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 1mc1_1_B DATA FIRST_RESID 3 DATA SEQUENCE APVLPAAFGF LASARTGGGR APGPVFATRG SHTDIDTPQG ERSLAATLVH DATA SEQUENCE APSVAPDRAV ARSLTGAPTT AVLAGEIYNR DELLSVLPAG PAPEGDAELV DATA SEQUENCE LRLLERYDLH AFRLVNGRFA TVVRTGDRVL LATDHAGSVP LYTCVAPGEV DATA SEQUENCE RASTEAKALA AHRDPKGFPL ADARRVAGLT GVYQVPAGAV MDIDLGSGTA DATA SEQUENCE VTHRTWTPGL SRRILPEGEA VAAVRAALEK AVAQRVTPGD TPLVVLSGGI DATA SEQUENCE DSSGVAACAH RAAGELDTVS MGTDTSNEFR EARAVVDHLR TRHREITIPT DATA SEQUENCE TELLAQLPYA VWASESVDPD IIEYLLPLTA LYRALDGPER RILTGYGADI DATA SEQUENCE PLGGMHREDR LPALDTVLAH DMATFDGLNE MSPVLSTLAG HWTTHPYWDR DATA SEQUENCE EVLDLLVSLE AGLKRRHGRD KWVLRAAMAD ALPAETVNRP KLXXXXXXXX DATA SEQUENCE TSSFSRLLLD HGVAEDRVHE AKRQVVRELF DLTVGGGRHP SEVDTDDVVR DATA SEQUENCE SVADRT 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.574 177.584 -0.017 0.000 1.274 3 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 3 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 4 P HA 0.318 nan 4.420 nan 0.000 0.261 4 P C 0.868 178.148 177.300 -0.034 0.000 1.183 4 P CA 0.338 63.411 63.100 -0.044 0.000 0.761 4 P CB 1.089 32.742 31.700 -0.077 0.000 0.785 5 V N 3.193 123.098 119.914 -0.015 0.000 2.591 5 V HA -0.052 4.068 4.120 0.000 0.000 0.249 5 V C 1.091 177.183 176.094 -0.003 0.000 1.053 5 V CA 1.223 63.532 62.300 0.015 0.000 1.068 5 V CB -0.568 31.284 31.823 0.048 0.000 0.689 5 V HN 0.394 nan 8.190 nan 0.000 0.462 6 L N 1.111 122.298 121.223 -0.059 0.000 2.330 6 L HA 0.476 4.817 4.340 0.000 0.000 0.271 6 L C -2.217 174.439 176.870 -0.356 0.000 1.013 6 L CA -2.059 52.684 54.840 -0.162 0.000 0.816 6 L CB 1.223 43.258 42.059 -0.040 0.000 1.287 6 L HN 0.015 nan 8.230 nan 0.000 0.435 7 P HA -0.056 nan 4.420 nan 0.000 0.269 7 P C 0.189 177.196 177.300 -0.489 0.000 1.211 7 P CA -0.101 62.639 63.100 -0.601 0.000 0.781 7 P CB 0.750 31.910 31.700 -0.901 0.000 0.877 8 A N 1.617 124.230 122.820 -0.345 0.000 2.019 8 A HA 0.210 4.530 4.320 0.000 0.000 0.219 8 A C 1.108 178.502 177.584 -0.317 0.000 1.164 8 A CA 1.700 53.563 52.037 -0.290 0.000 0.644 8 A CB -0.635 18.238 19.000 -0.212 0.000 0.805 8 A HN 0.818 nan 8.150 nan 0.000 0.449 9 A N -2.588 120.031 122.820 -0.334 0.000 2.540 9 A HA 0.621 4.941 4.320 0.000 0.000 0.297 9 A C -0.135 177.300 177.584 -0.248 0.000 1.056 9 A CA -0.607 51.276 52.037 -0.258 0.000 0.700 9 A CB 0.181 19.144 19.000 -0.062 0.000 1.280 9 A HN 0.091 nan 8.150 nan 0.000 0.398 10 F N 1.561 121.479 119.950 -0.054 0.000 2.270 10 F HA 0.398 4.925 4.527 0.000 0.000 0.295 10 F C 1.679 177.422 175.800 -0.096 0.000 1.087 10 F CA 1.031 59.004 58.000 -0.043 0.000 1.365 10 F CB -0.041 38.952 39.000 -0.012 0.000 1.056 10 F HN 0.859 nan 8.300 nan 0.000 0.506 11 G N -1.523 107.264 108.800 -0.021 0.000 2.619 11 G HA2 0.526 4.486 3.960 0.000 0.000 0.305 11 G HA3 0.526 4.486 3.960 0.000 0.000 0.305 11 G C -1.842 172.903 174.900 -0.257 0.000 1.330 11 G CA -0.363 44.552 45.100 -0.309 0.000 0.789 11 G HN 0.038 nan 8.290 nan 0.000 0.487 12 F N -2.276 117.525 119.950 -0.247 0.000 2.858 12 F HA 0.797 5.324 4.527 0.000 0.000 0.319 12 F C -2.166 173.808 175.800 0.291 0.000 1.166 12 F CA -1.602 56.400 58.000 0.002 0.000 0.899 12 F CB 1.645 40.671 39.000 0.043 0.000 1.332 12 F HN 0.611 nan 8.300 nan 0.000 0.461 13 L N 2.031 123.722 121.223 0.780 0.000 2.446 13 L HA 0.850 5.190 4.340 0.000 0.000 0.268 13 L C -1.334 175.785 176.870 0.415 0.000 0.975 13 L CA -0.579 54.609 54.840 0.579 0.000 0.848 13 L CB 1.209 43.490 42.059 0.370 0.000 1.225 13 L HN 1.185 nan 8.230 nan 0.000 0.410 14 A N 3.024 126.068 122.820 0.374 0.000 2.340 14 A HA 0.894 5.215 4.320 0.000 0.000 0.331 14 A C -0.780 176.868 177.584 0.107 0.000 1.140 14 A CA -0.430 51.684 52.037 0.128 0.000 0.801 14 A CB 1.793 20.745 19.000 -0.079 0.000 1.234 14 A HN 0.607 nan 8.150 nan 0.000 0.469 15 S N -0.056 115.674 115.700 0.050 0.000 2.538 15 S HA 0.728 5.198 4.470 0.000 0.000 0.288 15 S C -0.599 174.013 174.600 0.019 0.000 1.108 15 S CA -0.154 58.068 58.200 0.038 0.000 0.971 15 S CB 1.784 64.996 63.200 0.020 0.000 1.041 15 S HN 1.530 nan 8.310 nan 0.000 0.483 16 A N 3.000 125.835 122.820 0.024 0.000 2.363 16 A HA 0.726 5.046 4.320 0.000 0.000 0.296 16 A C -0.300 177.296 177.584 0.020 0.000 1.237 16 A CA -0.647 51.401 52.037 0.018 0.000 0.773 16 A CB 0.661 19.674 19.000 0.021 0.000 1.153 16 A HN 0.745 nan 8.150 nan 0.000 0.473 17 R N 1.444 121.952 120.500 0.014 0.000 2.637 17 R HA 0.495 4.836 4.340 0.000 0.000 0.291 17 R C 0.738 177.046 176.300 0.013 0.000 0.963 17 R CA -0.118 55.991 56.100 0.014 0.000 0.901 17 R CB 1.705 32.010 30.300 0.008 0.000 1.160 17 R HN 0.588 nan 8.270 nan 0.000 0.457 18 T N 0.942 115.505 114.554 0.016 0.000 3.085 18 T HA 0.202 4.552 4.350 0.000 0.000 0.263 18 T C 0.195 174.901 174.700 0.010 0.000 1.127 18 T CA 1.003 63.111 62.100 0.014 0.000 1.103 18 T CB -0.062 68.815 68.868 0.016 0.000 0.921 18 T HN 0.735 nan 8.240 nan 0.000 0.510 19 G N -1.272 107.534 108.800 0.010 0.000 2.289 19 G HA2 0.521 4.481 3.960 0.000 0.000 0.315 19 G HA3 0.521 4.481 3.960 0.000 0.000 0.315 19 G C -0.280 174.623 174.900 0.006 0.000 1.587 19 G CA -0.027 45.078 45.100 0.007 0.000 0.949 19 G HN 0.672 nan 8.290 nan 0.000 0.626 20 G N -0.448 108.354 108.800 0.004 0.000 2.353 20 G HA2 0.544 4.504 3.960 0.000 0.000 0.615 20 G HA3 0.544 4.504 3.960 0.000 0.000 0.615 20 G C 0.467 175.367 174.900 -0.000 0.000 1.280 20 G CA 0.687 45.788 45.100 0.002 0.000 1.000 20 G HN 1.929 nan 8.290 nan 0.000 0.516 21 G N -1.025 107.773 108.800 -0.003 0.000 2.443 21 G HA2 0.461 4.421 3.960 0.000 0.000 0.188 21 G HA3 0.461 4.421 3.960 0.000 0.000 0.188 21 G C 0.366 175.259 174.900 -0.012 0.000 1.654 21 G CA 0.306 45.403 45.100 -0.005 0.000 0.685 21 G HN 0.632 nan 8.290 nan 0.000 0.694 22 R N 1.166 121.658 120.500 -0.014 0.000 2.346 22 R HA 0.520 4.861 4.340 0.000 0.000 0.309 22 R C -0.403 175.873 176.300 -0.039 0.000 1.119 22 R CA 0.381 