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 1m1z_1_B DATA FIRST_RESID 2 DATA SEQUENCE GAPVLPAAFG FLASARTGGX XXPGPVFATR GSHTDIDTPQ GERSLAATLV DATA SEQUENCE HAPSVAPDRA VARSLTGAPT TAVLAGEIYN RDELLSVLPA GPAPEGDAEL DATA SEQUENCE VLRLLERYDL HAFRLVNGRF ATVVRTGDRV LLATDHAGSV PLYTCVAPGE DATA SEQUENCE VRASTEAKAL AAHRDPKGFP LADARRVAGL TGVYQVPAGA VMDIDLGSGT DATA SEQUENCE AVTHRTWTPG LSRRILPEGE AVAAVRAALE KAVAQRVTPG DTPLVVLSGG DATA SEQUENCE IDSSGVAACA HRAAGELDTV SMGTDTSNEF REARAVVDHL RTRHREITIP DATA SEQUENCE TTELLAQLPY AVWASESVDP DIIEYLLPLT ALYRALDGPE RRILTGYGAD DATA SEQUENCE IPLGGMHXXX XLPALDTVLA HDMATFDGLN EMSPVLSTLA GHWTTHPYWD DATA SEQUENCE REVLDLLVSL EAGLKRRHGR DKWVLRAAMA DALPAETVNR XXXXXXXXXX DATA SEQUENCE TTSSFSRLLL DHGVAEDRVH EAKRQVVREL FDLTVGGGRH PSEVDTDDVV DATA SEQUENCE RSVADRT 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2 G C 0.000 174.896 174.900 -0.007 0.000 0.946 2 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 3 A N 0.397 123.213 122.820 -0.006 0.000 2.425 3 A HA 0.668 4.988 4.320 0.000 0.000 0.242 3 A C -2.103 175.472 177.584 -0.015 0.000 1.077 3 A CA -0.576 51.453 52.037 -0.013 0.000 0.781 3 A CB -0.637 18.358 19.000 -0.009 0.000 1.020 3 A HN 0.372 nan 8.150 nan 0.000 0.494 4 P HA 0.104 nan 4.420 nan 0.000 0.261 4 P C 0.737 178.020 177.300 -0.029 0.000 1.183 4 P CA -0.078 62.998 63.100 -0.041 0.000 0.761 4 P CB 0.530 32.186 31.700 -0.073 0.000 0.785 5 V N 3.808 123.716 119.914 -0.010 0.000 2.488 5 V HA -0.079 4.041 4.120 0.000 0.000 0.246 5 V C 1.161 177.261 176.094 0.010 0.000 1.046 5 V CA 1.376 63.690 62.300 0.023 0.000 1.053 5 V CB -0.479 31.376 31.823 0.052 0.000 0.679 5 V HN 0.405 nan 8.190 nan 0.000 0.458 6 L N 0.821 122.019 121.223 -0.042 0.000 2.334 6 L HA 0.463 4.803 4.340 0.000 0.000 0.270 6 L C -2.196 174.487 176.870 -0.312 0.000 1.018 6 L CA -2.039 52.726 54.840 -0.125 0.000 0.811 6 L CB 1.156 43.220 42.059 0.007 0.000 1.271 6 L HN 0.018 nan 8.230 nan 0.000 0.443 7 P HA -0.028 nan 4.420 nan 0.000 0.269 7 P C 0.152 177.183 177.300 -0.448 0.000 1.217 7 P CA -0.131 62.642 63.100 -0.546 0.000 0.783 7 P CB 0.744 31.954 31.700 -0.817 0.000 0.898 8 A N 1.640 124.266 122.820 -0.323 0.000 1.978 8 A HA 0.168 4.488 4.320 0.000 0.000 0.220 8 A C 1.138 178.539 177.584 -0.304 0.000 1.170 8 A CA 1.848 53.720 52.037 -0.275 0.000 0.636 8 A CB -0.737 18.142 19.000 -0.202 0.000 0.810 8 A HN 0.800 nan 8.150 nan 0.000 0.448 9 A N -2.828 119.813 122.820 -0.299 0.000 2.520 9 A HA 0.648 4.968 4.320 0.000 0.000 0.298 9 A C -0.142 177.319 177.584 -0.205 0.000 1.051 9 A CA -0.591 51.309 52.037 -0.229 0.000 0.690 9 A CB 0.347 19.320 19.000 -0.046 0.000 1.281 9 A HN 0.105 nan 8.150 nan 0.000 0.402 10 F N 1.308 121.231 119.950 -0.046 0.000 2.317 10 F HA 0.421 4.948 4.527 0.000 0.000 0.293 10 F C 1.619 177.361 175.800 -0.096 0.000 1.085 10 F CA 0.756 58.727 58.000 -0.047 0.000 1.390 10 F CB 0.024 39.012 39.000 -0.021 0.000 1.077 10 F HN 0.842 nan 8.300 nan 0.000 0.517 11 G N -1.311 107.489 108.800 -0.000 0.000 2.619 11 G HA2 0.535 4.496 3.960 0.000 0.000 0.305 11 G HA3 0.535 4.496 3.960 0.000 0.000 0.305 11 G C -1.874 172.910 174.900 -0.193 0.000 1.330 11 G CA -0.438 44.496 45.100 -0.277 0.000 0.789 11 G HN 0.022 nan 8.290 nan 0.000 0.487 12 F N -2.345 117.463 119.950 -0.237 0.000 2.858 12 F HA 0.824 5.351 4.527 0.000 0.000 0.319 12 F C -2.224 173.689 175.800 0.189 0.000 1.166 12 F CA -1.547 56.435 58.000 -0.030 0.000 0.899 12 F CB 1.622 40.635 39.000 0.022 0.000 1.332 12 F HN 0.761 nan 8.300 nan 0.000 0.461 13 L N 2.067 123.692 121.223 0.670 0.000 2.439 13 L HA 0.962 5.303 4.340 0.000 0.000 0.270 13 L C -1.314 175.772 176.870 0.361 0.000 0.972 13 L CA -0.688 54.452 54.840 0.499 0.000 0.836 13 L CB 1.195 43.456 42.059 0.337 0.000 1.255 13 L HN 1.325 nan 8.230 nan 0.000 0.404 14 A N 3.092 126.095 122.820 0.305 0.000 2.469 14 A HA 1.002 5.323 4.320 0.000 0.000 0.299 14 A C -0.979 176.662 177.584 0.095 0.000 1.098 14 A CA 0.046 52.155 52.037 0.120 0.000 0.737 14 A CB 1.849 20.827 19.000 -0.037 0.000 1.312 14 A HN 1.118 nan 8.150 nan 0.000 0.414 15 S N -0.708 115.022 115.700 0.049 0.000 2.537 15 S HA 0.842 5.312 4.470 0.000 0.000 0.270 15 S C -0.769 173.845 174.600 0.023 0.000 1.142 15 S CA -0.096 58.129 58.200 0.041 0.000 0.870 15 S CB 1.517 64.743 63.200 0.042 0.000 1.112 15 S HN 2.284 nan 8.310 nan 0.000 0.466 16 A N 2.187 125.020 122.820 0.022 0.000 2.359 16 A HA 0.972 5.292 4.320 0.000 0.000 0.303 16 A C -0.118 177.478 177.584 0.019 0.000 1.066 16 A CA -0.866 51.181 52.037 0.017 0.000 0.730 16 A CB 1.100 20.109 19.000 0.015 0.000 1.211 16 A HN 1.298 nan 8.150 nan 0.000 0.439 17 R N -0.202 120.309 120.500 0.019 0.000 3.519 17 R HA 0.774 5.114 4.340 0.000 0.000 0.259 17 R C -1.000 175.313 176.300 0.020 0.000 0.988 17 R CA -0.141 55.972 56.100 0.021 0.000 0.836 17 R CB 0.874 31.188 30.300 0.024 0.000 1.632 17 R HN 0.766 nan 8.270 nan 0.000 0.406 18 T N -0.936 113.632 114.554 0.022 0.000 3.305 18 T HA 0.504 4.855 4.350 0.000 0.000 0.309 18 T C -0.684 174.029 174.700 0.022 0.000 0.889 18 T CA 0.259 62.371 62.100 0.020 0.000 1.386 18 T CB 0.093 68.972 68.868 0.018 0.000 0.929 18 T HN 1.184 nan 8.240 nan 0.000 0.538 19 G N 1.551 110.365 108.800 0.024 0.000 3.669 19 G HA2 0.355 4.315 3.960 0.000 0.000 0.230 19 G HA3 0.355 4.315 3.960 0.000 0.000 0.230 19 G C 0.419 175.337 174.900 0.029 0.000 2.671 19 G CA 0.012 45.127 45.100 0.026 0.000 0.975 19 G HN 0.975 nan 8.290 nan 0.000 0.448 25 G N 3.402 112.201 108.800 -0.003 0.000 2.343 25 G HA2 0.469 4.429 3.960 0.000 0.000 0.254 25 G HA3 0.469 4.429 3.960 0.000 0.000 0.254 25 G C -1.749 173.117 174.900 -0.057 0.000 1.277 25 G CA -0.568 44.533 45.100 0.001 0.000 0.909 25 G HN 0.476 nan 8.290 nan 0.000 0.502 26 P HA 0.156 nan 4.420 nan 0.000 0.268 26 P C -0.090 176.938 177.300 -0.454 0.000 1.205 26 P CA -0.092 62.755 63.100 -0.422 0.000 0.771 26 P CB 1.350 32.630 31.700 -0.700 0.000 0.858 27 V N 0.953 120.578 119.914 -0.483 0.000 2.311 27 V HA 0.536 4.656 4.120 0.000 0.000 0.275 27 V C -0.724 175.204 176.094 -0.277 0.000 1.022 27 V CA -0.623 61.540 62.300 -0.228 0.000 0.830 27 V CB -0.169 31.613 31.823 -0.067 0.000 1.012 27 V HN 0.179 nan 8.190 nan 0.000 0.452 28 F N 2.804 122.796 119.950 0.071 0.000 2.538 28 F HA 0.853 5.380 4.527 0.000 0.000 0.325 28 F C 1.090 176.795 175.800 -0.157 0.000 1.066 28 F CA -0.708 57.248 58.000 -0.073 0.000 0.946 28 F CB 2.228 41.197 39.000 -0.050 0.000 1.199 28 F HN 0.572 nan 8.300 nan 0.000 0.473 29 A N 0.445 123.083 122.820 -0.305 0.000 2.030 29 A HA 0.096 4.416 4.320 0.000 0.000 0.215 29 A C 0.926 178.375 177.584 -0.226 0.000 1.164 29 A CA 0.524 52.055 52.037 -0.843 0.000 0.697 29 A CB -0.719 17.353 19.000 -1.547 0.000 0.827 29 A HN 0.651 nan 8.150 nan 0.000 0.457 30 T N 1.313 115.789 114.554 -0.130 0.000 2.902 30 T HA 0.243 4.593 4.350 0.000 0.000 0.301 30 T C 0.288 175.038 174.700 0.083 0.000 1.012 30 T CA 0.031 62.083 62.100 -0.080 0.000 1.151 30 T CB 0.334 69.108 68.868 -0.156 0.000 0.946 30 T HN 0.466 nan 8.240 nan 0.000 0.542 31 R N 1.630 122.170 120.500 0.067 0.000 2.349 31 R HA 0.597 4.937 4.340 0.000 0.000 0.299 31 R C 0.223 176.633 176.300 0.183 0.000 1.027 31 R CA -0.034 56.148 56.100 0.137 0.000 0.958 31 R CB 0.393 30.749 30.300 0.094 0.000 1.047 31 R HN 0.899 nan 8.270 nan 0.000 0.468 32 G N 1.068 109.979 108.800 0.185 0.000 2.356 32 G HA2 0.014 3.974 3.960 0.000 0.000 0.300 32 G HA3 0.014 3.974 3.960 0.000 0.000 0.300 32 G C -1.485 173.465 174.900 0.083 0.000 1.331 32 G CA -0.907 44.275 45.100 0.137 0.000 0.905 32 G HN 0.561 nan 8.290 nan 0.000 0.587 33 S N -0.140 115.471 115.700 -0.148 0.000 2.576 33 S HA 0.446 4.916 4.470 0.000 0.000 0.276 33 S C -0.283 174.358 174.600 0.068 0.000 1.339 33 S CA -0.125 57.977 58.200 -0.164 0.000 1.039 33 S CB 0.369 63.336 63.200 -0.388 0.000 0.902 33 S HN 0.498 nan 8.310 nan 0.000 0.516 34 H N 1.087 120.161 119.070 0.006 0.000 2.595 34 H HA 0.351 4.907 4.556 0.000 0.000 0.313 34 H C -0.622 174.796 175.328 0.150 0.000 1.023 34 H CA -0.596 55.529 56.048 0.128 0.000 1.218 34 H CB 1.014 30.865 29.762 0.149 0.000 1.403 34 H HN 0.403 nan 8.280 nan 0.000 0.477 35 T N 3.562 118.306 114.554 0.317 0.000 2.809 35 T HA 0.105 4.455 4.350 0.000 0.000 0.284 35 T C -0.368 174.427 174.700 0.157 0.000 0.992 35 T CA -0.904 61.338 62.100 0.236 0.000 0.957 35 T CB 1.240 70.269 68.868 0.269 0.000 0.942 35 T HN 0.506 nan 8.240 nan 0.000 0.439 36 D N 2.706 123.176 120.400 0.117 0.000 2.304 36 D HA 0.372 5.012 4.640 0.000 0.000 0.250 36 D C 0.791 177.119 176.300 0.047 0.000 1.107 36 D CA -0.435 53.614 54.000 0.082 0.000 0.885 36 D CB 0.679 41.523 40.800 0.072 0.000 1.192 36 D HN 0.569 nan 8.370 nan 0.000 0.436 37 I N -1.598 118.988 120.570 0.026 0.000 2.834 37 I HA 0.371 4.541 4.170 0.000 0.000 0.305 37 I C 0.050 176.168 176.117 0.002 0.000 1.008 37 I CA -0.830 60.470 61.300 0.001 0.000 1.273 37 I CB 0.799 38.786 38.000 -0.021 0.000 1.432 37 I HN 0.023 nan 8.210 nan 0.000 0.557 38 D N 2.551 122.947 120.400 -0.006 0.000 2.362 38 D HA 0.179 4.819 4.640 0.000 0.000 0.242 38 D C 0.137 176.434 176.300 -0.005 0.000 1.132 38 D CA 0.282 54.280 54.000 -0.003 0.000 0.907 38 D CB 1.227 42.022 40.800 -0.008 0.000 1.195 38 D HN 0.755 nan 8.370 nan 0.000 0.429 39 T N -1.681 112.872 114.554 -0.001 0.000 3.327 39 T HA 0.289 4.639 4.350 0.000 0.000 0.373 39 T C -1.725 172.974 174.700 -0.001 0.000 1.589 39 T CA -1.281 60.818 62.100 -0.001 0.000 1.497 39 T CB 1.354 70.225 68.868 0.005 0.000 1.032 39 T HN 0.115 nan 8.240 nan 0.000 0.640 40 P HA -0.109 nan 4.420 nan 0.000 0.220 40 P C 0.681 177.980 177.300 -0.003 0.000 1.148 40 P CA 1.054 64.151 63.100 -0.004 0.000 0.803 40 P CB 0.254 31.949 31.700 -0.008 0.000 0.782 41 Q N -0.396 119.402 119.800 -0.003 0.000 2.222 41 Q HA 0.350 4.691 4.340 0.000 0.000 0.206 41 Q C 1.294 177.295 176.000 0.002 0.000 0.877 41 Q CA 0.427 56.230 55.803 -0.001 0.000 0.958 41 Q CB -0.051 28.686 28.738 -0.002 0.000 1.075 41 Q HN 0.248 nan 8.270 nan 0.000 0.483 42 G N 2.275 111.077 108.800 0.003 0.000 2.622 42 G HA2 -0.458 3.502 3.960 0.000 0.000 0.307 42 G HA3 -0.458 3.502 3.960 0.000 0.000 0.307 42 G C 0.795 175.700 174.900 0.008 0.000 1.226 42 G CA 0.486 45.590 45.100 0.006 0.000 0.997 42 G HN 0.545 nan 8.290 nan 0.000 0.551 43 E N 0.922 121.128 120.200 0.010 0.000 2.482 43 E HA 0.076 4.426 4.350 0.000 0.000 0.196 43 E C 2.184 178.790 176.600 0.010 0.000 1.047 43 E CA 0.779 57.186 56.400 0.012 0.000 0.869 43 E CB 0.005 29.714 29.700 0.014 0.000 0.836 43 E HN 0.585 nan 8.360 nan 0.000 0.520 44 R N 1.407 121.911 120.500 0.007 0.000 2.297 44 R HA 0.068 4.408 4.340 0.000 0.000 0.197 44 R C 0.874 177.176 176.300 0.003 0.000 0.943 44 R CA 0.403 56.507 56.100 0.006 0.000 1.038 44 R CB 0.332 30.635 30.300 0.005 0.000 0.957 44 R HN 0.157 nan 8.270 nan 0.000 0.484 45 S N 0.399 116.101 115.700 0.002 0.000 2.693 45 S HA 0.300 4.770 4.470 0.000 0.000 0.276 45 S C -0.174 174.423 174.600 -0.004 0.000 1.192 45 S CA -0.964 57.234 58.200 -0.003 0.000 0.994 45 S CB 1.297 64.495 63.200 -0.004 0.000 1.012 45 S HN 0.064 nan 8.310 nan 0.000 0.550 46 L N 1.567 122.783 121.223 -0.012 0.000 2.290 46 L HA 0.682 5.022 4.340 0.000 0.000 0.284 46 L C 0.026 176.886 176.870 -0.017 0.000 1.078 46 L CA -0.200 54.629 54.840 -0.018 0.000 0.815 46 L CB 0.245 42.282 42.059 -0.037 0.000 1.162 46 L HN 0.925 nan 8.230 nan 0.000 0.435 47 A N 4.648 127.465 122.820 -0.005 0.000 2.306 47 A HA 0.944 5.264 4.320 0.000 0.000 0.314 47 A C -0.546 177.042 177.584 0.007 0.000 1.164 47 A CA 0.088 52.129 52.037 0.007 0.000 0.822 47 A CB 0.918 19.932 19.000 0.022 0.000 1.130 47 A HN 1.366 nan 8.150 nan 0.000 0.496 48 A N 1.215 124.045 122.820 0.016 0.000 2.577 48 A HA 0.687 5.007 4.320 0.000 0.000 0.297 48 A C -0.545 177.086 177.584 0.078 0.000 1.060 48 A CA -0.378 51.679 52.037 0.033 0.000 0.697 48 A CB 0.996 19.964 19.000 -0.054 0.000 1.281 48 A HN 0.835 nan 8.150 nan 0.000 0.402 49 T N 2.946 117.587 114.554 0.146 0.000 2.772 49 T HA 0.573 4.923 4.350 0.000 0.000 0.288 49 T C -0.323 174.516 174.700 0.233 0.000 0.994 49 T CA -0.131 62.074 62.100 0.176 0.000 0.951 49 T CB 0.200 69.174 68.868 0.176 0.000 0.933 49 T HN 0.468 nan 8.240 nan 0.000 0.447 50 L N 3.060 124.400 121.223 0.195 0.000 2.309 50 L HA 0.731 5.071 4.340 0.000 0.000 0.282 50 L C 0.064 177.049 176.870 0.192 0.000 1.036 50 L CA -1.225 53.731 54.840 0.193 0.000 0.806 50 L CB 1.413 43.558 42.059 0.143 0.000 1.220 50 L HN 0.306 nan 8.230 nan 0.000 0.429 51 V N 3.279 123.226 119.914 0.055 0.000 2.370 51 V HA 0.567 4.687 4.120 0.000 0.000 0.283 51 V C -0.714 175.424 176.094 0.073 0.000 1.023 51 V CA 0.014 62.329 62.300 0.024 0.000 0.857 51 V CB 0.997 32.706 31.823 -0.191 0.000 0.985 51 V HN 0.995 nan 8.190 nan 0.000 0.443 52 H N 4.173 123.235 119.070 -0.013 0.000 2.966 52 H HA 0.842 5.398 4.556 0.000 0.000 0.330 52 H C -0.241 174.960 175.328 -0.212 0.000 1.292 52 H CA -0.491 55.379 56.048 -0.296 0.000 1.127 52 H CB 1.383 30.987 29.762 -0.264 0.000 1.863 52 H HN 0.828 nan 8.280 nan 0.000 0.543 53 A N 1.503 124.121 122.820 -0.337 0.000 2.545 53 A HA 0.263 4.584 4.320 0.000 0.000 0.253 53 A C -2.319 175.269 177.584 0.007 0.000 1.074 53 A CA -0.870 51.113 52.037 -0.090 0.000 0.760 53 A CB -0.917 18.012 19.000 -0.119 0.000 1.005 53 A HN 0.600 nan 8.150 nan 0.000 0.506 54 P HA 0.059 nan 4.420 nan 0.000 0.265 54 P C 0.800 178.125 177.300 0.042 0.000 1.193 54 P CA 1.604 64.702 63.100 -0.004 0.000 0.765 54 P CB 0.780 32.481 31.700 0.000 0.000 0.823 55 S N 0.094 115.832 115.700 0.063 0.000 2.857 55 S HA -0.142 4.328 4.470 0.000 0.000 0.268 55 S C -0.044 174.587 174.600 0.050 0.000 1.297 55 S CA 1.014 59.246 58.200 0.053 0.000 1.280 55 S CB -2.325 60.894 63.200 0.030 0.000 1.562 55 S HN 0.196 nan 8.310 nan 0.000 0.661 56 V N 2.538 122.498 119.914 0.076 0.000 2.304 56 V HA 0.807 4.927 4.120 0.000 0.000 0.278 56 V C 0.875 176.942 176.094 -0.044 0.000 1.018 56 V CA -0.500 61.808 62.300 0.013 0.000 0.814 56 V CB 0.579 32.391 31.823 -0.019 0.000 1.021 56 V HN 0.980 nan 8.190 nan 0.000 0.440 57 A N 7.681 130.450 122.820 -0.086 0.000 2.567 57 A HA 0.288 4.608 4.320 0.000 0.000 0.240 57 A C -0.771 176.624 177.584 -0.314 0.000 1.053 57 A CA -0.428 51.493 52.037 -0.193 0.000 0.755 57 A CB -0.018 18.915 19.000 -0.112 0.000 0.978 57 A HN 0.709 nan 8.150 nan 0.000 0.507 58 P HA 0.020 nan 4.420 nan 0.000 0.258 58 P C -0.151 177.001 177.300 -0.247 0.000 1.403 58 P CA 0.173 63.004 63.100 -0.448 0.000 0.826 58 P CB 0.170 31.492 31.700 -0.630 0.000 1.414 59 D N 1.117 121.403 120.400 -0.191 0.000 2.149 59 D HA -0.176 4.464 4.640 0.000 0.000 0.194 59 D C 1.917 178.148 176.300 -0.116 0.000 1.001 59 D CA 1.263 55.186 54.000 -0.129 0.000 0.849 59 D CB -0.387 40.352 40.800 -0.103 0.000 0.939 59 D HN 0.244 nan 8.370 nan 0.000 0.449 60 R N -0.106 120.319 120.500 -0.124 0.000 2.328 60 R HA 0.123 4.463 4.340 0.000 0.000 0.207 60 R C 1.472 177.705 176.300 -0.111 0.000 1.056 60 R CA 0.709 56.743 56.100 -0.111 0.000 1.016 60 R CB 0.085 30.316 30.300 -0.115 0.000 0.872 60 R HN 0.092 nan 8.270 nan 0.000 0.471 61 A N 0.374 123.122 122.820 -0.119 0.000 2.308 61 A HA 0.187 4.507 4.320 0.000 0.000 0.217 61 A C 0.297 177.829 177.584 -0.087 0.000 1.216 61 A CA 0.033 52.011 52.037 -0.098 0.000 0.864 61 A CB 0.664 19.605 19.000 -0.098 0.000 0.902 61 A HN -0.012 nan 8.150 nan 0.000 0.499 62 V N -0.389 119.472 119.914 -0.089 0.000 2.735 62 V HA 0.793 4.913 4.120 0.000 0.000 0.310 62 V C -0.141 175.911 176.094 -0.069 0.000 1.061 62 V CA -0.272 61.980 62.300 -0.080 0.000 0.913 62 V CB 1.402 33.179 31.823 -0.078 0.000 1.005 62 V HN 0.481 nan 8.190 nan 0.000 0.428 63 A N 4.499 127.282 122.820 -0.062 0.000 2.549 63 A HA 0.947 5.267 4.320 0.000 0.000 0.297 63 A C -0.808 176.749 177.584 -0.045 0.000 1.061 63 A CA -0.826 51.179 52.037 -0.053 0.000 0.690 63 A CB 1.939 20.907 19.000 -0.053 0.000 1.287 63 A HN 0.814 nan 8.150 nan 0.000 0.402 64 R N 0.506 120.982 120.500 -0.040 0.000 2.837 64 R HA 0.654 4.994 4.340 0.000 0.000 0.271 64 R C 0.067 176.349 176.300 -0.030 0.000 0.993 64 R CA -0.454 55.626 56.100 -0.033 0.000 0.931 64 R CB 2.048 32.329 30.300 -0.031 0.000 1.206 64 R HN 0.952 nan 8.270 nan 0.000 0.474 65 S N 1.026 116.711 115.700 -0.025 0.000 2.573 65 S HA 0.047 4.517 4.470 0.000 0.000 0.277 65 S C 0.909 175.495 174.600 -0.024 0.000 1.346 65 S CA -0.467 57.718 58.200 -0.024 0.000 1.034 65 S CB 0.474 63.662 63.200 -0.020 0.000 0.879 65 S HN 0.460 nan 8.310 nan 0.000 0.528 66 L N 2.201 123.409 121.223 -0.025 0.000 2.591 66 L HA 0.111 4.451 4.340 0.000 0.000 0.228 66 L C 2.067 178.925 176.870 -0.020 0.000 1.133 66 L CA 1.143 55.968 54.840 -0.024 0.000 0.880 66 L CB -1.403 40.641 42.059 -0.026 0.000 1.033 66 L HN 1.072 nan 8.230 nan 0.000 0.450 67 T N -4.873 109.670 114.554 -0.019 0.000 3.145 67 T HA 0.267 4.617 4.350 0.000 0.000 0.255 67 T C 