000 1.063 67 S CA 1.876 60.137 58.200 0.100 0.000 1.108 67 S CB -0.600 62.638 63.200 0.062 0.000 0.975 67 S HN 0.606 nan 8.310 nan 0.000 0.442 68 A N 1.352 124.183 122.820 0.019 0.000 1.825 68 A HA -0.030 4.290 4.320 0.000 0.000 0.214 68 A C 2.160 179.767 177.584 0.038 0.000 1.206 68 A CA 1.758 53.756 52.037 -0.064 0.000 0.609 68 A CB -1.058 17.790 19.000 -0.253 0.000 0.851 68 A HN 0.590 nan 8.150 nan 0.000 0.445 69 M N 0.860 120.409 119.600 -0.084 0.000 2.471 69 M HA -0.285 4.195 4.480 0.000 0.000 0.260 69 M C 1.609 177.984 176.300 0.126 0.000 1.065 69 M CA 2.729 58.032 55.300 0.005 0.000 1.075 69 M CB -0.708 31.959 32.600 0.113 0.000 1.258 69 M HN 0.683 nan 8.290 nan 0.000 0.457 70 N N 0.372 119.174 118.700 0.169 0.000 2.567 70 N HA -0.138 4.602 4.740 0.000 0.000 0.195 70 N C 0.897 176.577 175.510 0.284 0.000 1.242 70 N CA 0.737 53.893 53.050 0.177 0.000 0.884 70 N CB -0.958 37.635 38.487 0.177 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.207 120.238 119.950 0.134 0.000 2.453 71 F HA 0.255 4.782 4.527 0.000 0.000 0.284 71 F C 1.518 177.417 175.800 0.165 0.000 1.065 71 F CA -0.153 57.972 58.000 0.208 0.000 1.411 71 F CB 0.053 39.114 39.000 0.102 0.000 1.131 71 F HN -0.112 nan 8.300 nan 0.000 0.582 72 L N 1.579 122.965 121.223 0.273 0.000 2.651 72 L HA -0.162 4.178 4.340 0.000 0.000 0.236 72 L C 1.999 178.798 176.870 -0.118 0.000 1.173 72 L CA 1.141 56.030 54.840 0.081 0.000 0.843 72 L CB -1.553 40.578 42.059 0.120 0.000 0.964 72 L HN 0.420 nan 8.230 nan 0.000 0.454 73 Q N -0.848 118.830 119.800 -0.204 0.000 2.172 73 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 73 Q C 1.274 176.927 176.000 -0.579 0.000 0.964 73 Q CA 1.373 56.926 55.803 -0.418 0.000 0.855 73 Q CB -0.128 28.256 28.738 -0.589 0.000 0.918 73 Q HN 0.628 nan 8.270 nan 0.000 0.444 74 Y N -0.948 119.169 120.300 -0.305 0.000 2.584 74 Y HA 0.478 5.028 4.550 -0.000 0.000 0.254 74 Y C 1.047 176.673 175.900 -0.456 0.000 1.177 74 Y CA -0.525 57.383 58.100 -0.319 0.000 1.216 74 Y CB 0.548 38.827 38.460 -0.303 0.000 1.172 74 Y HN -0.121 nan 8.280 nan 0.000 0.529 75 G N 0.338 108.895 108.800 -0.405 0.000 2.379 75 G HA2 0.280 4.240 3.960 0.000 0.000 0.327 75 G HA3 0.280 4.240 3.960 0.000 0.000 0.327 75 G C -0.114 174.753 174.900 -0.053 0.000 1.145 75 G CA -0.507 44.331 45.100 -0.437 0.000 0.905 75 G HN 0.051 nan 8.290 nan 0.000 0.466 76 N N 0.745 119.474 118.700 0.048 0.000 2.335 76 N HA 0.028 4.768 4.740 0.000 0.000 0.197 76 N C 0.090 175.672 175.510 0.121 0.000 1.045 76 N CA 0.584 53.677 53.050 0.072 0.000 0.928 76 N CB 0.060 38.585 38.487 0.063 0.000 1.118 76 N HN 0.696 nan 8.380 nan 0.000 0.471 77 D N 0.280 120.776 120.400 0.160 0.000 2.481 77 D HA 0.433 5.073 4.640 0.000 0.000 0.244 77 D C -1.061 175.320 176.300 0.135 0.000 1.057 77 D CA -0.593 53.484 54.000 0.128 0.000 0.848 77 D CB 2.148 42.997 40.800 0.082 0.000 1.388 77 D HN 0.015 nan 8.370 nan 0.000 0.475 78 L N 1.710 122.958 121.223 0.042 0.000 2.409 78 L HA 0.523 4.863 4.340 0.000 0.000 0.272 78 L C -1.086 175.724 176.870 -0.100 0.000 0.980 78 L CA -0.458 54.315 54.840 -0.112 0.000 0.826 78 L CB 1.641 43.578 42.059 -0.203 0.000 1.268 78 L HN 0.317 nan 8.230 nan 0.000 0.407 79 R N 4.878 125.313 120.500 -0.108 0.000 2.295 79 R HA 0.681 5.021 4.340 0.000 0.000 0.324 79 R C -0.709 175.580 176.300 -0.018 0.000 0.968 79 R CA -0.596 55.504 56.100 -0.000 0.000 0.837 79 R CB 1.577 31.970 30.300 0.155 0.000 1.133 79 R HN 0.553 nan 8.270 nan 0.000 0.450 80 V N -0.310 119.563 119.914 -0.067 0.000 3.046 80 V HA 0.793 4.913 4.120 0.000 0.000 0.316 80 V C -0.578 175.438 176.094 -0.130 0.000 1.104 80 V CA -0.764 61.443 62.300 -0.156 0.000 1.006 80 V CB 2.586 34.133 31.823 -0.460 0.000 1.058 80 V HN 0.352 nan 8.190 nan 0.000 0.440 81 V N 3.178 122.961 119.914 -0.218 0.000 2.577 81 V HA 0.491 4.611 4.120 0.000 0.000 0.294 81 V C -0.067 175.770 176.094 -0.429 0.000 1.052 81 V CA -0.563 61.516 62.300 -0.368 0.000 0.891 81 V CB 1.487 32.986 31.823 -0.541 0.000 1.017 81 V HN 1.073 nan 8.190 nan 0.000 0.436 82 R N 3.515 123.813 120.500 -0.338 0.000 2.347 82 R HA 0.602 4.942 4.340 0.000 0.000 0.304 82 R C 0.127 175.976 176.300 -0.751 0.000 1.072 82 R CA -0.041 55.858 56.100 -0.335 0.000 0.980 82 R CB 1.041 31.311 30.300 -0.049 0.000 0.986 82 R HN 0.842 nan 8.270 nan 0.000 0.448 83 A N 5.000 127.371 122.820 -0.748 0.000 2.302 83 A HA 0.358 4.678 4.320 0.000 0.000 0.295 83 A C -0.491 176.784 177.584 -0.515 0.000 1.235 83 A CA -0.508 51.065 52.037 -0.773 0.000 0.876 83 A CB 0.993 19.663 19.000 -0.549 0.000 1.133 83 A HN 0.528 nan 8.150 nan 0.000 0.533 84 V N 2.479 122.128 119.914 -0.442 0.000 2.881 84 V HA 0.274 4.394 4.120 0.000 0.000 0.316 84 V C -0.077 176.045 176.094 0.047 0.000 1.070 84 V CA -0.570 61.654 62.300 -0.127 0.000 0.976 84 V CB 2.148 33.945 31.823 -0.043 0.000 1.038 84 V HN 1.057 nan 8.190 nan 0.000 0.446 85 D N 1.495 121.911 120.400 0.026 0.000 2.345 85 D HA 0.244 4.884 4.640 0.000 0.000 0.247 85 D C 0.839 177.184 176.300 0.075 0.000 1.108 85 D CA -0.146 53.884 54.000 0.050 0.000 0.894 85 D CB 1.149 41.960 40.800 0.017 0.000 1.203 85 D HN 0.417 nan 8.370 nan 0.000 0.430 86 R N 1.714 122.258 120.500 0.073 0.000 2.080 86 R HA 0.026 4.366 4.340 0.000 0.000 0.222 86 R C 0.967 177.267 176.300 0.001 0.000 1.107 86 R CA 1.292 57.411 56.100 0.033 0.000 0.980 86 R CB -0.029 30.254 30.300 -0.028 0.000 0.879 86 R HN 0.542 nan 8.270 nan 0.000 0.439 87 D N -1.084 119.317 120.400 0.001 0.000 2.224 87 D HA -0.077 4.563 4.640 0.000 0.000 0.205 87 D C 1.272 177.568 176.300 -0.008 0.000 0.965 87 D CA 1.844 55.839 54.000 -0.008 0.000 0.852 87 D CB 0.333 41.129 40.800 -0.005 0.000 0.947 87 D HN 0.478 nan 8.370 nan 0.000 0.494 88 T N -1.940 112.612 114.554 -0.003 0.000 3.056 88 T HA 0.335 4.685 4.350 0.000 0.000 0.243 88 T C 1.147 175.843 174.700 -0.006 0.000 0.995 88 T CA 0.161 62.258 62.100 -0.004 0.000 1.091 88 T CB -0.038 68.830 68.868 0.000 0.000 0.990 88 T HN 0.051 nan 8.240 nan 0.000 0.464 89 A N 2.828 125.646 122.820 -0.004 0.000 2.584 89 A HA 0.426 4.746 4.320 0.000 0.000 0.239 89 A C 0.149 177.721 177.584 -0.021 0.000 1.043 89 A CA 0.215 52.247 52.037 -0.008 0.000 0.756 89 A CB -0.049 18.945 19.000 -0.010 0.000 0.963 89 A HN 0.464 nan 8.150 nan 0.000 0.511 90 K N 2.014 122.403 120.400 -0.018 0.000 2.435 90 K HA 0.400 4.720 4.320 0.000 0.000 0.251 90 K C -1.268 175.314 176.600 -0.031 0.000 0.954 90 K CA -0.926 55.341 56.287 -0.033 0.000 0.820 90 K CB 1.677 34.166 32.500 -0.019 0.000 1.292 90 K HN 0.680 nan 8.250 nan 0.000 0.436 91 N N 0.033 118.696 118.700 -0.063 0.000 2.421 91 N HA 0.204 4.944 4.740 0.000 0.000 0.285 91 N C -0.908 174.595 175.510 -0.011 0.000 1.027 91 N CA -0.161 52.858 53.050 -0.052 0.000 0.918 91 N CB 1.068 39.482 38.487 -0.122 0.000 1.152 91 N HN 0.350 nan 8.380 nan 0.000 0.485 92 S N 0.759 116.485 115.700 0.043 0.000 2.643 92 S HA 0.141 4.611 4.470 0.000 0.000 0.310 92 S C 0.441 175.066 174.600 0.043 0.000 1.253 92 S CA -0.130 58.105 58.200 0.058 0.000 1.047 92 S CB -0.222 63.036 63.200 0.098 0.000 0.767 92 S HN 0.686 nan 8.310 nan 0.000 0.498 93 S N 2.212 117.942 115.700 0.051 0.000 2.720 93 S HA 0.685 5.155 4.470 0.000 0.000 0.287 93 S C -2.957 171.668 174.600 0.042 0.000 1.168 93 S CA -1.461 56.783 58.200 0.073 0.000 0.832 93 S CB 1.682 64.970 63.200 0.145 0.000 1.166 93 S HN 0.314 nan 8.310 nan 0.000 0.493 94 P HA 0.355 nan 4.420 nan 0.000 0.252 94 P C 1.016 178.282 177.300 -0.057 0.000 1.218 94 P CA -0.068 63.017 63.100 -0.024 0.000 0.807 94 P CB -0.143 31.508 31.700 -0.081 0.000 1.072 95 I N 0.187 120.728 120.570 -0.048 0.000 2.264 95 I HA -0.207 3.963 4.170 0.000 0.000 0.248 95 I C 1.795 177.834 176.117 -0.130 0.000 1.111 95 I CA 1.085 62.318 61.300 -0.113 0.000 1.382 95 I CB -1.460 36.523 38.000 -0.029 0.000 1.060 95 I HN -0.030 nan 8.210 nan 0.000 0.418 96 A N 0.485 123.276 122.820 -0.048 0.000 5.389 96 A HA -0.334 3.986 4.320 0.000 0.000 0.356 96 A C 1.781 179.325 177.584 -0.066 0.000 1.646 96 A CA 1.887 53.903 52.037 -0.036 0.000 0.770 96 A CB -1.914 17.075 19.000 -0.019 0.000 1.478 96 A HN 0.607 nan 8.150 nan 0.000 0.424 97 G N -0.214 108.553 108.800 -0.055 0.000 3.591 97 G HA2 0.409 4.369 3.960 0.000 0.000 0.282 97 G HA3 0.409 4.369 3.960 0.000 0.000 0.282 97 G C 0.260 175.095 174.900 -0.107 0.000 1.238 97 G CA 0.777 45.844 45.100 -0.055 0.000 0.993 97 G HN 0.785 nan 8.290 nan 0.000 0.542 98 N N -0.365 118.210 118.700 -0.207 0.000 2.255 98 N HA 0.348 5.088 4.740 0.000 0.000 0.260 98 N C -0.366 175.018 175.510 -0.210 0.000 1.288 98 N CA 0.123 52.990 53.050 -0.305 0.000 0.894 98 N CB 0.603 38.611 38.487 -0.797 0.000 1.033 98 N HN 0.179 nan 8.380 nan 0.000 0.477 99 I N 0.159 120.649 120.570 -0.133 0.000 2.534 99 I HA 0.147 4.317 4.170 0.000 0.000 0.288 99 I C -0.893 175.359 176.117 0.225 0.000 1.077 99 I CA -0.648 60.665 61.300 0.021 0.000 1.051 99 I CB 1.217 39.239 38.000 0.036 0.000 1.234 99 I HN 0.474 nan 8.210 nan 0.000 0.425 100 E N 7.023 127.295 120.200 0.120 0.000 2.568 100 E HA -0.010 4.340 4.350 0.000 0.000 0.262 100 E C -1.501 175.239 176.600 0.232 0.000 0.961 100 E CA 1.004 57.485 56.400 0.134 0.000 0.945 100 E CB 0.426 30.147 29.700 0.036 0.000 0.924 100 E HN 0.533 nan 8.360 nan 0.000 0.467 101 Y N -2.051 118.293 120.300 0.073 0.000 2.521 101 Y HA 0.392 4.941 4.550 -0.000 0.000 0.326 101 Y C -1.454 174.439 175.900 -0.012 0.000 1.176 101 Y CA -0.922 57.196 58.100 0.030 0.000 1.079 101 Y CB 1.036 39.521 38.460 0.042 0.000 1.341 101 Y HN 0.186 nan 8.280 nan 0.000 0.456 102 T N 4.780 119.401 114.554 0.112 0.000 2.949 102 T HA 0.418 4.768 4.350 0.000 0.000 0.300 102 T C -0.408 174.349 174.700 0.096 0.000 0.988 102 T CA -0.563 61.538 62.100 0.002 0.000 0.993 102 T CB 1.144 69.993 68.868 -0.031 0.000 0.984 102 T HN 0.729 nan 8.240 nan 0.000 0.442 103 I N 3.057 123.685 120.570 0.096 0.000 2.624 103 I HA -0.010 4.160 4.170 0.000 0.000 0.307 103 I C 1.597 177.730 176.117 0.027 0.000 1.191 103 I CA 0.001 61.342 61.300 0.068 0.000 1.708 103 I CB -0.154 37.878 38.000 0.053 0.000 1.521 103 I HN 0.700 nan 8.210 nan 0.000 0.805 104 S N 2.744 118.462 115.700 0.029 0.000 2.387 104 S HA -0.118 4.352 4.470 0.000 0.000 0.230 104 S C 0.886 175.496 174.600 0.016 0.000 1.035 104 S CA 1.388 59.600 58.200 0.020 0.000 1.014 104 S CB -0.029 63.187 63.200 0.026 0.000 0.836 104 S HN 0.675 nan 8.310 nan 0.000 0.466 105 T N 2.500 117.063 114.554 0.016 0.000 3.066 105 T HA 0.351 4.701 4.350 0.000 0.000 0.318 105 T C -3.031 171.676 174.700 0.012 0.000 0.979 105 T CA -1.203 60.908 62.100 0.019 0.000 1.025 105 T CB 1.880 70.766 68.868 0.029 0.000 1.002 105 T HN -0.106 nan 8.240 nan 0.000 0.453 106 P HA 0.231 nan 4.420 nan 0.000 0.264 106 P C 0.748 178.079 177.300 0.051 0.000 1.193 106 P CA 0.125 63.228 63.100 0.005 0.000 0.763 106 P CB 0.508 32.218 31.700 0.018 0.000 0.810 107 G N 2.176 111.018 108.800 0.070 0.000 2.468 107 G HA2 0.457 4.417 3.960 0.000 0.000 0.264 107 G HA3 0.457 4.417 3.960 0.000 0.000 0.264 107 G C -0.368 174.705 174.900 0.287 0.000 1.460 107 G CA -0.154 45.140 45.100 0.325 0.000 1.060 107 G HN 0.628 nan 8.290 nan 0.000 0.543 108 S N -2.569 113.311 115.700 0.300 0.000 2.618 108 S HA 0.414 4.884 4.470 0.000 0.000 0.277 108 S C 0.083 174.713 174.600 0.049 0.000 1.138 108 S CA -0.259 58.029 58.200 0.148 0.000 0.844 108 S CB 1.803 65.041 63.200 0.064 0.000 1.127 108 S HN 0.694 nan 8.310 nan 0.000 0.474 109 N N -0.472 118.243 118.700 0.025 0.000 2.681 109 N HA -0.169 4.571 4.740 0.000 0.000 0.250 109 N C -0.868 174.575 175.510 -0.111 0.000 1.133 109 N CA 1.177 54.197 53.050 -0.049 0.000 0.732 109 N CB -1.720 36.708 38.487 -0.100 0.000 1.107 109 N HN 0.703 nan 8.380 nan 0.000 0.559 110 Y N 0.194 120.498 120.300 0.007 0.000 2.289 110 Y HA 0.551 5.102 4.550 0.001 0.000 0.332 110 Y C 1.039 176.943 175.900 0.007 0.000 1.324 110 Y CA 0.246 58.350 58.100 0.007 0.000 1.478 110 Y CB 0.913 39.377 38.460 0.007 0.000 1.378 110 Y HN 0.164 nan 8.280 nan 0.000 0.558 111 A N -0.216 122.721 122.820 0.194 0.000 2.594 111 A HA 0.599 4.919 4.320 0.000 0.000 0.295 111 A C -1.386 176.251 177.584 0.087 0.000 1.071 111 A CA -0.834 51.266 52.037 0.105 0.000 0.685 111 A CB 0.428 19.465 19.000 0.062 0.000 1.285 111 A HN 0.432 nan 8.150 nan 0.000 0.405 112 V N 0.963 120.913 119.914 0.060 0.000 2.928 112 V HA 0.364 4.484 4.120 0.000 0.000 0.307 112 V C 1.609 177.727 176.094 0.039 0.000 1.105 112 V CA 1.730 64.057 62.300 0.044 0.000 1.223 112 V CB 0.549 32.395 31.823 0.037 0.000 0.930 112 V HN 2.450 nan 8.190 nan 0.000 0.499 113 G N 2.615 111.433 108.800 0.030 0.000 2.256 113 G HA2 -0.170 3.790 3.960 0.000 0.000 0.272 113 G HA3 -0.170 3.790 3.960 0.000 0.000 0.272 113 G C -0.343 174.576 174.900 0.031 0.000 1.076 113 G CA 0.061 45.175 45.100 0.023 0.000 0.882 113 G HN 0.750 nan 8.290 nan 0.000 0.497 114 D N 0.351 120.776 120.400 0.042 0.000 2.308 114 D HA 0.391 5.031 4.640 0.000 0.000 0.242 114 D C 0.640 176.962 176.300 0.037 0.000 1.059 114 D CA -0.260 53.776 54.000 0.060 0.000 0.830 114 D CB 1.043 41.917 40.800 0.123 0.000 1.161 114 D HN 0.272 nan 8.370 nan 0.000 0.494 115 K N 1.840 122.258 120.400 0.030 0.000 2.185 115 K HA 0.482 4.802 4.320 0.000 0.000 0.271 115 K C 0.152 176.759 176.600 0.012 0.000 1.013 115 K CA -0.423 55.871 56.287 0.013 0.000 0.943 115 K CB 1.484 33.990 32.500 0.011 0.000 0.998 115 K HN 0.358 nan 8.250 nan 0.000 0.468 116 I N 0.864 121.431 120.570 -0.005 0.000 2.603 116 I HA 0.257 4.427 4.170 0.000 0.000 0.300 116 I C -0.260 175.859 176.117 0.004 0.000 1.017 116 I CA -0.734 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.305 40.277 38.000 -0.047 0.000 1.279 116 I HN 0.445 nan 8.210 nan 0.000 0.437 117 T N 4.130 118.694 114.554 0.017 0.000 2.879 117 T HA 0.419 4.769 4.350 0.000 0.000 0.290 117 T C -0.538 174.194 174.700 0.054 0.000 0.993 117 T CA -0.449 61.671 62.100 0.034 0.000 0.975 117 T CB 1.852 70.740 68.868 0.034 0.000 0.981 117 T HN 0.185 nan 8.240 nan 0.000 0.439 118 V N 4.546 124.508 119.914 0.080 0.000 2.370 118 V HA 0.449 4.569 4.120 0.000 0.000 0.279 118 V C 0.079 176.267 176.094 0.156 0.000 1.029 118 V CA -0.765 61.615 62.300 0.134 0.000 0.870 118 V CB 1.028 32.953 31.823 0.169 0.000 0.984 118 V HN 0.715 nan 8.190 nan 0.000 0.451 119 K N 3.527 124.013 120.400 0.142 0.000 2.203 119 K HA 0.519 4.839 4.320 0.000 0.000 0.251 119 K C -1.339 175.301 176.600 0.068 0.000 0.944 119 K CA -0.882 55.461 56.287 0.093 0.000 0.829 119 K CB 2.062 34.587 32.500 0.042 0.000 1.125 119 K HN 0.581 nan 8.250 nan 0.000 0.430 120 Y N 2.577 122.733 120.300 -0.240 0.000 2.593 120 Y HA 0.167 4.716 4.550 -0.000 0.000 0.331 120 Y C -0.540 175.148 175.900 -0.354 0.000 0.986 120 Y CA -1.534 56.227 58.100 -0.565 0.000 1.262 120 Y CB -0.095 37.885 38.460 -0.800 0.000 1.098 120 Y HN 0.398 nan 8.280 nan 0.000 0.506 121 V N 4.679 124.420 119.914 -0.288 0.000 5.981 121 V HA -0.293 3.827 4.120 0.000 0.000 0.233 121 V C 0.834 176.808 176.094 -0.200 0.000 0.653 121 V CA 1.180 63.300 62.300 -0.299 0.000 0.677 121 V CB -2.464 29.058 31.823 -0.502 0.000 0.632 121 V