56.470 56.100 -0.019 0.000 1.112 22 R CB 0.471 30.767 30.300 -0.007 0.000 1.132 22 R HN 0.846 nan 8.270 nan 0.000 0.538 23 A N 3.952 126.728 122.820 -0.073 0.000 1.977 23 A HA -0.106 4.215 4.320 0.000 0.000 0.256 23 A C -2.246 175.304 177.584 -0.057 0.000 1.365 23 A CA -0.347 51.633 52.037 -0.095 0.000 0.721 23 A CB -1.091 17.884 19.000 -0.042 0.000 1.192 23 A HN 0.539 nan 8.150 nan 0.000 0.289 24 P HA 0.458 nan 4.420 nan 0.000 0.276 24 P C 0.777 178.119 177.300 0.070 0.000 1.261 24 P CA 0.458 63.564 63.100 0.011 0.000 0.800 24 P CB 0.502 32.226 31.700 0.040 0.000 1.066 25 G N 1.525 110.366 108.800 0.069 0.000 2.313 25 G HA2 0.243 4.203 3.960 0.000 0.000 0.250 25 G HA3 0.243 4.203 3.960 0.000 0.000 0.250 25 G C -1.950 172.970 174.900 0.034 0.000 1.281 25 G CA -0.563 44.575 45.100 0.062 0.000 0.917 25 G HN 0.426 nan 8.290 nan 0.000 0.501 26 P HA 0.202 nan 4.420 nan 0.000 0.275 26 P C -0.584 176.472 177.300 -0.407 0.000 1.228 26 P CA -0.304 62.581 63.100 -0.358 0.000 0.786 26 P CB 1.669 32.948 31.700 -0.702 0.000 0.927 27 V N 4.228 123.857 119.914 -0.474 0.000 2.304 27 V HA 0.329 4.449 4.120 0.000 0.000 0.278 27 V C 0.003 175.954 176.094 -0.239 0.000 1.018 27 V CA -0.281 61.882 62.300 -0.228 0.000 0.814 27 V CB -0.283 31.471 31.823 -0.115 0.000 1.021 27 V HN 0.425 nan 8.190 nan 0.000 0.440 28 F N 1.737 121.719 119.950 0.053 0.000 2.470 28 F HA 0.617 5.144 4.527 0.000 0.000 0.329 28 F C 1.256 176.961 175.800 -0.158 0.000 1.072 28 F CA -0.754 57.199 58.000 -0.079 0.000 0.989 28 F CB 2.109 41.078 39.000 -0.052 0.000 1.193 28 F HN 0.474 nan 8.300 nan 0.000 0.481 29 A N 0.769 123.426 122.820 -0.272 0.000 2.030 29 A HA 0.093 4.413 4.320 0.000 0.000 0.215 29 A C 0.927 178.360 177.584 -0.251 0.000 1.164 29 A CA 0.368 51.913 52.037 -0.819 0.000 0.697 29 A CB -0.511 17.558 19.000 -1.552 0.000 0.827 29 A HN 0.655 nan 8.150 nan 0.000 0.457 30 T N 1.079 115.549 114.554 -0.141 0.000 2.928 30 T HA 0.239 4.590 4.350 0.000 0.000 0.305 30 T C 0.279 175.019 174.700 0.067 0.000 1.035 30 T CA 0.096 62.140 62.100 -0.092 0.000 1.145 30 T CB 0.359 69.127 68.868 -0.167 0.000 0.963 30 T HN 0.446 nan 8.240 nan 0.000 0.545 31 R N 1.359 121.886 120.500 0.044 0.000 2.312 31 R HA 0.597 4.937 4.340 0.000 0.000 0.311 31 R C 0.219 176.613 176.300 0.157 0.000 1.004 31 R CA -0.036 56.133 56.100 0.115 0.000 0.902 31 R CB 0.427 30.770 30.300 0.071 0.000 1.073 31 R HN 0.906 nan 8.270 nan 0.000 0.457 32 G N 1.082 109.987 108.800 0.176 0.000 2.341 32 G HA2 0.028 3.988 3.960 0.000 0.000 0.293 32 G HA3 0.028 3.988 3.960 0.000 0.000 0.293 32 G C -1.485 173.476 174.900 0.101 0.000 1.298 32 G CA -0.889 44.291 45.100 0.133 0.000 0.868 32 G HN 0.546 nan 8.290 nan 0.000 0.540 33 S N -0.261 115.369 115.700 -0.115 0.000 2.592 33 S HA 0.512 4.982 4.470 0.000 0.000 0.271 33 S C -0.425 174.269 174.600 0.158 0.000 1.326 33 S CA -0.242 57.897 58.200 -0.102 0.000 1.024 33 S CB 0.505 63.501 63.200 -0.341 0.000 0.921 33 S HN 0.497 nan 8.310 nan 0.000 0.527 34 H N 1.003 120.094 119.070 0.035 0.000 2.595 34 H HA 0.360 4.916 4.556 0.000 0.000 0.313 34 H C -0.700 174.721 175.328 0.155 0.000 1.023 34 H CA -0.565 55.568 56.048 0.143 0.000 1.218 34 H CB 1.074 30.925 29.762 0.148 0.000 1.403 34 H HN 0.402 nan 8.280 nan 0.000 0.477 35 T N 3.768 118.506 114.554 0.306 0.000 2.847 35 T HA 0.095 4.445 4.350 0.000 0.000 0.291 35 T C -0.358 174.435 174.700 0.155 0.000 0.998 35 T CA -0.968 61.267 62.100 0.225 0.000 0.967 35 T CB 1.210 70.228 68.868 0.249 0.000 0.954 35 T HN 0.492 nan 8.240 nan 0.000 0.441 36 D N 2.982 123.452 120.400 0.118 0.000 2.304 36 D HA 0.318 4.958 4.640 0.000 0.000 0.250 36 D C 0.916 177.245 176.300 0.048 0.000 1.107 36 D CA -0.459 53.590 54.000 0.083 0.000 0.885 36 D CB 0.894 41.737 40.800 0.071 0.000 1.192 36 D HN 0.588 nan 8.370 nan 0.000 0.436 37 I N -1.647 118.938 120.570 0.027 0.000 2.886 37 I HA 0.308 4.478 4.170 0.000 0.000 0.299 37 I C 0.125 176.243 176.117 0.001 0.000 1.044 37 I CA -0.778 60.522 61.300 0.001 0.000 1.310 37 I CB 0.714 38.701 38.000 -0.022 0.000 1.441 37 I HN -0.040 nan 8.210 nan 0.000 0.578 38 D N 2.228 122.624 120.400 -0.008 0.000 2.362 38 D HA 0.212 4.852 4.640 0.000 0.000 0.242 38 D C 0.134 176.429 176.300 -0.008 0.000 1.132 38 D CA 0.222 54.219 54.000 -0.006 0.000 0.907 38 D CB 1.232 42.026 40.800 -0.010 0.000 1.195 38 D HN 0.756 nan 8.370 nan 0.000 0.429 39 T N -1.748 112.803 114.554 -0.005 0.000 3.401 39 T HA 0.288 4.639 4.350 0.000 0.000 0.341 39 T C -1.797 172.900 174.700 -0.006 0.000 1.674 39 T CA -1.290 60.807 62.100 -0.006 0.000 1.600 39 T CB 1.283 70.150 68.868 -0.002 0.000 0.974 39 T HN 0.107 nan 8.240 nan 0.000 0.672 40 P HA -0.167 nan 4.420 nan 0.000 0.221 40 P C 0.866 178.163 177.300 -0.006 0.000 1.145 40 P CA 1.212 64.307 63.100 -0.007 0.000 0.795 40 P CB 0.245 31.939 31.700 -0.010 0.000 0.775 41 Q N -0.733 119.064 119.800 -0.006 0.000 2.186 41 Q HA 0.320 4.660 4.340 0.000 0.000 0.241 41 Q C 1.001 177.000 176.000 -0.003 0.000 0.849 41 Q CA 0.270 56.070 55.803 -0.004 0.000 1.053 41 Q CB -0.042 28.693 28.738 -0.005 0.000 1.146 41 Q HN 0.163 nan 8.270 nan 0.000 0.475 42 G N 3.468 112.267 108.800 -0.002 0.000 2.591 42 G HA2 -0.454 3.506 3.960 0.000 0.000 0.298 42 G HA3 -0.454 3.506 3.960 0.000 0.000 0.298 42 G C 0.678 175.577 174.900 -0.000 0.000 1.195 42 G CA 0.655 45.755 45.100 -0.001 0.000 0.989 42 G HN 0.522 nan 8.290 nan 0.000 0.551 43 E N 0.898 121.099 120.200 0.001 0.000 2.418 43 E HA 0.049 4.399 4.350 0.000 0.000 0.197 43 E C 2.177 178.778 176.600 0.002 0.000 1.026 43 E CA 0.806 57.207 56.400 0.002 0.000 0.862 43 E CB 0.012 29.714 29.700 0.003 0.000 0.799 43 E HN 0.566 nan 8.360 nan 0.000 0.518 44 R N 1.171 121.672 120.500 0.001 0.000 2.310 44 R HA 0.145 4.485 4.340 0.000 0.000 0.202 44 R C 0.238 176.537 176.300 -0.002 0.000 0.933 44 R CA -0.047 56.053 56.100 0.001 0.000 1.054 44 R CB 0.410 30.711 30.300 0.000 0.000 0.985 44 R HN 0.006 nan 8.270 nan 0.000 