1.350 176.041 174.700 -0.014 0.000 1.039 67 T CA 0.350 62.440 62.100 -0.016 0.000 0.928 67 T CB 0.363 69.221 68.868 -0.016 0.000 1.029 67 T HN 0.345 nan 8.240 nan 0.000 0.554 68 G N 1.083 109.874 108.800 -0.015 0.000 2.168 68 G HA2 -0.055 3.906 3.960 0.000 0.000 0.257 68 G HA3 -0.055 3.906 3.960 0.000 0.000 0.257 68 G C 0.310 175.203 174.900 -0.011 0.000 0.997 68 G CA 0.020 45.112 45.100 -0.013 0.000 0.708 68 G HN 1.188 nan 8.290 nan 0.000 0.520 69 A N -0.286 122.527 122.820 -0.012 0.000 2.252 69 A HA 0.820 5.140 4.320 0.000 0.000 0.305 69 A C -1.667 175.911 177.584 -0.010 0.000 1.097 69 A CA -1.328 50.704 52.037 -0.010 0.000 0.849 69 A CB 0.724 19.718 19.000 -0.009 0.000 1.142 69 A HN 0.056 nan 8.150 nan 0.000 0.499 70 P HA 0.153 nan 4.420 nan 0.000 0.237 70 P C -0.817 176.479 177.300 -0.007 0.000 1.701 70 P CA 0.805 63.901 63.100 -0.006 0.000 0.955 70 P CB -0.207 31.492 31.700 -0.003 0.000 1.937 71 T N 0.461 115.008 114.554 -0.010 0.000 2.841 71 T HA 0.516 4.866 4.350 0.000 0.000 0.285 71 T C -0.314 174.375 174.700 -0.018 0.000 0.991 71 T CA -0.272 61.821 62.100 -0.011 0.000 0.966 71 T CB 1.335 70.196 68.868 -0.011 0.000 0.962 71 T HN -0.108 nan 8.240 nan 0.000 0.438 72 T N 2.222 116.764 114.554 -0.020 0.000 2.952 72 T HA 0.762 5.112 4.350 0.000 0.000 0.305 72 T C -0.945 173.733 174.700 -0.037 0.000 1.064 72 T CA -0.689 61.392 62.100 -0.032 0.000 1.008 72 T CB 1.770 70.615 68.868 -0.038 0.000 1.078 72 T HN 0.738 nan 8.240 nan 0.000 0.459 73 A N 2.095 124.888 122.820 -0.045 0.000 2.365 73 A HA 0.894 5.214 4.320 0.000 0.000 0.318 73 A C -0.989 176.543 177.584 -0.087 0.000 1.091 73 A CA -0.674 51.336 52.037 -0.046 0.000 0.763 73 A CB 1.352 20.342 19.000 -0.016 0.000 1.248 73 A HN 0.669 nan 8.150 nan 0.000 0.442 74 V N 2.481 122.310 119.914 -0.141 0.000 2.588 74 V HA 0.607 4.727 4.120 0.000 0.000 0.304 74 V C -0.773 175.227 176.094 -0.157 0.000 1.042 74 V CA -0.419 61.754 62.300 -0.212 0.000 0.877 74 V CB 1.618 33.194 31.823 -0.411 0.000 0.996 74 V HN 0.858 nan 8.190 nan 0.000 0.425 75 L N 4.285 125.489 121.223 -0.031 0.000 2.410 75 L HA 0.943 5.283 4.340 0.000 0.000 0.270 75 L C -0.192 176.798 176.870 0.199 0.000 0.983 75 L CA -0.305 54.611 54.840 0.127 0.000 0.822 75 L CB 1.775 43.871 42.059 0.062 0.000 1.285 75 L HN 0.738 nan 8.230 nan 0.000 0.409 76 A N 3.576 126.615 122.820 0.365 0.000 2.305 76 A HA 0.909 5.230 4.320 0.000 0.000 0.322 76 A C 0.367 178.068 177.584 0.195 0.000 1.187 76 A CA 0.358 52.544 52.037 0.248 0.000 0.825 76 A CB 0.917 20.043 19.000 0.210 0.000 1.164 76 A HN 1.480 nan 8.150 nan 0.000 0.498 77 G N 1.202 110.030 108.800 0.046 0.000 2.472 77 G HA2 0.209 4.169 3.960 0.000 0.000 0.205 77 G HA3 0.209 4.169 3.960 0.000 0.000 0.205 77 G C -0.541 174.311 174.900 -0.081 0.000 1.270 77 G CA 0.052 45.171 45.100 0.031 0.000 0.974 77 G HN 1.728 nan 8.290 nan 0.000 0.542 78 E N -1.539 118.653 120.200 -0.014 0.000 2.445 78 E HA 0.725 5.075 4.350 0.000 0.000 0.279 78 E C -1.198 175.237 176.600 -0.274 0.000 1.018 78 E CA -1.194 55.109 56.400 -0.162 0.000 0.816 78 E CB 1.966 31.542 29.700 -0.208 0.000 1.356 78 E HN 0.715 nan 8.360 nan 0.000 0.462 79 I N 1.315 121.686 120.570 -0.331 0.000 2.493 79 I HA 0.233 4.403 4.170 0.000 0.000 0.298 79 I C -0.404 175.512 176.117 -0.336 0.000 0.998 79 I CA -0.744 60.355 61.300 -0.335 0.000 1.137 79 I CB 1.117 38.980 38.000 -0.228 0.000 1.310 79 I HN 0.574 nan 8.210 nan 0.000 0.445 80 Y N 2.108 122.460 120.300 0.087 0.000 2.522 80 Y HA 0.020 4.571 4.550 0.000 0.000 0.277 80 Y C 1.497 177.418 175.900 0.034 0.000 1.104 80 Y CA -0.189 57.950 58.100 0.066 0.000 1.260 80 Y CB -0.184 38.327 38.460 0.084 0.000 1.151 80 Y HN 0.549 nan 8.280 nan 0.000 0.539 81 N N 1.595 120.383 118.700 0.146 0.000 3.052 81 N HA 0.062 4.802 4.740 0.000 0.000 0.302 81 N C 0.710 176.242 175.510 0.036 0.000 1.332 81 N CA -0.062 53.037 53.050 0.082 0.000 1.129 81 N CB -0.187 38.337 38.487 0.060 0.000 1.436 81 N HN 0.280 nan 8.380 nan 0.000 0.536 82 R N 0.280 120.801 120.500 0.034 0.000 2.083 82 R HA -0.099 4.241 4.340 0.000 0.000 0.237 82 R C 0.740 177.043 176.300 0.004 0.000 1.137 82 R CA 1.599 57.702 56.100 0.004 0.000 0.951 82 R CB -0.045 30.256 30.300 0.002 0.000 0.851 82 R HN 0.324 nan 8.270 nan 0.000 0.434 83 D N 0.568 120.977 120.400 0.015 0.000 2.123 83 D HA -0.159 4.481 4.640 0.000 0.000 0.196 83 D C 1.825 178.131 176.300 0.010 0.000 0.992 83 D CA 1.332 55.339 54.000 0.011 0.000 0.833 83 D CB -0.107 40.702 40.800 0.014 0.000 0.954 83 D HN 0.208 nan 8.370 nan 0.000 0.455 84 E N 0.548 120.755 120.200 0.013 0.000 2.058 84 E HA -0.097 4.253 4.350 0.000 0.000 0.194 84 E C 2.379 178.983 176.600 0.007 0.000 0.997 84 E CA 0.459 56.866 56.400 0.011 0.000 0.801 84 E CB -0.330 29.377 29.700 0.012 0.000 0.746 84 E HN 0.280 nan 8.360 nan 0.000 0.450 85 L N -0.005 121.218 121.223 -0.001 0.000 2.056 85 L HA -0.149 4.191 4.340 0.000 0.000 0.207 85 L C 2.313 179.187 176.870 0.006 0.000 1.078 85 L CA 0.811 55.647 54.840 -0.007 0.000 0.749 85 L CB -0.427 41.614 42.059 -0.031 0.000 0.901 85 L HN 0.163 nan 8.230 nan 0.000 0.433 86 L N -0.201 121.021 121.223 -0.000 0.000 2.131 86 L HA -0.190 4.150 4.340 0.000 0.000 0.210 86 L C 2.802 179.678 176.870 0.009 0.000 1.092 86 L CA 1.459 56.299 54.840 -0.000 0.000 0.759 86 L CB -0.587 41.469 42.059 -0.005 0.000 0.903 86 L HN 0.396 nan 8.230 nan 0.000 0.435 87 S N -0.387 115.322 115.700 0.014 0.000 2.507 87 S HA -0.080 4.390 4.470 0.000 0.000 0.235 87 S C 1.489 176.107 174.600 0.031 0.000 0.988 87 S CA 0.829 59.039 58.200 0.018 0.000 0.944 87 S CB -0.446 62.764 63.200 0.016 0.000 0.762 87 S HN 0.352 nan 8.310 nan 0.000 0.526 88 V N -1.824 118.120 119.914 0.051 0.000 3.376 88 V HA 0.532 4.652 4.120 0.000 0.000 0.313 88 V C -0.086 176.053 176.094 0.075 0.000 1.393 88 V CA -0.611 61.744 62.300 0.091 0.000 1.125 88 V CB -0.683 31.244 31.823 0.173 0.000 1.037 88 V HN 0.224 nan 8.190 nan 0.000 0.440 89 L N 2.494 123.738 121.223 0.035 0.000 2.343 89 L HA 0.688 5.028 4.340 0.000 0.000 0.275 89 L C -1.670 175.192 176.870 -0.014 0.000 1.056 89 L CA -1.916 52.926 54.840 0.003 0.000 0.804 89 L CB 0.672 42.730 42.059 -0.002 0.000 1.203 89 L HN 0.122 nan 8.230 nan 0.000 0.440 90 P HA 0.040 nan 4.420 nan 0.000 0.270 90 P C -1.017 176.269 177.300 -0.023 0.000 1.216 90 P CA -0.488 62.593 63.100 -0.031 0.000 0.788 90 P CB 0.317 31.991 31.700 -0.042 0.000 0.883 91 A N 1.543 124.351 122.820 -0.020 0.000 2.457 91 A HA 0.505 4.825 4.320 0.000 0.000 0.298 91 A C 1.098 178.672 177.584 -0.017 0.000 1.288 91 A CA 0.382 52.409 52.037 -0.016 0.000 0.956 91 A CB -1.451 17.541 19.000 -0.013 0.000 1.135 91 A HN 0.919 nan 8.150 nan 0.000 0.535 92 G N 3.694 112.484 108.800 -0.017 0.000 3.158 92 G HA2 -0.051 3.909 3.960 0.000 0.000 0.538 92 G HA3 -0.051 3.909 3.960 0.000 0.000 0.538 92 G C -1.528 173.361 174.900 -0.018 0.000 1.591 92 G CA -0.274 44.816 45.100 -0.017 0.000 1.111 92 G HN 1.037 nan 8.290 nan 0.000 0.573 93 P HA 0.531 nan 4.420 nan 0.000 0.266 93 P C 0.467 177.754 177.300 -0.023 0.000 1.215 93 P CA 0.417 63.505 63.100 -0.020 0.000 0.763 93 P CB 0.540 32.228 31.700 -0.020 0.000 0.806 94 A N 6.123 128.931 122.820 -0.021 0.000 2.547 94 A HA 0.282 4.602 4.320 0.000 0.000 0.233 94 A C -1.673 175.894 177.584 -0.029 0.000 1.067 94 A CA -0.788 51.234 52.037 -0.024 0.000 0.763 94 A CB -0.959 18.028 19.000 -0.021 0.000 1.007 94 A HN 0.518 nan 8.150 nan 0.000 0.506 95 P HA 0.272 nan 4.420 nan 0.000 0.275 95 P C -0.811 176.463 177.300 -0.043 0.000 1.228 95 P CA -0.090 62.986 63.100 -0.041 0.000 0.786 95 P CB 0.772 32.444 31.700 -0.047 0.000 0.927 96 E N 0.789 120.961 120.200 -0.047 0.000 2.035 96 E HA 0.571 4.921 4.350 0.000 0.000 0.271 96 E C 0.267 176.830 176.600 -0.061 0.000 0.953 96 E CA 0.203 56.573 56.400 -0.050 0.000 0.777 96 E CB 0.128 29.800 29.700 -0.047 0.000 1.104 96 E HN 0.796 nan 8.360 nan 0.000 0.408 97 G N 2.915 111.675 108.800 -0.067 0.000 2.587 97 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 97 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 97 G C 0.008 174.855 174.900 -0.089 0.000 1.236 97 G CA -0.685 44.366 45.100 -0.081 0.000 0.820 97 G HN 0.386 nan 8.290 nan 0.000 0.645 98 D N 0.256 120.593 120.400 -0.105 0.000 2.224 98 D HA 0.083 4.723 4.640 0.000 0.000 0.205 98 D C 2.641 178.869 176.300 -0.120 0.000 0.965 98 D CA 1.659 55.584 54.000 -0.126 0.000 0.852 98 D CB -0.175 40.534 40.800 -0.153 0.000 0.947 98 D HN 0.812 nan 8.370 nan 0.000 0.494 99 A N 1.024 123.787 122.820 -0.096 0.000 1.898 99 A HA -0.187 4.133 4.320 0.000 0.000 0.216 99 A C 2.089 179.628 177.584 -0.075 0.000 1.181 99 A CA 1.264 53.255 52.037 -0.077 0.000 0.620 99 A CB -0.423 18.535 19.000 -0.070 0.000 0.819 99 A HN 0.148 nan 8.150 nan 0.000 0.442 100 E N -0.877 119.278 120.200 -0.074 0.000 2.106 100 E HA -0.146 4.204 4.350 0.000 0.000 0.192 100 E C 1.927 178.484 176.600 -0.072 0.000 0.984 100 E CA 0.995 57.356 56.400 -0.066 0.000 0.806 100 E CB -0.187 29.477 29.700 -0.060 0.000 0.750 100 E HN 0.491 nan 8.360 nan 0.000 0.458 101 L N 0.629 121.802 121.223 -0.083 0.000 2.046 101 L HA -0.170 4.170 4.340 0.000 0.000 0.208 101 L C 2.161 178.967 176.870 -0.107 0.000 1.077 101 L CA 1.418 56.205 54.840 -0.087 0.000 0.747 101 L CB -0.392 41.608 42.059 -0.098 0.000 0.896 101 L HN -0.055 nan 8.230 nan 0.000 0.432 102 V N -0.619 119.217 119.914 -0.131 0.000 2.295 102 V HA -0.270 3.850 4.120 0.000 0.000 0.246 102 V C 2.496 178.509 176.094 -0.135 0.000 1.049 102 V CA 1.732 63.933 62.300 -0.165 0.000 1.024 102 V CB -0.683 31.066 31.823 -0.122 0.000 0.648 102 V HN 0.480 nan 8.190 nan 0.000 0.447 103 L N 0.080 121.252 121.223 -0.085 0.000 2.046 103 L HA -0.110 4.231 4.340 0.000 0.000 0.208 103 L C 2.599 179.430 176.870 -0.065 0.000 1.077 103 L CA 1.878 56.679 54.840 -0.065 0.000 0.747 103 L CB -0.815 41.215 42.059 -0.048 0.000 0.896 103 L HN 0.185 nan 8.230 nan 0.000 0.432 104 R N -0.579 119.883 120.500 -0.063 0.000 2.092 104 R HA -0.055 4.285 4.340 0.000 0.000 0.231 104 R C 2.270 178.542 176.300 -0.045 0.000 1.119 104 R CA 1.308 57.376 56.100 -0.052 0.000 0.970 104 R CB -0.947 29.326 30.300 -0.045 0.000 0.864 104 R HN 0.406 nan 8.270 nan 0.000 0.440 105 L N 0.478 121.674 121.223 -0.045 0.000 2.093 105 L HA -0.124 4.217 4.340 0.000 0.000 0.208 105 L C 2.430 179.309 176.870 0.015 0.000 1.085 105 L CA 0.944 55.796 54.840 0.020 0.000 0.755 105 L CB -0.422 41.607 42.059 -0.049 0.000 0.904 105 L HN 0.094 nan 8.230 nan 0.000 0.435 106 L N -0.539 120.633 121.223 -0.086 0.000 2.093 106 L HA -0.190 4.150 4.340 0.000 0.000 0.208 106 L C 2.453 179.295 176.870 -0.046 0.000 1.085 106 L CA 1.177 55.967 54.840 -0.084 0.000 0.755 106 L CB -0.452 41.547 42.059 -0.099 0.000 0.904 106 L HN 0.280 nan 8.230 nan 0.000 0.435 107 E N -0.328 119.839 120.200 -0.055 0.000 2.204 107 E HA -0.254 4.097 4.350 0.000 0.000 0.195 107 E C 2.165 178.706 176.600 -0.098 0.000 0.990 107 E CA 0.911 57.273 56.400 -0.062 0.000 0.821 107 E CB -0.006 29.658 29.700 -0.059 0.000 0.750 107 E HN 0.364 nan 8.360 nan 0.000 0.477 108 R N -0.582 119.830 120.500 -0.146 0.000 2.146 108 R HA -0.002 4.338 4.340 0.000 0.000 0.206 108 R C 0.951 176.989 176.300 -0.436 0.000 1.049 108 R CA 0.716 56.614 56.100 -0.337 0.000 1.029 108 R CB 0.320 30.311 30.300 -0.514 0.000 0.949 108 R HN 0.123 nan 8.270 nan 0.000 0.471 109 Y N -0.033 120.252 120.300 -0.026 0.000 2.500 109 Y HA 0.273 4.823 4.550 0.000 0.000 0.246 109 Y C 0.231 176.158 175.900 0.044 0.000 1.146 109 Y CA -0.063 58.049 58.100 0.021 0.000 1.230 109 Y CB 0.401 38.870 38.460 0.015 0.000 1.214 109 Y HN 0.133 nan 8.280 nan 0.000 0.526 110 D N -0.088 120.367 120.400 0.091 0.000 3.301 110 D HA -0.302 4.338 4.640 0.000 0.000 0.217 110 D C 1.028 177.305 176.300 -0.038 0.000 1.548 110 D CA 1.822 55.833 54.000 0.017 0.000 1.118 110 D CB -0.640 40.171 40.800 0.018 0.000 0.684 110 D HN 0.097 nan 8.370 nan 0.000 0.821 111 L N -1.096 120.061 121.223 -0.110 0.000 2.349 111 L HA 0.050 4.390 4.340 0.000 0.000 0.220 111 L C 2.003 178.816 176.870 -0.095 0.000 1.130 111 L CA 1.671 56.471 54.840 -0.066 0.000 0.791 111 L CB -0.931 41.060 42.059 -0.113 0.000 0.918 111 L HN 0.407 nan 8.230 nan 0.000 0.444 112 H N 0.705 119.798 119.070 0.038 0.000 2.546 112 H HA 0.178 4.734 4.556 0.000 0.000 0.277 112 H C 2.287 177.587 175.328 -0.048 0.000 1.004 112 H CA 0.910 56.976 56.048 0.031 0.000 1.231 112 H CB -0.045 29.745 29.762 0.047 0.000 1.382 112 H HN 0.570 nan 8.280 nan 0.000 0.580 113 A N 0.994 123.785 122.820 -0.049 0.000 1.948 113 A HA -0.189 4.131 4.320 0.000 0.000 0.220 113 A C 1.851 179.272 177.584 -0.272 0.000 1.177 113 A CA 1.296 53.187 52.037 -0.244 0.000 0.636 113 A CB -1.011 17.755 19.000 -0.390 0.000 0.815 113 A HN 0.209 nan 8.150 nan 0.000 0.449 114 F N -0.115 119.874 119.950 0.065 0.000 2.451 114 F HA -0.056 4.472 4.527 0.000 0.000 0.299 114 F C 2.341 178.226 175.800 0.140 0.000 1.101 114 F CA 1.114 59.190 58.000 0.126 0.000 1.436 114 F CB -0.328 38.780 39.000 0.179 0.000 1.074 114 F HN 0.161 nan 8.300 nan 0.000 0.553 115 R N -0.071 120.566 120.500 0.229 0.000 2.235 115 R HA -0.020 4.321 4.340 0.000 0.000 0.213 115 R C 1.690 178.058 176.300 0.113 0.000 1.059 115 R CA 0.797 57.015 56.100 0.196 0.000 0.997 115 R CB -0.307 30.083 30.300 0.150 0.000 0.884 115 R HN 0.350 nan 8.270 nan 0.000 0.462 116 L N 0.171 121.404 121.223 0.017 0.000 2.416 116 L HA 0.103 4.443 4.340 0.000 0.000 0.216 116 L C 0.332 177.211 176.870 0.015 0.000 1.098 116 L CA -0.032 54.782 54.840 -0.042 0.000 0.840 116 L CB 0.360 42.301 42.059 -0.196 0.000 0.981 116 L HN -0.126 nan 8.230 nan 0.000 0.462 117 V N 1.532 121.494 119.914 0.079 0.000 2.455 117 V HA 0.067 4.187 4.120 0.000 0.000 0.273 117 V C -0.097 176.118 176.094 0.202 0.000 1.045 117 V CA -0.322 62.043 62.300 0.109 0.000 0.976 117 V CB 0.845 32.725 31.823 0.095 0.000 0.993 117 V HN 0.259 nan 8.190 nan 0.000 0.475 118 N N 4.382 123.167 118.700 0.141 0.000 2.546 118 N HA 0.628 5.369 4.740 0.000 0.000 0.238 118 N C -0.049 175.622 175.510 0.268 0.000 0.984 118 N CA 0.256 53.403 53.050 0.162 0.000 0.935 118 N CB 1.221 39.758 38.487 0.082 0.000 1.122 118 N HN 0.808 nan 8.380 nan 0.000 0.510 119 G N 1.609 110.657 108.800 0.413 0.000 2.846 119 G HA2 0.478 4.438 3.960 0.000 0.000 0.299 119 G HA3 0.478 4.438 3.960 0.000 0.000 0.299 119 G C -1.479 173.646 174.900 0.375 0.000 1.242 119 G CA -0.816 44.455 45.100 0.285 0.000 0.800 119 G HN 0.469 nan 8.290 nan 0.000 0.538 120 R N -0.150 120.526 120.500 0.293 0.000 2.721 120 R HA 0.537 4.877 4.340 0.000 0.000 0.272 120 R C -1.457 175.042 176.300 0.331 0.000 1.721 120 R CA -0.558 55.708 56.100 0.277 0.000 1.325 120 R CB 0.109 30.664 30.300 0.424 0.000 1.271 120 R HN 0.636 nan 8.270 nan 0.000 0.556 121 F N 0.253 120.266 119.950 0.105 0.000 2.779 121 F HA 0.904 5.431 4.527 0.000 0.000 0.316 121 F C -1.899 173.948 175.800 0.078 0.000 1.164 121 F CA -1.168 56.892 58.000 0.100 0.000 0.924 121 F CB 1.213 40.256 39.000 0.072 0.000 1.348 121 F HN 0.210 nan 8.300 nan 0.000 0.467 122 A N 0.890 123.847 122.820 0.228 0.000 2.486 122 A HA 0.790 5.110 4.320 0.000 0.000 0.300 122 A C -1.128 176.748 177.584 0.486 0.000 1.048 122 A CA -0.378 51.754 52.037 0.158 0.000 0.696 122 A CB 1.655 20.661 19.000 0.010 0.000 1.278 122 A HN 1.236 nan 8.150 nan 0.000 0.405 123 T N 0.082 114.889 114.554 0.421 0.000 2.894 123 T HA 0.626 4.977 4.350 0.000 0.000 0.309 123 T C -1.885 172.928 174.700 0.188 0.000 1.208 123 T CA -0.264 62.042 62.100 0.344 0.000 1.016 123 T CB 1.523 70.593 68.868 0.337 0.000 1.192 123 T HN 1.847 nan 8.240 nan 0.000 0.491 124 V N 4.310 124.219 119.914 -0.008 0.000 2.709 124 V HA 0.876 4.997 4.120 0.000 0.000 0.308 124 V C -1.465 174.602 176.094 -0.046 0.000 1.062 124 V CA -0.308 61.968 62.300 -0.040 0.000 0.901 124 V CB 1.761 33.494 31.823 -0.149 0.000 1.003 124 V HN 0.851 nan 8.190 nan 0.000 0.425 125 V N 6.849 126.774 119.914 0.018 0.000 2.709 125 V HA 0.665 4.786 4.120 0.000 0.000 0.308 125 V C -0.347 175.758 176.094 0.019 0.000 1.062 125 V CA -0.784 61.530 62.300 0.024 0.000 0.901 125 V CB 2.056 33.930 31.823 0.084 0.000 1.003 125 V HN 0.950 nan 8.190 nan 0.000 0.425 126 R N 1.888 122.389 120.500 0.002 0.000 2.534 126 R HA 0.732 5.072 4.340 0.000 0.000 0.301 126 R C -1.255 175.049 176.300 0.007 0.000 0.961 126 R CA -0.247 55.857 56.100 0.006 0.000 0.871 126 R CB 1.917 32.215 30.300 -0.003 0.000 1.170 126 R HN 0.777 nan 8.270 nan 0.000 0.446 127 T N 3.232 117.794 114.554 0.013 0.000 2.930 127 T HA 0.416 4.767 4.350 0.000 0.000 0.313 127 T C 0.303 175.010 174.700 0.010 0.000 1.019 127 T CA 0.218 62.324 62.100 0.010 0.000 1.004 127 T CB 1.452 70.328 68.868 0.014 0.000 0.987 127 T HN 0.952 nan 8.240 nan 0.000 0.456 128 G N 3.970 112.774 108.800 0.006 0.000 2.629 128 G HA2 -0.271 3.690 3.960 0.000 0.000 0.313 128 G HA3 -0.271 3.690 3.960 0.000 0.000 0.313 128 G C 0.043 174.949 