HN 0.951 nan 8.190 nan 0.000 0.464 122 S N -0.228 115.407 115.700 -0.107 0.000 3.521 122 S HA -0.207 4.263 4.470 0.000 0.000 0.362 122 S C 0.119 174.677 174.600 -0.069 0.000 1.044 122 S CA 1.506 59.665 58.200 -0.069 0.000 1.091 122 S CB -0.595 62.566 63.200 -0.064 0.000 0.908 122 S HN 1.058 nan 8.310 nan 0.000 0.473 123 D N 0.870 121.227 120.400 -0.071 0.000 2.936 123 D HA 0.326 4.966 4.640 0.000 0.000 0.238 123 D C -1.112 175.188 176.300 0.000 0.000 1.248 123 D CA -0.562 53.408 54.000 -0.050 0.000 0.903 123 D CB 1.287 42.030 40.800 -0.096 0.000 1.544 123 D HN -0.043 nan 8.370 nan 0.000 0.543 124 D N 3.547 123.957 120.400 0.016 0.000 2.417 124 D HA 0.110 4.750 4.640 0.000 0.000 0.250 124 D C 1.188 177.528 176.300 0.067 0.000 1.166 124 D CA -0.100 53.925 54.000 0.042 0.000 0.881 124 D CB 1.258 42.077 40.800 0.031 0.000 1.164 124 D HN 0.313 nan 8.370 nan 0.000 0.467 125 I N 0.612 121.244 120.570 0.102 0.000 3.345 125 I HA 0.097 4.267 4.170 0.000 0.000 0.258 125 I C 0.679 176.858 176.117 0.104 0.000 1.134 125 I CA 0.354 61.733 61.300 0.132 0.000 1.457 125 I CB -0.338 37.803 38.000 0.233 0.000 1.425 125 I HN 0.264 nan 8.210 nan 0.000 0.461 126 E N 1.467 121.730 120.200 0.104 0.000 2.222 126 E HA 0.371 4.721 4.350 0.000 0.000 0.267 126 E C -0.063 176.567 176.600 0.049 0.000 0.884 126 E CA -0.157 56.284 56.400 0.068 0.000 0.764 126 E CB 1.399 31.139 29.700 0.067 0.000 1.169 126 E HN 0.232 nan 8.360 nan 0.000 0.413 127 T N 0.870 115.441 114.554 0.029 0.000 3.399 127 T HA 0.301 4.651 4.350 0.000 0.000 0.305 127 T C -0.029 174.674 174.700 0.006 0.000 0.983 127 T CA -0.487 61.624 62.100 0.020 0.000 0.967 127 T CB 0.072 68.952 68.868 0.020 0.000 1.186 127 T HN 0.281 nan 8.240 nan 0.000 0.504 128 E N 1.164 121.362 120.200 -0.002 0.000 2.583 128 E HA 0.333 4.683 4.350 0.000 0.000 0.213 128 E C 1.191 177.776 176.600 -0.026 0.000 0.989 128 E CA -0.182 56.209 56.400 -0.016 0.000 0.991 128 E CB 0.669 30.353 29.700 -0.026 0.000 1.040 128 E HN 0.697 nan 8.360 nan 0.000 0.481 129 G N 2.017 110.804 108.800 -0.022 0.000 2.664 129 G HA2 0.246 4.206 3.960 0.000 0.000 0.242 129 G HA3 0.246 4.206 3.960 0.000 0.000 0.242 129 G C -0.169 174.711 174.900 -0.033 0.000 1.225 129 G CA -0.145 44.933 45.100 -0.035 0.000 0.849 129 G HN 0.093 nan 8.290 nan 0.000 0.581 130 K N 0.261 120.635 120.400 -0.044 0.000 2.584 130 K HA 0.246 4.566 4.320 0.000 0.000 0.260 130 K C -0.751 175.825 176.600 -0.040 0.000 0.949 130 K CA -0.955 55.313 56.287 -0.030 0.000 0.888 130 K CB 0.882 33.374 32.500 -0.014 0.000 1.330 130 K HN 0.357 nan 8.250 nan 0.000 0.432 131 I N 2.553 123.097 120.570 -0.043 0.000 2.948 131 I HA -0.168 4.002 4.170 0.000 0.000 0.303 131 I C 1.032 177.143 176.117 -0.010 0.000 1.224 131 I CA 1.046 62.318 61.300 -0.046 0.000 1.442 131 I CB 0.481 38.458 38.000 -0.038 0.000 1.328 131 I HN 1.025 nan 8.210 nan 0.000 0.578 132 T N 0.417 114.970 114.554 -0.002 0.000 3.041 132 T HA 0.229 4.579 4.350 0.000 0.000 0.276 132 T C 0.099 174.818 174.700 0.031 0.000 0.948 132 T CA -0.407 61.708 62.100 0.025 0.000 0.885 132 T CB 0.300 69.195 68.868 0.045 0.000 1.175 132 T HN 0.680 nan 8.240 nan 0.000 0.529 133 E N 1.382 121.596 120.200 0.022 0.000 2.313 133 E HA 0.494 4.844 4.350 0.000 0.000 0.280 133 E C -1.196 175.417 176.600 0.022 0.000 0.898 133 E CA -0.719 55.696 56.400 0.026 0.000 0.803 133 E CB 2.403 32.119 29.700 0.027 0.000 1.286 133 E HN 0.279 nan 8.360 nan 0.000 0.401 134 V N 0.785 120.718 119.914 0.032 0.000 3.103 134 V HA 0.650 4.770 4.120 0.000 0.000 0.318 134 V C 0.027 176.143 176.094 0.036 0.000 1.114 134 V CA -0.688 61.635 62.300 0.039 0.000 1.020 134 V CB 1.647 33.507 31.823 0.063 0.000 1.085 134 V HN 0.756 nan 8.190 nan 0.000 0.446 135 D N 1.310 121.733 120.400 0.038 0.000 2.481 135 D HA 0.524 5.164 4.640 0.000 0.000 0.283 135 D C 1.176 177.497 176.300 0.034 0.000 1.192 135 D CA 0.129 54.148 54.000 0.032 0.000 1.100 135 D CB 0.573 41.389 40.800 0.028 0.000 1.166 135 D HN 0.751 nan 8.370 nan 0.000 0.584 136 A N -0.903 121.934 122.820 0.029 0.000 2.067 136 A HA -0.045 4.275 4.320 0.000 0.000 0.217 136 A C 1.125 178.726 177.584 0.029 0.000 1.156 136 A CA 1.177 53.229 52.037 0.026 0.000 0.683 136 A CB -0.434 18.578 19.000 0.020 0.000 0.808 136 A HN 0.440 nan 8.150 nan 0.000 0.455 137 D N -1.510 118.910 120.400 0.034 0.000 2.349 137 D HA 0.278 4.918 4.640 0.000 0.000 0.214 137 D C 1.310 177.642 176.300 0.054 0.000 1.063 137 D CA 0.967 54.989 54.000 0.037 0.000 0.847 137 D CB 0.269 41.090 40.800 0.035 0.000 0.933 137 D HN 0.537 nan 8.370 nan 0.000 0.513 138 G N 1.303 110.144 108.800 0.069 0.000 2.176 138 G HA2 -0.315 3.645 3.960 0.000 0.000 0.253 138 G HA3 -0.315 3.645 3.960 0.000 0.000 0.253 138 G C 0.219 175.216 174.900 0.161 0.000 0.979 138 G CA -0.244 44.924 45.100 0.114 0.000 0.641 138 G HN 0.303 nan 8.290 nan 0.000 0.530 139 K N 0.691 121.154 120.400 0.105 0.000 2.472 139 K HA 0.296 4.616 4.320 0.000 0.000 0.280 139 K C 1.040 177.669 176.600 0.048 0.000 1.028 139 K CA -0.014 56.324 56.287 0.086 0.000 1.045 139 K CB 0.540 33.072 32.500 0.053 0.000 0.902 139 K HN 0.380 nan 8.250 nan 0.000 0.478 140 I N 4.719 125.287 120.570 -0.003 0.000 2.505 140 I HA -0.076 4.094 4.170 0.000 0.000 0.287 140 I C 1.209 177.311 176.117 -0.026 0.000 1.104 140 I CA 0.161 61.422 61.300 -0.064 0.000 1.387 140 I CB 0.395 38.272 38.000 -0.206 0.000 1.404 140 I HN 0.530 nan 8.210 nan 0.000 0.528 141 K N 5.164 125.560 120.400 -0.007 0.000 2.313 141 K HA 0.215 4.535 4.320 0.000 0.000 0.197 141 K C 0.425 177.036 176.600 0.018 0.000 1.061 141 K CA 0.563 56.853 56.287 0.005 0.000 0.980 141 K CB 0.556 33.061 32.500 0.008 0.000 0.888 141 K HN 0.514 nan 8.250 nan 0.000 0.502 142 K N 0.991 121.402 120.400 0.019 0.000 2.542 142 K HA 0.323 4.643 4.320 0.000 0.000 0.259 142 K C -1.291 175.311 176.600 0.003 0.000 0.932 142 K CA -0.513 55.801 56.287 0.046 0.000 0.820 142 K CB 1.626 34.148 32.500 0.037 0.000 1.345 142 K HN 0.036 nan 8.250 nan 0.000 0.432 143 I N -0.336 120.212 120.570 -0.037 0.000 3.206 143 I HA 0.618 4.788 4.170 0.000 0.000 0.313 143 I C -1.469 174.575 176.117 -0.122 0.000 1.103 143 I CA -0.887 60.322 61.300 -0.151 0.000 0.985 143 I CB 2.447 40.250 38.000 -0.329 0.000 1.240 143 I HN 0.562 nan 8.210 nan 0.000 0.464 144 N N 2.998 121.643 118.700 -0.091 0.000 2.571 144 N HA 0.438 5.178 4.740 0.000 0.000 0.286 144 N C -1.837 173.657 175.510 -0.026 0.000 1.138 144 N CA -0.359 52.699 53.050 0.013 0.000 0.859 144 N CB 1.899 40.461 38.487 0.124 0.000 1.414 144 N HN 0.647 nan 8.380 nan 0.000 0.529 145 I N 3.959 124.512 120.570 -0.028 0.000 2.312 145 I HA 0.349 4.519 4.170 0.000 0.000 0.290 145 I C -2.091 174.027 176.117 0.002 0.000 1.008 145 I CA -2.004 59.279 61.300 -0.029 0.000 1.226 145 I CB 1.580 39.551 38.000 -0.048 0.000 1.371 145 I HN 0.206 nan 8.210 nan 0.000 0.468 146 P HA 0.104 nan 4.420 nan 0.000 0.271 146 P C 0.559 177.849 177.300 -0.018 0.000 1.216 146 P CA -0.185 62.897 63.100 -0.029 0.000 0.776 146 P CB 0.672 32.340 31.700 -0.053 0.000 0.881 147 T N -1.697 112.845 114.554 -0.020 0.000 3.085 147 T HA 0.321 4.671 4.350 0.000 0.000 0.264 147 T C 1.498 176.189 174.700 -0.016 0.000 1.019 147 T CA 0.326 62.411 62.100 -0.025 0.000 0.910 147 T CB -0.314 68.531 68.868 -0.039 0.000 1.059 147 T HN 0.223 nan 8.240 nan 0.000 0.542 148 A N 3.164 125.976 122.820 -0.013 0.000 1.859 148 A HA -0.139 4.181 4.320 0.000 0.000 0.217 148 A C 2.349 179.933 177.584 -0.001 0.000 1.198 148 A CA 1.798 53.830 52.037 -0.009 0.000 0.629 148 A CB -0.595 18.398 19.000 -0.012 0.000 0.830 148 A HN 0.556 nan 8.150 nan 0.000 0.446 149 K N -0.270 120.136 120.400 0.011 0.000 2.057 149 K HA -0.048 4.272 4.320 0.000 0.000 0.206 149 K C 1.918 178.551 176.600 0.054 0.000 1.050 149 K CA 1.578 57.886 56.287 0.034 0.000 0.935 149 K CB -0.440 32.089 32.500 0.047 0.000 0.715 149 K HN 0.747 nan 8.250 nan 0.000 0.439 150 I N 0.544 121.138 120.570 0.038 0.000 2.233 150 I HA -0.175 3.995 4.170 0.000 0.000 0.243 150 I C 2.570 178.645 176.117 -0.069 0.000 1.093 150 I CA 1.135 62.445 61.300 0.017 0.000 1.380 150 I CB -0.952 37.009 38.000 -0.065 0.000 1.067 150 I HN 0.082 nan 8.210 nan 0.000 0.413 151 I N 1.190 121.730 120.570 -0.051 0.000 2.361 151 I HA -0.144 4.026 4.170 0.000 0.000 0.251 151 I C 2.689 178.785 176.117 -0.034 0.000 1.133 151 I CA 1.512 62.818 61.300 0.011 0.000 1.413 151 I CB -0.470 37.586 38.000 0.093 0.000 1.073 151 I HN 0.151 nan 8.210 nan 0.000 0.424 152 A N 1.978 124.785 122.820 -0.022 0.000 1.828 152 A HA -0.250 4.070 4.320 0.000 0.000 0.215 152 A C 2.365 179.965 177.584 0.027 0.000 1.203 152 A CA 2.321 54.347 52.037 -0.019 0.000 0.614 152 A CB -0.868 18.134 19.000 0.004 0.000 0.844 152 A HN 0.459 nan 8.150 nan 0.000 0.445 153 K N 0.083 120.540 120.400 0.096 0.000 2.127 153 K HA -0.135 4.185 4.320 0.000 0.000 0.208 153 K C 1.915 178.632 176.600 0.195 0.000 1.047 153 K CA 1.970 58.362 56.287 0.176 0.000 0.927 153 K CB -0.583 32.091 32.500 0.290 0.000 0.716 153 K HN 0.393 nan 8.250 nan 0.000 0.450 154 A N 0.571 123.482 122.820 0.151 0.000 1.873 154 A HA -0.148 4.172 4.320 0.000 0.000 0.215 154 A C 2.016 179.671 177.584 0.118 0.000 1.186 154 A CA 1.805 53.915 52.037 0.122 0.000 0.616 154 A CB -0.482 18.439 19.000 -0.132 0.000 0.823 154 A HN 0.358 nan 8.150 nan 0.000 0.442 155 K N -0.453 119.956 120.400 0.016 0.000 2.063 155 K HA -0.212 4.108 4.320 0.000 0.000 0.208 155 K C 2.066 178.668 176.600 0.002 0.000 1.048 155 K CA 1.613 57.851 56.287 -0.081 0.000 0.928 155 K CB -0.140 32.194 32.500 -0.278 0.000 0.713 155 K HN 0.740 nan 8.250 nan 0.000 0.442 156 E N 1.034 121.252 120.200 0.030 0.000 2.333 156 E HA -0.130 4.220 4.350 0.000 0.000 0.198 156 E C 0.715 177.368 176.600 0.089 0.000 1.007 156 E CA 1.149 57.581 56.400 0.053 0.000 0.845 156 E CB 0.323 30.062 29.700 0.066 0.000 0.766 156 E HN 0.193 nan 8.360 nan 0.000 0.507 157 V N -3.565 116.423 119.914 0.123 0.000 2.925 157 V HA 0.527 4.647 4.120 0.000 0.000 0.361 157 V C 0.867 177.051 176.094 0.150 0.000 1.361 157 V CA 0.028 62.420 62.300 0.153 0.000 1.184 157 V CB 0.040 32.002 31.823 0.233 0.000 1.245 157 V HN 0.208 nan 8.190 nan 0.000 0.575 158 G N 1.129 110.002 108.800 0.121 0.000 2.270 158 G HA2 -0.316 3.644 3.960 0.000 0.000 0.268 158 G HA3 -0.316 3.644 3.960 0.000 0.000 0.268 158 G C 0.306 175.288 174.900 0.137 0.000 0.982 158 G CA 0.785 45.955 45.100 0.116 0.000 0.628 158 G HN 0.706 nan 8.290 nan 0.000 0.544 159 E N -0.184 120.117 120.200 0.168 0.000 2.368 159 E HA 0.398 4.748 4.350 0.000 0.000 0.283 159 E C -0.619 176.037 176.600 0.095 0.000 1.476 159 E CA -0.380 56.118 56.400 0.163 0.000 1.786 159 E CB 0.084 29.969 29.700 0.308 0.000 1.518 159 E HN 0.566 nan 8.360 nan 0.000 0.456 160 Y N 0.591 120.869 120.300 -0.037 0.000 2.373 160 Y HA 0.320 4.870 4.550 -0.000 0.000 0.336 160 Y C -2.273 173.591 175.900 -0.059 0.000 0.979 160 Y CA -2.186 55.862 58.100 -0.087 0.000 1.080 160 Y CB 1.800 40.213 38.460 -0.077 0.000 1.190 160 Y HN 0.004 nan 8.280 nan 0.000 0.446 161 P HA 0.113 nan 4.420 nan 0.000 0.266 161 P C 1.020 178.104 177.300 -0.360 0.000 1.381 161 P CA 0.427 63.074 63.100 -0.755 0.000 0.940 161 P CB 0.366 31.551 31.700 -0.858 0.000 1.435 162 T N -0.345 114.089 114.554 -0.201 0.000 2.493 162 T HA -0.256 4.094 4.350 0.000 0.000 0.256 162 T C 1.247 175.874 174.700 -0.122 0.000 1.195 162 T CA 1.041 63.076 62.100 -0.107 0.000 1.183 162 T CB -1.099 67.756 68.868 -0.022 0.000 0.863 162 T HN 0.048 nan 8.240 nan 0.000 0.418 163 L N -0.371 120.784 121.223 -0.114 0.000 7.836 163 L HA -0.180 4.160 4.340 0.000 0.000 0.064 163 L C 1.857 178.799 176.870 0.120 0.000 1.275 163 L CA 1.043 55.770 54.840 -0.190 0.000 1.424 163 L CB -1.737 40.028 42.059 -0.490 0.000 2.916 163 L HN 0.926 nan 8.230 nan 0.000 1.197 164 G N -1.454 107.443 108.800 0.162 0.000 3.444 164 G HA2 -0.407 3.553 3.960 0.000 0.000 0.222 164 G HA3 -0.407 3.553 3.960 0.000 0.000 0.222 164 G C 0.904 175.958 174.900 0.256 0.000 1.358 164 G CA 1.516 46.728 45.100 0.188 0.000 0.880 164 G HN 0.853 nan 8.290 nan 0.000 0.555 165 S N 0.845 116.706 115.700 0.268 0.000 2.345 165 S HA -0.019 4.451 4.470 0.000 0.000 0.219 165 S C 1.847 176.544 174.600 0.161 0.000 1.031 165 S CA 1.807 60.116 58.200 0.181 0.000 0.984 165 S CB -0.252 63.038 63.200 0.149 0.000 0.874 165 S HN 0.633 nan 8.310 nan 0.000 0.451 166 N N -0.492 118.310 118.700 0.171 0.000 2.236 166 N HA 0.109 4.849 4.740 0.000 0.000 0.196 166 N C -1.037 174.459 175.510 -0.023 0.000 1.114 166 N CA 0.023 53.099 53.050 0.044 0.000 0.859 166 N CB 0.053 38.567 38.487 0.045 0.000 0.982 166 N HN 0.403 nan 8.380 nan 0.000 0.493 167 W N 2.207 123.595 121.300 0.146 0.000 2.361 167 W HA 0.367 5.026 4.660 -0.000 0.000 0.309 167 W C 0.531 177.097 176.519 0.077 0.000 1.122 167 W CA -0.365 57.042 57.345 0.103 0.000 1.208 167 W CB 0.982 30.457 29.460 0.026 0.000 1.246 167 W HN -0.165 nan 8.180 nan 0.000 0.490 168 T N 0.033 114.743 114.554 0.261 0.000 2.896 168 T HA 0.886 5.236 4.350 0.000 0.000 0.297 168 T C -0.931 173.854 174.700 0.141 0.000 1.108 168 T CA -1.138 61.059 62.100 0.162 0.000 1.004 168 T CB 1.985 70.911 68.868 0.097 0.000 1.159 168 T HN 0.575 nan 8.240 nan 0.000 0.499 169 A N 1.797 124.676 122.820 0.099 0.000 2.359 169 A HA 0.778 5.098 4.320 0.000 0.000 0.303 169 A C -0.363 177.248 177.584 0.045 0.000 1.066 169 A CA -0.884 51.194 52.037 0.069 0.000 0.730 169 A CB 1.078 20.108 19.000 0.051 0.000 1.211 169 A HN 1.070 nan 8.150 nan 0.000 0.439 170 E N 3.027 123.250 120.200 0.039 0.000 2.339 170 E HA 0.781 5.131 4.350 0.000 0.000 0.262 170 E C -0.809 175.809 176.600 0.031 0.000 0.934 170 E CA -0.875 55.547 56.400 0.036 0.000 0.802 170 E CB 1.325 31.049 29.700 0.041 0.000 1.275 170 E HN 0.408 nan 8.360 nan 0.000 0.427 171 I N 0.155 120.755 120.570 0.050 0.000 4.126 171 I HA 0.461 4.631 4.170 0.000 0.000 0.245 171 I C -0.133 176.031 176.117 0.078 0.000 1.367 171 I CA -1.107 60.232 61.300 0.065 0.000 1.178 171 I CB 1.026 39.100 38.000 0.122 0.000 1.495 171 I HN 0.832 nan 8.210 nan 0.000 0.561 172 S N 0.674 116.436 115.700 0.103 0.000 2.240 172 S HA 0.349 4.819 4.470 0.000 0.000 0.281 172 S C -0.766 173.882 174.600 0.081 0.000 0.842 172 S CA -0.700 57.546 58.200 0.076 0.000 0.942 172 S CB 0.212 63.440 63.200 0.046 0.000 1.241 172 S HN 0.901 nan 8.310 nan 0.000 0.407 173 S N 1.913 117.654 115.700 0.068 0.000 2.661 173 S HA 0.898 5.368 4.470 0.000 0.000 0.285 173 S C 0.638 175.228 174.600 -0.018 0.000 1.138 173 S CA -0.024 58.200 58.200 0.039 0.000 0.855 173 S CB 1.477 64.714 63.200 0.062 0.000 1.136 173 S HN 1.697 nan 8.310 nan 0.000 0.484 174 S N 1.322 117.006 115.700 -0.025 0.000 2.479 174 S HA 0.218 4.688 4.470 0.000 0.000 0.157 174 S C 0.894 175.459 174.600 -0.059 0.000 1.101 174 S CA 0.539 58.721 58.200 -0.032 0.000 1.696 174 S CB -1.593 61.596 63.200 -0.017 0.000 0.580 174 S HN 2.061 nan 8.310 nan 0.000 0.407 175 S N 2.084 117.752 115.700 -0.053 0.000 3.350 175 S HA 0.155 4.625 4.470 0.000 0.000 0.391 175 S C 0.466 174.997 174.600 -0.115 0.000 0.887 175 S CA 0.173 58.334 58.200 -0.066 0.000 2.009 175 S CB -2.247 60.923 63.200 -0.050 0.000 1.135 175 S HN 1.162 nan 8.310 nan 0.000 0.653 176 S N 1.363 116.994 115.700 -0.115 0.000 3.410 176 S HA 0.016 4.486 4.470 0.000 0.000 0.640 176 S C 0.621 175.057 174.600 -0.273 0.000 2.552 176 S CA 0.328 58.427 58.200 -0.169 0.000 2.728 176 S CB -1.270 61.819 63.200 -0.184 0.000 0.329 176 S HN 1.748 nan 8.310 nan 0.000 1.792 177 G N -0.309 108.260 108.800 -0.386 0.000 2.568 177 G HA2 0.676 4.636 3.960 0.000 0.000 0.313 177 G HA3 0.676 4.636 3.960 0.000 0.000 0.313 177 G C -0.754 173.987 174.900 -0.264 0.000 1.227 177 G CA -1.044 43.684 45.100 -0.620 0.000 0.979 177 G HN 0.942 nan 8.290 nan 0.000 0.486 178 L N -1.362 119.754 121.223 -0.179 0.000 2.265 178 L HA 0.637 4.977 4.340 0.000 0.000 0.289 178 L C 0.774 177.699 176.870 0.091 0.000 1.033 178 L CA -0.300 54.523 54.840 -0.029 0.000 0.814 178 L CB 1.204 43.256 42.059 -0.012 0.000 1.203 178 L HN 1.253 nan 8.230 nan 0.000 0.423 179 A N 1.885 124.784 122.820 0.131 0.000 3.115 179 A HA 0.001 4.321 4.320 0.000 0.000 0.255 179 A C 0.547 178.235 177.584 0.173 0.000 1.380 179 A CA 0.491 52.612 52.037 0.140 0.000 0.806 179 A CB -1.887 17.166 19.000 0.088 0.000 1.044 179 A HN 1.396 nan 8.150 nan 0.000 0.589 180 A N -0.226 122.744 122.820 0.251 0.000 2.366 180 A HA 0.606 4.926 4.320 0.000 0.000 0.272 180 A C 0.206 177.805 177.584 0.025 0.000 1.135 180 A CA 0.407 52.476 52.037 0.054 0.000 0.804 180 A CB 0.666 19.490 19.000 -0.294 0.000 1.064 180 A HN 1.455 nan 8.150 nan 0.000 0.499 181 V N 5.393 125.310 119.914 0.005 0.000 2.325 181 V HA 0.258 4.378 4.120 0.000 0.000 0.280 181 V C -0.254 175.846 176.094 0.010 0.000 1.016 181 V CA -0.086 62.224 62.300 0.016 0.000 0.818 181 V CB 0.601 32.441 31.823 0.030 0.000 1.019 181 V HN 0.729 nan 8.190 nan 0.000 0.434 182 I N 3.527 124.101 120.570 0.006 0.000 2.353 182 I HA 0.482 4.652 4.170 0.000 0.000 0.293 182 I C 0.311 176.463 176.117 0.058 0.000 0.992 182 I CA -0.018 61.297 61.300 0.026 0.000 1.268 182 I CB 1.633 39.624 38.000 -0.016 0.000 1.387 182 I HN 0.405 nan 8.210 nan 0.000 0.478 183 T N 7.015 121.623 114.554 0.090 0.000 2.829 183 T HA 0.585 4.935 4.350 0.000 0.000 0.280 183 T C -0.253 174.521 174.700 0.123 0.000 0.999 183 T CA -0.533 61.622 62.100 0.092 0.000 0.983 183 T CB 1.558 70.468 68.868 0.071 0.000 0.968 183 T HN 0.298 nan 8.240 nan 0.000 0.446 184 L N 2.358 123.651 121.223 0.117 0.000 2.307 184 L HA 0.682 5.022 4.340 0.000 0.000 0.284 184 L C 1.003 177.924 176.870 0.084 0.000 1.023 184 L CA -0.638 54.274 54.840 0.120 0.000 0.810 184 L CB 1.573 43.707 42.059 0.124 0.000 1.231 184 L HN 0.827 nan 8.230 nan 0.000 0.423 185 G N 2.711 111.545 108.800 0.057 0.000 3.392 185 G HA2 0.367 4.327 3.960 0.000 0.000 0.188 185 G HA3 0.367 4.327 3.960 0.000 0.000 0.188 185 G C -0.421 174.452 174.900 -0.046 0.000 1.485 185 G CA -0.417 44.692 45.100 0.014 0.000 0.943 185 G HN 0.541 nan 8.290 nan 0.000 0.627 186 K N -0.398 119.959 120.400 -0.072 0.000 2.132 186 K HA 0.526 4.846 4.320 0.000 0.000 0.241 186 K C -0.655 175.842 176.600 -0.172 0.000 1.000 186 K CA -0.823 55.376 56.287 -0.147 0.000 0.911 186 K CB 1.638 34.056 32.500 -0.136 0.000 1.093 186 K HN 0.042 nan 8.250 nan 0.000 0.460 187 I N 2.511 122.921 120.570 -0.266 0.000 2.471 187 I HA 0.049 4.219 4.170 0.000 0.000 0.286 187 I C 0.626 176.613 176.117 -0.218 0.000 1.079 187 I CA -0.403 60.744 61.300 -0.254 0.000 1.398 187 I CB 0.231 38.020 38.000 -0.352 0.000 1.403 187 I HN 0.505 nan 8.210 nan 0.000 0.530 188 I N 6.951 127.425 120.570 -0.160 0.000 2.813 188 I HA -0.050 4.120 4.170 0.000 0.000 0.287 188 I C 1.248 177.292 176.117 -0.123 0.000 1.196 188 I CA 0.775 61.996 61.300 -0.131 0.000 1.421 188 I CB 0.530 38.444 38.000 -0.142 0.000 1.365 188 I HN 0.658 nan 8.210 nan 0.000 0.591 189 T N -0.574 113.924 114.554 -0.093 0.000 3.028 189 T HA 0.051 4.401 4.350 0.000 0.000 0.262 189 T C 0.237 174.920 174.700 -0.029 0.000 0.916 189 T CA -0.325 61.737 62.100 -0.063 0.000 0.873 189 T CB 0.273 69.091 68.868 -0.084 0.000 1.232 189 T HN 0.492 nan 8.240 nan 0.000 0.529 190 D N 2.952 123.336 120.400 -0.027 0.000 2.380 190 D HA 0.270 4.910 4.640 0.000 0.000 0.230 190 D C 1.571 177.878 176.300 0.012 0.000 1.154 190 D CA 0.123 54.120 54.000 -0.006 0.000 0.859 190 D CB 1.549 42.347 40.800 -0.004 0.000 1.045 190 D HN 0.211 nan 8.370 nan 0.000 0.495 191 S N 3.050 118.761 115.700 0.018 0.000 2.402 191 S HA -0.110 4.360 4.470 0.000 0.000 0.233 191 S C 1.692 176.350 174.600 0.096 0.000 1.030 191 S CA 1.057 59.284 58.200 0.044 0.000 1.003 191 S CB -0.592 62.623 63.200 0.026 0.000 0.813 191 S HN 0.963 nan 8.310 nan 0.000 0.477 192 G N 0.346 109.180 108.800 0.057 0.000 2.182 192 G HA2 -0.156 3.804 3.960 0.000 0.000 0.248 192 G HA3 -0.156 3.804 3.960 0.000 0.000 0.248 192 G C -0.327 174.555 174.900 -0.031 0.000 1.042 192 G CA 0.251 45.406 45.100 0.092 0.000 0.775 192 G HN 1.101 nan 8.290 nan 0.000 0.501 193 I N -0.789 119.684 120.570 -0.162 0.000 2.753 193 I HA 0.697 4.867 4.170 0.000 0.000 0.291 193 I C -1.375 174.597 176.117 -0.243 0.000 1.425 193 I CA -1.179 59.899 61.300 -0.370 0.000 1.039 193 I CB 1.796 39.339 38.000 -0.761 0.000 1.349 193 I HN 0.260 nan 8.210 nan 0.000 0.430 194 L N 7.790 128.873 121.223 -0.234 0.000 2.439 194 L HA 0.476 4.816 4.340 0.000 0.000 0.270 194 L C -0.083 176.664 176.870 -0.205 0.000 0.972 194 L CA -0.719 54.015 54.840 -0.176 0.000 0.836 194 L CB 1.768 43.760 42.059 -0.111 0.000 1.255 194 L HN 0.781 nan 8.230 nan 0.000 0.404 195 L N 4.664 125.751 121.223 -0.226 0.000 1.976 195 L HA -0.056 4.284 4.340 0.000 0.000 0.209 195 L C 1.830 178.583 176.870 -0.195 0.000 1.071 195 L CA 1.318 55.998 54.840 -0.265 0.000 0.746 195 L CB -0.912 40.903 42.059 -0.407 0.000 0.890 195 L HN 0.967 nan 8.230 nan 0.000 0.432 196 A N -0.318 122.440 122.820 -0.102 0.000 5.391 196 A HA -0.316 4.004 4.320 0.000 0.000 0.315 196 A C 0.489 178.063 177.584 -0.017 0.000 1.874 196 A CA 1.591 53.620 52.037 -0.013 0.000 0.714 196 A CB -1.461 17.570 19.000 0.051 0.000 1.335 196 A HN 0.468 nan 8.150 nan 0.000 0.382 197 E N -0.611 119.595 120.200 0.009 0.000 2.421 197 E HA 0.508 4.858 4.350 0.000 0.000 0.253 197 E C 1.193 177.770 176.600 -0.038 0.000 1.277 197 E CA 0.148 56.564 56.400 0.028 0.000 0.968 197 E CB 0.120 29.857 29.700 0.061 0.000 1.040 197 E HN 0.472 nan 8.360 nan 0.000 0.512 198 I N 1.078 121.642 120.570 -0.011 0.000 3.854 198 I HA -0.081 4.089 4.170 0.000 0.000 0.312 198 I C 1.758 177.874 176.117 -0.002 0.000 1.273 198 I CA 0.540 61.828 61.300 -0.021 0.000 1.298 198 I CB -0.982 37.031 38.000 0.020 0.000 1.071 198 I HN 0.592 nan 8.210 nan 0.000 0.428 199 E N 1.413 121.614 120.200 0.001 0.000 2.160 199 E HA -0.232 4.118 4.350 0.000 0.000 0.195 199 E C 0.764 177.356 176.600 -0.013 0.000 0.991 199 E CA 1.356 57.755 56.400 -0.002 0.000 0.810 199 E CB -0.424 29.270 29.700 -0.010 0.000 0.742 199 E HN 0.415 nan 8.360 nan 0.000 0.466 200 N N 0.989 119.668 118.700 -0.035 0.000 2.299 200 N HA 0.191 4.931 4.740 0.000 0.000 0.187 200 N C 1.306 176.771 175.510 -0.075 0.000 1.099 200 N CA 0.742 53.761 53.050 -0.052 0.000 0.867 200 N CB 0.281 38.725 38.487 -0.072 0.000 0.974 200 N HN 0.292 nan 8.380 nan 0.000 0.477 201 A N 2.442 125.208 122.820 -0.089 0.000 2.766 201 A HA -0.320 4.000 4.320 0.000 0.000 0.234 201 A C 1.756 179.270 177.584 -0.117 0.000 1.284 201 A CA 2.631 54.569 52.037 -0.164 0.000 1.067 201 A CB -1.080 17.925 19.000 0.008 0.000 0.598 201 A HN 0.474 nan 8.150 nan 0.000 0.486 202 E N 0.455 120.717 120.200 0.103 0.000 2.516 202 E HA 0.370 4.720 4.350 0.000 0.000 0.199 202 E C 1.307 177.955 176.600 0.081 0.000 1.069 202 E CA 1.161 57.669 56.400 0.180 0.000 0.876 202 E CB -0.817 29.040 29.700 0.261 0.000 0.843 202 E HN 0.651 nan 8.360 nan 0.000 0.530 203 A N 0.875 123.711 122.820 0.026 0.000 2.067 203 A HA 0.301 4.621 4.320 0.000 0.000 0.217 203 A C 2.315 179.892 177.584 -0.013 0.000 1.156 203 A CA 1.106 53.152 52.037 0.014 0.000 0.683 203 A CB -0.354 18.646 19.000 0.000 0.000 0.808 203 A HN 0.391 nan 8.150 nan 0.000 0.455 204 A N -1.147 121.634 122.820 -0.066 0.000 2.030 204 A HA 0.166 4.486 4.320 0.000 0.000 0.215 204 A C 1.900 179.399 177.584 -0.142 0.000 1.164 204 A CA 0.929 52.892 52.037 -0.123 0.000 0.697 204 A CB -0.285 18.596 19.000 -0.198 0.000 0.827 204 A HN 0.363 nan 8.150 nan 0.000 0.457 205 M N 0.214 119.771 119.600 -0.072 0.000 2.630 205 M HA 0.013 4.493 4.480 0.000 0.000 0.254 205 M C 0.098 176.540 176.300 0.236 0.000 1.092 205 M CA 1.039 56.372 55.300 0.055 0.000 1.087 205 M CB -0.845 31.850 32.600 0.158 0.000 1.453 205 M HN 0.225 nan 8.290 nan 0.000 0.509 206 T N 0.315 114.957 114.554 0.148 0.000 3.624 206 T HA 0.498 4.848 4.350 0.000 0.000 0.244 206 T C -0.098 174.669 174.700 0.111 0.000 1.063 206 T CA -0.271 61.916 62.100 0.144 0.000 1.252 206 T CB 0.303 69.235 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.328 124.234 122.820 0.143 0.000 2.292 207 A HA 0.664 4.984 4.320 0.000 0.000 0.319 207 A C 1.732 179.382 177.584 0.109 0.000 1.206 207 A CA -0.709 51.388 52.037 0.100 0.000 0.835 207 A CB 0.506 19.553 19.000 0.078 0.000 1.164 207 A HN 0.486 nan 8.150 nan 0.000 0.505 208 V N 0.606 120.557 119.914 0.061 0.000 2.277 208 V HA -0.313 3.807 4.120 0.000 0.000 0.253 208 V C 1.529 177.648 176.094 0.042 0.000 1.067 208 V CA 2.583 64.906 62.300 0.039 0.000 1.047 208 V CB -1.049 30.786 31.823 0.020 0.000 0.649 208 V HN 0.819 nan 8.190 nan 0.000 0.447 209 D N -0.519 119.916 120.400 0.058 0.000 2.097 209 D HA -0.149 4.491 4.640 0.000 0.000 0.195 209 D C 1.911 178.273 176.300 0.103 0.000 0.989 209 D CA 2.002 56.038 54.000 0.060 0.000 0.827 209 D CB -0.213 40.622 40.800 0.058 0.000 0.966 209 D HN 0.578 nan 8.370 nan 0.000 0.456 210 F N 2.178 122.119 119.950 -0.016 0.000 2.031 210 F HA -0.161 4.366 4.527 0.000 0.000 0.295 210 F C 2.474 178.266 175.800 -0.013 0.000 1.133 210 F CA 1.323 59.314 58.000 -0.015 0.000 1.188 210 F CB -0.481 38.507 39.000 -0.020 0.000 0.974 210 F HN -0.203 nan 8.300 nan 0.000 0.473 211 Q N 0.530 120.302 119.800 -0.047 0.000 2.308 211 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 211 Q C 2.343 178.246 176.000 -0.161 0.000 0.985 211 Q CA 1.267 56.977 55.803 -0.156 0.000 0.881 211 Q CB -0.878 27.856 28.738 -0.007 0.000 0.917 211 Q HN 0.580 nan 8.270 nan 0.000 0.443 212 A N 1.614 124.370 122.820 -0.106 0.000 1.865 212 A HA -0.207 4.113 4.320 0.000 0.000 0.217 212 A C 1.837 179.335 177.584 -0.143 0.000 1.191 212 A CA 1.638 53.614 52.037 -0.101 0.000 0.623 212 A CB -0.694 18.266 19.000 -0.067 0.000 0.826 212 A HN 0.472 nan 8.150 nan 0.000 0.444 213 N N -0.143 118.473 118.700 -0.140 0.000 2.331 213 N HA -0.028 4.712 4.740 0.000 0.000 0.180 213 N C 1.593 177.045 175.510 -0.097 0.000 1.019 213 N CA 0.964 53.972 53.050 -0.071 0.000 0.881 213 N CB -0.237 38.291 38.487 0.068 0.000 0.972 213 N HN 0.433 nan 8.380 nan 0.000 0.435 214 L N 1.163 122.221 121.223 -0.275 0.000 2.191 214 L HA -0.157 4.183 4.340 0.000 0.000 0.212 214 L C 2.144 178.900 176.870 -0.190 0.000 1.103 214 L CA 1.220 55.883 54.840 -0.294 0.000 0.769 214 L CB -0.188 41.619 42.059 -0.420 0.000 0.908 214 L HN 0.125 nan 8.230 nan 0.000 0.438 215 K N 0.037 120.341 120.400 -0.161 0.000 2.044 215 K HA -0.124 4.196 4.320 0.000 0.000 0.204 215 K C 2.149 178.669 176.600 -0.134 0.000 1.045 215 K CA 0.727 56.940 56.287 -0.122 0.000 0.951 215 K CB -0.034 32.403 32.500 -0.106 0.000 0.738 215 K HN 0.046 nan 8.250 nan 0.000 0.443 216 K N 0.270 120.536 120.400 -0.223 0.000 2.074 216 K HA -0.178 4.142 4.320 0.000 0.000 0.209 216 K C 0.723 177.069 176.600 -0.423 0.000 1.048 216 K CA 1.636 57.672 56.287 -0.418 0.000 0.926 216 K CB 0.017 32.079 32.500 -0.731 0.000 0.713 216 K HN 0.167 nan 8.250 nan 0.000 0.444 217 Y N -0.138 120.167 120.300 0.007 0.000 2.658 217 Y HA 0.287 4.837 4.550 0.000 0.000 0.276 217 Y C 0.670 176.575 175.900 0.009 0.000 1.167 217 Y CA -0.161 57.977 58.100 0.064 0.000 1.230 217 Y CB 0.668 39.157 38.460 0.048 0.000 1.144 217 Y HN 0.190 nan 8.280 nan 0.000 0.529 218 G N 2.291 111.120 108.800 0.047 0.000 2.396 218 G HA2 -0.281 3.679 3.960 0.000 0.000 0.288 218 G HA3 -0.281 3.679 3.960 0.000 0.000 0.288 218 G C 0.044 174.871 174.900 -0.120 0.000 0.926 218 G CA 0.990 46.089 45.100 -0.002 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.307 117.091 120.570 -0.286 0.000 3.145 219 I HA 0.816 4.986 4.170 0.000 0.000 0.313 219 I C -2.668 173.002 176.117 -0.746 0.000 1.122 219 I CA -3.536 57.383 61.300 -0.635 0.000 0.987 219 I CB 2.154 39.845 38.000 -0.515 0.000 1.236 219 I HN -0.102 nan 8.210 nan 0.000 0.453 220 P HA 0.259 nan 4.420 nan 0.000 0.278 220 P C -0.087 176.850 177.300 -0.604 0.000 1.266 220 P CA -0.335 62.124 63.100 -1.067 0.000 0.807 220 P CB 0.756 31.276 31.700 -1.966 0.000 1.094 221 G N 0.204 108.799 108.800 -0.341 0.000 3.209 221 G HA2 0.399 4.359 3.960 0.000 0.000 0.274 221 G HA3 0.399 4.359 3.960 0.000 0.000 0.274 221 G C -0.702 174.181 174.900 -0.029 0.000 0.850 221 G CA -0.146 44.900 45.100 -0.090 0.000 1.907 221 G HN 0.289 nan 8.290 nan 0.000 0.591 222 V N 2.300 122.147 119.914 -0.112 0.000 2.378 222 V HA 0.578 4.698 4.120 0.000 0.000 0.288 222 V C 0.151 176.234 176.094 -0.018 0.000 1.016 222 V CA -0.790 61.456 62.300 -0.090 0.000 0.840 222 V CB 1.235 32.966 31.823 -0.152 0.000 0.994 222 V HN 0.518 nan 8.190 nan 0.000 0.431 223 V N 2.015 121.927 119.914 -0.003 0.000 3.001 223 V HA 1.017 5.137 4.120 0.000 0.000 0.314 223 V C 0.313 176.406 176.094 -0.001 0.000 1.099 223 V CA -0.966 61.340 62.300 0.010 0.000 0.989 223 V CB 1.864 33.677 31.823 -0.018 0.000 1.040 223 V HN 1.051 nan 8.190 nan 0.000 0.434 224 A N 1.648 124.482 122.820 0.023 0.000 2.483 224 A HA 0.463 4.783 4.320 0.000 0.000 0.238 224 A C 0.810 178.343 177.584 -0.084 0.000 1.070 224 A CA 0.256 52.326 52.037 0.054 0.000 0.770 224 A CB 0.212 19.309 19.000 0.161 0.000 1.008 224 A HN 1.524 nan 8.150 nan 0.000 0.497 225 L N 1.550 122.662 121.223 -0.185 0.000 2.217 225 L HA 0.106 4.446 4.340 0.000 0.000 0.211 225 L C -0.327 176.109 176.870 -0.724 0.000 1.107 225 L CA 1.519 56.065 54.840 -0.491 0.000 0.783 225 L CB -0.340 41.304 42.059 -0.691 0.000 0.919 225 L HN 0.622 nan 8.230 nan 0.000 0.442 226 Y N -0.420 119.545 120.300 -0.559 0.000 2.409 226 Y HA 0.524 5.074 4.550 0.000 0.000 0.343 226 Y C -2.196 173.296 175.900 -0.679 0.000 0.973 226 Y CA -4.078 53.471 58.100 -0.919 0.000 1.064 226 Y CB 0.423 37.700 38.460 -1.971 0.000 1.207 226 Y HN -0.117 nan 8.280 nan 0.000 0.452 227 P HA 0.314 nan 4.420 nan 0.000 0.266 227 P C -0.129 177.167 177.300 -0.006 0.000 1.195 227 P CA 0.494 63.529 63.100 -0.108 0.000 0.768 227 P CB 0.583 32.229 31.700 -0.090 0.000 0.838 228 G N 2.133 111.011 108.800 0.131 0.000 2.306 228 G HA2 0.015 3.975 3.960 0.000 0.000 0.340 228 G HA3 0.015 3.975 3.960 0.000 0.000 0.340 228 G C 0.086 175.149 174.900 0.271 0.000 1.630 228 G CA -0.655 44.608 45.100 0.272 0.000 0.937 228 G HN 0.300 nan 8.290 nan 0.000 0.693 229 E N 0.737 121.040 120.200 0.172 0.000 2.338 229 E HA 0.023 4.373 4.350 0.000 0.000 0.197 229 E C 2.487 179.146 176.600 0.098 