0.489 45 S N 0.844 116.542 115.700 -0.003 0.000 2.672 45 S HA 0.252 4.723 4.470 0.000 0.000 0.276 45 S C -0.479 174.115 174.600 -0.009 0.000 1.207 45 S CA -0.787 57.408 58.200 -0.007 0.000 1.002 45 S CB 1.471 64.667 63.200 -0.008 0.000 0.998 45 S HN 0.054 nan 8.310 nan 0.000 0.542 46 L N 2.215 123.428 121.223 -0.017 0.000 2.260 46 L HA 0.651 4.991 4.340 0.000 0.000 0.289 46 L C -0.065 176.790 176.870 -0.025 0.000 1.057 46 L CA -0.244 54.582 54.840 -0.024 0.000 0.811 46 L CB -0.087 41.947 42.059 -0.041 0.000 1.184 46 L HN 0.722 nan 8.230 nan 0.000 0.429 47 A N 4.745 127.557 122.820 -0.014 0.000 2.309 47 A HA 0.914 5.234 4.320 0.000 0.000 0.298 47 A C -0.393 177.190 177.584 -0.001 0.000 1.165 47 A CA 0.133 52.168 52.037 -0.003 0.000 0.821 47 A CB 0.706 19.710 19.000 0.007 0.000 1.102 47 A HN 1.305 nan 8.150 nan 0.000 0.500 48 A N 1.627 124.453 122.820 0.009 0.000 2.540 48 A HA 0.677 4.998 4.320 0.000 0.000 0.297 48 A C -0.464 177.169 177.584 0.082 0.000 1.056 48 A CA -0.392 51.662 52.037 0.029 0.000 0.700 48 A CB 0.986 19.942 19.000 -0.073 0.000 1.280 48 A HN 0.799 nan 8.150 nan 0.000 0.398 49 T N 3.079 117.730 114.554 0.162 0.000 2.756 49 T HA 0.561 4.911 4.350 0.000 0.000 0.290 49 T C -0.236 174.621 174.700 0.261 0.000 0.985 49 T CA -0.071 62.144 62.100 0.192 0.000 0.955 49 T CB 0.114 69.094 68.868 0.186 0.000 0.930 49 T HN 0.453 nan 8.240 nan 0.000 0.451 50 L N 3.152 124.501 121.223 0.210 0.000 2.309 50 L HA 0.709 5.049 4.340 0.000 0.000 0.282 50 L C 0.044 177.035 176.870 0.202 0.000 1.036 50 L CA -1.169 53.797 54.840 0.211 0.000 0.806 50 L CB 1.451 43.599 42.059 0.148 0.000 1.220 50 L HN 0.308 nan 8.230 nan 0.000 0.429 51 V N 3.348 123.310 119.914 0.079 0.000 2.384 51 V HA 0.562 4.682 4.120 0.000 0.000 0.287 51 V C -0.739 175.412 176.094 0.095 0.000 1.020 51 V CA -0.010 62.312 62.300 0.038 0.000 0.850 51 V CB 1.014 32.736 31.823 -0.169 0.000 0.987 51 V HN 0.990 nan 8.190 nan 0.000 0.436 52 H N 4.220 123.295 119.070 0.008 0.000 2.966 52 H HA 0.847 5.403 4.556 0.000 0.000 0.330 52 H C -0.238 175.004 175.328 -0.143 0.000 1.292 52 H CA -0.481 55.420 56.048 -0.244 0.000 1.127 52 H CB 1.415 31.033 29.762 -0.240 0.000 1.863 52 H HN 0.816 nan 8.280 nan 0.000 0.543 53 A N 1.486 124.156 122.820 -0.251 0.000 2.548 53 A HA 0.274 4.595 4.320 0.000 0.000 0.247 53 A C -2.332 175.258 177.584 0.010 0.000 1.067 53 A CA -0.897 51.117 52.037 -0.038 0.000 0.757 53 A CB -0.914 18.047 19.000 -0.066 0.000 0.996 53 A HN 0.604 nan 8.150 nan 0.000 0.504 54 P HA 0.084 nan 4.420 nan 0.000 0.265 54 P C 0.724 178.052 177.300 0.045 0.000 1.193 54 P CA 1.520 64.614 63.100 -0.010 0.000 0.765 54 P CB 0.741 32.440 31.700 -0.002 0.000 0.823 55 S N -0.110 115.632 115.700 0.070 0.000 3.018 55 S HA -0.131 4.339 4.470 0.000 0.000 0.274 55 S C -0.085 174.550 174.600 0.058 0.000 1.300 55 S CA 0.833 59.069 58.200 0.060 0.000 1.179 55 S CB -2.476 60.746 63.200 0.036 0.000 1.427 55 S HN 0.217 nan 8.310 nan 0.000 0.668 56 V N 2.116 122.086 119.914 0.093 0.000 2.357 56 V HA 0.804 4.924 4.120 0.000 0.000 0.281 56 V C 0.797 176.868 176.094 -0.038 0.000 1.015 56 V CA -0.521 61.794 62.300 0.026 0.000 0.827 56 V CB 0.734 32.553 31.823 -0.006 0.000 1.018 56 V HN 1.027 nan 8.190 nan 0.000 0.432 57 A N 7.443 130.213 122.820 -0.083 0.000 2.584 57 A HA 0.293 4.613 4.320 0.000 0.000 0.239 57 A C -0.802 176.590 177.584 -0.321 0.000 1.043 57 A CA -0.315 51.607 52.037 -0.191 0.000 0.756 57 A CB 0.003 18.938 19.000 -0.109 0.000 0.963 57 A HN 0.699 nan 8.150 nan 0.000 0.511 58 P HA 0.033 nan 4.420 nan 0.000 0.255 58 P C -0.143 177.012 177.300 -0.241 0.000 1.427 58 P CA 0.097 62.931 63.100 -0.442 0.000 0.863 58 P CB 0.210 31.553 31.700 -0.595 0.000 1.444 59 D N 1.227 121.515 120.400 -0.186 0.000 2.172 59 D HA -0.185 4.455 4.640 0.000 0.000 0.196 59 D C 1.867 178.100 176.300 -0.113 0.000 0.999 59 D CA 1.286 55.211 54.000 -0.126 0.000 0.856 59 D CB -0.388 40.352 40.800 -0.100 0.000 0.934 59 D HN 0.293 nan 8.370 nan 0.000 0.453 60 R N -0.037 120.389 120.500 -0.123 0.000 2.316 60 R HA 0.173 4.513 4.340 0.000 0.000 0.202 60 R C 1.642 177.875 176.300 -0.110 0.000 1.029 60 R CA 0.666 56.700 56.100 -0.110 0.000 1.018 60 R CB 0.112 30.343 30.300 -0.116 0.000 0.888 60 R HN 0.087 nan 8.270 nan 0.000 0.471 61 A N 0.516 123.264 122.820 -0.120 0.000 2.251 61 A HA 0.161 4.481 4.320 0.000 0.000 0.209 61 A C 0.454 177.989 177.584 -0.081 0.000 1.187 61 A CA 0.181 52.160 52.037 -0.096 0.000 0.823 61 A CB 0.596 19.536 19.000 -0.100 0.000 0.846 61 A HN -0.005 nan 8.150 nan 0.000 0.486 62 V N -0.726 119.137 119.914 -0.085 0.000 2.735 62 V HA 0.797 4.917 4.120 0.000 0.000 0.310 62 V C -0.187 175.868 176.094 -0.066 0.000 1.061 62 V CA -0.249 62.005 62.300 -0.077 0.000 0.913 62 V CB 1.481 33.259 31.823 -0.076 0.000 1.005 62 V HN 0.499 nan 8.190 nan 0.000 0.428 63 A N 4.166 126.951 122.820 -0.058 0.000 2.520 63 A HA 0.932 5.252 4.320 0.000 0.000 0.298 63 A C -0.859 176.699 177.584 -0.042 0.000 1.051 63 A CA -0.810 51.198 52.037 -0.049 0.000 0.690 63 A CB 1.915 20.886 19.000 -0.049 0.000 1.281 63 A HN 0.812 nan 8.150 nan 0.000 0.402 64 R N 0.473 120.950 120.500 -0.037 0.000 2.888 64 R HA 0.678 5.018 4.340 0.000 0.000 0.266 64 R C 0.096 176.380 176.300 -0.028 0.000 1.020 64 R CA -0.440 55.641 56.100 -0.031 0.000 0.963 64 R CB 1.938 32.220 30.300 -0.029 0.000 1.197 64 R HN 0.948 nan 8.270 nan 0.000 0.481 65 S N 0.607 116.293 115.700 -0.023 0.000 2.568 65 S HA 0.027 4.497 4.470 0.000 0.000 0.282 65 S C 0.705 175.292 174.600 -0.022 0.000 1.338 65 S CA -0.349 57.838 58.200 -0.022 0.000 1.045 65 S CB 0.404 63.593 63.200 -0.018 0.000 0.873 65 S HN 0.431 nan 8.310 nan 0.000 0.516 66 L N 2.797 124.006 121.223 -0.023 0.000 2.627 66 L HA 0.197 4.537 4.340 0.000 0.000 0.232 66 L C 2.100 178.959 176.870 -0.019 0.000 1.150 66 L CA 1.016 55.843 54.840 -0.022 0.000 0.917 66 L CB -0.725 41.320 42.059 -0.023 0.000 1.104 66 L HN 1.068 nan 8.230 nan 0.000 