174.900 0.010 0.000 1.217 128 G CA 0.414 45.518 45.100 0.007 0.000 0.994 128 G HN 0.630 nan 8.290 nan 0.000 0.549 129 D N 1.285 121.693 120.400 0.013 0.000 2.525 129 D HA 0.276 4.916 4.640 0.000 0.000 0.229 129 D C 0.960 177.271 176.300 0.019 0.000 1.202 129 D CA 0.029 54.038 54.000 0.015 0.000 0.828 129 D CB 0.207 41.016 40.800 0.015 0.000 1.008 129 D HN 0.445 nan 8.370 nan 0.000 0.493 130 R N 0.496 121.009 120.500 0.021 0.000 2.514 130 R HA 0.566 4.906 4.340 0.000 0.000 0.301 130 R C -1.361 174.958 176.300 0.030 0.000 0.962 130 R CA -0.518 55.599 56.100 0.028 0.000 0.882 130 R CB 1.509 31.827 30.300 0.030 0.000 1.143 130 R HN -0.221 nan 8.270 nan 0.000 0.452 131 V N 6.113 126.049 119.914 0.036 0.000 2.531 131 V HA 0.417 4.537 4.120 0.000 0.000 0.301 131 V C -0.424 175.701 176.094 0.052 0.000 1.034 131 V CA -0.790 61.533 62.300 0.038 0.000 0.865 131 V CB 1.883 33.725 31.823 0.031 0.000 0.995 131 V HN 0.664 nan 8.190 nan 0.000 0.424 132 L N 5.662 126.923 121.223 0.065 0.000 2.317 132 L HA 0.669 5.009 4.340 0.000 0.000 0.281 132 L C -0.857 176.046 176.870 0.054 0.000 1.024 132 L CA -0.514 54.376 54.840 0.083 0.000 0.810 132 L CB 1.773 43.925 42.059 0.155 0.000 1.240 132 L HN 0.396 nan 8.230 nan 0.000 0.427 133 L N 3.037 124.270 121.223 0.017 0.000 2.385 133 L HA 0.864 5.204 4.340 0.000 0.000 0.273 133 L C -0.486 176.311 176.870 -0.122 0.000 0.990 133 L CA -0.462 54.375 54.840 -0.005 0.000 0.821 133 L CB 2.028 44.102 42.059 0.024 0.000 1.279 133 L HN 0.726 nan 8.230 nan 0.000 0.412 134 A N 1.474 124.175 122.820 -0.199 0.000 2.486 134 A HA 0.854 5.175 4.320 0.000 0.000 0.300 134 A C -0.434 176.999 177.584 -0.252 0.000 1.048 134 A CA -0.491 51.307 52.037 -0.398 0.000 0.696 134 A CB 1.977 20.226 19.000 -1.252 0.000 1.278 134 A HN 0.639 nan 8.150 nan 0.000 0.405 135 T N -0.997 113.385 114.554 -0.286 0.000 2.949 135 T HA 0.689 5.039 4.350 0.000 0.000 0.287 135 T C -0.151 174.187 174.700 -0.603 0.000 1.034 135 T CA -0.240 61.622 62.100 -0.398 0.000 1.018 135 T CB 1.075 69.796 68.868 -0.245 0.000 1.135 135 T HN 0.777 nan 8.240 nan 0.000 0.532 136 D N -1.007 118.885 120.400 -0.846 0.000 2.398 136 D HA 0.096 4.737 4.640 0.000 0.000 0.247 136 D C 1.634 177.799 176.300 -0.225 0.000 1.227 136 D CA -0.553 53.052 54.000 -0.659 0.000 0.980 136 D CB 0.180 40.621 40.800 -0.598 0.000 1.106 136 D HN 0.786 nan 8.370 nan 0.000 0.493 137 H N -0.888 118.111 119.070 -0.119 0.000 2.394 137 H HA -0.176 4.380 4.556 0.000 0.000 0.297 137 H C 1.034 176.346 175.328 -0.027 0.000 1.113 137 H CA 1.739 57.692 56.048 -0.158 0.000 1.277 137 H CB -0.480 28.813 29.762 -0.781 0.000 1.370 137 H HN 0.460 nan 8.280 nan 0.000 0.506 138 A N 0.186 122.630 122.820 -0.627 0.000 2.430 138 A HA 0.455 4.775 4.320 0.000 0.000 0.243 138 A C 1.878 179.514 177.584 0.086 0.000 1.254 138 A CA 0.466 52.457 52.037 -0.076 0.000 0.914 138 A CB -0.262 18.642 19.000 -0.160 0.000 0.998 138 A HN 0.730 nan 8.150 nan 0.000 0.515 139 G N 0.822 109.576 108.800 -0.078 0.000 2.283 139 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 139 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 139 G C 1.139 175.974 174.900 -0.109 0.000 1.029 139 G CA 1.272 46.316 45.100 -0.095 0.000 0.840 139 G HN 1.483 nan 8.290 nan 0.000 0.505 140 S N -2.155 113.458 115.700 -0.145 0.000 2.440 140 S HA 0.136 4.606 4.470 0.000 0.000 0.238 140 S C 0.951 175.495 174.600 -0.092 0.000 1.010 140 S CA 1.322 59.459 58.200 -0.105 0.000 0.972 140 S CB 0.280 63.446 63.200 -0.056 0.000 0.774 140 S HN 0.959 nan 8.310 nan 0.000 0.501 141 V N 3.622 123.468 119.914 -0.113 0.000 2.284 141 V HA 0.417 4.538 4.120 0.000 0.000 0.274 141 V C -2.535 173.479 176.094 -0.134 0.000 1.023 141 V CA -2.125 60.125 62.300 -0.083 0.000 0.808 141 V CB 0.870 32.676 31.823 -0.027 0.000 1.035 141 V HN 0.178 nan 8.190 nan 0.000 0.445 142 P HA 0.093 nan 4.420 nan 0.000 0.264 142 P C -0.825 176.337 177.300 -0.230 0.000 1.179 142 P CA 0.086 63.073 63.100 -0.188 0.000 0.763 142 P CB 0.488 32.171 31.700 -0.029 0.000 0.806 143 L N 5.143 126.126 121.223 -0.400 0.000 2.438 143 L HA 0.506 4.846 4.340 0.000 0.000 0.270 143 L C -1.658 174.974 176.870 -0.397 0.000 0.972 143 L CA -0.656 54.026 54.840 -0.263 0.000 0.831 143 L CB 0.924 42.894 42.059 -0.149 0.000 1.273 143 L HN 0.246 nan 8.230 nan 0.000 0.405 144 Y N 2.181 122.474 120.300 -0.013 0.000 2.587 144 Y HA 0.865 5.416 4.550 0.000 0.000 0.337 144 Y C 0.421 176.355 175.900 0.058 0.000 1.065 144 Y CA -0.676 57.441 58.100 0.028 0.000 1.126 144 Y CB 2.435 40.907 38.460 0.021 0.000 1.279 144 Y HN 0.619 nan 8.280 nan 0.000 0.489 145 T N 0.021 114.719 114.554 0.239 0.000 2.853 145 T HA 0.557 4.907 4.350 0.000 0.000 0.311 145 T C -2.058 172.723 174.700 0.135 0.000 1.307 145 T CA -0.461 61.733 62.100 0.157 0.000 1.019 145 T CB 0.638 69.568 68.868 0.104 0.000 1.264 145 T HN 0.714 nan 8.240 nan 0.000 0.497 146 C N 3.533 122.867 119.300 0.056 0.000 2.407 146 C HA 0.741 5.201 4.460 0.000 0.000 0.328 146 C C -0.472 174.484 174.990 -0.057 0.000 1.137 146 C CA -0.713 58.293 59.018 -0.019 0.000 1.390 146 C CB -0.031 27.667 27.740 -0.070 0.000 1.989 146 C HN 0.718 nan 8.230 nan 0.000 0.432 147 V N 3.386 123.249 119.914 -0.085 0.000 2.495 147 V HA 0.927 5.047 4.120 0.000 0.000 0.298 147 V C 0.211 176.326 176.094 0.034 0.000 1.031 147 V CA -0.021 62.258 62.300 -0.034 0.000 0.871 147 V CB 1.651 33.458 31.823 -0.027 0.000 0.988 147 V HN 1.007 nan 8.190 nan 0.000 0.432 148 A N 5.976 128.856 122.820 0.101 0.000 2.587 148 A HA 0.934 5.254 4.320 0.000 0.000 0.293 148 A C -3.140 174.526 177.584 0.136 0.000 1.087 148 A CA -1.898 50.298 52.037 0.264 0.000 0.692 148 A CB 1.985 21.195 19.000 0.351 0.000 1.291 148 A HN 0.600 nan 8.150 nan 0.000 0.407 149 P HA 0.259 nan 4.420 nan 0.000 0.260 149 P C 1.043 178.374 177.300 0.051 0.000 1.185 149 P CA 2.438 65.570 63.100 0.053 0.000 0.763 149 P CB 0.472 32.187 31.700 0.024 0.000 0.776 150 G N 2.116 110.939 108.800 0.038 0.000 2.199 150 G HA2 -0.257 3.704 3.960 0.000 0.000 0.254 150 G HA3 -0.257 3.704 3.960 0.000 0.000 0.254 150 G C 0.009 174.929 174.900 0.033 0.000 0.982 150 G CA 0.249 45.369 45.100 0.033 0.000 0.632 150 G HN 0.644 nan 8.290 nan 0.000 0.529 151 E N -0.586 119.636 120.200 0.037 0.000 2.311 151 E HA 0.547 4.898 4.350 0.000 0.000 0.281 151 E C -1.244 175.368 176.600 0.019 0.000 0.905 151 E CA -0.742 55.673 56.400 0.026 0.000 0.778 151 E CB 2.217 31.929 29.700 0.021 0.000 1.240 151 E HN 0.266 nan 8.360 nan 0.000 0.410 152 V N 4.457 124.382 119.914 0.018 0.000 2.487 152 V HA 0.580 4.701 4.120 0.000 0.000 0.298 152 V C -0.364 175.744 176.094 0.024 0.000 1.028 152 V CA -0.649 61.663 62.300 0.019 0.000 0.860 152 V CB 1.767 33.606 31.823 0.027 0.000 0.991 152 V HN 0.641 nan 8.190 nan 0.000 0.427 153 R N 2.566 123.081 120.500 0.026 0.000 2.561 153 R HA 0.849 5.189 4.340 0.000 0.000 0.297 153 R C -0.796 175.562 176.300 0.095 0.000 0.969 153 R CA -0.255 55.873 56.100 0.048 0.000 0.879 153 R CB 2.174 32.477 30.300 0.005 0.000 1.178 153 R HN 0.879 nan 8.270 nan 0.000 0.445 154 A N 1.421 124.338 122.820 0.160 0.000 2.435 154 A HA 0.787 5.108 4.320 0.000 0.000 0.304 154 A C -1.181 176.600 177.584 0.329 0.000 1.064 154 A CA -0.605 51.575 52.037 0.238 0.000 0.727 154 A CB 2.200 21.365 19.000 0.275 0.000 1.284 154 A HN 0.516 nan 8.150 nan 0.000 0.415 155 S N -0.501 115.346 115.700 0.244 0.000 2.537 155 S HA 0.505 4.976 4.470 0.000 0.000 0.271 155 S C 0.670 175.255 174.600 -0.025 0.000 1.148 155 S CA 0.300 58.577 58.200 0.129 0.000 0.868 155 S CB 1.194 64.512 63.200 0.196 0.000 1.115 155 S HN 1.432 nan 8.310 nan 0.000 0.461 156 T N 0.381 114.737 114.554 -0.330 0.000 3.160 156 T HA 0.279 4.629 4.350 0.000 0.000 0.257 156 T C 0.190 174.881 174.700 -0.015 0.000 1.147 156 T CA 0.498 62.430 62.100 -0.280 0.000 1.064 156 T CB -0.339 68.214 68.868 -0.525 0.000 0.949 156 T HN 0.578 nan 8.240 nan 0.000 0.526 157 E N -0.189 120.036 120.200 0.041 0.000 2.260 157 E HA 0.592 4.942 4.350 0.000 0.000 0.266 157 E C 0.499 176.970 176.600 -0.214 0.000 0.887 157 E CA -0.546 55.824 56.400 -0.050 0.000 0.777 157 E CB 1.894 31.600 29.700 0.010 0.000 1.205 157 E HN 0.121 nan 8.360 nan 0.000 0.414 158 A N 3.908 126.293 122.820 -0.725 0.000 1.972 158 A HA -0.235 4.085 4.320 0.000 0.000 0.219 158 A C 1.931 179.318 177.584 -0.328 0.000 1.169 158 A CA 1.707 53.305 52.037 -0.733 0.000 0.635 158 A CB -0.424 17.924 19.000 -1.087 0.000 0.810 158 A HN 0.641 nan 8.150 nan 0.000 0.446 159 K N -0.338 119.890 120.400 -0.286 0.000 2.209 159 K HA 0.067 4.387 4.320 0.000 0.000 0.204 159 K C 1.848 178.374 176.600 -0.124 0.000 1.048 159 K CA 1.306 57.477 56.287 -0.195 0.000 0.940 159 K CB -0.462 31.920 32.500 -0.198 0.000 0.729 159 K HN 0.241 nan 8.250 nan 0.000 0.451 160 A N 1.481 124.241 122.820 -0.100 0.000 2.015 160 A HA 0.033 4.353 4.320 0.000 0.000 0.219 160 A C 2.083 179.632 177.584 -0.059 0.000 1.163 160 A CA 0.864 52.832 52.037 -0.115 0.000 0.646 160 A CB -0.382 18.578 19.000 -0.067 0.000 0.806 160 A HN 0.303 nan 8.150 nan 0.000 0.448 161 L N -1.479 119.721 121.223 -0.039 0.000 2.249 161 L HA 0.050 4.390 4.340 0.000 0.000 0.207 161 L C 2.850 179.717 176.870 -0.004 0.000 1.090 161 L CA 0.731 55.565 54.840 -0.010 0.000 0.802 161 L CB -0.283 41.775 42.059 -0.002 0.000 0.947 161 L HN 0.362 nan 8.230 nan 0.000 0.453 162 A N 0.192 122.989 122.820 -0.038 0.000 2.066 162 A HA 0.020 4.340 4.320 0.000 0.000 0.218 162 A C 2.378 179.963 177.584 0.002 0.000 1.157 162 A CA 1.136 53.158 52.037 -0.024 0.000 0.670 162 A CB -0.441 18.518 19.000 -0.067 0.000 0.804 162 A HN 0.328 nan 8.150 nan 0.000 0.453 163 A N -1.015 121.800 122.820 -0.008 0.000 2.225 163 A HA -0.065 4.256 4.320 0.000 0.000 0.215 163 A C 1.178 178.775 177.584 0.021 0.000 1.164 163 A CA 0.608 52.639 52.037 -0.008 0.000 0.710 163 A CB -0.680 18.299 19.000 -0.035 0.000 0.780 163 A HN 0.667 nan 8.150 nan 0.000 0.473 164 H N 0.490 119.537 119.070 -0.038 0.000 2.505 164 H HA 0.273 4.829 4.556 0.000 0.000 0.351 164 H C 0.189 175.505 175.328 -0.019 0.000 1.151 164 H CA -0.554 55.478 56.048 -0.026 0.000 1.339 164 H CB 0.428 30.176 29.762 -0.022 0.000 1.483 164 H HN 0.285 nan 8.280 nan 0.000 0.558 165 R N 3.254 123.564 120.500 -0.316 0.000 2.413 165 R HA -0.053 4.287 4.340 0.000 0.000 0.333 165 R C -0.741 175.674 176.300 0.193 0.000 1.074 165 R CA 0.325 56.374 56.100 -0.084 0.000 0.982 165 R CB -0.675 29.506 30.300 -0.198 0.000 0.981 165 R HN 0.831 nan 8.270 nan 0.000 0.452 166 D N 3.589 124.079 120.400 0.150 0.000 3.620 166 D HA -0.096 4.544 4.640 0.000 0.000 0.237 166 D C -2.438 173.939 176.300 0.129 0.000 1.111 166 D CA -0.082 53.992 54.000 0.123 0.000 1.070 166 D CB 0.166 41.026 40.800 0.100 0.000 0.891 166 D HN 0.390 nan 8.370 nan 0.000 0.412 167 P HA 0.023 nan 4.420 nan 0.000 0.260 167 P C -0.330 176.856 177.300 -0.191 0.000 1.185 167 P CA 0.080 63.127 63.100 -0.089 0.000 0.763 167 P CB 0.466 32.133 31.700 -0.056 0.000 0.776 168 K N 2.895 123.129 120.400 -0.277 0.000 2.278 168 K HA 0.368 4.688 4.320 0.000 0.000 0.237 168 K C 0.658 176.865 176.600 -0.656 0.000 1.229 168 K CA 0.028 56.072 56.287 -0.406 0.000 1.155 168 K CB -0.464 31.936 32.500 -0.168 0.000 1.590 168 K HN 0.466 nan 8.250 nan 0.000 0.290 169 G N 1.175 109.522 108.800 -0.755 0.000 2.478 169 G HA2 0.621 4.581 3.960 0.000 0.000 0.317 169 G HA3 0.621 4.581 3.960 0.000 0.000 0.317 169 G C -1.184 173.277 174.900 -0.732 0.000 1.259 169 G CA -0.471 44.300 45.100 -0.548 0.000 0.933 169 G HN 0.170 nan 8.290 nan 0.000 0.478 170 F N 1.587 121.463 119.950 -0.124 0.000 2.579 170 F HA 0.558 5.085 4.527 0.000 0.000 0.324 170 F C -1.851 173.573 175.800 -0.626 0.000 1.058 170 F CA -2.712 55.175 58.000 -0.188 0.000 0.944 170 F CB 1.927 40.872 39.000 -0.091 0.000 1.245 170 F HN 0.222 nan 8.300 nan 0.000 0.477 171 P HA 0.033 nan 4.420 nan 0.000 0.263 171 P C -0.992 176.133 177.300 -0.292 0.000 1.168 171 P CA 0.634 63.523 63.100 -0.351 0.000 0.759 171 P CB 0.589 32.313 31.700 0.041 0.000 0.782 172 L N 1.663 122.715 121.223 -0.286 0.000 2.388 172 L HA 0.584 4.924 4.340 0.000 0.000 0.264 172 L C 0.384 177.223 176.870 -0.051 0.000 0.998 172 L CA -1.403 53.349 54.840 -0.145 0.000 0.817 172 L CB 2.086 44.047 42.059 -0.162 0.000 1.338 172 L HN 0.309 nan 8.230 nan 0.000 0.414 173 A N 0.784 123.581 122.820 -0.038 0.000 2.520 173 A HA 0.121 4.441 4.320 0.000 0.000 0.245 173 A C 0.744 178.317 177.584 -0.018 0.000 1.072 173 A CA 0.325 52.348 52.037 -0.024 0.000 0.761 173 A CB -0.120 18.858 19.000 -0.037 0.000 1.004 173 A HN 0.958 nan 8.150 nan 0.000 0.499 174 D N -0.674 119.723 120.400 -0.005 0.000 3.018 174 D HA -0.204 4.436 4.640 0.000 0.000 0.224 174 D C 0.299 176.608 176.300 0.016 0.000 1.185 174 D CA 1.578 55.578 54.000 0.000 0.000 0.858 174 D CB -0.938 39.854 40.800 -0.014 0.000 1.112 174 D HN 1.056 nan 8.370 nan 0.000 0.415 175 A N 0.897 123.744 122.820 0.044 0.000 2.292 175 A HA 0.590 4.910 4.320 0.000 0.000 0.319 175 A C 0.538 178.244 177.584 0.203 0.000 1.206 175 A CA -0.527 51.572 52.037 0.103 0.000 0.835 175 A CB 0.827 19.889 19.000 0.104 0.000 1.164 175 A HN 0.269 nan 8.150 nan 0.000 0.505 176 R N 2.601 123.194 120.500 0.155 0.000 2.460 176 R HA 0.576 4.917 4.340 0.000 0.000 0.303 176 R C -0.261 176.028 176.300 -0.018 0.000 0.968 176 R CA -0.750 55.409 56.100 0.098 0.000 0.889 176 R CB 1.354 31.661 30.300 0.013 0.000 1.123 176 R HN 0.719 nan 8.270 nan 0.000 0.455 177 R N 2.379 122.737 120.500 -0.237 0.000 2.537 177 R HA 0.100 4.440 4.340 0.000 0.000 0.280 177 R C -0.620 175.509 176.300 -0.284 0.000 1.058 177 R CA -0.336 55.373 56.100 -0.652 0.000 1.057 177 R CB 0.847 30.774 30.300 -0.621 0.000 0.973 177 R HN 0.521 nan 8.270 nan 0.000 0.438 178 V N 4.738 124.516 119.914 -0.227 0.000 2.455 178 V HA 0.163 4.284 4.120 0.000 0.000 0.273 178 V C 0.608 176.649 176.094 -0.089 0.000 1.045 178 V CA -0.379 61.882 62.300 -0.065 0.000 0.976 178 V CB 0.769 32.626 31.823 0.057 0.000 0.993 178 V HN 0.930 nan 8.190 nan 0.000 0.475 179 A N 4.397 127.145 122.820 -0.120 0.000 2.511 179 A HA 0.526 4.846 4.320 0.000 0.000 0.242 179 A C 1.526 179.023 177.584 -0.146 0.000 1.069 179 A CA 0.633 52.586 52.037 -0.140 0.000 0.763 179 A CB -0.256 18.640 19.000 -0.174 0.000 1.001 179 A HN 2.049 nan 8.150 nan 0.000 0.498 180 G N 0.808 109.588 108.800 -0.033 0.000 2.234 180 G HA2 -0.184 3.777 3.960 0.000 0.000 0.235 180 G HA3 -0.184 3.777 3.960 0.000 0.000 0.235 180 G C 0.038 175.062 174.900 0.207 0.000 0.997 180 G CA 0.378 45.553 45.100 0.125 0.000 0.623 180 G HN 0.883 nan 8.290 nan 0.000 0.514 181 L N 0.566 121.865 121.223 0.127 0.000 2.279 181 L HA 0.832 5.172 4.340 0.000 0.000 0.262 181 L C 0.399 177.273 176.870 0.007 0.000 1.019 181 L CA -0.510 54.374 54.840 0.073 0.000 0.823 181 L CB 2.351 44.451 42.059 0.068 0.000 1.358 181 L HN 0.316 nan 8.230 nan 0.000 0.432 182 T N -2.769 111.786 114.554 0.001 0.000 2.848 182 T HA 0.581 4.932 4.350 0.000 0.000 0.285 182 T C 0.556 175.250 174.700 -0.011 0.000 0.995 182 T CA 0.017 62.114 62.100 -0.004 0.000 0.970 182 T CB 1.632 70.511 68.868 0.020 0.000 0.976 182 T HN 1.045 nan 8.240 nan 0.000 0.441 183 G N 1.613 110.414 108.800 0.002 0.000 2.179 183 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 183 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 183 G C -0.030 174.933 174.900 0.104 0.000 0.977 183 G CA 0.029 45.142 45.100 0.021 0.000 0.641 183 G HN 1.222 nan 8.290 nan 0.000 0.533 184 V N 0.931 120.861 119.914 0.026 0.000 2.370 184 V HA 0.693 4.813 4.120 0.000 0.000 0.283 184 V C -0.360 175.736 176.094 0.004 0.000 1.023 184 V CA -0.964 61.387 62.300 0.084 0.000 0.857 184 V CB 1.117 32.952 31.823 0.020 0.000 0.985 184 V HN 0.226 nan 8.190 nan 0.000 0.443 185 Y N 2.401 122.758 120.300 0.096 0.000 2.468 185 Y HA 0.559 5.109 4.550 0.000 0.000 0.342 185 Y C 0.218 176.196 175.900 0.130 0.000 1.021 185 Y CA -0.800 57.358 58.100 0.096 0.000 1.079 185 Y CB 1.838 40.324 38.460 0.043 0.000 1.226 185 Y HN 0.585 nan 8.280 nan 0.000 0.460 186 Q N 1.720 121.617 119.800 0.161 0.000 2.271 186 Q HA 0.580 4.920 4.340 0.000 0.000 0.258 186 Q C -1.357 174.590 176.000 -0.088 0.000 0.936 186 Q CA -0.740 55.003 55.803 -0.100 0.000 0.909 186 Q CB 1.261 29.869 28.738 -0.216 0.000 1.253 186 Q HN 0.606 nan 8.270 nan 0.000 0.440 187 V N 6.543 126.365 119.914 -0.154 0.000 2.637 187 V HA 0.173 4.293 4.120 0.000 0.000 0.296 187 V C -2.017 174.007 176.094 -0.115 0.000 1.046 187 V CA -1.160 61.083 62.300 -0.096 0.000 1.066 187 V CB 0.679 32.443 31.823 -0.098 0.000 0.968 187 V HN 0.840 nan 8.190 nan 0.000 0.483 188 P HA 0.229 nan 4.420 nan 0.000 0.269 188 P C -0.336 176.937 177.300 -0.044 0.000 1.215 188 P CA -0.062 63.005 63.100 -0.056 0.000 0.780 188 P CB 0.495 32.179 31.700 -0.025 0.000 0.898 189 A N 2.328 125.136 122.820 -0.019 0.000 2.406 189 A HA 0.461 4.781 4.320 0.000 0.000 0.243 189 A C 1.194 178.853 177.584 0.125 