0.000 1.007 229 E CA 0.496 56.964 56.400 0.113 0.000 0.849 229 E CB 0.100 29.840 29.700 0.067 0.000 0.774 229 E HN 0.495 nan 8.360 nan 0.000 0.506 230 L N 0.017 121.308 121.223 0.114 0.000 2.362 230 L HA -0.057 4.283 4.340 0.000 0.000 0.219 230 L C 2.119 178.947 176.870 -0.070 0.000 1.134 230 L CA 0.892 55.681 54.840 -0.086 0.000 0.807 230 L CB -0.282 41.549 42.059 -0.380 0.000 0.927 230 L HN 0.300 nan 8.230 nan 0.000 0.447 231 G N -1.149 107.783 108.800 0.220 0.000 2.572 231 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 231 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 231 G C 0.982 175.968 174.900 0.144 0.000 1.133 231 G CA 0.211 45.483 45.100 0.286 0.000 0.791 231 G HN 0.287 nan 8.290 nan 0.000 0.538 232 D N 0.662 121.120 120.400 0.096 0.000 2.309 232 D HA -0.031 4.609 4.640 0.000 0.000 0.212 232 D C 2.169 178.495 176.300 0.044 0.000 0.968 232 D CA 0.702 54.740 54.000 0.063 0.000 0.882 232 D CB 0.034 40.863 40.800 0.047 0.000 0.918 232 D HN 0.316 nan 8.370 nan 0.000 0.503 233 K N -0.195 120.223 120.400 0.030 0.000 2.418 233 K HA 0.133 4.454 4.320 0.000 0.000 0.195 233 K C 0.712 177.332 176.600 0.035 0.000 1.035 233 K CA 0.083 56.379 56.287 0.015 0.000 1.003 233 K CB 0.640 33.129 32.500 -0.019 0.000 0.793 233 K HN 0.150 nan 8.250 nan 0.000 0.494 234 I N 1.493 122.102 120.570 0.066 0.000 2.519 234 I HA 0.052 4.222 4.170 0.000 0.000 0.287 234 I C 0.141 176.297 176.117 0.065 0.000 1.047 234 I CA -0.021 61.327 61.300 0.080 0.000 1.381 234 I CB 0.884 38.963 38.000 0.131 0.000 1.417 234 I HN 0.075 nan 8.210 nan 0.000 0.540 235 E N 6.622 126.856 120.200 0.057 0.000 2.409 235 E HA 0.312 4.662 4.350 0.000 0.000 0.259 235 E C -1.408 175.234 176.600 0.070 0.000 0.932 235 E CA -0.751 55.685 56.400 0.060 0.000 0.809 235 E CB 1.286 31.017 29.700 0.051 0.000 1.341 235 E HN 0.365 nan 8.360 nan 0.000 0.405 236 I N 3.013 123.630 120.570 0.079 0.000 2.529 236 I HA 0.130 4.300 4.170 0.000 0.000 0.284 236 I C 0.533 176.725 176.117 0.125 0.000 1.082 236 I CA 0.225 61.584 61.300 0.099 0.000 1.406 236 I CB 0.929 38.978 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.643 126.934 120.200 0.151 0.000 2.145 237 E HA 0.572 4.922 4.350 0.000 0.000 0.270 237 E C -1.305 175.432 176.600 0.227 0.000 0.906 237 E CA -0.508 55.999 56.400 0.178 0.000 0.761 237 E CB 0.957 30.754 29.700 0.162 0.000 1.116 237 E HN 0.494 nan 8.360 nan 0.000 0.408 238 I N 4.482 125.211 120.570 0.265 0.000 2.406 238 I HA 0.400 4.570 4.170 0.000 0.000 0.290 238 I C -0.838 175.474 176.117 0.325 0.000 0.999 238 I CA -1.047 60.458 61.300 0.341 0.000 1.124 238 I CB 1.869 40.124 38.000 0.425 0.000 1.289 238 I HN 0.276 nan 8.210 nan 0.000 0.441 239 V N 4.536 124.643 119.914 0.323 0.000 2.760 239 V HA 0.402 4.522 4.120 0.000 0.000 0.309 239 V C 0.030 176.283 176.094 0.264 0.000 1.077 239 V CA -0.560 61.899 62.300 0.265 0.000 0.910 239 V CB 2.290 34.243 31.823 0.217 0.000 1.008 239 V HN 0.898 nan 8.190 nan 0.000 0.424 240 S N 3.201 119.031 115.700 0.217 0.000 2.693 240 S HA 0.387 4.857 4.470 0.000 0.000 0.276 240 S C 0.973 175.495 174.600 -0.130 0.000 1.192 240 S CA -0.526 57.635 58.200 -0.065 0.000 0.994 240 S CB 1.295 64.483 63.200 -0.021 0.000 1.012 240 S HN 0.747 nan 8.310 nan 0.000 0.550 241 K N 0.069 120.290 120.400 -0.298 0.000 2.281 241 K HA -0.146 4.174 4.320 0.000 0.000 0.203 241 K C 1.852 178.428 176.600 -0.041 0.000 1.046 241 K CA 1.175 57.347 56.287 -0.192 0.000 0.938 241 K CB -0.754 31.599 32.500 -0.244 0.000 0.737 241 K HN 0.703 nan 8.250 nan 0.000 0.458 242 A N 1.654 124.451 122.820 -0.038 0.000 1.821 242 A HA -0.137 4.183 4.320 0.000 0.000 0.215 242 A C 1.249 178.859 177.584 0.043 0.000 1.214 242 A CA 1.826 53.868 52.037 0.008 0.000 0.608 242 A CB -0.616 18.394 19.000 0.016 0.000 0.862 242 A HN 0.378 nan 8.150 nan 0.000 0.448 243 D N -1.867 118.568 120.400 0.059 0.000 2.338 243 D HA 0.064 4.704 4.640 0.000 0.000 0.239 243 D C 0.972 177.323 176.300 0.085 0.000 1.095 243 D CA 0.249 54.284 54.000 0.057 0.000 0.888 243 D CB -0.142 40.689 40.800 0.051 0.000 0.899 243 D HN 0.587 nan 8.370 nan 0.000 0.525 244 Y N 1.020 121.303 120.300 -0.030 0.000 2.314 244 Y HA 0.110 4.660 4.550 -0.000 0.000 0.294 244 Y C 2.177 178.063 175.900 -0.023 0.000 1.119 244 Y CA 0.901 58.981 58.100 -0.033 0.000 1.179 244 Y CB -0.097 38.315 38.460 -0.081 0.000 1.025 244 Y HN 0.000 nan 8.280 nan 0.000 0.541 245 A N 0.612 123.400 122.820 -0.053 0.000 1.873 245 A HA -0.148 4.172 4.320 0.000 0.000 0.215 245 A C 2.013 179.519 177.584 -0.131 0.000 1.186 245 A CA 1.619 53.582 52.037 -0.123 0.000 0.616 245 A CB -0.520 18.467 19.000 -0.022 0.000 0.823 245 A HN 0.422 nan 8.150 nan 0.000 0.442 246 K N 0.173 120.530 120.400 -0.072 0.000 2.611 246 K HA 0.036 4.356 4.320 0.000 0.000 0.193 246 K C 1.639 178.195 176.600 -0.073 0.000 1.026 246 K CA 0.283 56.535 56.287 -0.058 0.000 1.063 246 K CB -0.389 32.095 32.500 -0.026 0.000 0.839 246 K HN 0.496 nan 8.250 nan 0.000 0.505 247 G N 1.564 110.281 108.800 -0.138 0.000 2.626 247 G HA2 -0.364 3.596 3.960 0.000 0.000 0.224 247 G HA3 -0.364 3.596 3.960 0.000 0.000 0.224 247 G C 1.423 176.282 174.900 -0.070 0.000 1.095 247 G CA 1.365 46.387 45.100 -0.130 0.000 0.738 247 G HN 0.419 nan 8.290 nan 0.000 0.600 248 A N 0.126 122.902 122.820 -0.074 0.000 1.878 248 A HA 0.237 4.557 4.320 0.000 0.000 0.213 248 A C 2.691 180.260 177.584 -0.025 0.000 1.192 248 A CA 1.927 53.939 52.037 -0.041 0.000 0.619 248 A CB -0.258 18.715 19.000 -0.044 0.000 0.837 248 A HN 0.315 nan 8.150 nan 0.000 0.446 249 S N 0.416 116.100 115.700 -0.028 0.000 2.388 249 S HA 0.297 4.767 4.470 0.000 0.000 0.223 249 S C 1.314 175.906 174.600 -0.012 0.000 1.034 249 S CA 0.272 58.461 58.200 -0.018 0.000 0.963 249 S CB -0.591 62.597 63.200 -0.019 0.000 0.827 249 S HN 0.833 nan 8.310 nan 0.000 0.481 250 A N 2.160 124.973 122.820 -0.012 0.000 2.581 250 A HA 0.065 4.385 4.320 0.000 0.000 0.257 250 A C 0.064 177.648 177.584 -0.001 0.000 1.022 250 A CA 0.492 52.526 52.037 -0.004 0.000 0.812 250 A CB -0.637 18.366 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.842 126.060 121.223 -0.007 0.000 2.389 251 L HA 0.168 4.508 4.340 0.000 0.000 0.265 251 L C -0.024 176.837 176.870 -0.015 0.000 1.167 251 L CA -0.395 54.439 54.840 -0.010 0.000 1.045 251 L CB -0.189 41.861 42.059 -0.016 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.156 125.378 121.223 -0.002 0.000 2.578 252 L HA 0.023 4.363 4.340 0.000 0.000 0.279 252 L C -1.997 174.859 176.870 -0.024 0.000 1.227 252 L CA -1.264 53.575 54.840 -0.003 0.000 0.900 252 L CB -0.193 41.886 42.059 0.034 0.000 1.144 252 L HN 0.253 nan 8.230 nan 0.000 0.496 253 P HA 0.377 nan 4.420 nan 0.000 0.282 253 P C -0.722 176.493 177.300 -0.142 0.000 1.259 253 P CA -0.446 62.561 63.100 -0.155 0.000 0.826 253 P CB 1.081 32.606 31.700 -0.291 0.000 1.064 254 I N 1.858 122.310 120.570 -0.197 0.000 2.355 254 I HA 0.310 4.480 4.170 0.000 0.000 0.288 254 I C -0.415 175.612 176.117 -0.150 0.000 0.999 254 I CA -0.721 60.536 61.300 -0.072 0.000 1.163 254 I CB 0.614 38.602 38.000 -0.021 0.000 1.316 254 I HN 0.274 nan 8.210 nan 0.000 0.454 255 Y N 7.338 127.666 120.300 0.046 0.000 2.334 255 Y HA 0.341 4.890 4.550 -0.000 0.000 0.328 255 Y C -1.728 174.182 175.900 0.017 0.000 1.130 255 Y CA -1.919 56.206 58.100 0.042 0.000 1.163 255 Y CB 0.818 39.328 38.460 0.083 0.000 1.207 255 Y HN 0.421 nan 8.280 nan 0.000 0.471 256 P HA 0.089 nan 4.420 nan 0.000 0.259 256 P C 1.463 178.766 177.300 0.006 0.000 1.233 256 P CA 0.544 63.693 63.100 0.082 0.000 0.827 256 P CB 0.582 32.293 31.700 0.017 0.000 1.154 257 G N 0.656 109.458 108.800 0.003 0.000 2.672 257 G HA2 0.099 4.059 3.960 0.000 0.000 0.218 257 G HA3 0.099 4.059 3.960 0.000 0.000 0.218 257 G C 0.821 175.696 174.900 -0.041 0.000 1.238 257 G CA 1.162 46.253 45.100 -0.015 0.000 0.791 257 G HN 0.635 nan 8.290 nan 0.000 0.606 258 G N -3.262 105.493 108.800 -0.074 0.000 2.334 258 G HA2 0.537 4.497 3.960 0.000 0.000 0.315 258 G HA3 0.537 4.497 3.960 0.000 0.000 0.315 258 G C 0.394 175.239 174.900 -0.092 0.000 1.284 258 G CA 0.352 45.392 45.100 -0.101 0.000 0.985 258 G HN 2.203 nan 8.290 nan 0.000 0.504 259 G N -1.978 106.772 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.412 3.960 0.000 0.000 0.337 259 G HA3 0.452 4.412 3.960 0.000 0.000 0.337 259 G C 0.421 175.275 174.900 -0.076 0.000 1.477 259 G CA 0.996 46.057 45.100 -0.065 0.000 0.916 259 G HN 2.800 nan 8.290 nan 0.000 0.550 260 T N -2.544 111.979 114.554 -0.052 0.000 2.773 260 T HA 0.856 5.206 4.350 0.000 0.000 0.278 260 T C -0.180 174.507 174.700 -0.022 0.000 1.011 260 T CA -0.129 61.943 62.100 -0.046 0.000 1.014 260 T CB 2.496 71.337 68.868 -0.045 0.000 1.293 260 T HN 1.436 nan 8.240 nan 0.000 0.554 261 R N -0.233 120.261 120.500 -0.011 0.000 2.647 261 R HA 0.551 4.891 4.340 0.000 0.000 0.260 261 R C -0.909 175.397 176.300 0.009 0.000 1.154 261 R CA -0.544 55.558 56.100 0.002 0.000 1.029 261 R CB 1.422 31.729 30.300 0.011 0.000 1.262 261 R HN 1.157 nan 8.270 nan 0.000 0.437 262 A N 2.896 125.720 122.820 0.008 0.000 2.587 262 A HA 0.106 4.426 4.320 0.000 0.000 0.235 262 A C 0.584 178.182 177.584 0.023 0.000 1.044 262 A CA 0.828 52.871 52.037 0.010 0.000 0.754 262 A CB 0.425 19.428 19.000 0.006 0.000 0.968 262 A HN 0.756 nan 8.150 nan 0.000 0.509 263 S N 0.584 116.300 115.700 0.027 0.000 2.598 263 S HA 0.301 4.771 4.470 0.000 0.000 0.256 263 S C 1.333 175.965 174.600 0.053 0.000 1.350 263 S CA 0.706 58.936 58.200 0.050 0.000 0.984 263 S CB 0.363 63.594 63.200 0.052 0.000 0.930 263 S HN 1.714 nan 8.310 nan 0.000 0.577 264 T N -1.516 113.089 114.554 0.086 0.000 3.131 264 T HA 0.402 4.752 4.350 0.000 0.000 0.283 264 T C 1.557 176.344 174.700 0.145 0.000 0.906 264 T CA 0.712 62.864 62.100 0.087 0.000 0.882 264 T CB -0.644 68.271 68.868 0.079 0.000 1.208 264 T HN 0.747 nan 8.240 nan 0.000 0.561 265 A N 3.036 125.984 122.820 0.213 0.000 1.863 265 A HA -0.212 4.108 4.320 0.000 0.000 0.218 265 A C 2.157 179.996 177.584 0.424 0.000 1.233 265 A CA 2.632 54.913 52.037 0.406 0.000 0.655 265 A CB -1.077 18.170 19.000 0.411 0.000 0.839 265 A HN 0.527 nan 8.150 nan 0.000 0.454 266 K N 0.157 120.597 120.400 0.065 0.000 2.360 266 K HA 0.072 4.392 4.320 0.000 0.000 0.201 266 K C 1.196 177.825 176.600 0.048 0.000 1.046 266 K CA 1.352 57.575 56.287 -0.107 0.000 0.945 266 K CB -0.452 31.761 32.500 -0.478 0.000 0.750 266 K HN 0.407 nan 8.250 nan 0.000 0.464 267 A N -0.330 122.531 122.820 0.067 0.000 2.462 267 A HA 0.301 4.621 4.320 0.000 0.000 0.261 267 A C 0.791 178.402 177.584 0.046 0.000 1.323 267 A CA -0.006 52.058 52.037 0.045 0.000 0.913 267 A CB 0.257 19.270 19.000 0.022 0.000 1.028 267 A HN 0.101 nan 8.150 nan 0.000 0.511 268 V N -2.285 117.676 119.914 0.078 0.000 3.157 268 V HA 0.257 4.377 4.120 0.000 0.000 0.253 268 V C -0.401 175.581 176.094 -0.187 0.000 1.637 268 V CA 0.118 62.371 62.300 -0.078 0.000 1.058 268 V CB -0.027 31.704 31.823 -0.155 0.000 0.917 268 V HN 0.376 nan 8.190 nan 0.000 0.417 269 F N 0.542 120.574 119.950 0.137 0.000 2.443 269 F HA 0.707 5.234 4.527 0.000 0.000 0.335 269 F C 1.302 177.207 175.800 0.176 0.000 1.104 269 F CA 0.272 58.370 58.000 0.164 0.000 1.013 269 F CB 1.773 40.899 39.000 0.211 0.000 1.136 269 F HN -0.009 nan 8.300 nan 0.000 0.470 270 G N 1.350 110.350 108.800 0.334 0.000 2.610 270 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 270 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 270 G C -0.272 174.824 174.900 0.328 0.000 1.243 270 G CA 0.122 45.386 45.100 0.274 0.000 0.847 270 G HN 0.506 nan 8.290 nan 0.000 0.560 271 Y N 3.437 123.848 120.300 0.185 0.000 2.784 271 Y HA 0.407 4.957 4.550 0.000 0.000 0.355 271 Y C 1.043 176.963 175.900 0.033 0.000 1.198 271 Y CA -0.628 57.540 58.100 0.113 0.000 1.588 271 Y CB -0.286 38.237 38.460 0.104 0.000 1.220 271 Y HN 0.186 nan 8.280 nan 0.000 0.517 272 G N 6.466 115.111 108.800 -0.259 0.000 2.616 272 G HA2 0.347 4.307 3.960 0.000 0.000 0.268 272 G HA3 0.347 4.307 3.960 0.000 0.000 0.268 272 G C -2.797 171.577 174.900 -0.877 0.000 1.213 272 G CA -1.730 42.954 45.100 -0.693 0.000 0.926 272 G HN 0.482 nan 8.290 nan 0.000 0.523 273 P HA 0.089 nan 4.420 nan 0.000 0.266 273 P C 0.374 177.366 177.300 -0.512 0.000 1.215 273 P CA -0.025 62.662 63.100 -0.689 0.000 0.763 273 P CB 1.131 32.435 31.700 -0.659 0.000 0.806 274 Q N 1.464 121.010 119.800 -0.423 0.000 1.940 274 Q HA 0.009 4.349 4.340 0.000 0.000 0.200 274 Q C 1.029 176.899 176.000 -0.216 0.000 0.977 274 Q CA 1.350 56.968 55.803 -0.307 0.000 0.841 274 Q CB -1.176 27.410 28.738 -0.253 0.000 0.901 274 Q HN 0.551 nan 8.270 nan 0.000 0.446 275 T N -0.583 113.861 114.554 -0.184 0.000 2.766 275 T HA 0.055 4.405 4.350 0.000 0.000 0.295 275 T C 0.291 174.875 174.700 -0.193 0.000 1.024 275 T CA -0.079 61.931 62.100 -0.150 0.000 1.018 275 T CB 0.437 69.237 68.868 -0.113 0.000 1.002 275 T HN 0.023 nan 8.240 nan 0.000 0.532 276 D N 0.195 120.502 120.400 -0.155 0.000 2.312 276 D HA 0.021 4.661 4.640 0.000 0.000 0.211 276 D C 1.520 177.678 176.300 -0.237 0.000 0.964 276 D CA 0.963 54.858 54.000 -0.177 0.000 0.877 276 D CB -0.075 40.667 40.800 -0.097 0.000 0.924 276 D HN 0.637 nan 8.370 nan 0.000 0.515 277 S N -0.661 114.931 115.700 -0.180 0.000 2.573 277 S HA 0.192 4.662 4.470 0.000 0.000 0.244 277 S C 0.340 174.846 174.600 -0.158 0.000 0.984 277 S CA -0.634 57.498 58.200 -0.112 0.000 1.001 277 S CB 0.090 63.279 63.200 -0.017 0.000 0.788 277 S HN 0.067 nan 8.310 nan 0.000 0.456 278 Q N 0.519 120.107 119.800 -0.353 0.000 2.306 278 Q HA 0.591 4.931 4.340 0.000 0.000 0.265 278 Q C -1.615 174.070 176.000 -0.525 0.000 1.022 278 Q CA -0.675 54.948 55.803 -0.300 0.000 0.853 278 Q CB 1.761 30.335 28.738 -0.272 0.000 1.327 278 Q HN 0.539 nan 8.270 nan 0.000 0.449 279 Y N -0.584 119.582 120.300 -0.223 0.000 2.512 279 Y HA 0.575 5.125 4.550 -0.000 0.000 0.348 279 Y C -0.381 175.400 175.900 -0.198 0.000 0.990 279 Y CA -1.195 56.826 58.100 -0.131 0.000 1.033 279 Y CB 1.925 40.414 38.460 0.049 0.000 1.259 279 Y HN 0.658 nan 8.280 nan 0.000 0.461 280 A N 3.046 125.826 122.820 -0.067 0.000 2.309 280 A HA 0.691 5.011 4.320 0.000 0.000 0.290 280 A C -1.039 176.594 177.584 0.081 0.000 1.206 280 A CA -0.264 51.612 52.037 -0.268 0.000 0.850 280 A CB -0.358 18.364 19.000 -0.463 0.000 1.118 280 A HN 0.586 nan 8.150 nan 0.000 0.523 281 I N 2.928 123.589 120.570 0.151 0.000 2.406 281 I HA 0.405 4.575 4.170 0.000 0.000 0.290 281 I C -0.369 175.949 176.117 0.335 0.000 0.999 281 I CA 0.138 61.599 61.300 0.269 0.000 1.124 281 I CB 1.684 39.841 38.000 0.262 0.000 1.289 281 I HN 0.505 nan 8.210 nan 0.000 0.441 282 I N 6.816 127.554 120.570 0.279 0.000 2.448 282 I HA 0.334 4.504 4.170 0.000 0.000 0.281 282 I C -0.784 175.412 176.117 0.130 0.000 1.027 282 I CA -0.723 60.706 61.300 0.215 0.000 1.111 282 I CB 1.542 39.674 38.000 0.219 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.099 127.062 119.914 0.081 0.000 2.465 283 V HA 0.452 4.572 4.120 0.000 0.000 0.279 283 V C 0.218 176.289 176.094 -0.039 0.000 1.045 283 V CA -0.352 61.966 62.300 