0.445 67 T N -5.256 109.287 114.554 -0.018 0.000 3.129 67 T HA 0.371 4.721 4.350 0.000 0.000 0.267 67 T C 1.358 176.050 174.700 -0.014 0.000 1.018 67 T CA 0.236 62.327 62.100 -0.015 0.000 0.903 67 T CB 0.332 69.191 68.868 -0.015 0.000 1.067 67 T HN 0.273 nan 8.240 nan 0.000 0.549 68 G N 1.213 110.004 108.800 -0.014 0.000 2.168 68 G HA2 -0.058 3.902 3.960 0.000 0.000 0.257 68 G HA3 -0.058 3.902 3.960 0.000 0.000 0.257 68 G C 0.344 175.237 174.900 -0.011 0.000 0.997 68 G CA 0.046 45.138 45.100 -0.013 0.000 0.708 68 G HN 1.230 nan 8.290 nan 0.000 0.520 69 A N -0.175 122.638 122.820 -0.012 0.000 2.264 69 A HA 0.793 5.113 4.320 0.000 0.000 0.304 69 A C -1.456 176.122 177.584 -0.010 0.000 1.100 69 A CA -1.236 50.795 52.037 -0.010 0.000 0.839 69 A CB 0.671 19.666 19.000 -0.009 0.000 1.121 69 A HN 0.057 nan 8.150 nan 0.000 0.496 70 P HA 0.119 nan 4.420 nan 0.000 0.238 70 P C -0.744 176.552 177.300 -0.007 0.000 1.649 70 P CA 0.860 63.956 63.100 -0.007 0.000 0.960 70 P CB -0.296 31.401 31.700 -0.004 0.000 1.911 71 T N 0.285 114.833 114.554 -0.010 0.000 2.840 71 T HA 0.497 4.848 4.350 0.000 0.000 0.287 71 T C -0.261 174.429 174.700 -0.017 0.000 0.991 71 T CA -0.251 61.843 62.100 -0.010 0.000 0.964 71 T CB 1.294 70.156 68.868 -0.009 0.000 0.954 71 T HN -0.122 nan 8.240 nan 0.000 0.438 72 T N 2.312 116.854 114.554 -0.019 0.000 2.933 72 T HA 0.768 5.118 4.350 0.000 0.000 0.305 72 T C -0.958 173.721 174.700 -0.036 0.000 1.092 72 T CA -0.664 61.417 62.100 -0.031 0.000 1.008 72 T CB 1.771 70.616 68.868 -0.038 0.000 1.102 72 T HN 0.733 nan 8.240 nan 0.000 0.469 73 A N 2.028 124.822 122.820 -0.043 0.000 2.365 73 A HA 0.891 5.211 4.320 0.000 0.000 0.318 73 A C -1.075 176.460 177.584 -0.083 0.000 1.091 73 A CA -0.662 51.349 52.037 -0.043 0.000 0.763 73 A CB 1.371 20.364 19.000 -0.013 0.000 1.248 73 A HN 0.664 nan 8.150 nan 0.000 0.442 74 V N 2.456 122.291 119.914 -0.130 0.000 2.577 74 V HA 0.584 4.705 4.120 0.000 0.000 0.303 74 V C -0.801 175.224 176.094 -0.116 0.000 1.042 74 V CA -0.373 61.807 62.300 -0.201 0.000 0.872 74 V CB 1.564 33.125 31.823 -0.437 0.000 0.998 74 V HN 0.852 nan 8.190 nan 0.000 0.423 75 L N 4.383 125.609 121.223 0.006 0.000 2.409 75 L HA 0.936 5.277 4.340 0.000 0.000 0.272 75 L C -0.096 176.896 176.870 0.204 0.000 0.980 75 L CA -0.317 54.617 54.840 0.156 0.000 0.826 75 L CB 1.694 43.807 42.059 0.089 0.000 1.268 75 L HN 0.742 nan 8.230 nan 0.000 0.407 76 A N 3.726 126.756 122.820 0.351 0.000 2.292 76 A HA 0.891 5.211 4.320 0.000 0.000 0.319 76 A C 0.433 178.130 177.584 0.188 0.000 1.206 76 A CA 0.423 52.596 52.037 0.227 0.000 0.835 76 A CB 0.797 19.904 19.000 0.177 0.000 1.164 76 A HN 1.450 nan 8.150 nan 0.000 0.505 77 G N 1.359 110.184 108.800 0.041 0.000 2.472 77 G HA2 0.203 4.164 3.960 0.000 0.000 0.205 77 G HA3 0.203 4.164 3.960 0.000 0.000 0.205 77 G C -0.544 174.314 174.900 -0.071 0.000 1.270 77 G CA 0.048 45.172 45.100 0.041 0.000 0.974 77 G HN 1.700 nan 8.290 nan 0.000 0.542 78 E N -1.535 118.666 120.200 0.002 0.000 2.445 78 E HA 0.723 5.074 4.350 0.000 0.000 0.279 78 E C -1.169 175.265 176.600 -0.277 0.000 1.018 78 E CA -1.196 55.110 56.400 -0.157 0.000 0.816 78 E CB 1.929 31.508 29.700 -0.202 0.000 1.356 78 E HN 0.710 nan 8.360 nan 0.000 0.462 79 I N 1.236 121.598 120.570 -0.346 0.000 2.493 79 I HA 0.236 4.406 4.170 0.000 0.000 0.298 79 I C -0.406 175.491 176.117 -0.365 0.000 0.998 79 I CA -0.765 60.316 61.300 -0.365 0.000 1.137 79 I CB 1.104 38.951 38.000 -0.255 0.000 1.310 79 I HN 0.579 nan 8.210 nan 0.000 0.445 80 Y N 2.159 122.493 120.300 0.057 0.000 2.522 80 Y HA 0.015 4.565 4.550 0.000 0.000 0.277 80 Y C 1.549 177.456 175.900 0.010 0.000 1.104 80 Y CA -0.152 57.972 58.100 0.041 0.000 1.260 80 Y CB -0.150 38.344 38.460 0.057 0.000 1.151 80 Y HN 0.555 nan 8.280 nan 0.000 0.539 81 N N 1.460 120.232 118.700 0.119 0.000 3.052 81 N HA 0.069 4.809 4.740 0.000 0.000 0.302 81 N C 0.690 176.208 175.510 0.014 0.000 1.332 81 N CA -0.076 53.009 53.050 0.059 0.000 1.129 81 N CB -0.173 38.338 38.487 0.039 0.000 1.436 81 N HN 0.270 nan 8.380 nan 0.000 0.536 82 R N 0.275 120.782 120.500 0.011 0.000 2.070 82 R HA -0.087 4.254 4.340 0.000 0.000 0.233 82 R C 0.828 177.122 176.300 -0.010 0.000 1.137 82 R CA 1.566 57.657 56.100 -0.015 0.000 0.945 82 R CB -0.077 30.213 30.300 -0.016 0.000 0.845 82 R HN 0.297 nan 8.270 nan 0.000 0.430 83 D N 0.605 121.006 120.400 0.002 0.000 2.133 83 D HA -0.173 4.467 4.640 0.000 0.000 0.195 83 D C 1.814 178.113 176.300 -0.001 0.000 0.997 83 D CA 1.417 55.417 54.000 0.000 0.000 0.840 83 D CB -0.076 40.727 40.800 0.005 0.000 0.947 83 D HN 0.231 nan 8.370 nan 0.000 0.452 84 E N 0.217 120.417 120.200 -0.000 0.000 2.051 84 E HA -0.111 4.239 4.350 0.000 0.000 0.192 84 E C 2.079 178.674 176.600 -0.009 0.000 0.991 84 E CA 0.274 56.672 56.400 -0.003 0.000 0.799 84 E CB -0.230 29.468 29.700 -0.003 0.000 0.748 84 E HN 0.117 nan 8.360 nan 0.000 0.449 85 L N 0.202 121.413 121.223 -0.020 0.000 2.083 85 L HA -0.116 4.224 4.340 0.000 0.000 0.209 85 L C 2.133 178.997 176.870 -0.010 0.000 1.083 85 L CA 1.481 56.303 54.840 -0.029 0.000 0.752 85 L CB -0.984 41.043 42.059 -0.053 0.000 0.899 85 L HN 0.217 nan 8.230 nan 0.000 0.433 86 L N -0.673 120.542 121.223 -0.012 0.000 2.141 86 L HA -0.189 4.152 4.340 0.000 0.000 0.209 86 L C 2.582 179.454 176.870 0.003 0.000 1.094 86 L CA 1.286 56.122 54.840 -0.008 0.000 0.763 86 L CB -0.559 41.492 42.059 -0.012 0.000 0.908 86 L HN 0.398 nan 8.230 nan 0.000 0.437 87 S N -0.271 115.432 115.700 0.006 0.000 2.442 87 S HA -0.116 4.354 4.470 0.000 0.000 0.236 87 S C 1.628 176.243 174.600 0.024 0.000 1.007 87 S CA 1.025 59.232 58.200 0.011 0.000 0.965 87 S CB -0.697 62.508 63.200 0.010 0.000 0.773 87 S HN 0.369 nan 8.310 nan 0.000 0.504 88 V N -1.881 118.057 119.914 0.040 0.000 3.647 88 V HA 0.494 4.614 4.120 0.000 0.000 0.279 88 V C 0.059 176.195 176.094 0.071 0.000 1.314 88 V CA -0.450 61.897 62.300 0.079 