0.000 1.082 189 A CA 0.311 52.378 52.037 0.050 0.000 0.786 189 A CB -1.174 17.933 19.000 0.179 0.000 1.029 189 A HN 0.851 nan 8.150 nan 0.000 0.495 190 G N -0.742 108.146 108.800 0.146 0.000 2.386 190 G HA2 0.288 4.248 3.960 0.000 0.000 0.295 190 G HA3 0.288 4.248 3.960 0.000 0.000 0.295 190 G C 0.239 175.254 174.900 0.192 0.000 0.979 190 G CA 0.885 46.139 45.100 0.257 0.000 1.193 190 G HN 2.332 nan 8.290 nan 0.000 0.508 191 A N -1.335 121.537 122.820 0.088 0.000 2.609 191 A HA 0.962 5.283 4.320 0.000 0.000 0.291 191 A C -0.651 176.929 177.584 -0.007 0.000 1.096 191 A CA -0.026 52.054 52.037 0.071 0.000 0.684 191 A CB 2.359 21.385 19.000 0.042 0.000 1.282 191 A HN 1.903 nan 8.150 nan 0.000 0.412 192 V N 2.031 121.972 119.914 0.044 0.000 2.569 192 V HA 0.651 4.771 4.120 0.000 0.000 0.301 192 V C -0.988 175.156 176.094 0.084 0.000 1.044 192 V CA -0.514 61.780 62.300 -0.011 0.000 0.874 192 V CB 1.392 33.252 31.823 0.061 0.000 1.002 192 V HN 0.881 nan 8.190 nan 0.000 0.424 193 M N 5.633 125.253 119.600 0.034 0.000 2.157 193 M HA 0.456 4.937 4.480 0.000 0.000 0.354 193 M C -0.808 175.540 176.300 0.079 0.000 1.170 193 M CA -0.293 55.037 55.300 0.050 0.000 1.060 193 M CB 1.300 33.909 32.600 0.015 0.000 1.615 193 M HN 0.603 nan 8.290 nan 0.000 0.460 194 D N 5.020 125.484 120.400 0.107 0.000 2.443 194 D HA 0.420 5.060 4.640 0.000 0.000 0.221 194 D C -1.087 175.252 176.300 0.064 0.000 1.097 194 D CA -0.189 53.876 54.000 0.107 0.000 0.865 194 D CB 0.445 41.343 40.800 0.163 0.000 1.034 194 D HN 0.478 nan 8.370 nan 0.000 0.511 195 I N 2.307 122.907 120.570 0.050 0.000 2.359 195 I HA 0.178 4.348 4.170 0.000 0.000 0.294 195 I C 0.228 176.364 176.117 0.032 0.000 0.987 195 I CA -0.925 60.395 61.300 0.033 0.000 1.225 195 I CB 1.582 39.598 38.000 0.027 0.000 1.366 195 I HN 0.196 nan 8.210 nan 0.000 0.466 196 D N 5.359 125.774 120.400 0.026 0.000 2.380 196 D HA 0.119 4.759 4.640 0.000 0.000 0.230 196 D C 0.782 177.094 176.300 0.022 0.000 1.154 196 D CA -0.401 53.614 54.000 0.024 0.000 0.859 196 D CB 1.112 41.924 40.800 0.021 0.000 1.045 196 D HN 0.410 nan 8.370 nan 0.000 0.495 197 L N 4.472 125.709 121.223 0.022 0.000 2.081 197 L HA 0.036 4.376 4.340 0.000 0.000 0.212 197 L C 2.024 178.907 176.870 0.022 0.000 1.080 197 L CA 2.386 57.239 54.840 0.022 0.000 0.754 197 L CB -0.799 41.273 42.059 0.021 0.000 0.893 197 L HN 0.605 nan 8.230 nan 0.000 0.433 198 G N -1.502 107.309 108.800 0.018 0.000 2.421 198 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 198 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 198 G C 1.541 176.450 174.900 0.015 0.000 1.171 198 G CA 1.031 46.141 45.100 0.016 0.000 0.775 198 G HN 0.585 nan 8.290 nan 0.000 0.543 199 S N -0.825 114.883 115.700 0.013 0.000 2.503 199 S HA 0.358 4.829 4.470 0.000 0.000 0.217 199 S C 1.834 176.441 174.600 0.011 0.000 0.999 199 S CA 1.042 59.247 58.200 0.007 0.000 0.914 199 S CB 0.055 63.257 63.200 0.003 0.000 0.782 199 S HN 1.602 nan 8.310 nan 0.000 0.520 200 G N 1.768 110.579 108.800 0.019 0.000 2.176 200 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 200 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 200 G C 0.116 175.024 174.900 0.014 0.000 1.024 200 G CA 0.488 45.605 45.100 0.028 0.000 0.755 200 G HN 1.230 nan 8.290 nan 0.000 0.507 201 T N -2.814 111.744 114.554 0.006 0.000 2.932 201 T HA 0.993 5.343 4.350 0.000 0.000 0.289 201 T C -0.077 174.623 174.700 -0.001 0.000 1.039 201 T CA 0.317 62.415 62.100 -0.004 0.000 1.024 201 T CB 2.703 71.567 68.868 -0.005 0.000 1.090 201 T HN 1.903 nan 8.240 nan 0.000 0.496 202 A N 0.872 123.686 122.820 -0.010 0.000 2.594 202 A HA 0.773 5.094 4.320 0.000 0.000 0.291 202 A C -1.361 176.209 177.584 -0.024 0.000 1.105 202 A CA -0.850 51.184 52.037 -0.005 0.000 0.694 202 A CB 1.669 20.666 19.000 -0.005 0.000 1.291 202 A HN 0.968 nan 8.150 nan 0.000 0.410 203 V N 1.030 120.927 119.914 -0.029 0.000 2.531 203 V HA 0.591 4.711 4.120 0.000 0.000 0.301 203 V C -0.175 175.813 176.094 -0.176 0.000 1.034 203 V CA -0.369 61.865 62.300 -0.110 0.000 0.865 203 V CB 1.761 33.527 31.823 -0.095 0.000 0.995 203 V HN 0.935 nan 8.190 nan 0.000 0.424 204 T N 4.410 118.830 114.554 -0.223 0.000 2.867 204 T HA 0.547 4.898 4.350 0.000 0.000 0.282 204 T C -0.629 173.885 174.700 -0.311 0.000 1.000 204 T CA -0.384 61.617 62.100 -0.164 0.000 1.042 204 T CB 0.507 69.334 68.868 -0.068 0.000 0.973 204 T HN 0.632 nan 8.240 nan 0.000 0.465 205 H N 2.345 121.441 119.070 0.042 0.000 2.529 205 H HA 0.387 4.943 4.556 0.000 0.000 0.348 205 H C -0.187 175.190 175.328 0.082 0.000 1.079 205 H CA -0.968 55.119 56.048 0.065 0.000 1.198 205 H CB 1.361 31.165 29.762 0.071 0.000 1.521 205 H HN 0.217 nan 8.280 nan 0.000 0.514 206 R N 1.493 122.105 120.500 0.187 0.000 2.357 206 R HA 0.135 4.475 4.340 0.000 0.000 0.296 206 R C 0.977 177.408 176.300 0.219 0.000 1.052 206 R CA -0.345 55.857 56.100 0.170 0.000 0.988 206 R CB 0.424 30.795 30.300 0.118 0.000 1.025 206 R HN 0.742 nan 8.270 nan 0.000 0.469 207 T N -2.541 112.170 114.554 0.262 0.000 3.085 207 T HA 0.266 4.616 4.350 0.000 0.000 0.264 207 T C -0.001 174.942 174.700 0.405 0.000 1.019 207 T CA -0.535 61.750 62.100 0.308 0.000 0.910 207 T CB 0.112 69.181 68.868 0.335 0.000 1.059 207 T HN 0.621 nan 8.240 nan 0.000 0.542 208 W N 0.268 121.658 121.300 0.150 0.000 3.338 208 W HA 0.507 5.168 4.660 0.000 0.000 0.299 208 W C -2.183 174.421 176.519 0.141 0.000 1.226 208 W CA -0.435 56.998 57.345 0.147 0.000 1.183 208 W CB 0.806 30.387 29.460 0.202 0.000 1.360 208 W HN 0.045 nan 8.180 nan 0.000 0.569 209 T N 4.057 118.109 114.554 -0.835 0.000 2.957 209 T HA 0.479 4.830 4.350 0.000 0.000 0.336 209 T C -2.970 170.953 174.700 -1.294 0.000 1.462 209 T CA -1.017 60.652 62.100 -0.718 0.000 1.073 209 T CB 1.400 70.097 68.868 -0.284 0.000 1.319 209 T HN 0.149 nan 8.240 nan 0.000 0.485 210 P HA 0.292 nan 4.420 nan 0.000 0.264 210 P C 0.141 177.233 177.300 -0.348 0.000 1.193 210 P CA 0.036 62.816 63.100 -0.534 0.000 0.763 210 P CB 0.313 31.963 31.700 -0.084 0.000 0.810 211 G N 2.348 110.990 108.800 -0.263 0.000 2.432 211 G HA2 0.127 4.087 3.960 0.000 0.000 0.239 211 G HA3 0.127 4.087 3.960 0.000 0.000 0.239 211 G C 0.609 175.449 174.900 -0.099 0.000 1.291 211 G CA -0.370 44.634 45.100 -0.160 0.000 0.863 211 G HN 0.513 nan 8.290 nan 0.000 0.560 212 L N 1.329 122.505 121.223 -0.079 0.000 2.609 212 L HA 0.147 4.487 4.340 0.000 0.000 0.230 212 L C 1.622 178.470 176.870 -0.035 0.000 1.087 212 L CA 0.151 54.961 54.840 -0.050 0.000 0.874 212 L CB -0.120 41.911 42.059 -0.047 0.000 1.114 212 L HN 0.602 nan 8.230 nan 0.000 0.488 213 S N -0.044 115.634 115.700 -0.037 0.000 2.707 213 S HA 0.617 5.087 4.470 0.000 0.000 0.276 213 S C -0.071 174.517 174.600 -0.020 0.000 1.179 213 S CA -0.845 57.340 58.200 -0.025 0.000 0.992 213 S CB 1.802 64.988 63.200 -0.024 0.000 1.030 213 S HN 0.045 nan 8.310 nan 0.000 0.554 214 R N 0.345 120.837 120.500 -0.013 0.000 2.744 214 R HA 0.516 4.857 4.340 0.000 0.000 0.279 214 R C -0.951 175.347 176.300 -0.004 0.000 0.977 214 R CA -0.619 55.476 56.100 -0.008 0.000 0.906 214 R CB 1.875 32.172 30.300 -0.006 0.000 1.197 214 R HN 0.867 nan 8.270 nan 0.000 0.463 215 R N 2.496 122.997 120.500 0.001 0.000 2.480 215 R HA 0.462 4.803 4.340 0.000 0.000 0.306 215 R C -0.573 175.733 176.300 0.010 0.000 0.958 215 R CA -0.536 55.567 56.100 0.004 0.000 0.861 215 R CB 1.011 31.314 30.300 0.005 0.000 1.171 215 R HN 0.594 nan 8.270 nan 0.000 0.445 216 I N 6.309 126.884 120.570 0.009 0.000 2.416 216 I HA 0.186 4.356 4.170 0.000 0.000 0.288 216 I C -0.337 175.790 176.117 0.016 0.000 1.051 216 I CA -0.108 61.199 61.300 0.013 0.000 1.375 216 I CB 0.759 38.764 38.000 0.008 0.000 1.407 216 I HN 0.444 nan 8.210 nan 0.000 0.516 217 L N 7.465 128.702 121.223 0.024 0.000 2.333 217 L HA 0.557 4.897 4.340 0.000 0.000 0.263 217 L C -2.394 174.495 176.870 0.033 0.000 1.014 217 L CA -2.149 52.707 54.840 0.026 0.000 0.820 217 L CB 1.366 43.442 42.059 0.029 0.000 1.352 217 L HN 0.303 nan 8.230 nan 0.000 0.421 218 P HA 0.018 nan 4.420 nan 0.000 0.261 218 P C 0.186 177.518 177.300 0.052 0.000 1.183 218 P CA 0.117 63.238 63.100 0.036 0.000 0.761 218 P CB 0.488 32.207 31.700 0.031 0.000 0.785 219 E N 2.435 122.674 120.200 0.065 0.000 2.097 219 E HA -0.214 4.136 4.350 0.000 0.000 0.196 219 E C 2.149 178.818 176.600 0.115 0.000 1.000 219 E CA 1.676 58.138 56.400 0.103 0.000 0.804 219 E CB -0.555 29.215 29.700 0.117 0.000 0.740 219 E HN 0.670 nan 8.360 nan 0.000 0.454 220 G N 1.356 110.211 108.800 0.092 0.000 2.422 220 G HA2 -0.323 3.638 3.960 0.000 0.000 0.218 220 G HA3 -0.323 3.638 3.960 0.000 0.000 0.218 220 G C 1.425 176.361 174.900 0.059 0.000 1.146 220 G CA 0.837 45.986 45.100 0.081 0.000 0.769 220 G HN 0.293 nan 8.290 nan 0.000 0.547 221 E N 0.423 120.652 120.200 0.050 0.000 2.106 221 E HA 0.017 4.367 4.350 0.000 0.000 0.192 221 E C 2.753 179.376 176.600 0.037 0.000 0.984 221 E CA 0.803 57.225 56.400 0.037 0.000 0.806 221 E CB -0.185 29.535 29.700 0.032 0.000 0.750 221 E HN 0.335 nan 8.360 nan 0.000 0.458 222 A N 0.599 123.449 122.820 0.050 0.000 1.877 222 A HA -0.134 4.186 4.320 0.000 0.000 0.216 222 A C 2.387 179.995 177.584 0.040 0.000 1.186 222 A CA 1.451 53.519 52.037 0.051 0.000 0.620 222 A CB -0.682 18.361 19.000 0.073 0.000 0.822 222 A HN 0.218 nan 8.150 nan 0.000 0.443 223 V N -0.215 119.725 119.914 0.043 0.000 2.358 223 V HA -0.216 3.904 4.120 0.000 0.000 0.246 223 V C 3.011 179.098 176.094 -0.012 0.000 1.047 223 V CA 1.889 64.186 62.300 -0.006 0.000 1.035 223 V CB -1.133 30.676 31.823 -0.023 0.000 0.658 223 V HN 0.611 nan 8.190 nan 0.000 0.452 224 A N -0.161 122.663 122.820 0.006 0.000 1.969 224 A HA 0.001 4.321 4.320 0.000 0.000 0.218 224 A C 2.381 179.968 177.584 0.005 0.000 1.169 224 A CA 1.731 53.770 52.037 0.004 0.000 0.635 224 A CB -0.581 18.426 19.000 0.012 0.000 0.810 224 A HN 0.544 nan 8.150 nan 0.000 0.445 225 A N -0.558 122.268 122.820 0.011 0.000 1.930 225 A HA 0.055 4.375 4.320 0.000 0.000 0.217 225 A C 2.171 179.760 177.584 0.008 0.000 1.175 225 A CA 1.599 53.642 52.037 0.011 0.000 0.627 225 A CB -0.740 18.269 19.000 0.016 0.000 0.815 225 A HN 0.336 nan 8.150 nan 0.000 0.443 226 V N 0.134 120.052 119.914 0.006 0.000 2.358 226 V HA -0.217 3.903 4.120 0.000 0.000 0.246 226 V C 2.681 178.780 176.094 0.007 0.000 1.047 226 V CA 2.295 64.600 62.300 0.009 0.000 1.035 226 V CB -0.767 31.058 31.823 0.003 0.000 0.658 226 V HN 0.646 nan 8.190 nan 0.000 0.452 227 R N 1.292 121.791 120.500 -0.003 0.000 2.073 227 R HA -0.072 4.268 4.340 0.000 0.000 0.234 227 R C 2.159 178.456 176.300 -0.005 0.000 1.134 227 R CA 2.052 58.150 56.100 -0.004 0.000 0.952 227 R CB -1.110 29.184 30.300 -0.010 0.000 0.850 227 R HN 0.410 nan 8.270 nan 0.000 0.433 228 A N 0.390 123.209 122.820 -0.003 0.000 1.877 228 A HA -0.044 4.276 4.320 0.000 0.000 0.216 228 A C 2.417 179.996 177.584 -0.009 0.000 1.186 228 A CA 2.014 54.049 52.037 -0.004 0.000 0.620 228 A CB -1.209 17.792 19.000 0.001 0.000 0.822 228 A HN 0.504 nan 8.150 nan 0.000 0.443 229 A N -0.680 122.135 122.820 -0.007 0.000 1.902 229 A HA -0.046 4.274 4.320 0.000 0.000 0.217 229 A C 2.146 179.712 177.584 -0.031 0.000 1.181 229 A CA 1.799 53.828 52.037 -0.014 0.000 0.623 229 A CB -0.614 18.383 19.000 -0.006 0.000 0.818 229 A HN 0.688 nan 8.150 nan 0.000 0.443 230 L N -0.315 120.890 121.223 -0.030 0.000 2.056 230 L HA -0.097 4.243 4.340 0.000 0.000 0.207 230 L C 2.195 179.020 176.870 -0.076 0.000 1.078 230 L CA 2.623 57.421 54.840 -0.070 0.000 0.749 230 L CB -0.685 41.343 42.059 -0.052 0.000 0.901 230 L HN 0.425 nan 8.230 nan 0.000 0.433 231 E N -0.031 120.143 120.200 -0.044 0.000 2.085 231 E HA -0.277 4.074 4.350 0.000 0.000 0.194 231 E C 2.288 178.864 176.600 -0.040 0.000 0.994 231 E CA 1.715 58.094 56.400 -0.035 0.000 0.801 231 E CB -0.175 29.515 29.700 -0.016 0.000 0.743 231 E HN 0.492 nan 8.360 nan 0.000 0.453 232 K N -0.576 119.802 120.400 -0.036 0.000 2.025 232 K HA -0.063 4.257 4.320 0.000 0.000 0.207 232 K C 2.066 178.631 176.600 -0.058 0.000 1.049 232 K CA 1.151 57.418 56.287 -0.032 0.000 0.933 232 K CB -0.247 32.242 32.500 -0.018 0.000 0.714 232 K HN 0.146 nan 8.250 nan 0.000 0.438 233 A N 0.718 123.489 122.820 -0.082 0.000 1.940 233 A HA -0.132 4.188 4.320 0.000 0.000 0.219 233 A C 2.218 179.689 177.584 -0.189 0.000 1.176 233 A CA 1.787 53.741 52.037 -0.138 0.000 0.631 233 A CB -0.650 18.268 19.000 -0.137 0.000 0.814 233 A HN 0.198 nan 8.150 nan 0.000 0.446 234 V N -0.440 119.387 119.914 -0.145 0.000 2.379 234 V HA -0.175 3.945 4.120 0.000 0.000 0.245 234 V C 3.042 179.082 176.094 -0.090 0.000 1.044 234 V CA 1.752 63.974 62.300 -0.130 0.000 1.036 234 V CB -1.146 30.617 31.823 -0.100 0.000 0.664 234 V HN 0.614 nan 8.190 nan 0.000 0.453 235 A N -0.758 122.025 122.820 -0.062 0.000 1.933 235 A HA -0.298 4.022 4.320 0.000 0.000 0.218 235 A C 2.155 179.727 177.584 -0.020 0.000 1.175 235 A CA 1.942 53.961 52.037 -0.031 0.000 0.628 235 A CB -0.501 18.488 19.000 -0.019 0.000 0.814 235 A HN 0.623 nan 8.150 nan 0.000 0.444 236 Q N -0.910 118.867 119.800 -0.039 0.000 2.226 236 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 236 Q C 1.873 177.881 176.000 0.014 0.000 0.975 236 Q CA 1.303 57.111 55.803 0.008 0.000 0.866 236 Q CB -0.085 28.653 28.738 0.000 0.000 0.915 236 Q HN 0.620 nan 8.270 nan 0.000 0.440 237 R N -0.328 120.091 120.500 -0.135 0.000 2.317 237 R HA 0.131 4.471 4.340 0.000 0.000 0.208 237 R C -0.352 175.981 176.300 0.056 0.000 0.914 237 R CA -0.084 55.969 56.100 -0.077 0.000 1.060 237 R CB 0.757 30.912 30.300 -0.242 0.000 1.015 237 R HN -0.052 nan 8.270 nan 0.000 0.498 238 V N 1.412 121.349 119.914 0.038 0.000 2.435 238 V HA 0.170 4.290 4.120 0.000 0.000 0.290 238 V C 0.193 176.322 176.094 0.059 0.000 1.030 238 V CA -0.584 61.745 62.300 0.049 0.000 0.881 238 V CB 1.838 33.672 31.823 0.019 0.000 0.983 238 V HN 0.067 nan 8.190 nan 0.000 0.445 239 T N 7.892 122.486 114.554 0.066 0.000 2.794 239 T HA 0.269 4.619 4.350 0.000 0.000 0.296 239 T C -2.306 172.413 174.700 0.032 0.000 0.949 239 T CA -0.805 61.326 62.100 0.052 0.000 1.101 239 T CB 0.952 69.852 68.868 0.053 0.000 0.905 239 T HN 0.538 nan 8.240 nan 0.000 0.516 240 P HA 0.201 nan 4.420 nan 0.000 0.267 240 P C 0.898 178.204 177.300 0.010 0.000 1.209 240 P CA 0.318 63.426 63.100 0.012 0.000 0.763 240 P CB 0.605 32.310 31.700 0.009 0.000 0.816 241 G N 2.082 110.886 108.800 0.007 0.000 2.176 241 G HA2 -0.200 3.761 3.960 0.000 0.000 0.232 241 G HA3 -0.200 3.761 3.960 0.000 0.000 0.232 241 G C -0.263 174.645 174.900 0.013 0.000 0.986 241 G CA 0.232 45.336 45.100 0.007 0.000 0.643 241 G HN 0.716 nan 8.290 nan 0.000 0.522 242 D N 0.214 120.626 120.400 0.019 0.000 2.629 242 D HA 0.586 5.227 4.640 0.000 0.000 0.250 242 D C -0.033 176.285 176.300 0.030 0.000 1.126 242 D CA -0.203 53.815 54.000 0.030 0.000 0.852 242 D CB 1.252 42.077 40.800 0.043 0.000 1.335 242 D HN -0.039 nan 8.370 nan 0.000 0.518 243 T N 5.753 120.326 114.554 0.031 0.000 2.729 243 T HA 0.362 4.712 4.350 0.000 0.000 0.296 243 T C -2.174 172.556 174.700 0.049 0.000 0.928 243 T CA -0.939 61.180 62.100 0.031 0.000 1.045 243 T CB 1.163 70.048 68.868 0.028 0.000 0.902 243 T HN 0.349 nan 8.240 nan 0.000 0.500 244 P HA 0.352 nan 4.420 nan 0.000 0.276 244 P C -0.946 176.394 177.300 0.067 0.000 1.261 244 P CA -0.817 62.323 63.100 0.066 0.000 0.800 244 P CB 0.894 32.630 31.700 0.060 0.000 1.066 245 L N 1.513 122.778 121.223 0.070 0.000 2.313 245 L HA 0.430 4.770 4.340 0.000 0.000 0.283 245 L C -0.950 175.960 176.870 0.068 0.000 1.013 245 L CA -0.649 54.230 54.840 0.066 0.000 0.816 245 L CB 1.484 43.575 42.059 0.052 0.000 1.236 245 L HN 0.049 nan 8.230 nan 0.000 0.419 246 V N 5.766 125.727 119.914 0.080 0.000 2.459 246 V HA 0.390 4.511 4.120 0.000 0.000 0.295 246 V C -0.275 175.881 176.094 0.103 0.000 1.029 246 V CA -0.820 61.533 62.300 0.087 0.000 0.874 246 V CB 1.987 33.861 31.823 0.086 0.000 0.985 246 V HN 0.516 nan 8.190 nan 0.000 0.438 247 V N 6.505 126.486 119.914 0.112 0.000 2.439 247 V HA 0.178 4.299 4.120 0.000 0.000 0.271 247 V C -0.020 176.147 176.094 0.121 0.000 1.040 247 V CA 0.004 62.370 62.300 0.110 0.000 1.002 247 V CB 0.968 32.859 31.823 0.113 0.000 1.000 247 V HN 0.567 nan 8.190 nan 0.000 0.477 248 L N 5.997 127.302 121.223 0.137 0.000 2.307 248 L HA 0.608 4.948 4.340 0.000 0.000 0.284 248 L C 0.292 177.242 176.870 0.134 0.000 1.023 248 L CA 0.991 55.913 54.840 0.136 0.000 0.810 248 L CB 1.786 43.928 42.059 0.138 0.000 1.231 248 L HN 0.695 nan 8.230 nan 0.000 0.423 249 S N 1.832 117.595 115.700 0.105 0.000 2.795 249 S HA 0.610 5.080 4.470 0.000 0.000 0.308 249 S C 0.779 175.420 174.600 0.068 0.000 1.098 249 S CA -0.065 58.187 58.200 0.087 0.000 0.934 249 S CB 1.344 64.589 63.200 0.075 0.000 1.300 249 S HN 0.753 nan 8.310 nan 0.000 0.566 250 G N -0.390 108.439 108.800 