0.030 0.000 0.938 283 V CB 1.500 33.328 31.823 0.009 0.000 0.986 283 V HN 0.648 nan 8.190 nan 0.000 0.467 284 R N 3.661 124.151 120.500 -0.017 0.000 2.621 284 R HA 0.643 4.983 4.340 0.000 0.000 0.292 284 R C -0.675 175.612 176.300 -0.021 0.000 0.969 284 R CA -0.846 55.236 56.100 -0.030 0.000 0.887 284 R CB 2.570 32.872 30.300 0.003 0.000 1.180 284 R HN 0.632 nan 8.270 nan 0.000 0.450 285 R N 2.551 123.031 120.500 -0.033 0.000 2.473 285 R HA 0.190 4.530 4.340 0.000 0.000 0.303 285 R C -0.861 175.436 176.300 -0.005 0.000 1.002 285 R CA -0.374 55.725 56.100 -0.002 0.000 0.884 285 R CB 0.609 30.924 30.300 0.026 0.000 1.173 285 R HN 0.685 nan 8.270 nan 0.000 0.464 286 N N 3.828 122.526 118.700 -0.002 0.000 2.783 286 N HA -0.168 4.572 4.740 0.000 0.000 0.247 286 N C -0.928 174.580 175.510 -0.003 0.000 1.089 286 N CA 1.576 54.624 53.050 -0.004 0.000 0.690 286 N CB -0.851 37.632 38.487 -0.006 0.000 0.991 286 N HN 0.957 nan 8.380 nan 0.000 0.552 287 D N -4.122 116.277 120.400 -0.002 0.000 2.837 287 D HA -0.203 4.437 4.640 0.000 0.000 0.195 287 D C 0.335 176.631 176.300 -0.007 0.000 1.033 287 D CA 1.724 55.724 54.000 -0.001 0.000 1.021 287 D CB -1.434 39.366 40.800 -0.000 0.000 1.101 287 D HN 0.753 nan 8.370 nan 0.000 0.431 288 A N 0.428 123.239 122.820 -0.014 0.000 2.366 288 A HA 0.531 4.851 4.320 0.000 0.000 0.272 288 A C 0.536 178.094 177.584 -0.043 0.000 1.135 288 A CA -0.347 51.676 52.037 -0.024 0.000 0.804 288 A CB 0.232 19.220 19.000 -0.021 0.000 1.064 288 A HN 0.109 nan 8.150 nan 0.000 0.499 289 I N 3.935 124.478 120.570 -0.045 0.000 2.268 289 I HA 0.026 4.196 4.170 0.000 0.000 0.298 289 I C 1.342 177.401 176.117 -0.096 0.000 1.185 289 I CA 0.371 61.636 61.300 -0.059 0.000 1.548 289 I CB 0.011 37.980 38.000 -0.052 0.000 1.492 289 I HN 0.443 nan 8.210 nan 0.000 0.711 290 V N 3.247 123.064 119.914 -0.162 0.000 2.490 290 V HA -0.175 3.945 4.120 0.000 0.000 0.250 290 V C 0.981 176.910 176.094 -0.275 0.000 1.061 290 V CA 1.627 63.750 62.300 -0.295 0.000 1.064 290 V CB -0.368 31.070 31.823 -0.642 0.000 0.670 290 V HN 0.879 nan 8.190 nan 0.000 0.461 291 Q N -0.735 118.955 119.800 -0.182 0.000 2.435 291 Q HA 0.487 4.827 4.340 0.000 0.000 0.282 291 Q C -1.307 174.698 176.000 0.010 0.000 1.020 291 Q CA -0.306 55.462 55.803 -0.058 0.000 0.820 291 Q CB 2.368 31.101 28.738 -0.008 0.000 1.436 291 Q HN 0.236 nan 8.270 nan 0.000 0.395 292 S N 1.411 117.134 115.700 0.038 0.000 2.720 292 S HA 0.756 5.226 4.470 0.000 0.000 0.278 292 S C -1.517 173.205 174.600 0.202 0.000 1.172 292 S CA -0.575 57.668 58.200 0.072 0.000 1.019 292 S CB 1.529 64.591 63.200 -0.230 0.000 1.049 292 S HN 0.582 nan 8.310 nan 0.000 0.483 293 V N 2.742 122.867 119.914 0.352 0.000 3.159 293 V HA 0.810 4.930 4.120 0.000 0.000 0.308 293 V C -1.504 174.648 176.094 0.098 0.000 1.190 293 V CA -0.620 61.796 62.300 0.194 0.000 1.037 293 V CB 2.370 34.145 31.823 -0.080 0.000 1.060 293 V HN 0.897 nan 8.190 nan 0.000 0.437 294 V N 5.242 125.108 119.914 -0.079 0.000 2.444 294 V HA 0.596 4.716 4.120 0.000 0.000 0.294 294 V C -0.433 175.511 176.094 -0.249 0.000 1.022 294 V CA -0.328 61.846 62.300 -0.210 0.000 0.850 294 V CB 1.455 33.128 31.823 -0.249 0.000 0.992 294 V HN 0.684 nan 8.190 nan 0.000 0.426 295 L N 2.974 124.054 121.223 -0.238 0.000 2.283 295 L HA 0.746 5.086 4.340 0.000 0.000 0.259 295 L C -0.181 176.580 176.870 -0.182 0.000 1.027 295 L CA -0.567 54.107 54.840 -0.276 0.000 0.828 295 L CB 2.416 44.256 42.059 -0.364 0.000 1.380 295 L HN 0.620 nan 8.230 nan 0.000 0.425 296 S N -1.327 114.284 115.700 -0.148 0.000 2.536 296 S HA 0.388 4.858 4.470 0.000 0.000 0.298 296 S C 0.416 174.996 174.600 -0.034 0.000 1.083 296 S CA -0.076 58.079 58.200 -0.074 0.000 0.995 296 S CB 1.684 64.865 63.200 -0.031 0.000 1.058 296 S HN 0.757 nan 8.310 nan 0.000 0.488 297 T N 0.424 114.953 114.554 -0.042 0.000 3.107 297 T HA 0.300 4.650 4.350 0.000 0.000 0.249 297 T C 0.318 175.103 174.700 0.142 0.000 1.096 297 T CA 0.031 62.138 62.100 0.013 0.000 1.012 297 T CB -0.286 68.497 68.868 -0.142 0.000 0.977 297 T HN 0.471 nan 8.240 nan 0.000 0.527 298 K N 1.707 122.140 120.400 0.056 0.000 2.307 298 K HA 0.403 4.723 4.320 0.000 0.000 0.263 298 K C -0.117 176.336 176.600 -0.245 0.000 0.973 298 K CA -0.855 55.375 56.287 -0.096 0.000 0.846 298 K CB 0.952 33.411 32.500 -0.067 0.000 1.100 298 K HN 0.171 nan 8.250 nan 0.000 0.438 299 R N 1.837 121.976 120.500 -0.602 0.000 2.758 299 R HA -0.012 4.329 4.340 0.000 0.000 0.263 299 R C 1.005 177.155 176.300 -0.251 0.000 1.010 299 R CA 1.426 57.115 56.100 -0.684 0.000 1.114 299 R CB 0.191 30.103 30.300 -0.646 0.000 0.985 299 R HN 1.061 nan 8.270 nan 0.000 0.439 300 G N 1.119 109.837 108.800 -0.136 0.000 2.900 300 G HA2 -0.307 3.653 3.960 0.000 0.000 0.223 300 G HA3 -0.307 3.653 3.960 0.000 0.000 0.223 300 G C 0.591 175.480 174.900 -0.018 0.000 1.293 300 G CA -0.153 44.913 45.100 -0.057 0.000 0.792 300 G HN 0.971 nan 8.290 nan 0.000 0.527 301 G N 1.210 109.994 108.800 -0.027 0.000 2.257 301 G HA2 0.365 4.325 3.960 0.000 0.000 0.235 301 G HA3 0.365 4.325 3.960 0.000 0.000 0.235 301 G C 0.053 174.963 174.900 0.017 0.000 1.225 301 G CA 1.233 46.328 45.100 -0.008 0.000 0.878 301 G HN 0.814 nan 8.290 nan 0.000 0.505 302 K N 0.969 121.384 120.400 0.025 0.000 2.444 302 K HA 0.357 4.677 4.320 0.000 0.000 0.252 302 K C -0.376 176.269 176.600 0.075 0.000 0.993 302 K CA -0.986 55.328 56.287 0.046 0.000 0.847 302 K CB 1.673 34.202 32.500 0.048 0.000 1.340 302 K HN 0.617 nan 8.250 nan 0.000 0.446 303 D N 0.439 120.901 120.400 0.103 0.000 2.376 303 D HA 0.022 4.662 4.640 0.000 0.000 0.268 303 D C 1.050 177.442 176.300 0.154 0.000 1.252 303 D CA -0.340 53.767 54.000 0.177 0.000 1.041 303 D CB 0.133 41.014 40.800 0.134 0.000 1.109 303 D HN 0.567 nan 8.370 nan 0.000 0.552 304 I N -3.296 117.331 120.570 0.095 0.000 3.551 304 I HA 0.065 4.235 4.170 0.000 0.000 0.307 304 I C -0.036 175.922 176.117 -0.264 0.000 1.215 304 I CA 0.123 61.370 61.300 -0.088 0.000 1.195 304 I CB -1.045 36.780 38.000 -0.292 0.000 0.998 304 I HN 0.188 nan 8.210 nan 0.000 0.510 305 Y N -0.029 120.226 120.300 -0.076 0.000 2.767 305 Y HA 0.190 4.740 4.550 -0.000 0.000 0.254 305 Y C 0.083 175.968 175.900 -0.025 0.000 1.133 305 Y CA -0.769 57.300 58.100 -0.053 0.000 1.225 305 Y CB 0.335 38.758 38.460 -0.061 0.000 1.312 305 Y HN 0.179 nan 8.280 nan 0.000 0.560 306 D N 0.377 120.840 120.400 0.105 0.000 2.911 306 D HA -0.174 4.466 4.640 0.000 0.000 0.227 306 D C -0.456 175.890 176.300 0.077 0.000 1.164 306 D CA 1.140 55.181 54.000 0.069 0.000 0.782 306 D CB -1.124 39.701 40.800 0.042 0.000 1.094 306 D HN 0.093 nan 8.370 nan 0.000 0.425 307 S N 0.393 116.150 115.700 0.095 0.000 2.416 307 S HA 0.176 4.646 4.470 0.000 0.000 0.287 307 S C 0.397 175.033 174.600 0.060 0.000 1.139 307 S CA -0.760 57.482 58.200 0.069 0.000 1.058 307 S CB 0.859 64.088 63.200 0.048 0.000 0.967 307 S HN 0.329 nan 8.310 nan 0.000 0.495 308 N N 3.513 122.252 118.700 0.064 0.000 2.394 308 N HA -0.063 4.677 4.740 0.000 0.000 0.282 308 N C 0.471 176.027 175.510 0.077 0.000 1.351 308 N CA 0.047 53.141 53.050 0.074 0.000 0.936 308 N CB -0.185 38.354 38.487 0.086 0.000 1.274 308 N HN 0.711 nan 8.380 nan 0.000 0.489 309 I N 0.613 121.206 120.570 0.038 0.000 3.874 309 I HA 0.239 4.409 4.170 0.000 0.000 0.331 309 I C -0.261 175.838 176.117 -0.029 0.000 1.489 309 I CA -0.921 60.346 61.300 -0.056 0.000 1.187 309 I CB -0.459 37.467 38.000 -0.122 0.000 1.150 309 I HN 0.262 nan 8.210 nan 0.000 0.412 310 Y N 2.477 122.739 120.300 -0.064 0.000 2.496 310 Y HA 0.276 4.826 4.550 -0.000 0.000 0.334 310 Y C 1.178 177.054 175.900 -0.039 0.000 1.080 310 Y CA -0.821 57.241 58.100 -0.063 0.000 1.355 310 Y CB 0.511 38.953 38.460 -0.030 0.000 1.193 310 Y HN 0.212 nan 8.280 nan 0.000 0.523 311 I N 3.808 124.095 120.570 -0.473 0.000 2.195 311 I HA -0.516 3.654 4.170 0.000 0.000 0.232 311 I C 2.063 177.972 176.117 -0.346 0.000 0.986 311 I CA 2.140 63.223 61.300 -0.362 0.000 1.283 311 I CB -0.280 37.544 38.000 -0.292 0.000 0.990 311 I HN 0.673 nan 8.210 nan 0.000 0.390 312 D N 0.520 120.486 120.400 -0.723 0.000 2.191 312 D HA -0.216 4.424 4.640 0.000 0.000 0.195 312 D C 1.705 177.897 176.300 -0.181 0.000 1.003 312 D CA 1.858 55.635 54.000 -0.372 0.000 0.867 312 D CB -0.283 40.322 40.800 -0.326 0.000 0.926 312 D HN 0.456 nan 8.370 nan 0.000 0.450 313 D N -0.303 119.990 120.400 -0.177 0.000 2.120 313 D HA -0.089 4.551 4.640 0.000 0.000 0.202 313 D C 1.824 178.099 176.300 -0.041 0.000 0.972 313 D CA 0.120 54.117 54.000 -0.004 0.000 0.837 313 D CB -0.666 40.205 40.800 0.118 0.000 0.989 313 D HN 0.150 nan 8.370 nan 0.000 0.469 314 F N 1.254 121.057 119.950 -0.244 0.000 2.063 314 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 314 F C 1.947 177.502 175.800 -0.409 0.000 1.105 314 F CA 1.622 59.403 58.000 -0.366 0.000 1.215 314 F CB -0.560 38.097 39.000 -0.572 0.000 0.972 314 F HN -0.132 nan 8.300 nan 0.000 0.483 315 F N 0.306 120.053 119.950 -0.338 0.000 2.325 315 F HA 0.094 4.621 4.527 0.000 0.000 0.299 315 F C 2.533 178.117 175.800 -0.359 0.000 1.090 315 F CA 0.840 58.506 58.000 -0.557 0.000 1.392 315 F CB -1.465 36.971 39.000 -0.940 0.000 1.053 315 F HN 0.073 nan 8.300 nan 0.000 0.521 316 A N -0.025 122.753 122.820 -0.070 0.000 2.131 316 A HA -0.151 4.169 4.320 0.000 0.000 0.220 316 A C 1.037 178.647 177.584 0.043 0.000 1.158 316 A CA 1.150 53.229 52.037 0.070 0.000 0.665 316 A CB -0.676 18.361 19.000 0.061 0.000 0.795 316 A HN 0.345 nan 8.150 nan 0.000 0.460 317 K N -0.823 119.540 120.400 -0.061 0.000 2.679 317 K HA 0.406 4.726 4.320 0.000 0.000 0.188 317 K C 0.485 177.002 176.600 -0.137 0.000 1.055 317 K CA 0.010 56.255 56.287 -0.070 0.000 1.006 317 K CB 0.555 33.013 32.500 -0.070 0.000 1.317 317 K HN 0.329 nan 8.250 nan 0.000 0.584 318 G N 1.389 110.145 108.800 -0.072 0.000 2.449 318 G HA2 -0.334 3.626 3.960 0.000 0.000 0.304 318 G HA3 -0.334 3.626 3.960 0.000 0.000 0.304 318 G C 0.899 175.671 174.900 -0.214 0.000 0.962 318 G CA 0.646 45.697 45.100 -0.081 0.000 0.943 318 G HN 0.726 nan 8.290 nan 0.000 0.514 319 G N -1.136 107.389 108.800 -0.457 0.000 2.432 319 G HA2 0.251 4.211 3.960 0.000 0.000 0.219 319 G HA3 0.251 4.211 3.960 0.000 0.000 0.219 319 G C 0.734 175.276 174.900 -0.596 0.000 1.135 319 G CA 1.425 45.898 45.100 -1.045 0.000 0.767 319 G HN 1.288 nan 8.290 nan 0.000 0.550 320 S N -1.435 114.171 115.700 -0.156 0.000 2.546 320 S HA 0.351 4.821 4.470 0.000 0.000 0.272 320 S C 0.293 174.990 174.600 0.162 0.000 1.140 320 S CA -0.582 57.708 58.200 0.150 0.000 0.920 320 S CB 1.797 65.258 63.200 0.436 0.000 1.083 320 S HN 0.247 nan 8.310 nan 0.000 0.476 321 E N 2.125 122.441 120.200 0.193 0.000 2.358 321 E HA -0.043 4.307 4.350 0.000 0.000 0.195 321 E C 0.159 176.673 176.600 -0.143 0.000 1.010 321 E CA 1.017 57.412 56.400 -0.009 0.000 0.856 321 E CB 0.176 29.796 29.700 -0.133 0.000 0.795 321 E HN 0.768 nan 8.360 nan 0.000 0.504 322 Y N -0.373 119.987 120.300 0.100 0.000 2.506 322 Y HA 0.204 4.754 4.550 -0.000 0.000 0.287 322 Y C 1.431 177.364 175.900 0.054 0.000 1.147 322 Y CA -0.334 57.840 58.100 0.124 0.000 1.241 322 Y CB 0.539 39.090 38.460 0.151 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.699 117.018 120.570 0.244 0.000 3.436 323 I HA 0.652 4.822 4.170 0.000 0.000 0.300 323 I C -1.636 174.457 176.117 -0.040 0.000 1.131 323 I CA -1.086 60.268 61.300 0.091 0.000 1.001 323 I CB 2.889 40.946 38.000 0.094 0.000 1.305 323 I HN -0.057 nan 8.210 nan 0.000 0.494 324 F N 1.045 120.714 119.950 -0.469 0.000 2.622 324 F HA 0.777 5.304 4.527 -0.000 0.000 0.318 324 F C -0.908 174.440 175.800 -0.753 0.000 1.135 324 F CA -0.140 57.403 58.000 -0.762 0.000 1.015 324 F CB 1.825 40.596 39.000 -0.380 0.000 1.275 324 F HN 0.927 nan 8.300 nan 0.000 0.457 325 A N 2.532 124.636 122.820 -1.194 0.000 2.552 325 A HA 0.883 5.203 4.320 0.000 0.000 0.288 325 A C -1.258 176.232 177.584 -0.157 0.000 1.193 325 A CA -0.632 51.151 52.037 -0.423 0.000 0.713 325 A CB 1.961 20.825 19.000 -0.227 0.000 1.305 325 A HN 0.734 nan 8.150 nan 0.000 0.424 326 T N -1.126 113.473 114.554 0.075 0.000 3.105 326 T HA 0.520 4.870 4.350 0.000 0.000 0.321 326 T C 0.653 175.457 174.700 0.173 0.000 1.135 326 T CA 0.442 62.599 62.100 0.094 0.000 1.053 326 T CB 1.281 70.233 68.868 0.139 0.000 1.133 326 T HN 1.767 nan 8.240 nan 0.000 0.463 327 A N 3.326 126.188 122.820 0.069 0.000 2.125 327 A HA 0.065 4.385 4.320 0.000 0.000 0.219 327 A C 1.194 178.895 177.584 0.195 0.000 1.156 327 A CA 0.913 53.011 52.037 0.103 0.000 0.671 327 A CB -0.573 18.490 19.000 0.105 0.000 0.794 327 A HN 0.800 nan 8.150 nan 0.000 0.459 328 Q N 0.224 120.122 119.800 0.163 0.000 2.274 328 Q HA 0.082 4.422 4.340 0.000 0.000 0.280 328 Q C 0.033 176.093 176.000 0.100 0.000 1.047 328 Q CA 0.453 56.334 55.803 0.129 0.000 0.907 328 Q CB 0.042 28.848 28.738 0.112 0.000 1.171 328 Q HN 0.470 nan 8.270 nan 0.000 0.381 329 N N 1.988 120.736 118.700 0.079 0.000 2.713 329 N HA -0.233 4.507 4.740 0.000 0.000 0.251 329 N C -1.395 174.125 175.510 0.017 0.000 1.117 329 N CA 0.851 53.917 53.050 0.026 0.000 0.770 329 N CB -1.019 37.441 38.487 -0.045 0.000 1.137 329 N HN 0.677 nan 8.380 nan 0.000 0.566 330 W N 2.888 124.114 121.300 -0.123 0.000 2.489 330 W HA 0.169 4.829 4.660 -0.000 0.000 0.327 330 W C -2.015 174.417 176.519 -0.145 0.000 1.436 330 W CA -1.168 56.055 57.345 -0.203 0.000 1.315 330 W CB -0.131 29.201 29.460 -0.214 0.000 1.373 330 W HN 0.034 nan 8.180 nan 0.000 0.557 331 P HA -0.068 nan 4.420 nan 0.000 0.264 331 P C -0.458 177.035 177.300 0.321 0.000 1.193 331 P CA 0.740 63.899 63.100 0.098 0.000 0.763 331 P CB 0.454 32.202 31.700 0.079 0.000 0.810 332 E N 1.870 122.240 120.200 0.284 0.000 2.415 332 E HA 0.186 4.536 4.350 0.000 0.000 0.263 332 E C 1.261 178.082 176.600 0.369 0.000 0.995 332 E CA 0.577 57.176 56.400 0.333 0.000 0.915 332 E CB -0.059 29.766 29.700 0.209 0.000 0.951 332 E HN 0.758 nan 8.360 nan 0.000 0.449 333 G N 3.685 112.783 108.800 0.497 0.000 2.212 333 G HA2 -0.340 3.620 3.960 0.000 0.000 0.267 333 G HA3 -0.340 3.620 3.960 0.000 0.000 0.267 333 G C 0.074 175.236 174.900 0.436 0.000 1.002 333 G CA 0.346 45.690 45.100 0.407 0.000 0.729 333 G HN 0.579 nan 8.290 nan 0.000 0.517 334 F N 1.741 121.911 119.950 0.367 0.000 2.572 334 F HA 0.476 5.003 4.527 -0.000 0.000 0.370 334 F C 0.459 176.404 175.800 0.241 0.000 1.103 334 F CA 0.768 58.868 58.000 0.167 0.000 1.286 334 F CB 0.741 39.684 39.000 -0.095 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.329 118.726 115.700 -0.505 0.000 2.548 335 S HA 0.846 5.316 4.470 0.000 0.000 0.276 335 S C -0.278 173.978 174.600 -0.572 0.000 1.129 335 S CA -0.224 57.818 58.200 -0.262 0.000 0.931 335 S CB 1.565 64.758 63.200 -0.011 0.000 1.068 335 S HN 1.231 nan 8.310 nan 0.000 0.480 336 G N 1.441 110.127 108.800 -0.190 0.000 2.321 336 G HA2 0.414 4.374 3.960 0.000 0.000 0.296 336 G HA3 0.414 4.374 3.960 0.000 0.000 0.296 336 G C -2.345 172.692 174.900 0.228 0.000 1.287 336 G CA -0.702 44.412 45.100 0.023 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.311 