0.000 1.125 88 V CB -0.790 31.119 31.823 0.144 0.000 0.907 88 V HN 0.244 nan 8.190 nan 0.000 0.434 89 L N 2.597 123.842 121.223 0.035 0.000 2.322 89 L HA 0.652 4.992 4.340 0.000 0.000 0.279 89 L C -1.829 175.039 176.870 -0.003 0.000 1.036 89 L CA -2.066 52.783 54.840 0.014 0.000 0.807 89 L CB 1.006 43.067 42.059 0.004 0.000 1.226 89 L HN 0.111 nan 8.230 nan 0.000 0.433 90 P HA 0.073 nan 4.420 nan 0.000 0.267 90 P C -0.763 176.528 177.300 -0.015 0.000 1.201 90 P CA -0.422 62.667 63.100 -0.019 0.000 0.775 90 P CB 0.446 32.130 31.700 -0.027 0.000 0.854 91 A N 1.415 124.226 122.820 -0.014 0.000 2.466 91 A HA 0.520 4.840 4.320 0.000 0.000 0.238 91 A C 0.886 178.461 177.584 -0.015 0.000 1.074 91 A CA 0.968 52.998 52.037 -0.012 0.000 0.774 91 A CB -0.846 18.147 19.000 -0.011 0.000 1.015 91 A HN 1.015 nan 8.150 nan 0.000 0.498 92 G N 0.698 109.489 108.800 -0.014 0.000 2.315 92 G HA2 0.283 4.243 3.960 0.000 0.000 0.296 92 G HA3 0.283 4.243 3.960 0.000 0.000 0.296 92 G C -3.003 171.887 174.900 -0.017 0.000 1.289 92 G CA -0.505 44.585 45.100 -0.016 0.000 0.996 92 G HN 0.817 nan 8.290 nan 0.000 0.487 93 P HA 0.502 nan 4.420 nan 0.000 0.260 93 P C 0.476 177.762 177.300 -0.023 0.000 1.207 93 P CA 0.835 63.923 63.100 -0.020 0.000 0.780 93 P CB 0.553 32.241 31.700 -0.021 0.000 0.789 94 A N 6.457 129.263 122.820 -0.023 0.000 2.406 94 A HA 0.388 4.708 4.320 0.000 0.000 0.243 94 A C -1.647 175.918 177.584 -0.032 0.000 1.082 94 A CA -0.929 51.092 52.037 -0.026 0.000 0.786 94 A CB -0.825 18.160 19.000 -0.025 0.000 1.029 94 A HN 0.441 nan 8.150 nan 0.000 0.495 95 P HA 0.102 nan 4.420 nan 0.000 0.269 95 P C 0.247 177.519 177.300 -0.046 0.000 1.215 95 P CA -0.183 62.891 63.100 -0.043 0.000 0.780 95 P CB 0.703 32.372 31.700 -0.051 0.000 0.898 96 E N 0.891 121.062 120.200 -0.049 0.000 2.015 96 E HA -0.033 4.317 4.350 0.000 0.000 0.191 96 E C 1.243 177.806 176.600 -0.062 0.000 0.991 96 E CA 1.432 57.801 56.400 -0.052 0.000 0.802 96 E CB -0.463 29.205 29.700 -0.054 0.000 0.759 96 E HN 0.718 nan 8.360 nan 0.000 0.447 97 G N -0.191 108.567 108.800 -0.071 0.000 3.211 97 G HA2 0.186 4.147 3.960 0.000 0.000 0.262 97 G HA3 0.186 4.147 3.960 0.000 0.000 0.262 97 G C -0.122 174.723 174.900 -0.091 0.000 1.352 97 G CA -0.327 44.723 45.100 -0.084 0.000 1.004 97 G HN -0.156 nan 8.290 nan 0.000 0.559 98 D N -0.167 120.169 120.400 -0.107 0.000 2.178 98 D HA -0.030 4.610 4.640 0.000 0.000 0.202 98 D C 2.600 178.830 176.300 -0.118 0.000 0.974 98 D CA 1.335 55.258 54.000 -0.128 0.000 0.841 98 D CB -0.160 40.548 40.800 -0.152 0.000 0.953 98 D HN 0.343 nan 8.370 nan 0.000 0.478 99 A N 0.946 123.712 122.820 -0.091 0.000 1.877 99 A HA -0.192 4.129 4.320 0.000 0.000 0.216 99 A C 2.084 179.627 177.584 -0.068 0.000 1.186 99 A CA 1.348 53.344 52.037 -0.068 0.000 0.620 99 A CB -0.491 18.472 19.000 -0.061 0.000 0.822 99 A HN 0.162 nan 8.150 nan 0.000 0.443 100 E N -0.529 119.630 120.200 -0.070 0.000 2.150 100 E HA -0.097 4.253 4.350 0.000 0.000 0.193 100 E C 1.963 178.522 176.600 -0.068 0.000 0.985 100 E CA 0.568 56.931 56.400 -0.062 0.000 0.814 100 E CB -0.167 29.498 29.700 -0.058 0.000 0.752 100 E HN 0.598 nan 8.360 nan 0.000 0.466 101 L N 0.643 121.817 121.223 -0.082 0.000 2.017 101 L HA -0.184 4.156 4.340 0.000 0.000 0.208 101 L C 2.327 179.134 176.870 -0.105 0.000 1.073 101 L CA 1.133 55.919 54.840 -0.089 0.000 0.745 101 L CB -0.191 41.805 42.059 -0.106 0.000 0.894 101 L HN 0.077 nan 8.230 nan 0.000 0.432 102 V N -0.047 119.792 119.914 -0.126 0.000 2.295 102 V HA -0.317 3.803 4.120 0.000 0.000 0.246 102 V C 2.446 178.467 176.094 -0.121 0.000 1.049 102 V CA 1.660 63.870 62.300 -0.150 0.000 1.024 102 V CB -0.489 31.274 31.823 -0.100 0.000 0.648 102 V HN 0.377 nan 8.190 nan 0.000 0.447 103 L N 0.052 121.230 121.223 -0.075 0.000 2.046 103 L HA -0.122 4.218 4.340 0.000 0.000 0.208 103 L C 2.646 179.482 176.870 -0.057 0.000 1.077 103 L CA 1.900 56.707 54.840 -0.056 0.000 0.747 103 L CB -0.722 41.312 42.059 -0.042 0.000 0.896 103 L HN 0.177 nan 8.230 nan 0.000 0.432 104 R N -0.560 119.907 120.500 -0.055 0.000 2.096 104 R HA -0.078 4.262 4.340 0.000 0.000 0.235 104 R C 2.268 178.548 176.300 -0.033 0.000 1.127 104 R CA 1.361 57.436 56.100 -0.043 0.000 0.968 104 R CB -0.995 29.282 30.300 -0.038 0.000 0.861 104 R HN 0.410 nan 8.270 nan 0.000 0.440 105 L N 0.496 121.695 121.223 -0.040 0.000 2.093 105 L HA -0.124 4.217 4.340 0.000 0.000 0.208 105 L C 2.429 179.303 176.870 0.008 0.000 1.085 105 L CA 0.954 55.799 54.840 0.007 0.000 0.755 105 L CB -0.420 41.590 42.059 -0.082 0.000 0.904 105 L HN 0.102 nan 8.230 nan 0.000 0.435 106 L N -0.576 120.595 121.223 -0.087 0.000 2.141 106 L HA -0.189 4.151 4.340 0.000 0.000 0.209 106 L C 2.345 179.191 176.870 -0.039 0.000 1.094 106 L CA 1.153 55.940 54.840 -0.089 0.000 0.763 106 L CB -0.439 41.563 42.059 -0.095 0.000 0.908 106 L HN 0.297 nan 8.230 nan 0.000 0.437 107 E N -0.428 119.747 120.200 -0.042 0.000 2.268 107 E HA -0.203 4.148 4.350 0.000 0.000 0.195 107 E C 2.171 178.726 176.600 -0.074 0.000 0.995 107 E CA 0.604 56.976 56.400 -0.047 0.000 0.836 107 E CB 0.099 29.771 29.700 -0.046 0.000 0.763 107 E HN 0.346 nan 8.360 nan 0.000 0.491 108 R N -0.710 119.734 120.500 -0.094 0.000 2.142 108 R HA 0.018 4.358 4.340 0.000 0.000 0.204 108 R C 1.027 177.102 176.300 -0.375 0.000 1.059 108 R CA 0.588 56.533 56.100 -0.257 0.000 1.055 108 R CB 0.329 30.413 30.300 -0.361 0.000 0.976 108 R HN 0.147 nan 8.270 nan 0.000 0.483 109 Y N 0.156 120.438 120.300 -0.030 0.000 2.442 109 Y HA 0.222 4.773 4.550 0.000 0.000 0.250 109 Y C 0.211 176.137 175.900 0.044 0.000 1.113 109 Y CA 0.081 58.191 58.100 0.017 0.000 1.273 109 Y CB 0.384 38.851 38.460 0.013 0.000 1.138 109 Y HN 0.155 nan 8.280 nan 0.000 0.522 110 D N -0.380 120.071 120.400 0.084 0.000 4.121 110 D HA -0.282 4.359 4.640 0.000 0.000 0.291 110 D C 0.980 177.243 176.300 -0.062 0.000 2.247 110 D CA 1.355 55.356 54.000 0.003 0.000 