0.048 0.000 3.088 250 G HA2 0.418 4.378 3.960 0.000 0.000 0.217 250 G HA3 0.418 4.378 3.960 0.000 0.000 0.217 250 G C 0.496 175.411 174.900 0.025 0.000 1.159 250 G CA 0.178 45.297 45.100 0.031 0.000 0.760 250 G HN 0.705 nan 8.290 nan 0.000 0.550 251 G N -0.034 108.787 108.800 0.035 0.000 2.537 251 G HA2 0.379 4.339 3.960 0.000 0.000 0.297 251 G HA3 0.379 4.339 3.960 0.000 0.000 0.297 251 G C 0.654 175.572 174.900 0.031 0.000 1.310 251 G CA -0.490 44.627 45.100 0.028 0.000 1.027 251 G HN 0.011 nan 8.290 nan 0.000 0.505 252 I N -0.446 120.135 120.570 0.018 0.000 2.546 252 I HA -0.005 4.165 4.170 0.000 0.000 0.255 252 I C 1.861 178.014 176.117 0.060 0.000 1.163 252 I CA 0.966 62.277 61.300 0.019 0.000 1.457 252 I CB -0.243 37.749 38.000 -0.013 0.000 1.092 252 I HN 0.385 nan 8.210 nan 0.000 0.434 253 D N 0.415 120.844 120.400 0.048 0.000 2.120 253 D HA -0.211 4.430 4.640 0.000 0.000 0.191 253 D C 2.432 178.903 176.300 0.285 0.000 0.994 253 D CA 2.303 56.368 54.000 0.108 0.000 0.838 253 D CB -0.726 40.105 40.800 0.051 0.000 0.976 253 D HN 0.478 nan 8.370 nan 0.000 0.447 254 S N 0.006 115.826 115.700 0.199 0.000 2.402 254 S HA -0.072 4.399 4.470 0.000 0.000 0.229 254 S C 2.130 176.809 174.600 0.132 0.000 1.021 254 S CA 1.148 59.456 58.200 0.180 0.000 0.974 254 S CB -0.268 63.019 63.200 0.145 0.000 0.800 254 S HN 0.040 nan 8.310 nan 0.000 0.484 255 S N 1.926 117.689 115.700 0.104 0.000 2.368 255 S HA 0.065 4.535 4.470 0.000 0.000 0.224 255 S C 2.163 176.809 174.600 0.077 0.000 1.029 255 S CA 1.061 59.303 58.200 0.069 0.000 0.988 255 S CB -1.119 62.104 63.200 0.037 0.000 0.838 255 S HN 0.754 nan 8.310 nan 0.000 0.462 256 G N 1.415 110.283 108.800 0.113 0.000 2.421 256 G HA2 -0.165 3.796 3.960 0.000 0.000 0.216 256 G HA3 -0.165 3.796 3.960 0.000 0.000 0.216 256 G C 1.456 176.397 174.900 0.068 0.000 1.171 256 G CA 1.016 46.184 45.100 0.113 0.000 0.775 256 G HN 0.417 nan 8.290 nan 0.000 0.543 257 V N 1.543 121.495 119.914 0.062 0.000 2.343 257 V HA -0.130 3.990 4.120 0.000 0.000 0.247 257 V C 3.323 179.431 176.094 0.024 0.000 1.051 257 V CA 2.000 64.288 62.300 -0.019 0.000 1.036 257 V CB -0.809 31.000 31.823 -0.023 0.000 0.654 257 V HN 0.485 nan 8.190 nan 0.000 0.451 258 A N 0.015 122.869 122.820 0.057 0.000 1.902 258 A HA -0.130 4.190 4.320 0.000 0.000 0.217 258 A C 2.443 180.077 177.584 0.083 0.000 1.181 258 A CA 2.121 54.199 52.037 0.070 0.000 0.623 258 A CB -0.809 18.229 19.000 0.064 0.000 0.818 258 A HN 0.569 nan 8.150 nan 0.000 0.443 259 A N -0.891 121.971 122.820 0.069 0.000 1.877 259 A HA -0.191 4.129 4.320 0.000 0.000 0.216 259 A C 2.329 179.965 177.584 0.087 0.000 1.186 259 A CA 1.785 53.869 52.037 0.079 0.000 0.620 259 A CB -1.302 17.737 19.000 0.065 0.000 0.822 259 A HN 0.621 nan 8.150 nan 0.000 0.443 260 C N -1.093 118.236 119.300 0.048 0.000 2.446 260 C HA 0.110 4.570 4.460 0.000 0.000 0.277 260 C C 3.320 178.327 174.990 0.030 0.000 1.275 260 C CA 0.665 59.697 59.018 0.024 0.000 1.727 260 C CB -1.358 26.371 27.740 -0.018 0.000 2.010 260 C HN 0.705 nan 8.230 nan 0.000 0.486 261 A N -0.324 122.517 122.820 0.036 0.000 1.933 261 A HA -0.239 4.081 4.320 0.000 0.000 0.218 261 A C 2.135 179.751 177.584 0.054 0.000 1.175 261 A CA 1.813 53.870 52.037 0.034 0.000 0.628 261 A CB -1.052 17.972 19.000 0.040 0.000 0.814 261 A HN 0.807 nan 8.150 nan 0.000 0.444 262 H N -0.262 118.812 119.070 0.008 0.000 2.353 262 H HA -0.104 4.453 4.556 0.000 0.000 0.300 262 H C 2.307 177.636 175.328 0.002 0.000 1.090 262 H CA 1.812 57.865 56.048 0.008 0.000 1.327 262 H CB -0.134 29.633 29.762 0.008 0.000 1.383 262 H HN 0.496 nan 8.280 nan 0.000 0.508 263 R N 0.401 120.931 120.500 0.050 0.000 2.081 263 R HA -0.083 4.257 4.340 0.000 0.000 0.235 263 R C 2.384 178.654 176.300 -0.049 0.000 1.131 263 R CA 1.169 57.268 56.100 -0.001 0.000 0.960 263 R CB -0.256 30.069 30.300 0.041 0.000 0.856 263 R HN 0.333 nan 8.270 nan 0.000 0.436 264 A N 0.224 123.024 122.820 -0.033 0.000 1.969 264 A HA 0.003 4.323 4.320 0.000 0.000 0.218 264 A C 2.045 179.600 177.584 -0.048 0.000 1.169 264 A CA 1.545 53.563 52.037 -0.032 0.000 0.635 264 A CB -0.277 18.711 19.000 -0.019 0.000 0.810 264 A HN 0.497 nan 8.150 nan 0.000 0.445 265 A N -2.612 120.163 122.820 -0.075 0.000 2.303 265 A HA 0.448 4.768 4.320 0.000 0.000 0.217 265 A C 1.843 179.348 177.584 -0.132 0.000 1.205 265 A CA 1.101 53.091 52.037 -0.078 0.000 0.875 265 A CB -0.475 18.495 19.000 -0.049 0.000 0.910 265 A HN 1.779 nan 8.150 nan 0.000 0.501 266 G N -0.230 108.432 108.800 -0.230 0.000 2.212 266 G HA2 -0.285 3.675 3.960 0.000 0.000 0.266 266 G HA3 -0.285 3.675 3.960 0.000 0.000 0.266 266 G C 0.004 174.681 174.900 -0.370 0.000 0.978 266 G CA 1.054 45.994 45.100 -0.268 0.000 0.632 266 G HN 1.303 nan 8.290 nan 0.000 0.537 267 E N -2.086 117.900 120.200 -0.357 0.000 2.432 267 E HA 0.786 5.137 4.350 0.000 0.000 0.279 267 E C -1.448 175.140 176.600 -0.019 0.000 1.099 267 E CA -1.170 55.125 56.400 -0.176 0.000 0.859 267 E CB 1.360 31.039 29.700 -0.036 0.000 1.402 267 E HN 0.979 nan 8.360 nan 0.000 0.451 268 L N 0.437 121.741 121.223 0.136 0.000 2.653 268 L HA 0.528 4.868 4.340 0.000 0.000 0.257 268 L C -2.192 174.748 176.870 0.116 0.000 0.969 268 L CA -0.308 54.612 54.840 0.133 0.000 0.869 268 L CB 2.420 44.599 42.059 0.200 0.000 1.439 268 L HN 0.667 nan 8.230 nan 0.000 0.414 269 D N 1.125 121.582 120.400 0.096 0.000 2.248 269 D HA 0.787 5.427 4.640 0.000 0.000 0.246 269 D C -0.754 175.611 176.300 0.108 0.000 1.027 269 D CA 0.106 54.160 54.000 0.091 0.000 0.853 269 D CB 2.122 42.962 40.800 0.067 0.000 1.243 269 D HN 0.700 nan 8.370 nan 0.000 0.462 270 T N -2.189 112.454 114.554 0.148 0.000 2.906 270 T HA 0.763 5.113 4.350 0.000 0.000 0.295 270 T C -0.825 173.985 174.700 0.184 0.000 1.075 270 T CA -0.959 61.268 62.100 0.212 0.000 1.005 270 T CB 1.751 70.793 68.868 0.290 0.000 1.136 270 T HN 0.172 nan 8.240 nan 0.000 0.498 271 V N 0.458 120.454 119.914 0.138 0.000 2.969 271 V HA 0.741 4.861 4.120 0.000 0.000 0.304 271 V C -1.387 174.743 176.094 0.061 0.000 1.192 271 V CA -0.319 61.951 62.300 -0.051 0.000 0.962 271 V CB 2.384 34.173 31.823 -0.058 0.000 1.045 271 V HN 1.219 nan 8.190 nan 0.000 0.428 272 S N 5.959 121.651 115.700 -0.013 0.000 2.542 272 S HA 0.787 5.257 4.470 0.000 0.000 0.293 272 S C -0.822 173.870 174.600 0.152 0.000 1.089 272 S CA -0.502 57.799 58.200 0.169 0.000 0.961 272 S CB 1.662 65.101 63.200 0.398 0.000 1.062 272 S HN 0.898 nan 8.310 nan 0.000 0.483 273 M N 2.525 122.239 119.600 0.190 0.000 2.383 273 M HA 0.784 5.265 4.480 0.000 0.000 0.325 273 M C -0.342 176.079 176.300 0.201 0.000 1.092 273 M CA -0.107 55.284 55.300 0.151 0.000 0.961 273 M CB 1.208 33.802 32.600 -0.010 0.000 1.672 273 M HN 0.714 nan 8.290 nan 0.000 0.438 274 G N 1.652 110.591 108.800 0.231 0.000 2.690 274 G HA2 0.711 4.671 3.960 0.000 0.000 0.291 274 G HA3 0.711 4.671 3.960 0.000 0.000 0.291 274 G C -1.202 173.712 174.900 0.024 0.000 1.403 274 G CA -0.301 44.796 45.100 -0.005 0.000 0.864 274 G HN 0.898 nan 8.290 nan 0.000 0.480 275 T N -2.393 112.127 114.554 -0.057 0.000 2.870 275 T HA 0.485 4.836 4.350 0.000 0.000 0.277 275 T C 0.611 175.298 174.700 -0.021 0.000 1.000 275 T CA 0.133 62.218 62.100 -0.024 0.000 0.982 275 T CB 1.863 70.710 68.868 -0.035 0.000 1.249 275 T HN 0.446 nan 8.240 nan 0.000 0.589 276 D N -0.401 119.995 120.400 -0.008 0.000 2.363 276 D HA -0.016 4.624 4.640 0.000 0.000 0.226 276 D C 1.626 177.916 176.300 -0.016 0.000 1.020 276 D CA 0.932 54.931 54.000 -0.003 0.000 0.892 276 D CB -0.601 40.201 40.800 0.003 0.000 0.900 276 D HN 0.716 nan 8.370 nan 0.000 0.531 277 T N -3.258 111.278 114.554 -0.030 0.000 3.038 277 T HA 0.195 4.546 4.350 0.000 0.000 0.244 277 T C 0.858 175.525 174.700 -0.055 0.000 1.016 277 T CA 0.502 62.583 62.100 -0.032 0.000 1.098 277 T CB 0.094 68.948 68.868 -0.023 0.000 0.954 277 T HN 0.249 nan 8.240 nan 0.000 0.469 278 S N 0.965 116.613 115.700 -0.088 0.000 2.611 278 S HA 0.662 5.132 4.470 0.000 0.000 0.268 278 S C -1.791 172.666 174.600 -0.239 0.000 1.156 278 S CA -0.708 57.413 58.200 -0.132 0.000 0.817 278 S CB 1.811 64.953 63.200 -0.097 0.000 1.122 278 S HN 0.902 nan 8.310 nan 0.000 0.466 279 N N -0.633 117.867 118.700 -0.333 0.000 3.116 279 N HA 0.440 5.181 4.740 0.000 0.000 0.244 279 N C -1.619 173.633 175.510 -0.430 0.000 1.485 279 N CA -0.942 51.753 53.050 -0.591 0.000 0.884 279 N CB 0.789 38.437 38.487 -1.399 0.000 1.415 279 N HN 0.667 nan 8.380 nan 0.000 0.524 280 E N -0.813 119.146 120.200 -0.401 0.000 2.995 280 E HA 0.268 4.618 4.350 0.000 0.000 0.203 280 E C -0.228 176.393 176.600 0.035 0.000 0.980 280 E CA -0.316 56.007 56.400 -0.129 0.000 1.172 280 E CB -0.033 29.642 29.700 -0.042 0.000 1.088 280 E HN 0.364 nan 8.360 nan 0.000 0.463 281 F N 0.781 120.753 119.950 0.037 0.000 2.171 281 F HA -0.105 4.423 4.527 0.000 0.000 0.300 281 F C 2.414 178.235 175.800 0.035 0.000 1.090 281 F CA 1.053 59.089 58.000 0.061 0.000 1.293 281 F CB -0.519 38.519 39.000 0.062 0.000 1.013 281 F HN 0.110 nan 8.300 nan 0.000 0.486 282 R N 0.546 121.161 120.500 0.191 0.000 2.066 282 R HA -0.161 4.180 4.340 0.000 0.000 0.232 282 R C 2.025 178.361 176.300 0.059 0.000 1.131 282 R CA 1.669 57.831 56.100 0.103 0.000 0.955 282 R CB -0.136 30.202 30.300 0.063 0.000 0.851 282 R HN 0.127 nan 8.270 nan 0.000 0.432 283 E N 0.176 120.403 120.200 0.046 0.000 2.110 283 E HA -0.142 4.208 4.350 0.000 0.000 0.193 283 E C 1.791 178.401 176.600 0.016 0.000 0.988 283 E CA 1.515 57.929 56.400 0.022 0.000 0.804 283 E CB -0.199 29.510 29.700 0.015 0.000 0.745 283 E HN 0.475 nan 8.360 nan 0.000 0.458 284 A N 0.972 123.817 122.820 0.041 0.000 1.898 284 A HA -0.145 4.175 4.320 0.000 0.000 0.216 284 A C 1.987 179.505 177.584 -0.110 0.000 1.181 284 A CA 1.159 53.190 52.037 -0.009 0.000 0.620 284 A CB -0.280 18.758 19.000 0.063 0.000 0.819 284 A HN 0.049 nan 8.150 nan 0.000 0.442 285 R N -0.356 120.104 120.500 -0.067 0.000 2.159 285 R HA -0.131 4.209 4.340 0.000 0.000 0.237 285 R C 2.363 178.627 176.300 -0.060 0.000 1.131 285 R CA 1.108 57.153 56.100 -0.093 0.000 0.982 285 R CB -0.536 29.760 30.300 -0.006 0.000 0.868 285 R HN 0.537 nan 8.270 nan 0.000 0.453 286 A N 0.710 123.511 122.820 -0.032 0.000 1.908 286 A HA -0.120 4.201 4.320 0.000 0.000 0.218 286 A C 2.354 179.930 177.584 -0.014 0.000 1.181 286 A CA 1.469 53.494 52.037 -0.020 0.000 0.627 286 A CB -0.367 18.617 19.000 -0.025 0.000 0.818 286 A HN 0.121 nan 8.150 nan 0.000 0.445 287 V N -0.683 119.210 119.914 -0.035 0.000 2.488 287 V HA -0.158 3.962 4.120 0.000 0.000 0.246 287 V C 2.540 178.616 176.094 -0.030 0.000 1.046 287 V CA 1.541 63.833 62.300 -0.013 0.000 1.053 287 V CB -0.554 31.253 31.823 -0.027 0.000 0.679 287 V HN 0.352 nan 8.190 nan 0.000 0.458 288 V N 0.632 120.480 119.914 -0.111 0.000 2.282 288 V HA -0.299 3.821 4.120 0.000 0.000 0.249 288 V C 2.300 178.353 176.094 -0.068 0.000 1.057 288 V CA 2.423 64.638 62.300 -0.141 0.000 1.032 288 V CB -0.686 30.973 31.823 -0.273 0.000 0.645 288 V HN 0.581 nan 8.190 nan 0.000 0.447 289 D N -1.317 119.061 120.400 -0.038 0.000 2.144 289 D HA -0.163 4.477 4.640 0.000 0.000 0.200 289 D C 2.058 178.354 176.300 -0.007 0.000 0.978 289 D CA 1.583 55.575 54.000 -0.014 0.000 0.833 289 D CB -0.365 40.437 40.800 0.004 0.000 0.961 289 D HN 0.599 nan 8.370 nan 0.000 0.470 290 H N 0.431 119.454 119.070 -0.078 0.000 2.387 290 H HA 0.023 4.579 4.556 0.000 0.000 0.299 290 H C 1.894 177.144 175.328 -0.129 0.000 1.090 290 H CA 1.248 57.246 56.048 -0.083 0.000 1.332 290 H CB -0.130 29.588 29.762 -0.073 0.000 1.386 290 H HN 0.053 nan 8.280 nan 0.000 0.516 291 L N -0.778 120.333 121.223 -0.186 0.000 2.554 291 L HA 0.145 4.485 4.340 0.000 0.000 0.225 291 L C 0.246 176.904 176.870 -0.353 0.000 1.104 291 L CA -0.025 54.571 54.840 -0.408 0.000 0.866 291 L CB 0.324 42.156 42.059 -0.377 0.000 1.047 291 L HN 0.122 nan 8.230 nan 0.000 0.468 292 R N 1.336 121.739 120.500 -0.161 0.000 3.209 292 R HA -0.120 4.221 4.340 0.000 0.000 0.252 292 R C 0.231 176.526 176.300 -0.009 0.000 0.958 292 R CA 0.934 56.994 56.100 -0.067 0.000 0.651 292 R CB -2.756 27.517 30.300 -0.045 0.000 1.142 292 R HN 0.489 nan 8.270 nan 0.000 0.441 293 T N -2.979 111.573 114.554 -0.004 0.000 2.902 293 T HA 0.507 4.858 4.350 0.000 0.000 0.280 293 T C 0.550 175.295 174.700 0.076 0.000 0.992 293 T CA -1.009 61.128 62.100 0.061 0.000 1.015 293 T CB 2.179 71.085 68.868 0.063 0.000 1.044 293 T HN 0.394 nan 8.240 nan 0.000 0.520 294 R N 1.255 121.810 120.500 0.091 0.000 2.220 294 R HA 0.275 4.615 4.340 0.000 0.000 0.340 294 R C -0.766 175.608 176.300 0.123 0.000 1.076 294 R CA -0.428 55.722 56.100 0.084 0.000 0.920 294 R CB -0.345 29.991 30.300 0.060 0.000 1.062 294 R HN 0.824 nan 8.270 nan 0.000 0.469 295 H N 2.719 121.787 119.070 -0.004 0.000 2.533 295 H HA 0.479 5.035 4.556 0.000 0.000 0.343 295 H C -1.042 174.260 175.328 -0.043 0.000 1.160 295 H CA -0.642 55.395 56.048 -0.019 0.000 1.218 295 H CB 1.064 30.813 29.762 -0.021 0.000 1.566 295 H HN 0.572 nan 8.280 nan 0.000 0.522 296 R N 2.838 122.944 120.500 -0.657 0.000 2.564 296 R HA 0.288 4.628 4.340 0.000 0.000 0.284 296 R C -1.290 174.573 176.300 -0.729 0.000 1.031 296 R CA -0.646 55.152 56.100 -0.502 0.000 0.904 296 R CB 1.266 31.408 30.300 -0.263 0.000 1.199 296 R HN 0.762 nan 8.270 nan 0.000 0.443 297 E N 4.070 123.934 120.200 -0.559 0.000 2.171 297 E HA 0.357 4.707 4.350 0.000 0.000 0.271 297 E C -0.901 175.451 176.600 -0.412 0.000 0.916 297 E CA -0.853 55.163 56.400 -0.641 0.000 0.774 297 E CB 2.023 31.135 29.700 -0.980 0.000 1.128 297 E HN 0.304 nan 8.360 nan 0.000 0.403 298 I N 1.888 122.305 120.570 -0.255 0.000 2.465 298 I HA 0.242 4.412 4.170 0.000 0.000 0.291 298 I C -0.295 175.860 176.117 0.064 0.000 1.014 298 I CA -0.288 60.956 61.300 -0.093 0.000 1.093 298 I CB 2.186 40.146 38.000 -0.067 0.000 1.267 298 I HN 0.342 nan 8.210 nan 0.000 0.431 299 T N 7.194 121.789 114.554 0.068 0.000 2.812 299 T HA 0.765 5.115 4.350 0.000 0.000 0.282 299 T C -0.396 174.337 174.700 0.054 0.000 0.990 299 T CA -0.395 61.789 62.100 0.140 0.000 0.960 299 T CB 0.942 69.910 68.868 0.167 0.000 0.948 299 T HN 0.506 nan 8.240 nan 0.000 0.438 300 I N 0.756 121.348 120.570 0.037 0.000 2.608 300 I HA 0.710 4.880 4.170 0.000 0.000 0.295 300 I C -3.127 172.991 176.117 0.002 0.000 1.049 300 I CA -3.362 57.941 61.300 0.005 0.000 1.063 300 I CB 2.326 40.315 38.000 -0.018 0.000 1.248 300 I HN 0.272 nan 8.210 nan 0.000 0.424 301 P HA 0.135 nan 4.420 nan 0.000 0.269 301 P C 0.535 177.830 177.300 -0.007 0.000 1.209 301 P CA -0.050 63.048 63.100 -0.002 0.000 0.776 301 P CB 0.688 32.387 31.700 -0.002 0.000 0.876 302 T N 0.350 114.901 114.554 -0.005 0.000 2.803 302 T HA -0.163 4.187 4.350 0.000 0.000 0.269 302 T C 1.691 176.391 174.700 -0.001 0.000 1.052 302 T CA 2.280 64.377 62.100 -0.004 0.000 1.136 302 T CB -0.964 67.906 68.868 0.003 0.000 0.864 302 T HN 0.643 nan 8.240 nan 0.000 0.467 303 T N 0.351 114.906 114.554 0.002 0.000 2.833 303 T HA -0.079 4.271 4.350 0.000 0.000 0.269 303 T C 1.766 176.465 174.700 -0.002 0.000 1.054 303 T CA 1.380 63.484 62.100 0.007 0.000 1.135 303 T CB -0.217 68.656 68.868 0.008 0.000 0.869 303 T HN 0.512 nan 8.240 nan 0.000 0.466 304 E N 0.480 120.674 120.200 -0.011 0.000 2.158 304 E HA 0.052 4.402 4.350 0.000 0.000 0.191 304 E C 2.125 178.703 176.600 -0.036 0.000 0.982 304 E CA 0.405 56.791 56.400 -0.022 0.000 0.823 304 E CB -0.170 29.514 29.700 -0.027 0.000 0.766 304 E HN 0.580 nan 8.360 nan 0.000 0.468 305 L N 0.572 121.773 121.223 -0.037 0.000 2.093 305 L HA -0.109 4.231 4.340 0.000 0.000 0.208 305 L C 2.108 178.944 176.870 -0.058 0.000 1.085 305 L CA 0.931 55.739 54.840 -0.053 0.000 0.755 305 L CB -0.029 42.000 42.059 -0.050 0.000 0.904 305 L HN 0.211 nan 8.230 nan 0.000 0.435 306 L N -0.204 120.994 121.223 -0.041 0.000 2.217 306 L HA -0.084 4.256 4.340 0.000 0.000 0.211 306 L C 2.664 179.506 176.870 -0.046 0.000 1.107 306 L CA 0.722 55.528 54.840 -0.056 0.000 0.783 306 L CB -0.666 41.389 42.059 -0.008 0.000 0.919 306 L HN 0.320 nan 8.230 nan 0.000 0.442 307 A N -0.797 122.015 122.820 -0.014 0.000 2.172 307 A HA -0.189 4.131 4.320 0.000 0.000 0.216 307 A C 2.100 179.726 177.584 0.069 0.000 1.154 307 A CA 0.979 53.030 52.037 0.023 0.000 0.701 307 A CB -0.245 18.768 19.000 0.023 0.000 0.789 307 A HN 0.309 nan 8.150 nan 0.000 0.465 308 Q N -0.509 119.303 119.800 0.020 0.000 2.435 308 Q HA 0.160 4.500 4.340 0.000 0.000 0.207 308 Q C 1.665 177.720 176.000 0.092 0.000 0.956 308 Q CA 0.310 56.153 55.803 0.067 0.000 0.917 308 Q CB -0.531 28.188 28.738 -0.031 0.000 0.997 308 Q HN 0.734 nan 8.270 nan 0.000 0.497 309 L N 1.187 122.396 121.223 -0.024 0.000 1.991 309 L HA -0.253 4.087 4.340 0.000 0.000 0.221 309 L C -0.602 176.256 176.870 -0.020 0.000 1.079 309 L CA 2.056 56.834 54.840 -0.103 0.000 0.778 309 L CB -1.657 40.283 