122.044 120.570 0.272 0.000 2.355 337 I HA 0.434 4.604 4.170 0.000 0.000 0.288 337 I C 0.099 176.381 176.117 0.275 0.000 0.999 337 I CA -0.735 60.699 61.300 0.222 0.000 1.163 337 I CB 0.846 38.928 38.000 0.137 0.000 1.316 337 I HN 0.323 nan 8.210 nan 0.000 0.454 338 L N 5.750 127.090 121.223 0.196 0.000 2.292 338 L HA 0.396 4.736 4.340 0.000 0.000 0.284 338 L C 0.321 177.249 176.870 0.098 0.000 1.065 338 L CA -0.179 54.740 54.840 0.132 0.000 0.806 338 L CB 1.229 43.298 42.059 0.018 0.000 1.175 338 L HN 0.523 nan 8.230 nan 0.000 0.431 339 T N 4.836 119.445 114.554 0.092 0.000 2.821 339 T HA 0.432 4.782 4.350 0.000 0.000 0.307 339 T C 0.092 174.821 174.700 0.049 0.000 1.034 339 T CA -0.461 61.679 62.100 0.066 0.000 0.953 339 T CB 0.337 69.242 68.868 0.062 0.000 0.968 339 T HN 0.276 nan 8.240 nan 0.000 0.462 340 L N 3.610 124.862 121.223 0.049 0.000 2.397 340 L HA 0.594 4.934 4.340 0.000 0.000 0.271 340 L C 0.621 177.519 176.870 0.047 0.000 1.148 340 L CA -0.141 54.728 54.840 0.048 0.000 0.825 340 L CB 0.530 42.627 42.059 0.064 0.000 1.117 340 L HN 0.745 nan 8.230 nan 0.000 0.456 341 S N -0.443 115.283 115.700 0.044 0.000 2.656 341 S HA 0.601 5.071 4.470 0.000 0.000 0.265 341 S C 0.254 174.877 174.600 0.038 0.000 1.132 341 S CA -0.287 57.937 58.200 0.041 0.000 0.819 341 S CB 1.300 64.520 63.200 0.033 0.000 1.119 341 S HN 1.046 nan 8.310 nan 0.000 0.476 342 G N -0.132 108.691 108.800 0.038 0.000 2.189 342 G HA2 -0.041 3.919 3.960 0.000 0.000 0.267 342 G HA3 -0.041 3.919 3.960 0.000 0.000 0.267 342 G C 0.748 175.671 174.900 0.039 0.000 0.975 342 G CA 0.440 45.560 45.100 0.033 0.000 0.644 342 G HN 1.808 nan 8.290 nan 0.000 0.537 343 G N -0.366 108.467 108.800 0.054 0.000 2.321 343 G HA2 0.467 4.427 3.960 0.000 0.000 0.237 343 G HA3 0.467 4.427 3.960 0.000 0.000 0.237 343 G C -0.121 174.820 174.900 0.068 0.000 1.282 343 G CA 0.452 45.596 45.100 0.074 0.000 0.886 343 G HN 1.120 nan 8.290 nan 0.000 0.528 344 L N 3.039 124.301 121.223 0.065 0.000 2.727 344 L HA 0.254 4.594 4.340 0.000 0.000 0.255 344 L C 0.514 177.411 176.870 0.046 0.000 0.983 344 L CA -0.491 54.379 54.840 0.051 0.000 0.945 344 L CB 0.958 43.035 42.059 0.030 0.000 1.242 344 L HN 0.796 nan 8.230 nan 0.000 0.449 345 S N 2.710 118.451 115.700 0.068 0.000 2.608 345 S HA 0.637 5.107 4.470 0.000 0.000 0.261 345 S C 0.245 174.860 174.600 0.025 0.000 1.314 345 S CA 0.242 58.470 58.200 0.048 0.000 0.992 345 S CB 1.502 64.751 63.200 0.081 0.000 0.935 345 S HN 0.846 nan 8.310 nan 0.000 0.564 346 S N 0.651 116.353 115.700 0.003 0.000 2.417 346 S HA 0.308 4.778 4.470 0.000 0.000 0.189 346 S C -0.456 174.129 174.600 -0.025 0.000 1.005 346 S CA -1.005 57.193 58.200 -0.003 0.000 1.116 346 S CB -0.389 62.812 63.200 0.001 0.000 1.343 346 S HN 0.693 nan 8.310 nan 0.000 0.406 347 N N 1.730 120.410 118.700 -0.035 0.000 2.515 347 N HA 0.078 4.818 4.740 0.000 0.000 0.191 347 N C 1.670 177.160 175.510 -0.033 0.000 1.182 347 N CA 0.688 53.699 53.050 -0.065 0.000 0.879 347 N CB -0.138 38.300 38.487 -0.082 0.000 0.984 347 N HN 0.764 nan 8.380 nan 0.000 0.453 348 A N 2.494 125.305 122.820 -0.014 0.000 2.021 348 A HA -0.208 4.112 4.320 0.000 0.000 0.206 348 A C 0.953 178.535 177.584 -0.003 0.000 1.210 348 A CA 1.448 53.484 52.037 -0.002 0.000 0.733 348 A CB -0.589 18.413 19.000 0.003 0.000 0.839 348 A HN 0.364 nan 8.150 nan 0.000 0.495 349 E N -0.056 120.144 120.200 -0.001 0.000 2.427 349 E HA 0.468 4.818 4.350 0.000 0.000 0.259 349 E C -0.913 175.687 176.600 0.001 0.000 1.267 349 E CA -0.427 55.975 56.400 0.004 0.000 1.425 349 E CB -0.119 29.586 29.700 0.009 0.000 1.482 349 E HN 0.059 nan 8.360 nan 0.000 0.460 350 V N 1.886 121.792 119.914 -0.013 0.000 2.403 350 V HA 0.025 4.145 4.120 0.000 0.000 0.265 350 V C 0.787 176.885 176.094 0.007 0.000 1.034 350 V CA 0.114 62.403 62.300 -0.018 0.000 1.036 350 V CB 0.588 32.366 31.823 -0.075 0.000 1.032 350 V HN 0.616 nan 8.190 nan 0.000 0.478 351 T N 5.020 119.590 114.554 0.027 0.000 2.903 351 T HA 0.276 4.626 4.350 0.000 0.000 0.314 351 T C 1.486 176.223 174.700 0.061 0.000 1.078 351 T CA 0.237 62.362 62.100 0.042 0.000 1.114 351 T CB 1.127 70.021 68.868 0.043 0.000 0.987 351 T HN 0.852 nan 8.240 nan 0.000 0.548 352 A N 4.227 127.092 122.820 0.075 0.000 1.903 352 A HA -0.050 4.270 4.320 0.000 0.000 0.219 352 A C 2.516 180.178 177.584 0.130 0.000 1.191 352 A CA 2.565 54.668 52.037 0.109 0.000 0.638 352 A CB -1.673 17.393 19.000 0.111 0.000 0.823 352 A HN 1.101 nan 8.150 nan 0.000 0.451 353 G N -0.210 108.652 108.800 0.104 0.000 2.440 353 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 353 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 353 G C 0.994 175.980 174.900 0.143 0.000 1.154 353 G CA 1.390 46.556 45.100 0.109 0.000 0.767 353 G HN 0.565 nan 8.290 nan 0.000 0.552 354 D N 0.181 120.655 120.400 0.123 0.000 2.228 354 D HA -0.086 4.554 4.640 0.000 0.000 0.203 354 D C 2.362 178.753 176.300 0.153 0.000 0.988 354 D CA 0.425 54.519 54.000 0.158 0.000 0.864 354 D CB -0.095 40.770 40.800 0.108 0.000 0.928 354 D HN 0.339 nan 8.370 nan 0.000 0.469 355 L N -0.531 120.766 121.223 0.122 0.000 2.068 355 L HA -0.032 4.308 4.340 0.000 0.000 0.204 355 L C 2.240 179.283 176.870 0.289 0.000 1.076 355 L CA 0.737 55.642 54.840 0.109 0.000 0.753 355 L CB -0.185 41.979 42.059 0.175 0.000 0.910 355 L HN 0.059 nan 8.230 nan 0.000 0.439 356 M N -0.852 118.980 119.600 0.386 0.000 2.159 356 M HA -0.209 4.271 4.480 0.000 0.000 0.263 356 M C 2.035 178.629 176.300 0.489 0.000 1.063 356 M CA 1.567 57.195 55.300 0.548 0.000 1.110 356 M CB -0.355 32.493 32.600 0.413 0.000 1.374 356 M HN 0.162 nan 8.290 nan 0.000 0.411 357 E N 0.446 120.859 120.200 0.356 0.000 2.085 357 E HA -0.216 4.134 4.350 0.000 0.000 0.194 357 E C 2.086 178.998 176.600 0.521 0.000 0.994 357 E CA 1.389 58.010 56.400 0.367 0.000 0.801 357 E CB -0.100 29.770 29.700 0.283 0.000 0.743 357 E HN 0.541 nan 8.360 nan 0.000 0.453 358 A N 0.654 123.729 122.820 0.424 0.000 1.832 358 A HA -0.176 4.144 4.320 0.000 0.000 0.214 358 A C 1.818 179.539 177.584 0.228 0.000 1.200 358 A CA 1.200 53.320 52.037 0.139 0.000 0.610 358 A CB -1.306 17.501 19.000 -0.321 0.000 0.842 358 A HN 0.402 nan 8.150 nan 0.000 0.444 359 W N 0.469 121.942 121.300 0.288 0.000 2.308 359 W HA -0.242 4.418 4.660 0.000 0.000 0.301 359 W C 1.608 178.403 176.519 0.460 0.000 1.220 359 W CA 1.126 58.715 57.345 0.407 0.000 1.240 359 W CB -0.271 29.364 29.460 0.293 0.000 1.142 359 W HN 0.375 nan 8.180 nan 0.000 0.521 360 D N -0.688 120.087 120.400 0.626 0.000 2.271 360 D HA -0.190 4.450 4.640 0.000 0.000 0.207 360 D C 1.525 178.023 176.300 0.330 0.000 0.983 360 D CA 1.163 55.431 54.000 0.447 0.000 0.878 360 D CB -0.813 40.200 40.800 0.355 0.000 0.920 360 D HN 0.182 nan 8.370 nan 0.000 0.479 361 F N -0.960 118.995 119.950 0.008 0.000 2.583 361 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 361 F C 1.153 176.744 175.800 -0.348 0.000 1.131 361 F CA 0.349 58.200 58.000 -0.249 0.000 1.467 361 F CB -0.080 38.642 39.000 -0.463 0.000 1.097 361 F HN -0.035 nan 8.300 nan 0.000 0.586 362 F N -1.395 118.758 119.950 0.339 0.000 2.682 362 F HA 0.316 4.843 4.527 0.000 0.000 0.308 362 F C 1.657 177.616 175.800 0.264 0.000 1.093 362 F CA -0.129 58.046 58.000 0.292 0.000 1.244 362 F CB -0.397 38.814 39.000 0.351 0.000 1.052 362 F HN -0.190 nan 8.300 nan 0.000 0.573 363 A N 0.746 123.765 122.820 0.331 0.000 2.416 363 A HA 0.278 4.598 4.320 0.000 0.000 0.252 363 A C -0.657 176.999 177.584 0.119 0.000 1.353 363 A CA 0.080 52.243 52.037 0.211 0.000 0.996 363 A CB -1.398 17.699 19.000 0.162 0.000 0.961 363 A HN 0.255 nan 8.150 nan 0.000 0.523 364 D N -2.455 118.022 120.400 0.128 0.000 2.591 364 D HA 0.252 4.892 4.640 0.000 0.000 0.222 364 D C 0.232 176.583 176.300 0.086 0.000 1.360 364 D CA -0.700 53.345 54.000 0.074 0.000 0.967 364 D CB 0.255 41.077 40.800 0.038 0.000 1.456 364 D HN 0.024 nan 8.370 nan 0.000 0.588 365 R N 0.956 121.500 120.500 0.074 0.000 2.200 365 R HA -0.108 4.232 4.340 0.000 0.000 0.234 365 R C 1.179 177.515 176.300 0.060 0.000 1.127 365 R CA 1.217 57.362 56.100 0.076 0.000 0.989 365 R CB -0.115 30.219 30.300 0.057 0.000 0.869 365 R HN 0.550 nan 8.270 nan 0.000 0.459 366 E N -0.175 120.051 120.200 0.044 0.000 2.209 366 E HA -0.143 4.207 4.350 0.000 0.000 0.196 366 E C 1.300 177.922 176.600 0.036 0.000 0.993 366 E CA 1.535 57.954 56.400 0.032 0.000 0.819 366 E CB 0.168 29.879 29.700 0.019 0.000 0.745 366 E HN 0.337 nan 8.360 nan 0.000 0.477 367 S N -0.532 115.196 115.700 0.047 0.000 2.641 367 S HA 0.076 4.546 4.470 0.000 0.000 0.239 367 S C 0.440 175.082 174.600 0.071 0.000 1.081 367 S CA -0.056 58.171 58.200 0.045 0.000 0.904 367 S CB 0.984 64.201 63.200 0.028 0.000 0.803 367 S HN 0.100 nan 8.310 nan 0.000 0.510 368 V N 2.199 122.179 119.914 0.110 0.000 2.482 368 V HA 0.499 4.619 4.120 0.000 0.000 0.295 368 V C -1.718 174.474 176.094 0.163 0.000 1.026 368 V CA -1.277 61.112 62.300 0.149 0.000 0.856 368 V CB 1.646 33.601 31.823 0.221 0.000 1.001 368 V HN 0.307 nan 8.190 nan 0.000 0.424 369 D N 4.632 125.109 120.400 0.128 0.000 2.435 369 D HA 0.283 4.923 4.640 0.000 0.000 0.230 369 D C 0.246 176.617 176.300 0.118 0.000 1.215 369 D CA -0.118 53.951 54.000 0.115 0.000 0.947 369 D CB 1.482 42.334 40.800 0.087 0.000 1.048 369 D HN 0.745 nan 8.370 nan 0.000 0.512 370 V N -0.344 119.653 119.914 0.139 0.000 2.407 370 V HA 0.277 4.397 4.120 0.000 0.000 0.291 370 V C 0.560 176.727 176.094 0.122 0.000 1.018 370 V CA -0.783 61.566 62.300 0.082 0.000 0.842 370 V CB 1.670 33.479 31.823 -0.024 0.000 0.996 370 V HN 0.053 nan 8.190 nan 0.000 0.426 371 Q N 3.960 123.816 119.800 0.094 0.000 2.123 371 Q HA 0.391 4.731 4.340 0.000 0.000 0.196 371 Q C 0.212 176.312 176.000 0.167 0.000 0.958 371 Q CA 1.445 57.324 55.803 0.127 0.000 0.841 371 Q CB -0.005 28.793 28.738 0.099 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.880 120.413 121.223 0.116 0.000 2.319 372 L HA 0.483 4.823 4.340 0.000 0.000 0.267 372 L C -0.945 175.974 176.870 0.082 0.000 1.011 372 L CA -0.723 54.201 54.840 0.141 0.000 0.818 372 L CB 1.496 43.620 42.059 0.107 0.000 1.316 372 L HN -0.039 nan 8.230 nan 0.000 0.432 373 F N 1.847 121.744 119.950 -0.088 0.000 2.513 373 F HA 0.445 4.972 4.527 -0.000 0.000 0.358 373 F C -0.040 175.680 175.800 -0.134 0.000 1.118 373 F CA -0.399 57.505 58.000 -0.160 0.000 1.037 373 F CB 1.254 40.121 39.000 -0.221 0.000 1.276 373 F HN 0.191 nan 8.300 nan 0.000 0.446 374 I N 3.920 124.472 120.570 -0.029 0.000 2.436 374 I HA 0.163 4.333 4.170 0.000 0.000 0.289 374 I C 0.781 176.952 176.117 0.089 0.000 1.083 374 I CA 0.452 61.769 61.300 0.027 0.000 1.372 374 I CB 1.061 39.053 38.000 -0.014 0.000 1.408 374 I HN 0.779 nan 8.210 nan 0.000 0.516 375 A N 4.883 127.714 122.820 0.018 0.000 2.066 375 A HA 0.242 4.562 4.320 0.000 0.000 0.198 375 A C 2.072 179.669 177.584 0.022 0.000 1.405 375 A CA 0.560 52.575 52.037 -0.037 0.000 0.973 375 A CB -0.381 18.528 19.000 -0.151 0.000 1.026 375 A HN 0.711 nan 8.150 nan 0.000 0.474 376 G N 1.210 110.002 108.800 -0.014 0.000 2.527 376 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 376 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 376 G C 1.569 176.464 174.900 -0.008 0.000 1.117 376 G CA 1.611 46.685 45.100 -0.042 0.000 0.759 376 G HN 0.907 nan 8.290 nan 0.000 0.556 377 S N -0.594 115.111 115.700 0.008 0.000 2.488 377 S HA -0.160 4.310 4.470 0.000 0.000 0.246 377 S C 1.760 176.211 174.600 -0.248 0.000 0.992 377 S CA 1.156 59.284 58.200 -0.120 0.000 0.963 377 S CB -0.749 62.424 63.200 -0.044 0.000 0.754 377 S HN 0.379 nan 8.310 nan 0.000 0.519 378 C N 1.223 120.516 119.300 -0.011 0.000 2.791 378 C HA 0.659 5.119 4.460 0.000 0.000 0.270 378 C C 2.817 177.835 174.990 0.046 0.000 1.257 378 C CA -0.640 58.409 59.018 0.052 0.000 1.699 378 C CB -1.604 26.246 27.740 0.184 0.000 1.904 378 C HN 0.720 nan 8.230 nan 0.000 0.603 379 A N 1.980 124.843 122.820 0.072 0.000 1.940 379 A HA -0.153 4.167 4.320 0.000 0.000 0.221 379 A C 2.346 179.958 177.584 0.047 0.000 1.190 379 A CA 2.517 54.675 52.037 0.201 0.000 0.647 379 A CB -1.186 18.242 19.000 0.714 0.000 0.821 379 A HN 0.570 nan 8.150 nan 0.000 0.457 380 G N -1.108 107.681 108.800 -0.019 0.000 2.464 380 G HA2 0.099 4.059 3.960 0.000 0.000 0.217 380 G HA3 0.099 4.059 3.960 0.000 0.000 0.217 380 G C 0.792 175.678 174.900 -0.022 0.000 1.138 380 G CA 0.755 45.813 45.100 -0.070 0.000 0.793 380 G HN 0.547 nan 8.290 nan 0.000 0.539 381 E N 0.900 121.117 120.200 0.027 0.000 2.455 381 E HA 0.266 4.616 4.350 0.000 0.000 0.259 381 E C 0.566 177.189 176.600 0.038 0.000 1.245 381 E CA -0.131 56.304 56.400 0.059 0.000 1.013 381 E CB 0.329 30.097 29.700 0.114 0.000 0.978 381 E HN 0.143 nan 8.360 nan 0.000 0.479 382 S N 2.481 118.208 115.700 0.045 0.000 2.931 382 S HA -0.139 4.331 4.470 0.000 0.000 0.342 382 S C 1.493 176.118 174.600 0.041 0.000 1.220 382 S CA -0.103 58.118 58.200 0.035 0.000 1.045 382 S CB 0.022 63.248 63.200 0.043 0.000 0.758 382 S HN 0.559 nan 8.310 nan 0.000 0.508 383 L N 3.189 124.423 121.223 0.019 0.000 2.040 383 L HA -0.338 4.002 4.340 0.000 0.000 0.228 383 L C 2.345 179.267 176.870 0.087 0.000 1.092 383 L CA 2.185 57.041 54.840 0.026 0.000 0.805 383 L CB -0.665 41.396 42.059 0.004 0.000 0.905 383 L HN 0.805 nan 8.230 nan 0.000 0.443 384 E N -0.966 119.286 120.200 0.087 0.000 2.037 384 E HA -0.346 4.004 4.350 0.000 0.000 0.214 384 E C 1.905 178.589 176.600 0.140 0.000 1.041 384 E CA 2.345 58.815 56.400 0.116 0.000 0.872 384 E CB -0.563 29.187 29.700 0.084 0.000 0.785 384 E HN 0.559 nan 8.360 nan 0.000 0.476 385 T N 0.058 114.682 114.554 0.117 0.000 2.778 385 T HA -0.201 4.149 4.350 0.000 0.000 0.269 385 T C 1.874 176.668 174.700 0.157 0.000 1.050 385 T CA 1.591 63.773 62.100 0.136 0.000 1.137 385 T CB -0.298 68.643 68.868 0.122 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.604 123.504 122.820 0.133 0.000 1.927 386 A HA -0.121 4.199 4.320 0.000 0.000 0.220 386 A C 2.693 180.392 177.584 0.192 0.000 1.185 386 A CA 2.681 54.791 52.037 0.123 0.000 0.639 386 A CB -1.010 18.021 19.000 0.051 0.000 0.820 386 A HN 0.632 nan 8.150 nan 0.000 0.451 387 S N -1.341 114.526 115.700 0.278 0.000 2.341 387 S HA -0.095 4.375 4.470 0.000 0.000 0.216 387 S C 2.247 177.026 174.600 0.298 0.000 1.034 387 S CA 1.540 59.992 58.200 0.419 0.000 0.964 387 S CB -0.808 62.724 63.200 0.555 0.000 0.882 387 S HN 0.826 nan 8.310 nan 0.000 0.469 388 T N 2.061 116.757 114.554 0.237 0.000 2.881 388 T HA -0.058 4.292 4.350 0.000 0.000 0.270 388 T C 1.696 176.522 174.700 0.211 0.000 1.068 388 T CA 1.257 63.475 62.100 0.196 0.000 1.131 388 T CB -0.540 68.417 68.868 0.149 0.000 0.871 388 T HN 0.106 nan 8.240 nan 0.000 0.479 389 V N 1.396 121.441 119.914 0.219 0.000 2.229 389 V HA -0.154 3.966 4.120 0.000 0.000 0.243 389 V C 2.896 179.094 176.094 0.174 0.000 1.042 389 V CA 2.109 64.559 62.300 0.249 0.000 1.000 389 V CB -0.940 31.050 31.823 0.278 0.000 0.637 389 V HN 0.516 nan 8.190 nan 0.000 0.446 390 Q N -0.049 119.826 119.800 0.125 