1.125 110 D CB -0.313 40.490 40.800 0.006 0.000 1.032 110 D HN 0.093 nan 8.370 nan 0.000 1.224 111 L N -1.006 120.139 121.223 -0.130 0.000 2.386 111 L HA -0.159 4.181 4.340 0.000 0.000 0.220 111 L C 1.923 178.718 176.870 -0.125 0.000 1.115 111 L CA 2.115 56.902 54.840 -0.089 0.000 0.780 111 L CB -1.392 40.582 42.059 -0.142 0.000 0.902 111 L HN 0.475 nan 8.230 nan 0.000 0.442 112 H N 0.319 119.399 119.070 0.016 0.000 2.559 112 H HA 0.223 4.779 4.556 0.000 0.000 0.273 112 H C 2.245 177.533 175.328 -0.066 0.000 1.000 112 H CA 0.897 56.961 56.048 0.027 0.000 1.195 112 H CB -0.034 29.767 29.762 0.063 0.000 1.368 112 H HN 0.587 nan 8.280 nan 0.000 0.592 113 A N 0.785 123.540 122.820 -0.108 0.000 1.978 113 A HA -0.158 4.162 4.320 0.000 0.000 0.220 113 A C 1.906 179.297 177.584 -0.321 0.000 1.170 113 A CA 1.017 52.868 52.037 -0.309 0.000 0.636 113 A CB -1.106 17.622 19.000 -0.454 0.000 0.810 113 A HN 0.277 nan 8.150 nan 0.000 0.448 114 F N -0.441 119.543 119.950 0.057 0.000 2.604 114 F HA -0.035 4.492 4.527 0.000 0.000 0.298 114 F C 2.369 178.250 175.800 0.136 0.000 1.131 114 F CA 0.783 58.856 58.000 0.122 0.000 1.457 114 F CB -0.085 39.022 39.000 0.178 0.000 1.095 114 F HN 0.122 nan 8.300 nan 0.000 0.574 115 R N 0.017 120.645 120.500 0.214 0.000 2.236 115 R HA 0.022 4.362 4.340 0.000 0.000 0.208 115 R C 1.601 177.960 176.300 0.098 0.000 1.036 115 R CA 0.706 56.919 56.100 0.187 0.000 1.001 115 R CB -0.138 30.254 30.300 0.154 0.000 0.896 115 R HN 0.374 nan 8.270 nan 0.000 0.464 116 L N 0.058 121.280 121.223 -0.001 0.000 2.463 116 L HA 0.128 4.468 4.340 0.000 0.000 0.219 116 L C 0.264 177.125 176.870 -0.016 0.000 1.088 116 L CA -0.066 54.736 54.840 -0.064 0.000 0.849 116 L CB 0.487 42.415 42.059 -0.218 0.000 1.012 116 L HN -0.138 nan 8.230 nan 0.000 0.468 117 V N 1.531 121.470 119.914 0.043 0.000 2.455 117 V HA 0.076 4.196 4.120 0.000 0.000 0.273 117 V C -0.167 176.017 176.094 0.150 0.000 1.045 117 V CA -0.292 62.044 62.300 0.061 0.000 0.976 117 V CB 0.900 32.743 31.823 0.033 0.000 0.993 117 V HN 0.277 nan 8.190 nan 0.000 0.475 118 N N 4.247 123.001 118.700 0.091 0.000 2.621 118 N HA 0.650 5.390 4.740 0.000 0.000 0.237 118 N C -0.160 175.474 175.510 0.206 0.000 0.997 118 N CA 0.179 53.288 53.050 0.099 0.000 0.918 118 N CB 1.292 39.791 38.487 0.019 0.000 1.122 118 N HN 0.814 nan 8.380 nan 0.000 0.510 119 G N 1.412 110.426 108.800 0.357 0.000 2.731 119 G HA2 0.450 4.410 3.960 0.000 0.000 0.309 119 G HA3 0.450 4.410 3.960 0.000 0.000 0.309 119 G C -1.559 173.584 174.900 0.406 0.000 1.273 119 G CA -0.872 44.363 45.100 0.226 0.000 0.798 119 G HN 0.467 nan 8.290 nan 0.000 0.509 120 R N -0.099 120.574 120.500 0.289 0.000 2.487 120 R HA 0.601 4.941 4.340 0.000 0.000 0.288 120 R C -1.339 175.179 176.300 0.364 0.000 1.394 120 R CA -0.593 55.699 56.100 0.319 0.000 1.155 120 R CB 0.100 30.666 30.300 0.445 0.000 1.156 120 R HN 0.639 nan 8.270 nan 0.000 0.553 121 F N 0.509 120.531 119.950 0.118 0.000 2.741 121 F HA 0.864 5.391 4.527 0.000 0.000 0.313 121 F C -2.003 173.843 175.800 0.078 0.000 1.153 121 F CA -1.234 56.828 58.000 0.104 0.000 0.931 121 F CB 1.108 40.150 39.000 0.070 0.000 1.335 121 F HN 0.264 nan 8.300 nan 0.000 0.460 122 A N 0.985 123.875 122.820 0.117 0.000 2.455 122 A HA 0.784 5.104 4.320 0.000 0.000 0.300 122 A C -1.131 176.693 177.584 0.400 0.000 1.040 122 A CA -0.376 51.699 52.037 0.064 0.000 0.697 122 A CB 1.665 20.640 19.000 -0.043 0.000 1.265 122 A HN 1.222 nan 8.150 nan 0.000 0.407 123 T N 0.344 115.116 114.554 0.363 0.000 2.883 123 T HA 0.677 5.027 4.350 0.000 0.000 0.301 123 T C -1.719 173.106 174.700 0.209 0.000 1.158 123 T CA -0.304 62.004 62.100 0.346 0.000 1.007 123 T CB 1.462 70.541 68.868 0.352 0.000 1.186 123 T HN 1.043 nan 8.240 nan 0.000 0.499 124 V N 3.047 122.988 119.914 0.044 0.000 2.686 124 V HA 0.802 4.922 4.120 0.000 0.000 0.306 124 V C -0.733 175.340 176.094 -0.036 0.000 1.065 124 V CA -0.730 61.562 62.300 -0.013 0.000 0.894 124 V CB 1.672 33.419 31.823 -0.127 0.000 1.004 124 V HN 0.771 nan 8.190 nan 0.000 0.424 125 V N 5.833 125.761 119.914 0.024 0.000 2.760 125 V HA 0.742 4.862 4.120 0.000 0.000 0.309 125 V C -0.782 175.325 176.094 0.022 0.000 1.077 125 V CA -0.620 61.693 62.300 0.023 0.000 0.910 125 V CB 2.074 33.940 31.823 0.073 0.000 1.008 125 V HN 0.958 nan 8.190 nan 0.000 0.424 126 R N 3.496 123.998 120.500 0.004 0.000 2.437 126 R HA 0.717 5.057 4.340 0.000 0.000 0.310 126 R C -1.305 174.999 176.300 0.007 0.000 0.955 126 R CA -0.293 55.812 56.100 0.008 0.000 0.851 126 R CB 1.974 32.273 30.300 -0.002 0.000 1.161 126 R HN 0.783 nan 8.270 nan 0.000 0.446 127 T N 3.487 118.049 114.554 0.014 0.000 3.009 127 T HA 0.415 4.765 4.350 0.000 0.000 0.346 127 T C 0.309 175.016 174.700 0.010 0.000 1.092 127 T CA 0.196 62.302 62.100 0.010 0.000 1.080 127 T CB 1.309 70.185 68.868 0.013 0.000 1.037 127 T HN 0.972 nan 8.240 nan 0.000 0.487 128 G N 3.867 112.671 108.800 0.006 0.000 2.543 128 G HA2 -0.257 3.703 3.960 0.000 0.000 0.286 128 G HA3 -0.257 3.703 3.960 0.000 0.000 0.286 128 G C -0.006 174.900 174.900 0.010 0.000 1.153 128 G CA 0.250 45.354 45.100 0.007 0.000 0.968 128 G HN 0.586 nan 8.290 nan 0.000 0.544 129 D N 1.257 121.665 120.400 0.013 0.000 2.463 129 D HA 0.264 4.904 4.640 0.000 0.000 0.224 129 D C 1.008 177.320 176.300 0.021 0.000 1.174 129 D CA 0.037 54.047 54.000 0.016 0.000 0.829 129 D CB 0.256 41.065 40.800 0.015 0.000 0.993 129 D HN 0.462 nan 8.370 nan 0.000 0.497 130 R N 0.673 121.187 120.500 0.022 0.000 2.393 130 R HA 0.543 4.884 4.340 0.000 0.000 0.310 130 R C -1.340 174.980 176.300 0.033 0.000 0.968 130 R CA -0.458 55.660 56.100 0.029 0.000 0.867 130 R CB 1.327 31.645 30.300 0.030 0.000 1.124 130 R HN -0.221 nan 8.270 nan 0.000 0.450 131 V N 6.411 126.349 119.914 0.040 0.000 2.531 131 V HA 0.413 4.533 4.120 0.000 0.000 0.301 131 V C -0.422 175.706 176.094 0.056 0.000 1.034 131 V CA -0.764 61.562 62.300 0.043 0.000 0.865 