42.059 -0.199 0.000 0.893 309 L HN 0.276 nan 8.230 nan 0.000 0.437 310 P HA -0.213 nan 4.420 nan 0.000 0.216 310 P C 1.284 178.531 177.300 -0.089 0.000 1.150 310 P CA 1.746 64.788 63.100 -0.097 0.000 0.837 310 P CB -0.115 31.456 31.700 -0.215 0.000 0.786 311 Y N 0.843 121.146 120.300 0.006 0.000 2.200 311 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 311 Y C 2.942 178.925 175.900 0.138 0.000 1.137 311 Y CA 1.374 59.537 58.100 0.106 0.000 1.163 311 Y CB -1.499 37.010 38.460 0.081 0.000 0.988 311 Y HN -0.043 nan 8.280 nan 0.000 0.518 312 A N -0.406 122.539 122.820 0.209 0.000 1.902 312 A HA -0.146 4.174 4.320 0.000 0.000 0.217 312 A C 2.362 180.016 177.584 0.116 0.000 1.181 312 A CA 2.022 54.133 52.037 0.123 0.000 0.623 312 A CB -1.164 17.863 19.000 0.044 0.000 0.818 312 A HN 0.253 nan 8.150 nan 0.000 0.443 313 V N -2.340 117.645 119.914 0.118 0.000 2.379 313 V HA -0.214 3.906 4.120 0.000 0.000 0.245 313 V C 2.166 178.368 176.094 0.180 0.000 1.044 313 V CA 1.690 64.080 62.300 0.151 0.000 1.036 313 V CB -0.897 31.015 31.823 0.148 0.000 0.664 313 V HN 0.848 nan 8.190 nan 0.000 0.453 314 W N 1.180 122.433 121.300 -0.077 0.000 2.358 314 W HA -0.183 4.477 4.660 0.000 0.000 0.303 314 W C 2.428 178.896 176.519 -0.086 0.000 1.208 314 W CA 2.046 59.303 57.345 -0.146 0.000 1.274 314 W CB -0.437 28.875 29.460 -0.247 0.000 1.138 314 W HN 0.194 nan 8.180 nan 0.000 0.515 315 A N -0.352 122.481 122.820 0.022 0.000 1.874 315 A HA -0.115 4.206 4.320 0.000 0.000 0.214 315 A C 2.121 179.656 177.584 -0.082 0.000 1.189 315 A CA 2.310 54.270 52.037 -0.128 0.000 0.615 315 A CB -1.334 17.668 19.000 0.003 0.000 0.830 315 A HN 0.315 nan 8.150 nan 0.000 0.443 316 S N -0.923 114.779 115.700 0.005 0.000 2.470 316 S HA -0.014 4.456 4.470 0.000 0.000 0.225 316 S C 0.574 175.214 174.600 0.067 0.000 1.006 316 S CA 0.895 59.107 58.200 0.021 0.000 0.934 316 S CB -0.406 62.816 63.200 0.037 0.000 0.778 316 S HN 0.582 nan 8.310 nan 0.000 0.517 317 E N 0.624 120.882 120.200 0.098 0.000 2.586 317 E HA -0.171 4.179 4.350 0.000 0.000 0.259 317 E C -0.294 176.491 176.600 0.307 0.000 1.107 317 E CA 0.651 57.186 56.400 0.225 0.000 0.754 317 E CB -2.018 27.735 29.700 0.088 0.000 1.335 317 E HN 0.521 nan 8.360 nan 0.000 0.411 318 S N -0.220 115.597 115.700 0.195 0.000 2.549 318 S HA 0.463 4.933 4.470 0.000 0.000 0.297 318 S C 0.798 175.411 174.600 0.021 0.000 1.115 318 S CA -0.182 58.065 58.200 0.078 0.000 1.059 318 S CB 1.894 65.127 63.200 0.055 0.000 1.046 318 S HN 0.382 nan 8.310 nan 0.000 0.506 319 V N 0.551 120.398 119.914 -0.112 0.000 3.578 319 V HA 0.412 4.533 4.120 0.000 0.000 0.290 319 V C 0.362 176.428 176.094 -0.046 0.000 1.376 319 V CA -0.252 61.961 62.300 -0.146 0.000 1.083 319 V CB -0.181 31.445 31.823 -0.329 0.000 0.911 319 V HN 0.734 nan 8.190 nan 0.000 0.433 320 D N 3.079 123.474 120.400 -0.008 0.000 2.336 320 D HA 0.254 4.895 4.640 0.000 0.000 0.249 320 D C -1.178 175.155 176.300 0.055 0.000 1.213 320 D CA -1.894 52.123 54.000 0.028 0.000 0.870 320 D CB 2.248 43.070 40.800 0.037 0.000 1.076 320 D HN 0.187 nan 8.370 nan 0.000 0.483 321 P HA -0.144 nan 4.420 nan 0.000 0.218 321 P C 0.783 178.148 177.300 0.108 0.000 1.148 321 P CA 0.834 63.983 63.100 0.081 0.000 0.822 321 P CB 0.635 32.282 31.700 -0.089 0.000 0.784 322 D N -0.123 120.324 120.400 0.078 0.000 2.097 322 D HA -0.127 4.513 4.640 0.000 0.000 0.195 322 D C 2.050 178.434 176.300 0.139 0.000 0.989 322 D CA 1.125 55.197 54.000 0.119 0.000 0.827 322 D CB -0.295 40.585 40.800 0.134 0.000 0.966 322 D HN 0.149 nan 8.370 nan 0.000 0.456 323 I N 1.429 122.066 120.570 0.111 0.000 2.252 323 I HA -0.219 3.952 4.170 0.000 0.000 0.245 323 I C 2.325 178.519 176.117 0.129 0.000 1.102 323 I CA 0.561 61.928 61.300 0.111 0.000 1.385 323 I CB -0.278 37.760 38.000 0.062 0.000 1.064 323 I HN 0.013 nan 8.210 nan 0.000 0.414 324 I N 0.378 121.012 120.570 0.106 0.000 2.264 324 I HA -0.261 3.909 4.170 0.000 0.000 0.248 324 I C 2.438 178.591 176.117 0.059 0.000 1.111 324 I CA 1.511 62.853 61.300 0.070 0.000 1.382 324 I CB -1.324 36.710 38.000 0.057 0.000 1.060 324 I HN 0.401 nan 8.210 nan 0.000 0.418 325 E N -0.113 120.175 120.200 0.146 0.000 2.051 325 E HA -0.275 4.075 4.350 0.000 0.000 0.192 325 E C 2.249 178.915 176.600 0.110 0.000 0.991 325 E CA 1.408 57.901 56.400 0.156 0.000 0.799 325 E CB -0.369 29.480 29.700 0.249 0.000 0.748 325 E HN 0.460 nan 8.360 nan 0.000 0.449 326 Y N 1.292 121.617 120.300 0.042 0.000 2.224 326 Y HA -0.166 4.384 4.550 0.000 0.000 0.289 326 Y C 1.939 177.831 175.900 -0.012 0.000 1.146 326 Y CA 1.268 59.384 58.100 0.026 0.000 1.182 326 Y CB -0.017 38.472 38.460 0.047 0.000 0.983 326 Y HN -0.043 nan 8.280 nan 0.000 0.524 327 L N -0.868 120.359 121.223 0.007 0.000 2.418 327 L HA -0.130 4.211 4.340 0.000 0.000 0.218 327 L C 2.190 178.987 176.870 -0.122 0.000 1.125 327 L CA 0.212 55.007 54.840 -0.076 0.000 0.835 327 L CB -0.425 41.637 42.059 0.005 0.000 0.953 327 L HN 0.263 nan 8.230 nan 0.000 0.454 328 L N 0.357 121.515 121.223 -0.109 0.000 1.990 328 L HA -0.203 4.138 4.340 0.000 0.000 0.213 328 L C -0.068 176.710 176.870 -0.154 0.000 1.072 328 L CA 1.866 56.635 54.840 -0.118 0.000 0.755 328 L CB -1.868 40.118 42.059 -0.121 0.000 0.889 328 L HN 0.240 nan 8.230 nan 0.000 0.432 329 P HA -0.170 nan 4.420 nan 0.000 0.215 329 P C 1.932 179.058 177.300 -0.290 0.000 1.153 329 P CA 1.370 64.343 63.100 -0.212 0.000 0.853 329 P CB 0.071 31.635 31.700 -0.226 0.000 0.788 330 L N -1.500 119.502 121.223 -0.368 0.000 2.056 330 L HA -0.141 4.199 4.340 0.000 0.000 0.207 330 L C 2.311 178.792 176.870 -0.650 0.000 1.078 330 L CA 1.739 56.221 54.840 -0.597 0.000 0.749 330 L CB -1.631 40.148 42.059 -0.466 0.000 0.901 330 L HN 0.023 nan 8.230 nan 0.000 0.433 331 T N 0.104 114.503 114.554 -0.259 0.000 2.720 331 T HA -0.207 4.144 4.350 0.000 0.000 0.268 331 T C 2.014 176.643 174.700 -0.118 0.000 1.037 331 T CA 1.424 63.483 62.100 -0.067 0.000 1.144 331 T CB -0.280 68.592 68.868 0.006 0.000 0.864 331 T HN 0.450 nan 8.240 nan 0.000 0.444 332 A N 0.990 123.710 122.820 -0.166 0.000 1.933 332 A HA 0.047 4.368 4.320 0.000 0.000 0.218 332 A C 2.297 179.788 177.584 -0.155 0.000 1.175 332 A CA 1.173 53.122 52.037 -0.147 0.000 0.628 332 A CB -0.813 18.108 19.000 -0.130 0.000 0.814 332 A HN 0.498 nan 8.150 nan 0.000 0.444 333 L N -1.661 119.411 121.223 -0.251 0.000 2.027 333 L HA -0.168 4.173 4.340 0.000 0.000 0.206 333 L C 2.490 179.262 176.870 -0.165 0.000 1.074 333 L CA 1.601 56.294 54.840 -0.245 0.000 0.745 333 L CB -0.372 41.474 42.059 -0.354 0.000 0.898 333 L HN 0.487 nan 8.230 nan 0.000 0.433 334 Y N 0.289 120.541 120.300 -0.081 0.000 2.224 334 Y HA -0.183 4.367 4.550 0.000 0.000 0.289 334 Y C 2.694 178.588 175.900 -0.010 0.000 1.146 334 Y CA 1.066 59.119 58.100 -0.078 0.000 1.182 334 Y CB -0.662 37.778 38.460 -0.033 0.000 0.983 334 Y HN 0.160 nan 8.280 nan 0.000 0.524 335 R N -0.468 120.098 120.500 0.109 0.000 2.193 335 R HA 0.070 4.410 4.340 0.000 0.000 0.213 335 R C 2.303 178.619 176.300 0.026 0.000 1.055 335 R CA 0.758 56.893 56.100 0.058 0.000 0.995 335 R CB -0.306 29.966 30.300 -0.048 0.000 0.893 335 R HN 0.274 nan 8.270 nan 0.000 0.459 336 A N 1.287 124.102 122.820 -0.008 0.000 2.067 336 A HA 0.067 4.387 4.320 0.000 0.000 0.217 336 A C 1.027 178.610 177.584 -0.003 0.000 1.156 336 A CA 0.168 52.193 52.037 -0.021 0.000 0.683 336 A CB -0.163 18.807 19.000 -0.049 0.000 0.808 336 A HN 0.099 nan 8.150 nan 0.000 0.455 337 L N 0.591 121.817 121.223 0.006 0.000 2.514 337 L HA -0.013 4.327 4.340 0.000 0.000 0.280 337 L C 0.659 177.577 176.870 0.080 0.000 1.223 337 L CA -0.169 54.675 54.840 0.007 0.000 0.864 337 L CB 0.297 42.297 42.059 -0.099 0.000 1.118 337 L HN 0.343 nan 8.230 nan 0.000 0.494 338 D N 1.563 121.998 120.400 0.059 0.000 2.525 338 D HA 0.069 4.710 4.640 0.000 0.000 0.248 338 D C 1.139 177.489 176.300 0.083 0.000 1.000 338 D CA 0.585 54.623 54.000 0.064 0.000 0.923 338 D CB 0.138 40.955 40.800 0.028 0.000 1.101 338 D HN 0.678 nan 8.370 nan 0.000 0.493 339 G N 2.438 111.287 108.800 0.083 0.000 2.379 339 G HA2 0.111 4.071 3.960 0.000 0.000 0.287 339 G HA3 0.111 4.071 3.960 0.000 0.000 0.287 339 G C -1.867 173.102 174.900 0.115 0.000 1.422 339 G CA -0.353 44.799 45.100 0.086 0.000 1.081 339 G HN 0.050 nan 8.290 nan 0.000 0.569 340 P HA 0.235 nan 4.420 nan 0.000 0.274 340 P C -0.656 176.719 177.300 0.125 0.000 1.256 340 P CA -0.379 62.771 63.100 0.084 0.000 0.795 340 P CB 0.599 32.340 31.700 0.068 0.000 1.038 341 E N 0.825 121.044 120.200 0.031 0.000 2.417 341 E HA 0.073 4.424 4.350 0.000 0.000 0.261 341 E C 0.290 177.005 176.600 0.191 0.000 1.000 341 E CA 0.534 56.911 56.400 -0.037 0.000 0.919 341 E CB 0.052 29.734 29.700 -0.029 0.000 0.955 341 E HN 0.174 nan 8.360 nan 0.000 0.455 342 R N 2.276 123.049 120.500 0.455 0.000 2.787 342 R HA 0.438 4.778 4.340 0.000 0.000 0.271 342 R C -0.123 176.349 176.300 0.288 0.000 0.993 342 R CA -1.013 55.279 56.100 0.321 0.000 0.993 342 R CB 1.197 31.639 30.300 0.237 0.000 1.155 342 R HN 0.454 nan 8.270 nan 0.000 0.486 343 R N 2.022 122.655 120.500 0.223 0.000 2.207 343 R HA 0.428 4.768 4.340 0.000 0.000 0.334 343 R C -0.596 175.792 176.300 0.147 0.000 1.013 343 R CA -0.209 56.044 56.100 0.255 0.000 0.858 343 R CB 0.323 30.765 30.300 0.238 0.000 1.094 343 R HN 0.531 nan 8.270 nan 0.000 0.457 344 I N 5.514 126.129 120.570 0.074 0.000 2.474 344 I HA 0.313 4.483 4.170 0.000 0.000 0.294 344 I C -0.962 175.123 176.117 -0.054 0.000 1.005 344 I CA -1.239 60.065 61.300 0.006 0.000 1.113 344 I CB 1.816 39.797 38.000 -0.031 0.000 1.289 344 I HN 0.438 nan 8.210 nan 0.000 0.436 345 L N 4.973 126.192 121.223 -0.007 0.000 2.346 345 L HA 0.658 4.998 4.340 0.000 0.000 0.274 345 L C 0.286 177.190 176.870 0.057 0.000 1.007 345 L CA -0.144 54.681 54.840 -0.025 0.000 0.818 345 L CB 2.064 44.113 42.059 -0.017 0.000 1.284 345 L HN 0.726 nan 8.230 nan 0.000 0.424 346 T N -1.939 112.691 114.554 0.125 0.000 2.907 346 T HA 0.634 4.984 4.350 0.000 0.000 0.290 346 T C 0.505 175.385 174.700 0.301 0.000 1.066 346 T CA -0.246 62.006 62.100 0.253 0.000 1.012 346 T CB 1.753 70.859 68.868 0.397 0.000 1.184 346 T HN 0.602 nan 8.240 nan 0.000 0.522 347 G N 0.207 109.209 108.800 0.337 0.000 3.518 347 G HA2 0.221 4.181 3.960 0.000 0.000 0.273 347 G HA3 0.221 4.181 3.960 0.000 0.000 0.273 347 G C -0.089 175.097 174.900 0.478 0.000 1.199 347 G CA -0.489 44.895 45.100 0.473 0.000 0.899 347 G HN 0.770 nan 8.290 nan 0.000 0.533 348 Y N 0.793 121.290 120.300 0.329 0.000 2.578 348 Y HA 0.344 4.894 4.550 0.000 0.000 0.339 348 Y C 1.402 177.407 175.900 0.175 0.000 1.231 348 Y CA 0.862 59.073 58.100 0.185 0.000 1.461 348 Y CB 0.988 39.444 38.460 -0.007 0.000 1.323 348 Y HN 0.302 nan 8.280 nan 0.000 0.590 349 G N 2.803 110.825 108.800 -1.296 0.000 2.184 349 G HA2 -0.358 3.602 3.960 0.000 0.000 0.264 349 G HA3 -0.358 3.602 3.960 0.000 0.000 0.264 349 G C 1.016 175.829 174.900 -0.145 0.000 0.975 349 G CA 0.526 45.081 45.100 -0.908 0.000 0.642 349 G HN 1.433 nan 8.290 nan 0.000 0.536 350 A N 0.184 122.835 122.820 -0.282 0.000 1.972 350 A HA 0.064 4.384 4.320 0.000 0.000 0.219 350 A C 1.981 179.413 177.584 -0.254 0.000 1.169 350 A CA 2.128 53.887 52.037 -0.465 0.000 0.635 350 A CB -0.306 18.073 19.000 -1.035 0.000 0.810 350 A HN 0.426 nan 8.150 nan 0.000 0.446 351 D N 0.066 120.346 120.400 -0.200 0.000 2.218 351 D HA -0.110 4.531 4.640 0.000 0.000 0.204 351 D C 1.837 178.104 176.300 -0.055 0.000 0.976 351 D CA 1.039 54.970 54.000 -0.116 0.000 0.853 351 D CB -0.197 40.540 40.800 -0.105 0.000 0.939 351 D HN 0.569 nan 8.370 nan 0.000 0.481 352 I N 1.737 122.296 120.570 -0.017 0.000 2.090 352 I HA -0.181 3.989 4.170 0.000 0.000 0.236 352 I C -0.521 175.618 176.117 0.037 0.000 1.064 352 I CA 1.111 62.454 61.300 0.071 0.000 1.324 352 I CB -1.574 36.584 38.000 0.263 0.000 1.044 352 I HN 0.005 nan 8.210 nan 0.000 0.399 353 P HA -0.079 nan 4.420 nan 0.000 0.229 353 P C 1.537 178.809 177.300 -0.047 0.000 1.160 353 P CA 1.393 64.450 63.100 -0.072 0.000 0.777 353 P CB 0.112 31.708 31.700 -0.174 0.000 0.814 354 L N -1.483 119.712 121.223 -0.047 0.000 2.607 354 L HA 0.327 4.667 4.340 0.000 0.000 0.228 354 L C 1.287 178.155 176.870 -0.003 0.000 1.123 354 L CA 0.405 55.228 54.840 -0.029 0.000 0.890 354 L CB -0.819 41.208 42.059 -0.053 0.000 1.103 354 L HN 0.023 nan 8.230 nan 0.000 0.468 355 G N 0.730 109.528 108.800 -0.003 0.000 2.305 355 G HA2 -0.296 3.664 3.960 0.000 0.000 0.287 355 G HA3 -0.296 3.664 3.960 0.000 0.000 0.287 355 G C 0.995 175.924 174.900 0.049 0.000 1.036 355 G CA 0.302 45.409 45.100 0.012 0.000 0.887 355 G HN 0.502 nan 8.290 nan 0.000 0.505 356 G N -0.502 108.309 108.800 0.018 0.000 2.479 356 G HA2 -0.053 3.907 3.960 0.000 0.000 0.220 356 G HA3 -0.053 3.907 3.960 0.000 0.000 0.220 356 G C 1.442 176.369 174.900 0.045 0.000 1.115 356 G CA 1.242 46.355 45.100 0.021 0.000 0.757 356 G HN 0.508 nan 8.290 nan 0.000 0.560 357 M N 0.740 120.370 119.600 0.051 0.000 2.581 357 M HA 0.229 4.710 4.480 0.000 0.000 0.224 357 M C 0.702 177.074 176.300 0.120 0.000 1.171 357 M CA -0.561 54.778 55.300 0.063 0.000 0.993 357 M CB -1.186 31.440 32.600 0.043 0.000 1.685 357 M HN 0.368 nan 8.290 nan 0.000 0.479 364 P HA -0.150 nan 4.420 nan 0.000 0.215 364 P C 1.518 178.790 177.300 -0.047 0.000 1.157 364 P CA 2.202 65.299 63.100 -0.006 0.000 0.874 364 P CB 0.046 31.750 31.700 0.005 0.000 0.790 365 A N -0.774 122.025 122.820 -0.035 0.000 1.940 365 A HA -0.201 4.119 4.320 0.000 0.000 0.219 365 A C 2.246 179.593 177.584 -0.394 0.000 1.176 365 A CA 1.426 53.392 52.037 -0.120 0.000 0.631 365 A CB -1.677 17.358 19.000 0.058 0.000 0.814 365 A HN 0.170 nan 8.150 nan 0.000 0.446 366 L N -0.654 120.182 121.223 -0.646 0.000 1.989 366 L HA -0.223 4.117 4.340 0.000 0.000 0.211 366 L C 2.014 178.736 176.870 -0.248 0.000 1.071 366 L CA 2.171 56.617 54.840 -0.658 0.000 0.749 366 L CB -0.374 41.492 42.059 -0.322 0.000 0.890 366 L HN 0.341 nan 8.230 nan 0.000 0.431 367 D N -1.119 119.198 120.400 -0.138 0.000 2.178 367 D HA -0.143 4.497 4.640 0.000 0.000 0.202 367 D C 2.051 178.321 176.300 -0.049 0.000 0.974 367 D CA 1.628 55.588 54.000 -0.067 0.000 0.841 367 D CB 0.098 40.874 40.800 -0.039 0.000 0.953 367 D HN 0.393 nan 8.370 nan 0.000 0.478 368 T N 0.425 114.940 114.554 -0.064 0.000 2.708 368 T HA -0.090 4.261 4.350 0.000 0.000 0.266 368 T C 2.250 176.952 174.700 0.002 0.000 1.037 368 T CA 0.736 62.818 62.100 -0.030 0.000 1.146 368 T CB -0.220 68.621 68.868 -0.045 0.000 0.865 368 T HN -0.025 nan 8.240 nan 0.000 0.435 369 V N 2.333 122.225 119.914 -0.036 0.000 2.358 369 V HA -0.069 4.051 4.120 0.000 0.000 0.246 369 V C 2.445 178.582 176.094 0.072 0.000 1.047 369 V CA 1.016 63.329 62.300 0.022 0.000 1.035 369 V CB -0.726 31.078 31.823 -0.031 0.000 0.658 369 V HN 0.406 nan 8.190 nan 0.000 0.452 370 L N 1.146 122.379 121.223 0.016 0.000 1.989 370 L HA -0.182 4.158 4.340 0.000 0.000 0.211 370 L C 2.523 179.432 176.870 0.064 0.000 1.071 370 L CA 2.907 57.767 54.840 0.033 0.000 0.749 370 L CB -1.275 40.782 42.059 -0.003 0.000 0.890 370 L HN 0.330 nan 8.230 nan 0.000 0.431 371 A N -0.914 121.937 122.820 0.053 0.000 1.940 371 A HA -0.314 4.006 4.320 0.000 0.000 0.219 371 A C 2.138 179.773 177.584 0.085 0.000 1.176 371 A CA 1.863 53.934 52.037 0.057 0.000 0.631 371 A CB -0.985 18.037 19.000 0.038 0.000 0.814 371 A HN 0.781 nan 8.150 nan 0.000 0.446 372 H N 0.092 119.180 119.070 0.030 0.000 2.326 372 H HA -0.100 4.456 4.556 0.000 0.000 0.301 372 H C 1.529 176.904 175.328 0.078 0.000 1.081 372 H CA 1.939 58.010 56.048 0.037 0.000 1.334 372 H CB -0.115 29.658 29.762 0.019 0.000 1.385 372 H HN 0.381 nan 8.280 nan 0.000 0.504 373 D N -0.028 120.407 120.400 0.059 0.000 2.117 373 D HA -0.143 4.497 4.640 0.000 0.000 0.197 373 D C 1.965 178.392 176.300 0.212 0.000 0.987 373 D CA 0.983 55.036 54.000 0.088 0.000 0.829 373 D CB -0.136 40.759 40.800 0.157 0.000 0.961 373 D HN 0.396 nan 8.370 nan 0.000 0.460 374 M N 0.094 119.836 119.600 0.237 0.000 2.460 374 M HA 0.023 4.503 4.480 0.000 0.000 0.263 374 M C 1.730 178.247 176.300 0.361 0.000 1.071 374 M CA 0.451 56.004 55.300 0.421 0.000 1.096 374 M CB -0.720 32.019 32.600 0.232 0.000 1.408 374 M HN -0.065 nan 8.290 nan 0.000 0.463 375 A N -0.448 122.420 122.820 0.080 0.000 2.308 375 A HA 0.173 4.493 4.320 0.000 0.000 0.217 375 A C 1.471 178.943 177.584 -0.187 0.000 1.216 375 A CA 0.889 52.890 52.037 -0.061 0.000 0.864 375 A CB -0.502 18.459 19.000 -0.065 0.000 0.902 375 A HN 0.492 nan 8.150 nan 0.000 0.499 376 T N -4.121 110.323 114.554 -0.182 0.000 3.262 376 T HA 0.177 4.527 4.350 0.000 0.000 0.300 376 T C 0.915 175.544 174.700 -0.119 0.000 0.959 376 T CA 0.333 62.305 62.100 -0.215 0.000 0.936 376 T CB -1.069 67.621 68.868 -0.296 0.000 1.169 376 T HN 0.415 nan 8.240 nan 0.000 0.532 377 F N 1.097 121.058 119.950 