0.000 2.029 390 Q HA -0.347 3.993 4.340 0.000 0.000 0.209 390 Q C 2.385 178.462 176.000 0.127 0.000 0.999 390 Q CA 2.345 58.176 55.803 0.048 0.000 0.857 390 Q CB -0.385 28.370 28.738 0.027 0.000 0.926 390 Q HN 0.514 nan 8.270 nan 0.000 0.415 391 K N -0.128 120.428 120.400 0.260 0.000 2.077 391 K HA -0.290 4.030 4.320 0.000 0.000 0.213 391 K C 2.137 178.823 176.600 0.144 0.000 1.051 391 K CA 1.960 58.398 56.287 0.253 0.000 0.929 391 K CB -0.308 32.323 32.500 0.217 0.000 0.715 391 K HN 0.429 nan 8.250 nan 0.000 0.451 392 H N -0.453 118.647 119.070 0.050 0.000 2.389 392 H HA -0.070 4.486 4.556 0.000 0.000 0.299 392 H C 1.837 177.141 175.328 -0.039 0.000 1.081 392 H CA 1.303 57.362 56.048 0.019 0.000 1.345 392 H CB 0.254 30.055 29.762 0.065 0.000 1.393 392 H HN 0.033 nan 8.280 nan 0.000 0.520 393 V N 0.970 120.695 119.914 -0.315 0.000 2.407 393 V HA -0.229 3.891 4.120 0.000 0.000 0.248 393 V C 2.835 178.688 176.094 -0.401 0.000 1.055 393 V CA 1.330 63.326 62.300 -0.508 0.000 1.049 393 V CB -0.509 30.926 31.823 -0.646 0.000 0.662 393 V HN 0.284 nan 8.190 nan 0.000 0.455 394 V N -0.693 119.086 119.914 -0.225 0.000 2.407 394 V HA -0.208 3.912 4.120 0.000 0.000 0.248 394 V C 2.227 178.196 176.094 -0.209 0.000 1.055 394 V CA 2.208 64.396 62.300 -0.186 0.000 1.049 394 V CB -0.474 31.310 31.823 -0.065 0.000 0.662 394 V HN 0.547 nan 8.190 nan 0.000 0.455 395 S N -1.453 114.154 115.700 -0.155 0.000 2.803 395 S HA 0.253 4.723 4.470 0.000 0.000 0.228 395 S C 1.253 175.770 174.600 -0.138 0.000 0.953 395 S CA 0.234 58.372 58.200 -0.103 0.000 0.983 395 S CB -0.310 62.902 63.200 0.021 0.000 0.784 395 S HN 0.509 nan 8.310 nan 0.000 0.498 396 I N -1.013 119.403 120.570 -0.257 0.000 4.033 396 I HA 0.212 4.382 4.170 0.000 0.000 0.296 396 I C 2.395 178.312 176.117 -0.333 0.000 1.210 396 I CA 0.409 61.567 61.300 -0.237 0.000 1.341 396 I CB -0.326 37.539 38.000 -0.224 0.000 1.369 396 I HN 0.354 nan 8.210 nan 0.000 0.453 397 G N 0.488 108.974 108.800 -0.524 0.000 2.403 397 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 397 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 397 G C 1.140 175.723 174.900 -0.529 0.000 1.154 397 G CA 0.780 45.540 45.100 -0.566 0.000 0.784 397 G HN 0.187 nan 8.290 nan 0.000 0.538 398 D N 0.404 120.560 120.400 -0.406 0.000 2.087 398 D HA -0.114 4.526 4.640 0.000 0.000 0.192 398 D C 2.696 178.798 176.300 -0.330 0.000 0.993 398 D CA 0.956 54.733 54.000 -0.370 0.000 0.828 398 D CB -0.458 40.220 40.800 -0.203 0.000 0.968 398 D HN 0.129 nan 8.370 nan 0.000 0.448 399 V N 0.939 120.721 119.914 -0.220 0.000 3.078 399 V HA -0.126 3.994 4.120 0.000 0.000 0.265 399 V C 2.171 178.175 176.094 -0.150 0.000 1.122 399 V CA 1.563 63.775 62.300 -0.147 0.000 1.141 399 V CB -0.553 31.220 31.823 -0.084 0.000 0.735 399 V HN 0.288 nan 8.190 nan 0.000 0.498 400 R N -0.139 120.237 120.500 -0.206 0.000 2.257 400 R HA 0.130 4.470 4.340 0.000 0.000 0.195 400 R C 0.933 177.113 176.300 -0.200 0.000 0.921 400 R CA 0.099 56.109 56.100 -0.150 0.000 1.069 400 R CB -0.100 30.148 30.300 -0.086 0.000 1.115 400 R HN 0.374 nan 8.270 nan 0.000 0.571 401 Q N 1.375 120.925 119.800 -0.417 0.000 2.457 401 Q HA -0.198 4.142 4.340 0.000 0.000 0.283 401 Q C -1.120 174.823 176.000 -0.094 0.000 1.234 401 Q CA 1.220 56.683 55.803 -0.566 0.000 0.877 401 Q CB -1.229 27.271 28.738 -0.397 0.000 1.250 401 Q HN 0.522 nan 8.270 nan 0.000 0.481 402 D N -0.194 120.180 120.400 -0.043 0.000 2.513 402 D HA 0.445 5.085 4.640 0.000 0.000 0.295 402 D C -0.362 176.009 176.300 0.119 0.000 1.202 402 D CA 0.199 54.248 54.000 0.082 0.000 0.849 402 D CB 0.060 40.903 40.800 0.071 0.000 1.116 402 D HN 0.355 nan 8.370 nan 0.000 0.502 403 C N -0.086 119.317 119.300 0.172 0.000 3.232 403 C HA 0.603 5.063 4.460 0.000 0.000 0.315 403 C C -1.873 173.242 174.990 0.209 0.000 1.401 403 C CA -1.211 57.918 59.018 0.184 0.000 1.142 403 C CB 0.360 28.169 27.740 0.115 0.000 1.559 403 C HN 0.482 nan 8.230 nan 0.000 0.408 404 L N 0.746 122.064 121.223 0.158 0.000 2.611 404 L HA 0.703 5.043 4.340 0.000 0.000 0.260 404 L C -1.574 175.340 176.870 0.074 0.000 0.924 404 L CA -0.274 54.636 54.840 0.116 0.000 0.901 404 L CB 1.872 43.984 42.059 0.089 0.000 1.369 404 L HN 0.802 nan 8.230 nan 0.000 0.415 405 V N 5.138 125.046 119.914 -0.009 0.000 2.459 405 V HA 0.521 4.641 4.120 0.000 0.000 0.295 405 V C -0.637 175.465 176.094 0.013 0.000 1.029 405 V CA -0.538 61.719 62.300 -0.072 0.000 0.874 405 V CB 1.854 33.526 31.823 -0.252 0.000 0.985 405 V HN 0.555 nan 8.190 nan 0.000 0.438 406 L N 4.086 125.327 121.223 0.029 0.000 2.406 406 L HA 0.832 5.173 4.340 0.000 0.000 0.270 406 L C -0.651 176.218 176.870 -0.002 0.000 0.982 406 L CA -0.273 54.581 54.840 0.022 0.000 0.843 406 L CB 1.204 43.277 42.059 0.023 0.000 1.225 406 L HN 0.476 nan 8.230 nan 0.000 0.412 407 C N 0.603 119.898 119.300 -0.008 0.000 2.614 407 C HA 0.896 5.356 4.460 0.000 0.000 0.320 407 C C 0.470 175.397 174.990 -0.106 0.000 1.200 407 C CA -0.473 58.506 59.018 -0.065 0.000 1.700 407 C CB 1.947 29.617 27.740 -0.118 0.000 2.275 407 C HN 0.932 nan 8.230 nan 0.000 0.492 408 S N 1.656 117.260 115.700 -0.160 0.000 2.599 408 S HA 0.745 5.215 4.470 0.000 0.000 0.294 408 S C -2.721 171.710 174.600 -0.282 0.000 1.094 408 S CA -0.916 57.139 58.200 -0.243 0.000 0.931 408 S CB 1.648 64.658 63.200 -0.318 0.000 1.093 408 S HN 0.693 nan 8.310 nan 0.000 0.488 409 P HA 0.318 nan 4.420 nan 0.000 0.272 409 P C -2.922 174.267 177.300 -0.184 0.000 1.240 409 P CA -1.512 61.364 63.100 -0.374 0.000 0.791 409 P CB -0.676 30.867 31.700 -0.262 0.000 0.978 410 P HA 0.291 nan 4.420 nan 0.000 0.280 410 P C 1.131 178.407 177.300 -0.041 0.000 1.244 410 P CA -0.226 62.785 63.100 -0.147 0.000 0.784 410 P CB 0.488 31.955 31.700 -0.388 0.000 0.913 411 R N 2.079 122.407 120.500 -0.287 0.000 2.133 411 R HA -0.247 4.093 4.340 0.000 0.000 0.245 411 R C 1.740 177.843 176.300 -0.329 0.000 1.137 411 R CA 1.937 57.657 56.100 -0.633 0.000 0.947 411 R CB -0.422 29.460 30.300 -0.697 0.000 0.865 411 R HN 0.620 nan 8.270 nan 0.000 0.437 412 E N -0.835 119.230 120.200 -0.225 0.000 2.136 412 E HA -0.293 4.057 4.350 0.000 0.000 0.208 412 E C 1.881 178.412 176.600 -0.116 0.000 1.035 412 E CA 2.067 58.379 56.400 -0.146 0.000 0.838 412 E CB -0.259 29.386 29.700 -0.092 0.000 0.748 412 E HN 0.279 nan 8.360 nan 0.000 0.459 413 T N -0.949 113.534 114.554 -0.117 0.000 3.055 413 T HA 0.019 4.369 4.350 0.000 0.000 0.265 413 T C 1.426 176.065 174.700 -0.101 0.000 1.111 413 T CA 0.606 62.655 62.100 -0.084 0.000 1.118 413 T CB 0.337 69.079 68.868 -0.209 0.000 0.909 413 T HN -0.039 nan 8.240 nan 0.000 0.501 414 V N -0.699 119.137 119.914 -0.129 0.000 3.305 414 V HA 0.213 4.333 4.120 0.000 0.000 0.247 414 V C 2.047 178.013 176.094 -0.214 0.000 1.426 414 V CA 0.256 62.483 62.300 -0.121 0.000 1.162 414 V CB 1.011 32.807 31.823 -0.044 0.000 0.961 414 V HN 0.240 nan 8.190 nan 0.000 0.449 415 V N 0.583 120.282 119.914 -0.359 0.000 2.379 415 V HA 0.055 4.175 4.120 0.000 0.000 0.243 415 V C 2.528 178.387 176.094 -0.392 0.000 1.035 415 V CA 2.229 64.160 62.300 -0.615 0.000 1.035 415 V CB -0.829 30.353 31.823 -1.067 0.000 0.673 415 V HN 0.536 nan 8.190 nan 0.000 0.457 416 G N 1.564 110.203 108.800 -0.268 0.000 2.434 416 G HA2 -0.097 3.863 3.960 0.000 0.000 0.214 416 G HA3 -0.097 3.863 3.960 0.000 0.000 0.214 416 G C 0.726 175.567 174.900 -0.097 0.000 1.202 416 G CA 1.088 46.097 45.100 -0.151 0.000 0.788 416 G HN 0.532 nan 8.290 nan 0.000 0.539 417 I N 0.743 121.262 120.570 -0.085 0.000 3.138 417 I HA 0.367 4.537 4.170 0.000 0.000 0.288 417 I C -1.919 174.170 176.117 -0.046 0.000 1.148 417 I CA -3.353 57.917 61.300 -0.051 0.000 1.315 417 I CB -0.532 37.447 38.000 -0.035 0.000 1.426 417 I HN 0.007 nan 8.210 nan 0.000 0.615 418 P HA 0.162 nan 4.420 nan 0.000 0.276 418 P C 0.805 178.095 177.300 -0.017 0.000 1.261 418 P CA -0.465 62.624 63.100 -0.018 0.000 0.800 418 P CB 0.945 32.640 31.700 -0.009 0.000 1.066 419 V N 0.196 120.103 119.914 -0.011 0.000 2.490 419 V HA -0.216 3.904 4.120 0.000 0.000 0.250 419 V C 2.485 178.576 176.094 -0.005 0.000 1.061 419 V CA 2.430 64.725 62.300 -0.009 0.000 1.064 419 V CB -1.920 29.901 31.823 -0.003 0.000 0.670 419 V HN 0.620 nan 8.190 nan 0.000 0.461 420 T N 0.402 114.955 114.554 -0.002 0.000 2.544 420 T HA -0.294 4.056 4.350 0.000 0.000 0.264 420 T C 2.068 176.771 174.700 0.005 0.000 1.096 420 T CA 2.301 64.402 62.100 0.002 0.000 1.181 420 T CB -0.325 68.545 68.868 0.004 0.000 0.864 420 T HN 0.458 nan 8.240 nan 0.000 0.415 421 R N 0.942 121.445 120.500 0.005 0.000 2.091 421 R HA -0.041 4.299 4.340 0.000 0.000 0.238 421 R C 2.846 179.150 176.300 0.007 0.000 1.136 421 R CA 1.216 57.323 56.100 0.012 0.000 0.959 421 R CB -0.723 29.584 30.300 0.011 0.000 0.856 421 R HN 0.414 nan 8.270 nan 0.000 0.437 422 A N 0.994 123.809 122.820 -0.008 0.000 1.870 422 A HA -0.233 4.087 4.320 0.000 0.000 0.219 422 A C 2.415 179.985 177.584 -0.024 0.000 1.224 422 A CA 2.339 54.363 52.037 -0.023 0.000 0.650 422 A CB -0.993 17.989 19.000 -0.030 0.000 0.836 422 A HN 0.154 nan 8.150 nan 0.000 0.454 423 V N 0.419 120.325 119.914 -0.013 0.000 2.295 423 V HA -0.264 3.856 4.120 0.000 0.000 0.246 423 V C 2.236 178.325 176.094 -0.008 0.000 1.049 423 V CA 2.230 64.524 62.300 -0.010 0.000 1.024 423 V CB -1.061 30.761 31.823 -0.001 0.000 0.648 423 V HN 0.521 nan 8.190 nan 0.000 0.447 424 D N 0.577 120.979 120.400 0.004 0.000 2.154 424 D HA -0.207 4.433 4.640 0.000 0.000 0.190 424 D C 2.040 178.343 176.300 0.005 0.000 1.003 424 D CA 1.739 55.750 54.000 0.018 0.000 0.849 424 D CB -0.474 40.347 40.800 0.035 0.000 0.942 424 D HN 0.420 nan 8.370 nan 0.000 0.446 425 N N 0.596 119.288 118.700 -0.012 0.000 2.025 425 N HA -0.136 4.604 4.740 0.000 0.000 0.194 425 N C 2.226 177.557 175.510 -0.298 0.000 1.044 425 N CA 0.454 53.428 53.050 -0.126 0.000 0.851 425 N CB -0.838 37.614 38.487 -0.058 0.000 1.036 425 N HN 0.223 nan 8.380 nan 0.000 0.422 426 L N 0.816 121.948 121.223 -0.151 0.000 2.021 426 L HA -0.216 4.124 4.340 0.000 0.000 0.215 426 L C 2.218 179.107 176.870 0.032 0.000 1.074 426 L CA 1.175 55.986 54.840 -0.049 0.000 0.760 426 L CB -0.327 41.729 42.059 -0.005 0.000 0.889 426 L HN 0.018 nan 8.230 nan 0.000 0.433 427 V N -0.573 119.344 119.914 0.005 0.000 2.358 427 V HA -0.238 3.882 4.120 0.000 0.000 0.246 427 V C 2.123 178.231 176.094 0.022 0.000 1.047 427 V CA 1.776 64.089 62.300 0.022 0.000 1.035 427 V CB -0.831 31.001 31.823 0.015 0.000 0.658 427 V HN 0.471 nan 8.190 nan 0.000 0.452 428 N N -0.517 118.190 118.700 0.012 0.000 2.061 428 N HA -0.245 4.495 4.740 0.000 0.000 0.193 428 N C 1.386 176.948 175.510 0.087 0.000 1.030 428 N CA 1.870 54.958 53.050 0.063 0.000 0.856 428 N CB -0.554 38.018 38.487 0.142 0.000 1.023 428 N HN 0.705 nan 8.380 nan 0.000 0.424 429 W N 2.202 123.343 121.300 -0.265 0.000 2.388 429 W HA 0.014 4.674 4.660 -0.000 0.000 0.294 429 W C 1.882 178.409 176.519 0.014 0.000 1.212 429 W CA 1.038 58.278 57.345 -0.175 0.000 1.271 429 W CB -0.078 29.146 29.460 -0.392 0.000 1.126 429 W HN -0.045 nan 8.180 nan 0.000 0.535 430 R N -0.337 120.156 120.500 -0.012 0.000 2.235 430 R HA -0.038 4.302 4.340 0.000 0.000 0.213 430 R C 1.680 177.890 176.300 -0.150 0.000 1.059 430 R CA 1.343 57.359 56.100 -0.139 0.000 0.997 430 R CB -0.521 29.769 30.300 -0.016 0.000 0.884 430 R HN 0.190 nan 8.270 nan 0.000 0.462 431 T N -1.249 113.261 114.554 -0.073 0.000 2.983 431 T HA 0.454 4.804 4.350 0.000 0.000 0.225 431 T C -0.138 174.544 174.700 -0.031 0.000 0.929 431 T CA 0.400 62.466 62.100 -0.057 0.000 1.413 431 T CB 0.787 69.646 68.868 -0.016 0.000 2.852 431 T HN 0.114 nan 8.240 nan 0.000 0.430 432 A N -0.123 122.713 122.820 0.028 0.000 2.816 432 A HA 0.746 5.066 4.320 0.000 0.000 0.208 432 A C 0.222 177.871 177.584 0.107 0.000 0.896 432 A CA 0.285 52.368 52.037 0.077 0.000 1.183 432 A CB -0.498 18.524 19.000 0.037 0.000 1.249 432 A HN 0.894 nan 8.150 nan 0.000 0.484 433 A N -0.675 122.221 122.820 0.128 0.000 2.717 433 A HA 0.877 5.197 4.320 0.000 0.000 0.262 433 A C 1.578 179.272 177.584 0.184 0.000 1.483 433 A CA 0.362 52.471 52.037 0.121 0.000 0.889 433 A CB -0.704 18.349 19.000 0.089 0.000 1.604 433 A HN 2.154 nan 8.150 nan 0.000 0.523 434 G N -0.603 108.285 108.800 0.146 0.000 2.698 434 G HA2 -0.355 3.605 3.960 0.000 0.000 0.337 434 G HA3 -0.355 3.605 3.960 0.000 0.000 0.337 434 G C 1.414 176.378 174.900 0.106 0.000 1.286 434 G CA 1.752 46.944 45.100 0.153 0.000 1.000 434 G HN 1.834 nan 8.290 nan 0.000 0.547 435 S N -0.796 114.940 115.700 0.060 0.000 2.524 435 S HA 0.261 4.731 4.470 0.000 0.000 0.216 435 S C 1.212 175.670 174.600 -0.237 0.000 0.987 435 S CA 0.866 58.960 58.200 -0.177 0.000 0.909 435 S CB -0.069 62.906 63.200 -0.375 0.000 0.781 435 S HN 0.493 nan 8.310 nan 0.000 0.521 436 Y N 1.546 121.916 120.300 0.116 0.000 2.882 436 Y HA 0.280 4.830 4.550 0.000 0.000 0.361 436 Y C 1.997 177.983 175.900 0.144 0.000 1.058 436 Y CA -0.051 58.163 58.100 0.189 0.000 1.575 436 Y CB -0.256 38.401 38.460 0.329 0.000 1.383 436 Y HN 0.222 nan 8.280 nan 0.000 0.515 437 T N -1.667 112.988 114.554 0.168 0.000 3.035 437 T HA -0.075 4.275 4.350 0.000 0.000 0.259 437 T C 1.166 175.921 174.700 0.092 0.000 1.078 437 T CA 1.458 63.626 62.100 0.113 0.000 1.132 437 T CB 0.103 69.013 68.868 0.070 0.000 0.900 437 T HN 0.271 nan 8.240 nan 0.000 0.480 438 D N 1.083 121.538 120.400 0.091 0.000 2.388 438 D HA 0.167 4.807 4.640 0.000 0.000 0.208 438 D C 0.111 176.478 176.300 0.111 0.000 1.035 438 D CA 0.265 54.310 54.000 0.076 0.000 0.875 438 D CB 0.141 40.970 40.800 0.048 0.000 0.984 438 D HN 0.306 nan 8.370 nan 0.000 0.508 439 N N 2.018 120.824 118.700 0.176 0.000 2.841 439 N HA 0.136 4.876 4.740 0.000 0.000 0.257 439 N C -0.887 174.879 175.510 0.426 0.000 1.396 439 N CA -0.251 52.955 53.050 0.261 0.000 0.823 439 N CB 0.836 39.472 38.487 0.248 0.000 1.162 439 N HN 0.226 nan 8.380 nan 0.000 0.503 440 N N -0.250 118.589 118.700 0.232 0.000 2.457 440 N HA 0.366 5.106 4.740 0.000 0.000 0.290 440 N C -0.741 174.630 175.510 -0.232 0.000 1.232 440 N CA -0.526 52.525 53.050 0.001 0.000 0.852 440 N CB 1.508 39.988 38.487 -0.012 0.000 1.313 440 N HN 0.021 nan 8.380 nan 0.000 0.522 441 F N 0.526 119.895 119.950 -0.968 0.000 2.791 441 F HA 0.291 4.818 4.527 -0.000 0.000 0.308 441 F C 0.308 175.778 175.800 -0.549 0.000 1.138 441 F CA -0.979 56.476 58.000 -0.909 0.000 1.294 441 F CB -0.512 37.370 39.000 -1.864 0.000 0.975 441 F HN 0.414 nan 8.300 nan 0.000 0.512 442 N N 3.330 121.760 118.700 -0.450 0.000 3.027 442 N HA 0.068 4.808 4.740 0.000 0.000 0.309 442 N C -0.239 175.042 175.510 -0.381 0.000 1.222 442 N CA 0.271 53.101 53.050 -0.368 0.000 1.187 442 N CB -0.652 37.709 38.487 -0.209 0.000 1.458 442 N HN 0.584 nan 8.380 nan 0.000 0.535 443 I N -2.645 117.582 120.570 -0.571 0.000 3.170 443 I HA 0.618 4.788 4.170 0.000 0.000 0.312 443 I C -0.380 175.500 176.117 -0.394 0.000 1.085 443 I CA -1.018 60.011 61.300 -0.453 0.000 0.999 443 I CB 2.033 39.716 38.000 -0.529 0.000 1.233 443 I HN -0.036 nan 8.210 nan 0.000 