131 V CB 1.847 33.695 31.823 0.040 0.000 0.995 131 V HN 0.674 nan 8.190 nan 0.000 0.424 132 L N 5.699 126.963 121.223 0.068 0.000 2.334 132 L HA 0.688 5.029 4.340 0.000 0.000 0.276 132 L C -0.856 176.049 176.870 0.059 0.000 1.014 132 L CA -0.554 54.336 54.840 0.083 0.000 0.815 132 L CB 1.861 44.007 42.059 0.145 0.000 1.268 132 L HN 0.392 nan 8.230 nan 0.000 0.428 133 L N 2.673 123.908 121.223 0.021 0.000 2.385 133 L HA 0.886 5.226 4.340 0.000 0.000 0.273 133 L C -0.523 176.266 176.870 -0.135 0.000 0.990 133 L CA -0.503 54.333 54.840 -0.006 0.000 0.821 133 L CB 2.029 44.104 42.059 0.026 0.000 1.279 133 L HN 0.722 nan 8.230 nan 0.000 0.412 134 A N 1.379 124.064 122.820 -0.226 0.000 2.486 134 A HA 0.868 5.188 4.320 0.000 0.000 0.300 134 A C -0.428 176.979 177.584 -0.295 0.000 1.048 134 A CA -0.480 51.289 52.037 -0.446 0.000 0.696 134 A CB 1.971 20.150 19.000 -1.370 0.000 1.278 134 A HN 0.656 nan 8.150 nan 0.000 0.405 135 T N -1.029 113.344 114.554 -0.302 0.000 2.938 135 T HA 0.705 5.055 4.350 0.000 0.000 0.285 135 T C -0.163 174.212 174.700 -0.542 0.000 1.028 135 T CA -0.242 61.625 62.100 -0.388 0.000 1.005 135 T CB 1.028 69.753 68.868 -0.239 0.000 1.157 135 T HN 0.755 nan 8.240 nan 0.000 0.550 136 D N -1.083 118.887 120.400 -0.717 0.000 2.433 136 D HA 0.114 4.754 4.640 0.000 0.000 0.255 136 D C 1.589 177.819 176.300 -0.116 0.000 1.226 136 D CA -0.570 53.132 54.000 -0.497 0.000 1.015 136 D CB 0.123 40.662 40.800 -0.435 0.000 1.091 136 D HN 0.781 nan 8.370 nan 0.000 0.527 137 H N -1.025 117.992 119.070 -0.087 0.000 2.426 137 H HA -0.138 4.418 4.556 0.000 0.000 0.298 137 H C 1.026 176.312 175.328 -0.070 0.000 1.107 137 H CA 1.790 57.741 56.048 -0.161 0.000 1.298 137 H CB -0.507 28.813 29.762 -0.736 0.000 1.377 137 H HN 0.452 nan 8.280 nan 0.000 0.519 138 A N 0.122 122.509 122.820 -0.721 0.000 2.390 138 A HA 0.451 4.771 4.320 0.000 0.000 0.232 138 A C 1.867 179.499 177.584 0.079 0.000 1.233 138 A CA 0.469 52.402 52.037 -0.175 0.000 0.907 138 A CB -0.225 18.598 19.000 -0.296 0.000 0.967 138 A HN 0.726 nan 8.150 nan 0.000 0.512 139 G N 0.918 109.671 108.800 -0.078 0.000 2.305 139 G HA2 -0.312 3.648 3.960 0.000 0.000 0.287 139 G HA3 -0.312 3.648 3.960 0.000 0.000 0.287 139 G C 1.065 175.902 174.900 -0.105 0.000 1.036 139 G CA 1.218 46.263 45.100 -0.092 0.000 0.887 139 G HN 1.442 nan 8.290 nan 0.000 0.505 140 S N -2.270 113.350 115.700 -0.134 0.000 2.442 140 S HA 0.158 4.628 4.470 0.000 0.000 0.236 140 S C 0.936 175.475 174.600 -0.102 0.000 1.007 140 S CA 1.249 59.386 58.200 -0.106 0.000 0.965 140 S CB 0.379 63.552 63.200 -0.044 0.000 0.773 140 S HN 0.938 nan 8.310 nan 0.000 0.504 141 V N 3.680 123.521 119.914 -0.121 0.000 2.284 141 V HA 0.406 4.526 4.120 0.000 0.000 0.274 141 V C -2.566 173.436 176.094 -0.154 0.000 1.023 141 V CA -2.122 60.118 62.300 -0.100 0.000 0.808 141 V CB 0.831 32.628 31.823 -0.043 0.000 1.035 141 V HN 0.168 nan 8.190 nan 0.000 0.445 142 P HA 0.044 nan 4.420 nan 0.000 0.263 142 P C -0.617 176.511 177.300 -0.285 0.000 1.175 142 P CA 0.456 63.419 63.100 -0.229 0.000 0.761 142 P CB 0.494 32.140 31.700 -0.091 0.000 0.794 143 L N 4.507 125.464 121.223 -0.444 0.000 2.406 143 L HA 0.450 4.790 4.340 0.000 0.000 0.272 143 L C -1.113 175.485 176.870 -0.453 0.000 0.980 143 L CA -0.742 53.911 54.840 -0.312 0.000 0.831 143 L CB 1.058 43.010 42.059 -0.177 0.000 1.253 143 L HN 0.375 nan 8.230 nan 0.000 0.406 144 Y N 1.981 122.278 120.300 -0.005 0.000 2.587 144 Y HA 0.703 5.253 4.550 0.000 0.000 0.337 144 Y C 0.366 176.311 175.900 0.076 0.000 1.065 144 Y CA -0.519 57.604 58.100 0.037 0.000 1.126 144 Y CB 2.383 40.858 38.460 0.026 0.000 1.279 144 Y HN 0.431 nan 8.280 nan 0.000 0.489 145 T N 0.147 114.859 114.554 0.262 0.000 2.840 145 T HA 0.514 4.864 4.350 0.000 0.000 0.317 145 T C -2.104 172.703 174.700 0.178 0.000 1.401 145 T CA -0.504 61.712 62.100 0.192 0.000 1.028 145 T CB 0.534 69.484 68.868 0.135 0.000 1.317 145 T HN 0.705 nan 8.240 nan 0.000 0.495 146 C N 3.703 123.075 119.300 0.121 0.000 2.356 146 C HA 0.731 5.191 4.460 0.000 0.000 0.324 146 C C -0.344 174.667 174.990 0.035 0.000 1.167 146 C CA -0.773 58.281 59.018 0.060 0.000 1.420 146 C CB -0.106 27.660 27.740 0.042 0.000 2.036 146 C HN 0.718 nan 8.230 nan 0.000 0.435 147 V N 3.250 123.170 119.914 0.010 0.000 2.459 147 V HA 0.934 5.054 4.120 0.000 0.000 0.295 147 V C 0.246 176.430 176.094 0.150 0.000 1.029 147 V CA 0.017 62.349 62.300 0.054 0.000 0.874 147 V CB 1.625 33.468 31.823 0.032 0.000 0.985 147 V HN 1.021 nan 8.190 nan 0.000 0.438 148 A N 5.884 128.814 122.820 0.183 0.000 2.606 148 A HA 0.900 5.220 4.320 0.000 0.000 0.293 148 A C -3.170 174.497 177.584 0.139 0.000 1.082 148 A CA -1.782 50.429 52.037 0.291 0.000 0.685 148 A CB 1.926 21.189 19.000 0.438 0.000 1.284 148 A HN 0.594 nan 8.150 nan 0.000 0.408 149 P HA 0.242 nan 4.420 nan 0.000 0.258 149 P C 1.082 178.410 177.300 0.047 0.000 1.172 149 P CA 2.504 65.630 63.100 0.042 0.000 0.762 149 P CB 0.406 32.111 31.700 0.007 0.000 0.764 150 G N 2.125 110.948 108.800 0.039 0.000 2.205 150 G HA2 -0.266 3.694 3.960 0.000 0.000 0.261 150 G HA3 -0.266 3.694 3.960 0.000 0.000 0.261 150 G C 0.021 174.945 174.900 0.039 0.000 0.980 150 G CA 0.401 45.521 45.100 0.034 0.000 0.632 150 G HN 0.660 nan 8.290 nan 0.000 0.533 151 E N -0.829 119.403 120.200 0.053 0.000 2.321 151 E HA 0.592 4.942 4.350 0.000 0.000 0.281 151 E C -1.229 175.406 176.600 0.057 0.000 0.910 151 E CA -0.785 55.644 56.400 0.050 0.000 0.770 151 E CB 2.299 32.028 29.700 0.049 0.000 1.225 151 E HN 0.376 nan 8.360 nan 0.000 0.417 152 V N 4.381 124.325 119.914 0.050 0.000 2.525 152 V HA 0.565 4.685 4.120 0.000 0.000 0.299 152 V C -0.571 175.562 176.094 0.065 0.000 1.034 152 V CA -0.677 61.658 62.300 0.058 0.000 0.863 152 V CB 1.734 33.590 31.823 0.055 0.000 0.999 152 V HN 0.657 nan 8.190 nan 0.000 0.423 153 R N 2.740 123.289 120.500 0.081 0.000 2.562 153 R HA 0.882 5.222 4.340 0.000 