0.019 0.000 2.367 377 F HA 0.362 4.889 4.527 0.000 0.000 0.298 377 F C 0.451 176.246 175.800 -0.008 0.000 1.094 377 F CA -0.722 57.289 58.000 0.019 0.000 1.409 377 F CB -0.686 38.376 39.000 0.104 0.000 1.064 377 F HN 0.032 nan 8.300 nan 0.000 0.528 378 D N 0.898 120.870 120.400 -0.713 0.000 2.434 378 D HA 0.353 4.993 4.640 0.000 0.000 0.252 378 D C 1.242 177.441 176.300 -0.168 0.000 1.185 378 D CA 1.371 55.129 54.000 -0.404 0.000 0.886 378 D CB 0.717 41.198 40.800 -0.531 0.000 1.148 378 D HN 0.584 nan 8.370 nan 0.000 0.483 379 G N 2.932 111.685 108.800 -0.079 0.000 2.238 379 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 379 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 379 G C 0.968 175.857 174.900 -0.018 0.000 0.996 379 G CA 0.197 45.265 45.100 -0.054 0.000 0.632 379 G HN 0.476 nan 8.290 nan 0.000 0.503 380 L N 1.079 122.299 121.223 -0.005 0.000 2.240 380 L HA 0.305 4.645 4.340 0.000 0.000 0.211 380 L C 1.625 178.493 176.870 -0.004 0.000 1.106 380 L CA 1.836 56.679 54.840 0.005 0.000 0.793 380 L CB -1.039 41.032 42.059 0.019 0.000 0.927 380 L HN 0.585 nan 8.230 nan 0.000 0.446 381 N N -0.548 118.142 118.700 -0.016 0.000 2.708 381 N HA -0.297 4.444 4.740 0.000 0.000 0.251 381 N C 0.810 176.263 175.510 -0.095 0.000 1.123 381 N CA 0.678 53.705 53.050 -0.039 0.000 0.739 381 N CB -0.783 37.712 38.487 0.014 0.000 1.113 381 N HN 0.683 nan 8.380 nan 0.000 0.561 382 E N 0.102 120.221 120.200 -0.134 0.000 2.472 382 E HA -0.112 4.239 4.350 0.000 0.000 0.200 382 E C 1.328 177.640 176.600 -0.481 0.000 1.046 382 E CA 0.815 57.078 56.400 -0.229 0.000 0.871 382 E CB -0.011 29.581 29.700 -0.181 0.000 0.806 382 E HN 0.591 nan 8.360 nan 0.000 0.533 383 M N 1.242 120.587 119.600 -0.425 0.000 2.346 383 M HA 0.126 4.606 4.480 0.000 0.000 0.280 383 M C 0.430 176.610 176.300 -0.199 0.000 1.075 383 M CA -0.340 54.674 55.300 -0.477 0.000 0.989 383 M CB 1.131 33.502 32.600 -0.382 0.000 1.447 383 M HN -0.059 nan 8.290 nan 0.000 0.511 384 S N 1.998 117.600 115.700 -0.164 0.000 2.552 384 S HA 0.069 4.539 4.470 0.000 0.000 0.289 384 S C -1.310 173.201 174.600 -0.149 0.000 1.304 384 S CA -1.062 57.066 58.200 -0.120 0.000 1.063 384 S CB 0.588 63.737 63.200 -0.086 0.000 0.848 384 S HN 0.234 nan 8.310 nan 0.000 0.499 385 P HA -0.037 nan 4.420 nan 0.000 0.223 385 P C 1.434 178.587 177.300 -0.244 0.000 1.151 385 P CA 0.607 63.526 63.100 -0.301 0.000 0.787 385 P CB -0.137 31.401 31.700 -0.269 0.000 0.788 386 V N 0.480 120.290 119.914 -0.173 0.000 2.568 386 V HA -0.225 3.895 4.120 0.000 0.000 0.253 386 V C 2.716 178.726 176.094 -0.140 0.000 1.072 386 V CA 1.399 63.593 62.300 -0.176 0.000 1.084 386 V CB -1.390 30.329 31.823 -0.174 0.000 0.676 386 V HN 0.034 nan 8.190 nan 0.000 0.469 387 L N 0.944 122.104 121.223 -0.104 0.000 2.081 387 L HA -0.202 4.138 4.340 0.000 0.000 0.212 387 L C 2.496 179.368 176.870 0.003 0.000 1.080 387 L CA 2.076 56.920 54.840 0.006 0.000 0.754 387 L CB -0.506 41.594 42.059 0.068 0.000 0.893 387 L HN 0.614 nan 8.230 nan 0.000 0.433 388 S N -2.888 112.625 115.700 -0.312 0.000 2.514 388 S HA -0.055 4.415 4.470 0.000 0.000 0.223 388 S C 1.862 176.300 174.600 -0.269 0.000 1.046 388 S CA 0.366 58.249 58.200 -0.529 0.000 0.914 388 S CB -0.347 62.125 63.200 -1.214 0.000 0.807 388 S HN 0.445 nan 8.310 nan 0.000 0.497 389 T N 1.858 116.220 114.554 -0.320 0.000 3.072 389 T HA 0.066 4.417 4.350 0.000 0.000 0.266 389 T C 1.669 176.232 174.700 -0.229 0.000 1.127 389 T CA 0.895 62.742 62.100 -0.420 0.000 1.107 389 T CB -0.893 67.579 68.868 -0.660 0.000 0.910 389 T HN 0.493 nan 8.240 nan 0.000 0.513 390 L N -0.634 120.528 121.223 -0.101 0.000 2.456 390 L HA 0.512 4.852 4.340 0.000 0.000 0.224 390 L C 2.022 178.939 176.870 0.078 0.000 1.148 390 L CA 1.111 55.966 54.840 0.025 0.000 0.825 390 L CB -0.732 41.395 42.059 0.114 0.000 0.937 390 L HN 0.236 nan 8.230 nan 0.000 0.450 391 A N -0.716 122.126 122.820 0.037 0.000 2.538 391 A HA 0.619 4.939 4.320 0.000 0.000 0.269 391 A C 1.627 179.145 177.584 -0.109 0.000 1.231 391 A CA 0.232 52.308 52.037 0.064 0.000 0.948 391 A CB -0.414 18.716 19.000 0.216 0.000 1.110 391 A HN 0.730 nan 8.150 nan 0.000 0.529 392 G N -0.364 108.336 108.800 -0.168 0.000 2.184 392 G HA2 -0.238 3.723 3.960 0.000 0.000 0.264 392 G HA3 -0.238 3.723 3.960 0.000 0.000 0.264 392 G C 0.081 174.788 174.900 -0.320 0.000 0.975 392 G CA 0.460 45.423 45.100 -0.229 0.000 0.642 392 G HN 0.687 nan 8.290 nan 0.000 0.536 393 H N -1.106 117.890 119.070 -0.124 0.000 2.467 393 H HA 0.405 4.961 4.556 0.000 0.000 0.331 393 H C -0.278 174.960 175.328 -0.149 0.000 1.120 393 H CA -0.332 55.666 56.048 -0.085 0.000 1.270 393 H CB 1.259 30.954 29.762 -0.112 0.000 1.466 393 H HN 0.364 nan 8.280 nan 0.000 0.504 394 W N 3.712 124.977 121.300 -0.059 0.000 2.469 394 W HA 0.271 4.931 4.660 0.000 0.000 0.320 394 W C -0.888 175.560 176.519 -0.120 0.000 1.086 394 W CA -0.671 56.619 57.345 -0.092 0.000 1.211 394 W CB 1.621 31.152 29.460 0.119 0.000 1.298 394 W HN 0.565 nan 8.180 nan 0.000 0.525 395 T N 2.227 116.182 114.554 -0.998 0.000 2.876 395 T HA 0.518 4.868 4.350 0.000 0.000 0.289 395 T C -0.726 173.225 174.700 -1.249 0.000 1.014 395 T CA -0.599 60.964 62.100 -0.896 0.000 0.986 395 T CB 2.191 70.648 68.868 -0.685 0.000 1.021 395 T HN 0.379 nan 8.240 nan 0.000 0.458 396 T N 0.847 114.870 114.554 -0.884 0.000 2.909 396 T HA 0.464 4.814 4.350 0.000 0.000 0.299 396 T C -1.710 172.567 174.700 -0.704 0.000 1.073 396 T CA -0.735 60.952 62.100 -0.688 0.000 0.999 396 T CB 1.030 69.811 68.868 -0.145 0.000 1.098 396 T HN 0.748 nan 8.240 nan 0.000 0.477 397 H N 4.047 123.121 119.070 0.007 0.000 2.786 397 H HA 0.263 4.819 4.556 0.000 0.000 0.284 397 H C -2.153 173.226 175.328 0.085 0.000 1.104 397 H CA -1.831 54.274 56.048 0.095 0.000 1.339 397 H CB 1.520 31.414 29.762 0.220 0.000 1.427 397 H HN 0.413 nan 8.280 nan 0.000 0.497 398 P HA -0.219 nan 4.420 nan 0.000 0.216 398 P C 1.060 178.311 177.300 -0.082 0.000 1.154 398 P CA 1.469 64.487 63.100 -0.137 0.000 0.865 398 P CB 0.073 31.584 31.700 -0.315 0.000 0.789 399 Y N -3.560 116.834 120.300 0.156 0.000 2.403 399 Y HA -0.100 4.450 4.550 0.000 0.000 0.291 399 Y C 1.493 177.449 175.900 0.094 0.000 1.143 399 Y CA 0.592 58.761 58.100 0.114 0.000 1.257 399 Y CB -1.028 37.507 38.460 0.125 0.000 0.984 399 Y HN 0.056 nan 8.280 nan 0.000 0.550 400 W N 0.933 122.319 121.300 0.143 0.000 3.194 400 W HA 0.154 4.815 4.660 0.000 0.000 0.408 400 W C 0.525 177.139 176.519 0.158 0.000 1.072 400 W CA -0.926 56.479 57.345 0.099 0.000 1.953 400 W CB -0.176 29.318 29.460 0.056 0.000 1.091 400 W HN -0.136 nan 8.180 nan 0.000 0.699 401 D N 0.639 121.144 120.400 0.175 0.000 2.399 401 D HA -0.036 4.604 4.640 0.000 0.000 0.241 401 D C 1.555 177.801 176.300 -0.090 0.000 1.133 401 D CA 0.191 54.251 54.000 0.100 0.000 0.890 401 D CB 1.078 41.874 40.800 -0.006 0.000 1.201 401 D HN 0.049 nan 8.370 nan 0.000 0.432 402 R N 1.880 122.135 120.500 -0.408 0.000 2.096 402 R HA -0.140 4.200 4.340 0.000 0.000 0.235 402 R C 1.531 177.655 176.300 -0.294 0.000 1.127 402 R CA 1.224 56.832 56.100 -0.819 0.000 0.968 402 R CB 0.178 29.834 30.300 -1.073 0.000 0.861 402 R HN 0.512 nan 8.270 nan 0.000 0.440 403 E N -0.069 120.039 120.200 -0.154 0.000 2.072 403 E HA -0.105 4.246 4.350 0.000 0.000 0.190 403 E C 2.124 178.699 176.600 -0.042 0.000 0.982 403 E CA 0.970 57.335 56.400 -0.059 0.000 0.803 403 E CB -0.259 29.422 29.700 -0.033 0.000 0.755 403 E HN 0.180 nan 8.360 nan 0.000 0.453 404 V N 1.679 121.561 119.914 -0.053 0.000 2.295 404 V HA -0.227 3.894 4.120 0.000 0.000 0.246 404 V C 2.490 178.553 176.094 -0.052 0.000 1.049 404 V CA 1.297 63.579 62.300 -0.030 0.000 1.024 404 V CB -0.551 31.264 31.823 -0.013 0.000 0.648 404 V HN 0.134 nan 8.190 nan 0.000 0.447 405 L N 0.410 121.562 121.223 -0.117 0.000 1.989 405 L HA -0.212 4.129 4.340 0.000 0.000 0.211 405 L C 2.185 179.027 176.870 -0.047 0.000 1.071 405 L CA 2.131 56.856 54.840 -0.192 0.000 0.749 405 L CB -1.008 40.853 42.059 -0.330 0.000 0.890 405 L HN 0.318 nan 8.230 nan 0.000 0.431 406 D N -1.010 119.420 120.400 0.049 0.000 2.149 406 D HA -0.204 4.437 4.640 0.000 0.000 0.198 406 D C 2.138 178.459 176.300 0.035 0.000 0.990 406 D CA 1.390 55.454 54.000 0.106 0.000 0.839 406 D CB -0.145 40.738 40.800 0.138 0.000 0.948 406 D HN 0.274 nan 8.370 nan 0.000 0.460 407 L N 0.496 121.727 121.223 0.013 0.000 2.023 407 L HA -0.061 4.279 4.340 0.000 0.000 0.205 407 L C 2.234 179.105 176.870 0.001 0.000 1.073 407 L CA 1.349 56.194 54.840 0.009 0.000 0.745 407 L CB -0.669 41.395 42.059 0.008 0.000 0.900 407 L HN 0.001 nan 8.230 nan 0.000 0.435 408 L N -1.500 119.714 121.223 -0.013 0.000 2.012 408 L HA -0.220 4.120 4.340 0.000 0.000 0.210 408 L C 2.469 179.323 176.870 -0.026 0.000 1.073 408 L CA 1.183 56.010 54.840 -0.021 0.000 0.748 408 L CB -0.821 41.212 42.059 -0.043 0.000 0.891 408 L HN 0.129 nan 8.230 nan 0.000 0.431 409 V N 0.110 120.002 119.914 -0.038 0.000 2.332 409 V HA -0.295 3.825 4.120 0.000 0.000 0.248 409 V C 2.742 178.827 176.094 -0.015 0.000 1.055 409 V CA 2.121 64.403 62.300 -0.031 0.000 1.038 409 V CB -0.626 31.180 31.823 -0.028 0.000 0.651 409 V HN 0.666 nan 8.190 nan 0.000 0.450 410 S N -0.488 115.208 115.700 -0.007 0.000 2.423 410 S HA -0.005 4.465 4.470 0.000 0.000 0.231 410 S C 0.884 175.486 174.600 0.003 0.000 1.014 410 S CA 0.375 58.573 58.200 -0.003 0.000 0.965 410 S CB -0.746 62.456 63.200 0.002 0.000 0.785 410 S HN 0.464 nan 8.310 nan 0.000 0.495 411 L N 2.826 124.054 121.223 0.009 0.000 2.490 411 L HA 0.161 4.501 4.340 0.000 0.000 0.274 411 L C 0.597 177.477 176.870 0.018 0.000 1.201 411 L CA -0.402 54.450 54.840 0.021 0.000 0.869 411 L CB 0.055 42.133 42.059 0.033 0.000 1.123 411 L HN 0.455 nan 8.230 nan 0.000 0.484 412 E N 2.090 122.302 120.200 0.020 0.000 2.392 412 E HA 0.141 4.491 4.350 0.000 0.000 0.264 412 E C 0.868 177.478 176.600 0.017 0.000 1.024 412 E CA 0.205 56.612 56.400 0.013 0.000 0.903 412 E CB 0.946 30.651 29.700 0.009 0.000 0.963 412 E HN 0.599 nan 8.360 nan 0.000 0.432 413 A N 3.716 126.541 122.820 0.008 0.000 2.042 413 A HA -0.208 4.113 4.320 0.000 0.000 0.222 413 A C 2.090 179.684 177.584 0.016 0.000 1.167 413 A CA 1.940 53.985 52.037 0.012 0.000 0.649 413 A CB -1.358 17.644 19.000 0.002 0.000 0.809 413 A HN 0.835 nan 8.150 nan 0.000 0.457 414 G N -0.928 107.870 108.800 -0.002 0.000 2.509 414 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 414 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 414 G C 1.371 176.252 174.900 -0.032 0.000 1.124 414 G CA 0.859 45.937 45.100 -0.036 0.000 0.776 414 G HN 0.478 nan 8.290 nan 0.000 0.547 415 L N -0.815 120.435 121.223 0.045 0.000 2.416 415 L HA 0.174 4.514 4.340 0.000 0.000 0.216 415 L C 2.660 179.668 176.870 0.229 0.000 1.098 415 L CA 0.427 55.362 54.840 0.158 0.000 0.840 415 L CB 0.063 42.223 42.059 0.169 0.000 0.981 415 L HN 0.159 nan 8.230 nan 0.000 0.462 416 K N -0.053 120.425 120.400 0.131 0.000 2.137 416 K HA 0.001 4.321 4.320 0.000 0.000 0.202 416 K C 0.896 177.583 176.600 0.145 0.000 1.052 416 K CA 0.465 56.829 56.287 0.127 0.000 0.961 416 K CB 0.289 32.832 32.500 0.071 0.000 0.741 416 K HN 0.007 nan 8.250 nan 0.000 0.452 417 R N 1.209 121.768 120.500 0.099 0.000 2.435 417 R HA 0.291 4.631 4.340 0.000 0.000 0.308 417 R C -1.316 174.959 176.300 -0.041 0.000 0.975 417 R CA -0.463 55.680 56.100 0.071 0.000 0.867 417 R CB 1.065 31.418 30.300 0.089 0.000 1.171 417 R HN -0.033 nan 8.270 nan 0.000 0.470 418 R N 1.814 122.257 120.500 -0.095 0.000 2.692 418 R HA 0.209 4.550 4.340 0.000 0.000 0.269 418 R C -0.783 175.308 176.300 -0.350 0.000 1.030 418 R CA -0.559 55.289 56.100 -0.420 0.000 0.882 418 R CB 0.908 30.690 30.300 -0.864 0.000 1.250 418 R HN 0.829 nan 8.270 nan 0.000 0.465 419 H N 0.855 119.792 119.070 -0.221 0.000 2.822 419 H HA -0.180 4.376 4.556 0.000 0.000 0.295 419 H C 0.681 175.983 175.328 -0.043 0.000 1.151 419 H CA 1.591 57.557 56.048 -0.137 0.000 1.151 419 H CB -1.485 28.185 29.762 -0.153 0.000 1.343 419 H HN 1.060 nan 8.280 nan 0.000 0.382 420 G N 0.006 108.821 108.800 0.024 0.000 2.198 420 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 420 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 420 G C 0.180 175.117 174.900 0.062 0.000 1.025 420 G CA 0.629 45.745 45.100 0.027 0.000 0.769 420 G HN 0.651 nan 8.290 nan 0.000 0.507 421 R N 0.342 120.903 120.500 0.101 0.000 2.686 421 R HA 0.426 4.766 4.340 0.000 0.000 0.283 421 R C -0.386 175.998 176.300 0.140 0.000 0.978 421 R CA -0.710 55.475 56.100 0.141 0.000 0.897 421 R CB 1.536 31.983 30.300 0.245 0.000 1.192 421 R HN 0.397 nan 8.270 nan 0.000 0.457 422 D N 2.849 123.309 120.400 0.101 0.000 2.339 422 D HA 0.009 4.649 4.640 0.000 0.000 0.245 422 D C -0.335 176.024 176.300 0.099 0.000 1.115 422 D CA -0.480 53.573 54.000 0.088 0.000 0.917 422 D CB 0.908 41.740 40.800 0.053 0.000 1.192 422 D HN 0.542 nan 8.370 nan 0.000 0.428 423 K N -0.204 120.247 120.400 0.086 0.000 3.356 423 K HA -0.258 4.062 4.320 0.000 0.000 0.270 423 K C 0.317 176.964 176.600 0.079 0.000 0.901 423 K CA 0.572 56.892 56.287 0.056 0.000 0.688 423 K CB -2.406 30.076 32.500 -0.029 0.000 1.460 423 K HN 0.707 nan 8.250 nan 0.000 0.458 424 W N 1.413 122.718 121.300 0.009 0.000 2.338 424 W HA -0.247 4.413 4.660 0.000 0.000 0.304 424 W C 2.048 178.587 176.519 0.033 0.000 1.212 424 W CA 1.968 59.332 57.345 0.032 0.000 1.264 424 W CB -0.322 29.164 29.460 0.043 0.000 1.142 424 W HN 0.263 nan 8.180 nan 0.000 0.512 425 V N 1.297 121.227 119.914 0.028 0.000 2.469 425 V HA -0.260 3.860 4.120 0.000 0.000 0.251 425 V C 2.094 178.024 176.094 -0.273 0.000 1.064 425 V CA 2.221 64.413 62.300 -0.180 0.000 1.066 425 V CB -0.662 31.201 31.823 0.067 0.000 0.667 425 V HN 0.296 nan 8.190 nan 0.000 0.461 426 L N 0.192 121.308 121.223 -0.177 0.000 2.131 426 L HA 0.024 4.364 4.340 0.000 0.000 0.206 426 L C 2.543 179.306 176.870 -0.179 0.000 1.087 426 L CA 1.699 56.461 54.840 -0.129 0.000 0.767 426 L CB -0.746 41.261 42.059 -0.086 0.000 0.917 426 L HN 0.227 nan 8.230 nan 0.000 0.441 427 R N -0.368 119.981 120.500 -0.251 0.000 2.075 427 R HA -0.054 4.286 4.340 0.000 0.000 0.232 427 R C 2.260 178.355 176.300 -0.341 0.000 1.126 427 R CA 1.268 57.223 56.100 -0.243 0.000 0.963 427 R CB -0.702 29.471 30.300 -0.211 0.000 0.858 427 R HN 0.481 nan 8.270 nan 0.000 0.435 428 A N 1.465 123.900 122.820 -0.641 0.000 1.902 428 A HA -0.092 4.228 4.320 0.000 0.000 0.217 428 A C 2.402 179.789 177.584 -0.327 0.000 1.181 428 A CA 1.612 53.273 52.037 -0.627 0.000 0.623 428 A CB -0.663 17.593 19.000 -1.240 0.000 0.818 428 A HN 0.388 nan 8.150 nan 0.000 0.443 429 A N -1.190 121.464 122.820 -0.277 0.000 1.978 429 A HA -0.091 4.229 4.320 0.000 0.000 0.220 429 A C 1.860 179.392 177.584 -0.087 0.000 1.170 429 A CA 1.931 53.885 52.037 -0.138 0.000 0.636 429 A CB -0.345 18.600 19.000 -0.092 0.000 0.810 429 A HN 0.425 nan 8.150 nan 0.000 0.448 430 M N -1.045 118.501 119.600 -0.091 0.000 2.371 430 M HA 0.306 4.786 4.480 0.000 0.000 0.246 430 M C 1.936 178.202 176.300 -0.056 0.000 1.103 430 M CA 0.389 55.660 55.300 -0.049 0.000 1.010 430 M CB -1.082 31.504 32.600 -0.024 0.000 1.457 430 M HN 0.407 nan 8.290 nan 0.000 0.486 431 A N 1.548 124.318 122.820 -0.084 0.000 2.084 431 A HA -0.169 4.152 4.320 0.000 0.000 0.221 431 A C 1.467 179.027 177.584 -0.039 0.000 1.161 431 A CA 2.063 54.058 52.037 -0.071 0.000 0.653 431 A CB -0.671 18.281 19.000 -0.081 0.000 0.802 431 A HN 0.581 nan 8.150 nan 0.000 0.457 432 D N -1.972 118.417 120.400 -0.020 0.000 2.363 432 D HA 0.420 5.060 4.640 0.000 0.000 0.214 432 D C 0.823 177.147 176.300 0.039 0.000 1.093 432 D CA 0.718 54.723 54.000 0.008 0.000 0.837 432 D CB 0.016 40.822 40.800 0.010 0.000 0.948 432 D HN 0.286 nan 8.370 nan 0.000 0.507 433 A N -0.099 122.744 122.820 0.037 0.000 2.456 433 A HA 0.469 4.789 4.320 0.000 0.000 0.237 433 A C 0.350 178.011 177.584 0.129 0.000 1.217 433 A CA -0.109 51.984 52.037 0.093 0.000 0.962 433 A CB 0.412 19.449 19.000 0.061 0.000 1.079 433 A HN 0.191 nan 8.150 nan 0.000 0.536 434 L N 0.180 121.379 121.223 -0.039 0.000 2.409 434 L HA 0.458 4.798 4.340 0.000 0.000 0.255 434 L C -2.600 174.017 176.870 -0.422 0.000 1.027 434 L CA -2.448 52.222 54.840 -0.284 0.000 0.834 434 L CB 2.435 44.413 42.059 -0.135 0.000 1.426 434 L HN -0.062 nan 8.230 nan 0.000 0.411 435 P HA 0.066 nan 4.420 nan 0.000 0.272 435 P C 0.117 177.315 177.300 -0.171 0.000 1.223 435 P CA -0.225 62.670 63.100 -0.341 0.000 0.784 435 P CB 1.183 32.703 31.700 -0.299 0.000 0.923 436 A N 2.191 124.947 122.820 -0.107 0.000 1.948 436 A HA -0.241 4.079 4.320 0.000 0.000 0.220 436 A C 2.212 179.765 177.584 -0.052 0.000 1.177 436 A CA 2.074 54.072 52.037 -0.064 0.000 0.636 436 A CB -1.353 17.623 19.000 -0.039 0.000 0.815 436 A HN 0.724 nan 8.150 nan 0.000 0.449 437 E N -0.921 119.246 120.200 -0.055 0.000 