0.467 444 S N 1.960 117.503 115.700 -0.262 0.000 2.488 444 S HA 0.315 4.785 4.470 0.000 0.000 0.151 444 S C -0.865 173.665 174.600 -0.117 0.000 1.401 444 S CA -0.371 57.719 58.200 -0.184 0.000 1.221 444 S CB 0.242 63.358 63.200 -0.139 0.000 1.407 444 S HN 0.833 nan 8.310 nan 0.000 0.406 445 S N 1.544 117.182 115.700 -0.102 0.000 2.565 445 S HA 0.473 4.943 4.470 0.000 0.000 0.290 445 S C 1.510 176.110 174.600 -0.000 0.000 1.150 445 S CA 0.185 58.375 58.200 -0.016 0.000 1.058 445 S CB 1.404 64.612 63.200 0.013 0.000 1.032 445 S HN 0.789 nan 8.310 nan 0.000 0.510 446 T N 2.270 116.838 114.554 0.025 0.000 3.072 446 T HA 0.032 4.382 4.350 0.000 0.000 0.266 446 T C 0.811 175.368 174.700 -0.238 0.000 1.127 446 T CA 0.875 62.907 62.100 -0.114 0.000 1.107 446 T CB -0.464 68.297 68.868 -0.179 0.000 0.910 446 T HN 0.720 nan 8.240 nan 0.000 0.513 447 Y N 1.315 121.571 120.300 -0.073 0.000 2.462 447 Y HA 0.624 5.174 4.550 0.000 0.000 0.261 447 Y C 1.536 177.389 175.900 -0.078 0.000 1.146 447 Y CA -0.732 57.320 58.100 -0.080 0.000 1.283 447 Y CB 0.041 38.434 38.460 -0.111 0.000 1.090 447 Y HN 0.318 nan 8.280 nan 0.000 0.526 448 A N 1.182 124.036 122.820 0.057 0.000 2.309 448 A HA 0.708 5.028 4.320 0.000 0.000 0.290 448 A C -0.064 177.541 177.584 0.036 0.000 1.206 448 A CA -0.093 51.968 52.037 0.040 0.000 0.850 448 A CB -0.332 18.669 19.000 0.001 0.000 1.118 448 A HN 0.234 nan 8.150 nan 0.000 0.523 449 A N 3.769 126.620 122.820 0.052 0.000 2.310 449 A HA 0.608 4.928 4.320 0.000 0.000 0.304 449 A C -0.162 177.463 177.584 0.068 0.000 1.231 449 A CA -0.419 51.641 52.037 0.037 0.000 0.799 449 A CB 0.318 19.324 19.000 0.010 0.000 1.162 449 A HN 1.031 nan 8.150 nan 0.000 0.486 450 I N 1.245 121.873 120.570 0.096 0.000 2.797 450 I HA 0.420 4.590 4.170 0.000 0.000 0.310 450 I C -0.382 175.750 176.117 0.024 0.000 0.990 450 I CA -0.355 60.995 61.300 0.084 0.000 1.228 450 I CB 1.560 39.671 38.000 0.185 0.000 1.406 450 I HN 0.720 nan 8.210 nan 0.000 0.534 451 D N 2.582 122.970 120.400 -0.021 0.000 2.487 451 D HA 0.455 5.095 4.640 0.000 0.000 0.262 451 D C 0.645 176.917 176.300 -0.046 0.000 1.130 451 D CA 0.037 54.008 54.000 -0.049 0.000 1.038 451 D CB 1.889 42.629 40.800 -0.101 0.000 1.142 451 D HN 0.621 nan 8.370 nan 0.000 0.575 452 G N -0.082 108.689 108.800 -0.048 0.000 2.551 452 G HA2 0.005 3.965 3.960 0.000 0.000 0.214 452 G HA3 0.005 3.965 3.960 0.000 0.000 0.214 452 G C 0.530 175.389 174.900 -0.068 0.000 1.250 452 G CA 0.754 45.833 45.100 -0.036 0.000 0.825 452 G HN 0.713 nan 8.290 nan 0.000 0.549 453 N N -2.692 115.960 118.700 -0.079 0.000 3.512 453 N HA 0.482 5.222 4.740 0.000 0.000 0.360 453 N C -1.592 173.840 175.510 -0.130 0.000 1.593 453 N CA -0.867 52.147 53.050 -0.060 0.000 0.672 453 N CB 1.034 39.535 38.487 0.025 0.000 2.105 453 N HN 0.168 nan 8.380 nan 0.000 0.645 454 Y N -0.127 120.190 120.300 0.028 0.000 2.462 454 Y HA 0.346 4.896 4.550 0.000 0.000 0.346 454 Y C -0.238 175.905 175.900 0.405 0.000 0.976 454 Y CA -0.890 57.284 58.100 0.122 0.000 1.044 454 Y CB 2.151 40.598 38.460 -0.021 0.000 1.230 454 Y HN 0.385 nan 8.280 nan 0.000 0.455 455 K N 2.646 123.405 120.400 0.599 0.000 2.118 455 K HA 0.221 4.541 4.320 0.000 0.000 0.267 455 K C -1.840 175.048 176.600 0.480 0.000 0.991 455 K CA -0.510 56.064 56.287 0.479 0.000 0.916 455 K CB 0.811 33.469 32.500 0.263 0.000 1.041 455 K HN 0.769 nan 8.250 nan 0.000 0.455 456 Y N 3.484 123.739 120.300 -0.075 0.000 2.587 456 Y HA 0.180 4.730 4.550 0.000 0.000 0.328 456 Y C -0.231 175.512 175.900 -0.262 0.000 0.980 456 Y CA -0.315 57.425 58.100 -0.599 0.000 1.272 456 Y CB 0.915 38.627 38.460 -1.246 0.000 1.094 456 Y HN 0.693 nan 8.280 nan 0.000 0.503 457 Q N 3.215 122.798 119.800 -0.362 0.000 2.166 457 Q HA 0.327 4.667 4.340 0.000 0.000 0.226 457 Q C -1.614 174.225 176.000 -0.268 0.000 0.989 457 Q CA -0.986 54.703 55.803 -0.190 0.000 0.966 457 Q CB 1.453 30.161 28.738 -0.050 0.000 1.173 457 Q HN 0.712 nan 8.270 nan 0.000 0.509 458 Y N 0.557 120.732 120.300 -0.208 0.000 2.377 458 Y HA 0.294 4.844 4.550 0.000 0.000 0.339 458 Y C -1.210 174.624 175.900 -0.110 0.000 1.011 458 Y CA -0.902 57.086 58.100 -0.186 0.000 1.093 458 Y CB 1.607 39.990 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.461 126.353 120.400 -0.846 0.000 2.499 459 D HA 0.075 4.715 4.640 0.000 0.000 0.225 459 D C 0.748 176.557 176.300 -0.819 0.000 1.124 459 D CA -0.346 53.307 54.000 -0.577 0.000 0.938 459 D CB 0.732 41.337 40.800 -0.325 0.000 1.014 459 D HN 0.836 nan 8.370 nan 0.000 0.517 460 K N 2.395 122.410 120.400 -0.641 0.000 2.362 460 K HA -0.223 4.097 4.320 0.000 0.000 0.202 460 K C 0.374 176.709 176.600 -0.442 0.000 1.045 460 K CA 1.066 57.103 56.287 -0.417 0.000 0.936 460 K CB -0.156 32.231 32.500 -0.188 0.000 0.747 460 K HN 0.351 nan 8.250 nan 0.000 0.467 461 Y N 1.666 121.822 120.300 -0.241 0.000 2.159 461 Y HA 0.041 4.591 4.550 0.000 0.000 0.285 461 Y C 2.233 178.017 175.900 -0.193 0.000 1.106 461 Y CA 0.999 58.975 58.100 -0.207 0.000 1.095 461 Y CB -0.456 37.827 38.460 -0.295 0.000 1.015 461 Y HN 0.085 nan 8.280 nan 0.000 0.491 462 N N 0.233 118.902 118.700 -0.052 0.000 2.512 462 N HA -0.124 4.616 4.740 0.000 0.000 0.183 462 N C -0.205 175.232 175.510 -0.122 0.000 1.073 462 N CA 1.512 54.511 53.050 -0.085 0.000 0.911 462 N CB -0.340 38.092 38.487 -0.093 0.000 0.964 462 N HN 0.318 nan 8.380 nan 0.000 0.447 463 D N -0.288 119.978 120.400 -0.224 0.000 2.737 463 D HA -0.144 4.496 4.640 0.000 0.000 0.243 463 D C -1.372 174.815 176.300 -0.189 0.000 1.109 463 D CA 0.308 54.172 54.000 -0.226 0.000 0.702 463 D CB -1.064 39.708 40.800 -0.048 0.000 1.068 463 D HN -0.050 nan 8.370 nan 0.000 0.432 464 V N 0.147 119.870 119.914 -0.318 0.000 3.049 464 V HA 0.543 4.663 4.120 0.000 0.000 0.309 464 V C 0.290 176.230 176.094 -0.257 0.000 1.148 464 V CA -1.295 60.894 62.300 -0.185 0.000 0.990 464 V CB 2.171 33.919 31.823 -0.125 0.000 1.039 464 V HN 0.147 nan 8.190 nan 0.000 0.430 465 N N 2.998 121.595 118.700 -0.172 0.000 2.514 465 N HA 0.528 5.268 4.740 0.000 0.000 0.277 465 N C -0.397 174.794 175.510 -0.532 0.000 1.126 465 N CA -0.218 52.599 53.050 -0.388 0.000 0.978 465 N CB 1.440 39.746 38.487 -0.302 0.000 1.106 465 N HN 0.737 nan 8.380 nan 0.000 0.461 466 R N 1.547 121.587 120.500 -0.767 0.000 2.626 466 R HA 0.274 4.614 4.340 0.000 0.000 0.274 466 R C -1.483 174.548 176.300 -0.449 0.000 1.031 466 R CA -0.673 55.166 56.100 -0.435 0.000 0.898 466 R CB 1.159 31.331 30.300 -0.213 0.000 1.222 466 R HN 0.462 nan 8.270 nan 0.000 0.455 467 W N 4.221 125.487 121.300 -0.056 0.000 2.316 467 W HA 0.387 5.047 4.660 -0.000 0.000 0.311 467 W C 0.101 176.635 176.519 0.024 0.000 1.217 467 W CA -0.251 57.121 57.345 0.045 0.000 1.199 467 W CB 1.621 31.104 29.460 0.038 0.000 1.202 467 W HN 0.313 nan 8.180 nan 0.000 0.528 468 V N 1.915 122.056 119.914 0.378 0.000 2.876 468 V HA 0.636 4.756 4.120 0.000 0.000 0.312 468 V C -2.466 173.911 176.094 0.473 0.000 1.085 468 V CA -3.494 58.989 62.300 0.305 0.000 0.945 468 V CB 1.793 33.722 31.823 0.176 0.000 1.017 468 V HN 0.324 nan 8.190 nan 0.000 0.428 469 P HA 0.032 nan 4.420 nan 0.000 0.264 469 P C 0.355 177.678 177.300 0.039 0.000 1.193 469 P CA 0.097 63.309 63.100 0.185 0.000 0.763 469 P CB 1.181 32.948 31.700 0.112 0.000 0.810 470 L N 4.738 125.901 121.223 -0.100 0.000 2.240 470 L HA -0.027 4.313 4.340 0.000 0.000 0.211 470 L C 2.446 179.301 176.870 -0.025 0.000 1.106 470 L CA 1.715 56.544 54.840 -0.019 0.000 0.793 470 L CB -1.689 40.349 42.059 -0.035 0.000 0.927 470 L HN 0.435 nan 8.230 nan 0.000 0.446 471 A N 0.031 122.807 122.820 -0.073 0.000 1.884 471 A HA -0.290 4.030 4.320 0.000 0.000 0.219 471 A C 2.513 180.107 177.584 0.017 0.000 1.197 471 A CA 2.371 54.385 52.037 -0.039 0.000 0.637 471 A CB -1.298 17.668 19.000 -0.057 0.000 0.827 471 A HN 0.539 nan 8.150 nan 0.000 0.450 472 A N -0.669 122.175 122.820 0.041 0.000 1.971 472 A HA -0.321 3.999 4.320 0.000 0.000 0.222 472 A C 1.958 179.645 177.584 0.171 0.000 1.182 472 A CA 2.411 54.505 52.037 0.095 0.000 0.649 472 A CB -0.653 18.406 19.000 0.098 0.000 0.818 472 A HN 0.639 nan 8.150 nan 0.000 0.458 473 D N -0.013 120.459 120.400 0.120 0.000 2.106 473 D HA -0.107 4.533 4.640 0.000 0.000 0.203 473 D C 2.061 178.298 176.300 -0.105 0.000 0.977 473 D CA 1.513 55.574 54.000 0.101 0.000 0.844 473 D CB -0.306 40.563 40.800 0.117 0.000 1.002 473 D HN 0.580 nan 8.370 nan 0.000 0.461 474 I N -0.635 119.881 120.570 -0.090 0.000 2.399 474 I HA -0.233 3.937 4.170 0.000 0.000 0.254 474 I C 2.239 178.281 176.117 -0.125 0.000 1.146 474 I CA 1.630 62.844 61.300 -0.144 0.000 1.412 474 I CB -0.445 37.511 38.000 -0.073 0.000 1.076 474 I HN -0.098 nan 8.210 nan 0.000 0.432 475 A N 1.913 124.730 122.820 -0.004 0.000 1.902 475 A HA -0.023 4.297 4.320 0.000 0.000 0.217 475 A C 2.428 180.090 177.584 0.129 0.000 1.181 475 A CA 1.788 53.884 52.037 0.098 0.000 0.623 475 A CB -1.557 17.546 19.000 0.170 0.000 0.818 475 A HN 0.561 nan 8.150 nan 0.000 0.443 476 G N -0.708 108.125 108.800 0.056 0.000 2.421 476 G HA2 -0.053 3.907 3.960 0.000 0.000 0.217 476 G HA3 -0.053 3.907 3.960 0.000 0.000 0.217 476 G C 1.329 175.947 174.900 -0.470 0.000 1.143 476 G CA 0.947 45.829 45.100 -0.363 0.000 0.784 476 G HN 0.421 nan 8.290 nan 0.000 0.541 477 L N 0.320 121.112 121.223 -0.718 0.000 2.456 477 L HA 0.096 4.436 4.340 0.000 0.000 0.224 477 L C 2.285 179.021 176.870 -0.224 0.000 1.148 477 L CA 0.777 55.266 54.840 -0.586 0.000 0.825 477 L CB -0.318 41.424 42.059 -0.528 0.000 0.937 477 L HN 0.255 nan 8.230 nan 0.000 0.450 478 C N -2.173 117.043 119.300 -0.141 0.000 2.513 478 C HA 0.218 4.678 4.460 0.000 0.000 0.292 478 C C 2.817 177.796 174.990 -0.018 0.000 1.359 478 C CA 0.156 59.144 59.018 -0.051 0.000 1.778 478 C CB -0.929 26.805 27.740 -0.011 0.000 2.180 478 C HN 0.620 nan 8.230 nan 0.000 0.509 479 A N 0.560 123.378 122.820 -0.003 0.000 2.093 479 A HA -0.210 4.110 4.320 0.000 0.000 0.222 479 A C 2.068 179.653 177.584 0.003 0.000 1.162 479 A CA 1.555 53.604 52.037 0.021 0.000 0.655 479 A CB -0.423 18.593 19.000 0.027 0.000 0.805 479 A HN 0.690 nan 8.150 nan 0.000 0.461 480 R N -2.336 118.155 120.500 -0.014 0.000 2.397 480 R HA 0.131 4.471 4.340 0.000 0.000 0.241 480 R C 0.850 177.148 176.300 -0.004 0.000 0.914 480 R CA 0.847 56.948 56.100 0.002 0.000 1.071 480 R CB 0.242 30.558 30.300 0.026 0.000 1.116 480 R HN 0.447 nan 8.270 nan 0.000 0.524 481 T N -0.293 114.252 114.554 -0.015 0.000 3.028 481 T HA 0.013 4.363 4.350 0.000 0.000 0.250 481 T C 0.776 175.472 174.700 -0.007 0.000 0.979 481 T CA 0.137 62.229 62.100 -0.013 0.000 1.004 481 T CB 0.315 69.168 68.868 -0.025 0.000 1.120 481 T HN -0.042 nan 8.240 nan 0.000 0.482 482 D N 1.824 122.222 120.400 -0.003 0.000 2.378 482 D HA 0.013 4.653 4.640 0.000 0.000 0.222 482 D C 1.291 177.598 176.300 0.011 0.000 0.980 482 D CA 0.681 54.685 54.000 0.006 0.000 0.907 482 D CB 0.016 40.827 40.800 0.017 0.000 0.899 482 D HN 0.444 nan 8.370 nan 0.000 0.527 483 N N -0.439 118.267 118.700 0.010 0.000 2.240 483 N HA 0.013 4.753 4.740 0.000 0.000 0.240 483 N C -0.264 175.251 175.510 0.008 0.000 1.277 483 N CA -0.115 52.943 53.050 0.013 0.000 0.873 483 N CB 0.936 39.434 38.487 0.018 0.000 1.222 483 N HN -0.235 nan 8.380 nan 0.000 0.507 497 G N 1.722 110.528 108.800 0.010 0.000 2.483 497 G HA2 0.241 4.201 3.960 0.000 0.000 0.248 497 G HA3 0.241 4.201 3.960 0.000 0.000 0.248 497 G C -0.427 174.495 174.900 0.036 0.000 1.248 497 G CA -0.255 44.861 45.100 0.027 0.000 0.838 497 G HN 0.677 nan 8.290 nan 0.000 0.566 498 Q N 0.101 119.928 119.800 0.045 0.000 2.474 498 Q HA 0.140 4.480 4.340 0.000 0.000 0.256 498 Q C 0.920 176.975 176.000 0.092 0.000 1.048 498 Q CA -0.449 55.386 55.803 0.054 0.000 0.922 498 Q CB 0.639 29.406 28.738 0.047 0.000 1.288 498 Q HN 0.547 nan 8.270 nan 0.000 0.484 499 I N 2.521 123.148 120.570 0.095 0.000 2.634 499 I HA -0.002 4.168 4.170 0.000 0.000 0.284 499 I C 0.339 176.563 176.117 0.178 0.000 1.124 499 I CA 0.205 61.601 61.300 0.160 0.000 1.417 499 I CB -0.266 37.806 38.000 0.120 0.000 1.396 499 I HN 0.881 nan 8.210 nan 0.000 0.571 500 L N 4.712 126.091 121.223 0.260 0.000 1.886 500 L HA -0.113 4.227 4.340 0.000 0.000 0.226 500 L C 1.292 178.198 176.870 0.060 0.000 1.091 500 L CA 1.409 56.300 54.840 0.085 0.000 0.799 500 L CB -0.397 41.594 42.059 -0.113 0.000 0.889 500 L HN 0.707 nan 8.230 nan 0.000 0.429 501 N N 0.482 119.216 118.700 0.058 0.000 2.645 501 N HA 0.219 4.959 4.740 0.000 0.000 0.233 501 N C -0.995 174.560 175.510 0.075 0.000 1.058 501 N CA -0.002 53.076 53.050 0.046 0.000 0.942 501 N CB 2.037 40.548 38.487 0.040 0.000 1.210 501 N HN 0.001 nan 8.380 nan 0.000 0.512 502 V N 3.093 123.049 119.914 0.070 0.000 2.876 502 V HA 0.410 4.530 4.120 0.000 0.000 0.312 502 V C 0.470 176.603 176.094 0.064 0.000 1.085 502 V CA -0.647 61.702 62.300 0.081 0.000 0.945 502 V CB 2.317 34.195 31.823 0.093 0.000 1.017 502 V HN 0.608 nan 8.190 nan 0.000 0.428 503 I N 2.693 123.307 120.570 0.073 0.000 3.971 503 I HA 0.554 4.724 4.170 0.000 0.000 0.303 503 I C 0.386 176.556 176.117 0.088 0.000 1.233 503 I CA 0.183 61.529 61.300 0.077 0.000 1.346 503 I CB 0.350 38.397 38.000 0.078 0.000 1.273 503 I HN 0.525 nan 8.210 nan 0.000 0.448 504 K N 1.443 121.911 120.400 0.113 0.000 2.527 504 K HA 0.580 4.900 4.320 0.000 0.000 0.260 504 K C -1.857 174.849 176.600 0.177 0.000 0.937 504 K CA -0.722 55.615 56.287 0.083 0.000 0.826 504 K CB 2.709 35.165 32.500 -0.073 0.000 1.359 504 K HN 0.176 nan 8.250 nan 0.000 0.434 505 L N 3.141 124.492 121.223 0.213 0.000 2.341 505 L HA 0.405 4.745 4.340 0.000 0.000 0.278 505 L C 1.227 178.303 176.870 0.342 0.000 1.005 505 L CA -0.442 54.583 54.840 0.308 0.000 0.818 505 L CB 1.814 43.980 42.059 0.178 0.000 1.259 505 L HN 0.967 nan 8.230 nan 0.000 0.418 506 A N 4.985 128.057 122.820 0.419 0.000 1.929 506 A HA -0.184 4.136 4.320 0.000 0.000 0.221 506 A C 0.955 178.582 177.584 0.073 0.000 1.211 506 A CA 1.920 54.024 52.037 0.111 0.000 0.657 506 A CB -0.731 18.224 19.000 -0.074 0.000 0.827 506 A HN 0.677 nan 8.150 nan 0.000 0.462 507 I N -3.095 117.521 120.570 0.077 0.000 2.420 507 I HA 0.602 4.772 4.170 0.000 0.000 0.282 507 I C -1.315 174.835 176.117 0.055 0.000 1.019 507 I CA -0.532 60.796 61.300 0.046 0.000 1.130 507 I CB 1.591 39.602 38.000 0.019 0.000 1.262 507 I HN 0.112 nan 8.210 nan 0.000 0.454 508 E N 3.938 124.169 120.200 0.053 0.000 2.171 508 E HA 0.366 4.716 4.350 0.000 0.000 0.271 508 E C -0.338 176.279 176.600 0.029 0.000 0.916 508 E CA -0.944 55.481 56.400 0.043 0.000 0.774 508 E CB 1.863 31.592 29.700 0.048 0.000 1.128 508 E HN 0.691 nan 8.360 nan 0.000 0.403 509 T N 2.199 116.767 114.554 0.023 0.000 3.720 509 T HA -0.125 4.225 4.350 0.000 0.000 0.381 509 T C -1.938 172.775 174.700 0.021 0.000 0.763 509 T CA 0.216 62.329 62.100 0.022 0.000 1.957 509 T CB -1.487 67.397 68.868 0.027 0.000 1.767 509 T HN 0.416 nan 8.240 nan 0.000 0.743 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.109 63.100 0.016 0.000 0.800 510 P CB 0.000 31.708 31.700 0.014 0.000 0.726