2.153 437 E HA -0.160 4.191 4.350 0.000 0.000 0.194 437 E C 1.784 178.361 176.600 -0.039 0.000 0.988 437 E CA 1.615 57.992 56.400 -0.038 0.000 0.811 437 E CB -0.094 29.585 29.700 -0.035 0.000 0.746 437 E HN 0.598 nan 8.360 nan 0.000 0.466 438 T N 0.338 114.856 114.554 -0.060 0.000 2.852 438 T HA -0.090 4.260 4.350 0.000 0.000 0.256 438 T C 1.949 176.625 174.700 -0.041 0.000 1.038 438 T CA 1.281 63.350 62.100 -0.051 0.000 1.141 438 T CB -0.148 68.676 68.868 -0.074 0.000 0.869 438 T HN 0.296 nan 8.240 nan 0.000 0.439 439 V N 0.452 120.334 119.914 -0.055 0.000 2.867 439 V HA 0.057 4.177 4.120 0.000 0.000 0.260 439 V C 0.419 176.497 176.094 -0.027 0.000 1.099 439 V CA 1.154 63.424 62.300 -0.050 0.000 1.122 439 V CB -1.005 30.778 31.823 -0.067 0.000 0.708 439 V HN 0.411 nan 8.190 nan 0.000 0.490 440 N N 0.942 119.634 118.700 -0.014 0.000 2.813 440 N HA 0.464 5.204 4.740 0.000 0.000 0.282 440 N C -0.379 175.136 175.510 0.008 0.000 1.748 440 N CA -0.279 52.777 53.050 0.010 0.000 0.860 440 N CB 0.802 39.299 38.487 0.016 0.000 1.204 440 N HN 0.453 nan 8.380 nan 0.000 0.490 453 T N 3.848 118.416 114.554 0.023 0.000 2.799 453 T HA 0.388 4.739 4.350 0.000 0.000 0.296 453 T C 1.149 175.871 174.700 0.038 0.000 0.947 453 T CA -0.107 62.010 62.100 0.028 0.000 1.141 453 T CB 0.431 69.313 68.868 0.023 0.000 0.891 453 T HN 0.713 nan 8.240 nan 0.000 0.533 454 S N 3.185 118.917 115.700 0.053 0.000 2.580 454 S HA 0.064 4.534 4.470 0.000 0.000 0.266 454 S C 1.637 176.289 174.600 0.087 0.000 1.354 454 S CA -0.783 57.460 58.200 0.072 0.000 1.008 454 S CB 0.548 63.811 63.200 0.105 0.000 0.898 454 S HN 0.592 nan 8.310 nan 0.000 0.555 455 S N 0.403 116.159 115.700 0.092 0.000 2.382 455 S HA -0.074 4.397 4.470 0.000 0.000 0.228 455 S C 1.283 175.996 174.600 0.189 0.000 1.027 455 S CA 0.954 59.213 58.200 0.099 0.000 0.991 455 S CB -0.609 62.627 63.200 0.059 0.000 0.823 455 S HN 0.663 nan 8.310 nan 0.000 0.469 456 F N 2.721 122.676 119.950 0.010 0.000 2.146 456 F HA -0.025 4.502 4.527 0.000 0.000 0.298 456 F C 2.452 178.260 175.800 0.014 0.000 1.096 456 F CA 0.751 58.757 58.000 0.010 0.000 1.275 456 F CB -1.105 37.895 39.000 -0.000 0.000 1.008 456 F HN 0.101 nan 8.300 nan 0.000 0.480 457 S N 0.116 115.858 115.700 0.070 0.000 2.368 457 S HA -0.191 4.279 4.470 0.000 0.000 0.224 457 S C 2.043 176.652 174.600 0.014 0.000 1.029 457 S CA 1.256 59.427 58.200 -0.047 0.000 0.988 457 S CB -0.284 62.905 63.200 -0.019 0.000 0.838 457 S HN 0.269 nan 8.310 nan 0.000 0.462 458 R N 1.417 121.953 120.500 0.059 0.000 2.083 458 R HA -0.063 4.278 4.340 0.000 0.000 0.237 458 R C 2.157 178.506 176.300 0.083 0.000 1.137 458 R CA 1.201 57.336 56.100 0.058 0.000 0.951 458 R CB -0.992 29.342 30.300 0.056 0.000 0.851 458 R HN 0.361 nan 8.270 nan 0.000 0.434 459 L N -0.096 121.208 121.223 0.135 0.000 2.013 459 L HA -0.178 4.163 4.340 0.000 0.000 0.212 459 L C 1.764 178.775 176.870 0.235 0.000 1.073 459 L CA 1.853 56.810 54.840 0.195 0.000 0.753 459 L CB -0.579 41.644 42.059 0.272 0.000 0.890 459 L HN 0.262 nan 8.230 nan 0.000 0.432 460 L N -1.047 120.257 121.223 0.135 0.000 2.109 460 L HA -0.119 4.221 4.340 0.000 0.000 0.207 460 L C 2.552 179.480 176.870 0.096 0.000 1.086 460 L CA 1.424 56.317 54.840 0.089 0.000 0.760 460 L CB -1.168 40.856 42.059 -0.058 0.000 0.910 460 L HN 0.362 nan 8.230 nan 0.000 0.437 461 L N -0.483 120.773 121.223 0.055 0.000 2.141 461 L HA -0.195 4.145 4.340 0.000 0.000 0.209 461 L C 1.811 178.708 176.870 0.045 0.000 1.094 461 L CA 0.856 55.720 54.840 0.039 0.000 0.763 461 L CB -0.405 41.667 42.059 0.021 0.000 0.908 461 L HN 0.212 nan 8.230 nan 0.000 0.437 462 D N -1.613 118.816 120.400 0.049 0.000 2.363 462 D HA -0.100 4.541 4.640 0.000 0.000 0.220 462 D C 1.734 177.999 176.300 -0.059 0.000 0.994 462 D CA 0.837 54.833 54.000 -0.008 0.000 0.890 462 D CB 0.007 40.790 40.800 -0.029 0.000 0.906 462 D HN 0.340 nan 8.370 nan 0.000 0.530 463 H N -0.659 118.418 119.070 0.012 0.000 2.551 463 H HA 0.226 4.782 4.556 0.000 0.000 0.271 463 H C 1.138 176.470 175.328 0.006 0.000 0.984 463 H CA 0.720 56.775 56.048 0.012 0.000 1.164 463 H CB 0.801 30.573 29.762 0.016 0.000 1.437 463 H HN 0.146 nan 8.280 nan 0.000 0.550 464 G N 1.235 110.088 108.800 0.088 0.000 2.137 464 G HA2 -0.257 3.703 3.960 0.000 0.000 0.237 464 G HA3 -0.257 3.703 3.960 0.000 0.000 0.237 464 G C 0.127 175.056 174.900 0.049 0.000 1.002 464 G CA 0.328 45.460 45.100 0.054 0.000 0.702 464 G HN 0.182 nan 8.290 nan 0.000 0.515 465 V N 0.960 120.906 119.914 0.053 0.000 2.498 465 V HA 0.657 4.777 4.120 0.000 0.000 0.279 465 V C 1.209 177.310 176.094 0.013 0.000 1.048 465 V CA -0.188 62.128 62.300 0.026 0.000 0.967 465 V CB 1.303 33.133 31.823 0.012 0.000 0.988 465 V HN 1.196 nan 8.190 nan 0.000 0.473 466 A N 3.220 126.044 122.820 0.007 0.000 2.511 466 A HA 0.162 4.482 4.320 0.000 0.000 0.242 466 A C 1.351 178.935 177.584 0.000 0.000 1.069 466 A CA 0.105 52.144 52.037 0.004 0.000 0.763 466 A CB -0.045 18.956 19.000 0.002 0.000 1.001 466 A HN 1.033 nan 8.150 nan 0.000 0.498 467 E N 1.346 121.547 120.200 0.001 0.000 2.171 467 E HA -0.240 4.111 4.350 0.000 0.000 0.197 467 E C 1.312 177.912 176.600 0.000 0.000 0.997 467 E CA 2.102 58.502 56.400 -0.000 0.000 0.810 467 E CB 0.011 29.711 29.700 0.001 0.000 0.738 467 E HN 0.808 nan 8.360 nan 0.000 0.467 468 D N -0.855 119.545 120.400 -0.001 0.000 2.355 468 D HA -0.108 4.533 4.640 0.000 0.000 0.218 468 D C 1.118 177.419 176.300 0.001 0.000 1.004 468 D CA 0.403 54.402 54.000 -0.002 0.000 0.880 468 D CB -0.040 40.758 40.800 -0.005 0.000 0.911 468 D HN 0.214 nan 8.370 nan 0.000 0.528 469 R N -0.045 120.455 120.500 0.001 0.000 2.535 469 R HA 0.216 4.556 4.340 0.000 0.000 0.323 469 R C 1.821 178.116 176.300 -0.007 0.000 0.979 469 R CA -0.125 55.975 56.100 0.001 0.000 1.120 469 R CB 0.907 31.205 30.300 -0.003 0.000 1.306 469 R HN -0.036 nan 8.270 nan 0.000 0.540 470 V N 0.865 120.771 119.914 -0.013 0.000 2.261 470 V HA -0.322 3.798 4.120 0.000 0.000 0.246 470 V C 2.391 178.432 176.094 -0.087 0.000 1.047 470 V CA 2.053 64.318 62.300 -0.058 0.000 1.015 470 V CB -0.655 31.133 31.823 -0.058 0.000 0.642 470 V HN 0.464 nan 8.190 nan 0.000 0.446 471 H N 0.299 119.302 119.070 -0.111 0.000 2.319 471 H HA -0.225 4.332 4.556 0.000 0.000 0.297 471 H C 2.395 177.663 175.328 -0.099 0.000 1.097 471 H CA 2.396 58.376 56.048 -0.113 0.000 1.285 471 H CB 0.034 29.757 29.762 -0.065 0.000 1.368 471 H HN 0.498 nan 8.280 nan 0.000 0.495 472 E N 0.713 120.997 120.200 0.139 0.000 2.110 472 E HA -0.080 4.270 4.350 0.000 0.000 0.193 472 E C 2.272 178.862 176.600 -0.016 0.000 0.988 472 E CA 1.415 57.865 56.400 0.084 0.000 0.804 472 E CB -0.515 29.217 29.700 0.054 0.000 0.745 472 E HN 0.490 nan 8.360 nan 0.000 0.458 473 A N 0.611 123.396 122.820 -0.059 0.000 1.969 473 A HA -0.169 4.152 4.320 0.000 0.000 0.218 473 A C 2.034 179.538 177.584 -0.133 0.000 1.169 473 A CA 1.583 53.569 52.037 -0.085 0.000 0.635 473 A CB -0.339 18.605 19.000 -0.095 0.000 0.810 473 A HN 0.196 nan 8.150 nan 0.000 0.445 474 K N -0.375 119.869 120.400 -0.260 0.000 2.031 474 K HA -0.151 4.170 4.320 0.000 0.000 0.205 474 K C 2.290 178.833 176.600 -0.094 0.000 1.049 474 K CA 1.476 57.545 56.287 -0.364 0.000 0.939 474 K CB -0.217 31.822 32.500 -0.767 0.000 0.717 474 K HN 0.684 nan 8.250 nan 0.000 0.438 475 R N 1.263 121.692 120.500 -0.119 0.000 2.152 475 R HA -0.140 4.200 4.340 0.000 0.000 0.232 475 R C 1.860 178.165 176.300 0.010 0.000 1.117 475 R CA 1.416 57.498 56.100 -0.029 0.000 0.981 475 R CB -0.301 29.998 30.300 -0.001 0.000 0.870 475 R HN 0.220 nan 8.270 nan 0.000 0.451 476 Q N 0.729 120.531 119.800 0.003 0.000 2.083 476 Q HA -0.036 4.304 4.340 0.000 0.000 0.198 476 Q C 2.273 178.296 176.000 0.039 0.000 0.969 476 Q CA 1.464 57.276 55.803 0.015 0.000 0.838 476 Q CB 0.126 28.865 28.738 0.001 0.000 0.900 476 Q HN 0.208 nan 8.270 nan 0.000 0.436 477 V N 0.316 120.268 119.914 0.062 0.000 2.295 477 V HA -0.236 3.884 4.120 0.000 0.000 0.246 477 V C 2.233 178.398 176.094 0.118 0.000 1.049 477 V CA 1.498 63.862 62.300 0.107 0.000 1.024 477 V CB -0.439 31.514 31.823 0.217 0.000 0.648 477 V HN 0.184 nan 8.190 nan 0.000 0.447 478 V N 0.211 120.214 119.914 0.147 0.000 2.343 478 V HA -0.246 3.874 4.120 0.000 0.000 0.247 478 V C 2.617 178.780 176.094 0.115 0.000 1.051 478 V CA 2.202 64.578 62.300 0.126 0.000 1.036 478 V CB -0.871 31.028 31.823 0.127 0.000 0.654 478 V HN 0.485 nan 8.190 nan 0.000 0.451 479 R N 1.070 121.615 120.500 0.076 0.000 2.083 479 R HA -0.208 4.132 4.340 0.000 0.000 0.237 479 R C 2.228 178.605 176.300 0.128 0.000 1.137 479 R CA 2.314 58.454 56.100 0.067 0.000 0.951 479 R CB -0.815 29.497 30.300 0.019 0.000 0.851 479 R HN 0.652 nan 8.270 nan 0.000 0.434 480 E N -0.230 120.022 120.200 0.088 0.000 2.110 480 E HA -0.151 4.199 4.350 0.000 0.000 0.193 480 E C 1.948 178.593 176.600 0.076 0.000 0.988 480 E CA 1.435 57.878 56.400 0.072 0.000 0.804 480 E CB -0.161 29.563 29.700 0.041 0.000 0.745 480 E HN 0.420 nan 8.360 nan 0.000 0.458 481 L N -0.032 121.240 121.223 0.081 0.000 2.131 481 L HA -0.122 4.218 4.340 0.000 0.000 0.210 481 L C 2.355 179.273 176.870 0.079 0.000 1.092 481 L CA 0.871 55.741 54.840 0.050 0.000 0.759 481 L CB -0.420 41.664 42.059 0.042 0.000 0.903 481 L HN 0.247 nan 8.230 nan 0.000 0.435 482 F N 1.245 121.195 119.950 0.000 0.000 2.128 482 F HA -0.197 4.330 4.527 0.000 0.000 0.295 482 F C 2.222 178.023 175.800 0.002 0.000 1.100 482 F CA 1.553 59.559 58.000 0.009 0.000 1.260 482 F CB -0.141 38.864 39.000 0.008 0.000 1.009 482 F HN 0.082 nan 8.300 nan 0.000 0.476 483 D N 0.623 121.158 120.400 0.224 0.000 2.218 483 D HA -0.159 4.481 4.640 0.000 0.000 0.204 483 D C 2.396 178.680 176.300 -0.027 0.000 0.976 483 D CA 1.273 55.335 54.000 0.103 0.000 0.853 483 D CB -0.290 40.580 40.800 0.117 0.000 0.939 483 D HN 0.363 nan 8.370 nan 0.000 0.481 484 L N 0.512 121.713 121.223 -0.038 0.000 2.049 484 L HA -0.094 4.247 4.340 0.000 0.000 0.203 484 L C 2.713 179.510 176.870 -0.123 0.000 1.074 484 L CA 1.481 56.276 54.840 -0.073 0.000 0.749 484 L CB -0.608 41.408 42.059 -0.071 0.000 0.907 484 L HN 0.122 nan 8.230 nan 0.000 0.439 485 T N -3.266 111.198 114.554 -0.151 0.000 2.781 485 T HA -0.046 4.304 4.350 0.000 0.000 0.252 485 T C 1.757 176.419 174.700 -0.063 0.000 1.039 485 T CA 0.965 62.977 62.100 -0.148 0.000 1.147 485 T CB -0.682 68.097 68.868 -0.149 0.000 0.865 485 T HN 0.018 nan 8.240 nan 0.000 0.423 486 V N 1.710 121.458 119.914 -0.276 0.000 2.407 486 V HA 0.181 4.301 4.120 0.000 0.000 0.245 486 V C 3.024 178.870 176.094 -0.413 0.000 1.041 486 V CA 1.750 63.771 62.300 -0.465 0.000 1.040 486 V CB -1.248 29.913 31.823 -1.103 0.000 0.671 486 V HN 0.696 nan 8.190 nan 0.000 0.455 487 G N -0.438 108.105 108.800 -0.427 0.000 2.603 487 G HA2 0.089 4.050 3.960 0.000 0.000 0.214 487 G HA3 0.089 4.050 3.960 0.000 0.000 0.214 487 G C 1.358 176.197 174.900 -0.102 0.000 1.140 487 G CA 0.731 45.715 45.100 -0.194 0.000 0.800 487 G HN 0.589 nan 8.290 nan 0.000 0.533 488 G N -0.463 108.275 108.800 -0.103 0.000 3.126 488 G HA2 0.384 4.344 3.960 0.000 0.000 0.224 488 G HA3 0.384 4.344 3.960 0.000 0.000 0.224 488 G C 1.159 176.025 174.900 -0.057 0.000 1.142 488 G CA 0.481 45.542 45.100 -0.065 0.000 0.759 488 G HN 1.170 nan 8.290 nan 0.000 0.550 489 G N 0.082 108.850 108.800 -0.053 0.000 2.283 489 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 489 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 489 G C 0.331 175.217 174.900 -0.023 0.000 1.029 489 G CA 0.561 45.653 45.100 -0.013 0.000 0.840 489 G HN 0.732 nan 8.290 nan 0.000 0.505 490 R N -0.237 120.215 120.500 -0.080 0.000 2.474 490 R HA 0.471 4.811 4.340 0.000 0.000 0.295 490 R C 0.243 176.360 176.300 -0.306 0.000 0.980 490 R CA -0.889 55.129 56.100 -0.137 0.000 0.934 490 R CB 0.595 30.811 30.300 -0.140 0.000 1.101 490 R HN 0.333 nan 8.270 nan 0.000 0.469 491 H N 4.564 123.385 119.070 -0.414 0.000 2.629 491 H HA 0.123 4.679 4.556 0.000 0.000 0.357 491 H C -1.858 172.984 175.328 -0.809 0.000 1.121 491 H CA -1.752 53.843 56.048 -0.755 0.000 1.406 491 H CB 1.881 31.343 29.762 -0.499 0.000 1.456 491 H HN 0.451 nan 8.280 nan 0.000 0.579 492 P HA -0.194 nan 4.420 nan 0.000 0.216 492 P C 1.593 178.568 177.300 -0.542 0.000 1.150 492 P CA 2.286 64.746 63.100 -1.066 0.000 0.843 492 P CB 0.119 30.648 31.700 -1.952 0.000 0.787 493 S N 0.321 115.925 115.700 -0.161 0.000 2.419 493 S HA -0.207 4.263 4.470 0.000 0.000 0.235 493 S C 1.470 176.040 174.600 -0.050 0.000 1.019 493 S CA 1.242 59.457 58.200 0.025 0.000 0.982 493 S CB -1.204 62.022 63.200 0.043 0.000 0.789 493 S HN 0.428 nan 8.310 nan 0.000 0.490 494 E N 0.663 120.803 120.200 -0.099 0.000 2.437 494 E HA 0.348 4.698 4.350 0.000 0.000 0.195 494 E C -0.710 175.831 176.600 -0.099 0.000 1.029 494 E CA -0.391 55.955 56.400 -0.090 0.000 0.948 494 E CB 0.290 29.936 29.700 -0.090 0.000 1.082 494 E HN 0.294 nan 8.360 nan 0.000 0.456 495 V N 2.011 121.854 119.914 -0.119 0.000 2.370 495 V HA 0.063 4.183 4.120 0.000 0.000 0.283 495 V C -0.094 175.963 176.094 -0.062 0.000 1.023 495 V CA -0.809 61.426 62.300 -0.108 0.000 0.857 495 V CB 1.432 33.160 31.823 -0.160 0.000 0.985 495 V HN 0.219 nan 8.190 nan 0.000 0.443 496 D N 3.848 124.222 120.400 -0.042 0.000 2.498 496 D HA 0.063 4.703 4.640 0.000 0.000 0.229 496 D C 1.372 177.664 176.300 -0.014 0.000 1.188 496 D CA 0.181 54.169 54.000 -0.020 0.000 1.028 496 D CB 0.983 41.774 40.800 -0.014 0.000 1.087 496 D HN 0.611 nan 8.370 nan 0.000 0.510 497 T N 1.811 116.359 114.554 -0.010 0.000 2.699 497 T HA -0.238 4.112 4.350 0.000 0.000 0.268 497 T C 1.425 176.133 174.700 0.014 0.000 1.036 497 T CA 1.592 63.690 62.100 -0.003 0.000 1.147 497 T CB -0.114 68.755 68.868 0.002 0.000 0.862 497 T HN 0.441 nan 8.240 nan 0.000 0.446 498 D N 0.886 121.304 120.400 0.030 0.000 2.123 498 D HA -0.145 4.496 4.640 0.000 0.000 0.196 498 D C 1.864 178.185 176.300 0.035 0.000 0.992 498 D CA 1.405 55.439 54.000 0.056 0.000 0.833 498 D CB -0.346 40.495 40.800 0.068 0.000 0.954 498 D HN 0.395 nan 8.370 nan 0.000 0.455 499 D N -0.972 119.439 120.400 0.018 0.000 2.117 499 D HA -0.134 4.506 4.640 0.000 0.000 0.197 499 D C 2.047 178.342 176.300 -0.008 0.000 0.987 499 D CA 1.344 55.349 54.000 0.008 0.000 0.829 499 D CB 0.004 40.806 40.800 0.003 0.000 0.961 499 D HN 0.157 nan 8.370 nan 0.000 0.460 500 V N -0.062 119.845 119.914 -0.011 0.000 2.261 500 V HA -0.219 3.901 4.120 0.000 0.000 0.246 500 V C 2.643 178.715 176.094 -0.036 0.000 1.047 500 V CA 1.476 63.767 62.300 -0.015 0.000 1.015 500 V CB -0.507 31.313 31.823 -0.006 0.000 0.642 500 V HN 0.178 nan 8.190 nan 0.000 0.446 501 V N 0.027 119.908 119.914 -0.055 0.000 2.343 501 V HA -0.269 3.851 4.120 0.000 0.000 0.247 501 V C 2.579 178.504 176.094 -0.282 0.000 1.051 501 V CA 2.366 64.581 62.300 -0.142 0.000 1.036 501 V CB -0.849 30.885 31.823 -0.149 0.000 0.654 501 V HN 0.479 nan 8.190 nan 0.000 0.451 502 R N -0.071 120.293 120.500 -0.227 0.000 2.081 502 R HA -0.185 4.156 4.340 0.000 0.000 0.235 502 R C 2.655 178.911 176.300 -0.074 0.000 1.131 502 R CA 1.870 57.881 56.100 -0.148 0.000 0.960 502 R CB -0.447 29.870 30.300 0.029 0.000 0.856 502 R HN 0.508 nan 8.270 nan 0.000 0.436 503 S N -0.229 115.441 115.700 -0.049 0.000 2.353 503 S HA -0.106 4.364 4.470 0.000 0.000 0.222 503 S C 1.969 176.549 174.600 -0.033 0.000 1.035 503 S CA 1.615 59.799 58.200 -0.027 0.000 1.025 503 S CB -0.214 62.977 63.200 -0.017 0.000 0.902 503 S HN 0.243 nan 8.310 nan 0.000 0.440 504 V N 2.262 122.148 119.914 -0.047 0.000 2.407 504 V HA -0.110 4.010 4.120 0.000 0.000 0.248 504 V C 2.869 178.934 176.094 -0.049 0.000 1.055 504 V CA 1.672 63.948 62.300 -0.041 0.000 1.049 504 V CB -1.449 30.351 31.823 -0.039 0.000 0.662 504 V HN 0.622 nan 8.190 nan 0.000 0.455 505 A N 0.165 122.936 122.820 -0.081 0.000 1.877 505 A HA -0.248 4.072 4.320 0.000 0.000 0.216 505 A C 2.003 179.580 177.584 -0.012 0.000 1.186 505 A CA 2.004 54.007 52.037 -0.056 0.000 0.620 505 A CB -0.633 18.315 19.000 -0.086 0.000 0.822 505 A HN 0.535 nan 8.150 nan 0.000 0.443 506 D N -0.282 120.114 120.400 -0.006 0.000 2.178 506 D HA -0.099 4.541 4.640 0.000 0.000 0.201 506 D C 1.450 177.752 176.300 0.003 0.000 0.980 506 D CA 0.806 54.811 54.000 0.008 0.000 0.842 506 D CB -0.329 40.477 40.800 0.011 0.000 0.948 506 D HN 0.413 nan 8.370 nan 0.000 0.472 507 R N 0.571 121.069 120.500 -0.004 0.000 2.404 507 R HA 0.132 4.473 4.340 0.000 0.000 0.236 507 R C 0.131 176.429 176.300 -0.003 0.000 1.044 507 R CA 0.266 56.365 56.100 -0.003 0.000 1.133 507 R CB 0.103 30.401 30.300 -0.004 0.000 1.142 507 R HN 0.063 nan 8.270 nan 0.000 0.512 508 T N 0.000 114.553 114.554 -0.002 0.000 3.816 508 T HA 0.000 4.350 4.350 0.000 0.000 0.228 508 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 508 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658