0.000 0.298 153 R C -0.633 175.759 176.300 0.154 0.000 0.961 153 R CA -0.216 55.949 56.100 0.108 0.000 0.881 153 R CB 2.178 32.537 30.300 0.098 0.000 1.159 153 R HN 0.877 nan 8.270 nan 0.000 0.450 154 A N 1.356 124.304 122.820 0.212 0.000 2.398 154 A HA 0.702 5.022 4.320 0.000 0.000 0.301 154 A C -1.164 176.650 177.584 0.383 0.000 1.041 154 A CA -0.557 51.649 52.037 0.282 0.000 0.711 154 A CB 2.038 21.218 19.000 0.300 0.000 1.240 154 A HN 0.512 nan 8.150 nan 0.000 0.420 155 S N 0.030 115.893 115.700 0.271 0.000 2.564 155 S HA 0.590 5.060 4.470 0.000 0.000 0.274 155 S C 0.871 175.466 174.600 -0.008 0.000 1.124 155 S CA 0.310 58.613 58.200 0.171 0.000 0.869 155 S CB 1.397 64.747 63.200 0.250 0.000 1.105 155 S HN 1.302 nan 8.310 nan 0.000 0.472 156 T N 0.269 114.651 114.554 -0.285 0.000 3.148 156 T HA 0.303 4.654 4.350 0.000 0.000 0.253 156 T C 0.095 174.789 174.700 -0.010 0.000 1.134 156 T CA 0.328 62.259 62.100 -0.281 0.000 1.051 156 T CB -0.343 68.203 68.868 -0.537 0.000 0.959 156 T HN 0.601 nan 8.240 nan 0.000 0.525 157 E N -0.191 120.060 120.200 0.084 0.000 2.275 157 E HA 0.608 4.958 4.350 0.000 0.000 0.270 157 E C 0.492 176.996 176.600 -0.160 0.000 0.882 157 E CA -0.622 55.780 56.400 0.004 0.000 0.758 157 E CB 1.991 31.694 29.700 0.005 0.000 1.195 157 E HN 0.082 nan 8.360 nan 0.000 0.419 158 A N 3.619 126.043 122.820 -0.660 0.000 1.933 158 A HA -0.237 4.083 4.320 0.000 0.000 0.218 158 A C 1.956 179.317 177.584 -0.372 0.000 1.175 158 A CA 1.799 53.373 52.037 -0.772 0.000 0.628 158 A CB -0.472 17.852 19.000 -1.126 0.000 0.814 158 A HN 0.670 nan 8.150 nan 0.000 0.444 159 K N -0.277 119.926 120.400 -0.330 0.000 2.147 159 K HA 0.033 4.353 4.320 0.000 0.000 0.205 159 K C 1.871 178.323 176.600 -0.245 0.000 1.049 159 K CA 1.389 57.518 56.287 -0.265 0.000 0.936 159 K CB -0.508 31.842 32.500 -0.250 0.000 0.722 159 K HN 0.248 nan 8.250 nan 0.000 0.446 160 A N 1.375 124.072 122.820 -0.204 0.000 2.067 160 A HA 0.030 4.350 4.320 0.000 0.000 0.219 160 A C 2.078 179.447 177.584 -0.358 0.000 1.158 160 A CA 0.852 52.717 52.037 -0.288 0.000 0.661 160 A CB -0.390 18.500 19.000 -0.183 0.000 0.801 160 A HN 0.310 nan 8.150 nan 0.000 0.452 161 L N -1.616 119.494 121.223 -0.189 0.000 2.249 161 L HA 0.044 4.384 4.340 0.000 0.000 0.207 161 L C 2.850 179.646 176.870 -0.123 0.000 1.090 161 L CA 0.771 55.575 54.840 -0.059 0.000 0.802 161 L CB -0.220 41.862 42.059 0.039 0.000 0.947 161 L HN 0.380 nan 8.230 nan 0.000 0.453 162 A N -0.099 122.610 122.820 -0.185 0.000 2.021 162 A HA 0.060 4.380 4.320 0.000 0.000 0.216 162 A C 2.393 179.874 177.584 -0.171 0.000 1.163 162 A CA 1.034 52.986 52.037 -0.142 0.000 0.676 162 A CB -0.404 18.510 19.000 -0.143 0.000 0.818 162 A HN 0.314 nan 8.150 nan 0.000 0.453 163 A N -0.378 122.265 122.820 -0.296 0.000 2.186 163 A HA -0.035 4.285 4.320 0.000 0.000 0.219 163 A C 1.154 178.616 177.584 -0.203 0.000 1.159 163 A CA 0.657 52.536 52.037 -0.264 0.000 0.680 163 A CB -0.664 18.144 19.000 -0.321 0.000 0.787 163 A HN 0.613 nan 8.150 nan 0.000 0.467 164 H N -1.280 117.767 119.070 -0.039 0.000 2.408 164 H HA 0.386 4.943 4.556 0.000 0.000 0.345 164 H C 0.278 175.595 175.328 -0.018 0.000 1.547 164 H CA -0.485 55.548 56.048 -0.026 0.000 1.447 164 H CB 0.185 29.935 29.762 -0.021 0.000 1.686 164 H HN 0.136 nan 8.280 nan 0.000 0.625 165 R N 1.565 122.149 120.500 0.141 0.000 2.272 165 R HA 0.051 4.391 4.340 0.000 0.000 0.334 165 R C -0.949 175.386 176.300 0.059 0.000 1.117 165 R CA -0.170 55.972 56.100 0.070 0.000 0.966 165 R CB -1.003 29.326 30.300 0.049 0.000 1.049 165 R HN 0.683 nan 8.270 nan 0.000 0.477 166 D N 3.744 124.171 120.400 0.044 0.000 3.400 166 D HA -0.137 4.503 4.640 0.000 0.000 0.226 166 D C -2.283 174.034 176.300 0.029 0.000 1.152 166 D CA 0.085 54.105 54.000 0.034 0.000 1.008 166 D CB 0.106 40.930 40.800 0.040 0.000 0.866 166 D HN 0.382 nan 8.370 nan 0.000 0.402 167 P HA 0.013 nan 4.420 nan 0.000 0.261 167 P C -0.306 176.941 177.300 -0.088 0.000 1.183 167 P CA 0.112 63.212 63.100 -0.000 0.000 0.761 167 P CB 0.500 32.201 31.700 0.001 0.000 0.785 168 K N 2.724 123.067 120.400 -0.095 0.000 2.333 168 K HA 0.431 4.751 4.320 0.000 0.000 0.241 168 K C 0.377 176.696 176.600 -0.467 0.000 1.193 168 K CA -0.065 56.094 56.287 -0.213 0.000 1.142 168 K CB -0.266 32.256 32.500 0.036 0.000 1.731 168 K HN 0.508 nan 8.250 nan 0.000 0.344 169 G N 1.048 109.411 108.800 -0.729 0.000 2.530 169 G HA2 0.669 4.630 3.960 0.000 0.000 0.316 169 G HA3 0.669 4.630 3.960 0.000 0.000 0.316 169 G C -1.173 173.212 174.900 -0.859 0.000 1.298 169 G CA -0.509 44.268 45.100 -0.539 0.000 0.948 169 G HN 0.223 nan 8.290 nan 0.000 0.486 170 F N 1.389 121.294 119.950 -0.075 0.000 2.603 170 F HA 0.542 5.069 4.527 0.000 0.000 0.317 170 F C -1.891 173.485 175.800 -0.707 0.000 1.066 170 F CA -2.384 55.506 58.000 -0.184 0.000 0.941 170 F CB 2.347 41.304 39.000 -0.072 0.000 1.291 170 F HN 0.228 nan 8.300 nan 0.000 0.472 171 P HA 0.011 nan 4.420 nan 0.000 0.261 171 P C -1.078 176.036 177.300 -0.310 0.000 1.165 171 P CA 0.723 63.549 63.100 -0.457 0.000 0.759 171 P CB 0.516 32.216 31.700 0.001 0.000 0.772 172 L N 1.645 122.698 121.223 -0.283 0.000 2.371 172 L HA 0.599 4.939 4.340 0.000 0.000 0.262 172 L C 0.392 177.237 176.870 -0.041 0.000 1.006 172 L CA -1.516 53.247 54.840 -0.129 0.000 0.818 172 L CB 1.990 43.971 42.059 -0.129 0.000 1.354 172 L HN 0.264 nan 8.230 nan 0.000 0.415 173 A N 0.710 123.515 122.820 -0.026 0.000 2.515 173 A HA 0.202 4.522 4.320 0.000 0.000 0.263 173 A C 0.389 177.971 177.584 -0.003 0.000 1.096 173 A CA 0.268 52.297 52.037 -0.013 0.000 0.769 173 A CB -0.344 18.641 19.000 -0.025 0.000 1.040 173 A HN 0.897 nan 8.150 nan 0.000 0.505 174 D N -0.690 119.715 120.400 0.009 0.000 3.012 174 D HA -0.185 4.455 4.640 0.000 0.000 0.222 174 D C 0.254 176.571 176.300 0.029 0.000 1.167 174 D CA 1.809 55.818 54.000 0.014 0.000 0.854 174 D CB -1.315 39.486 40.800 0.002 0.000 1.107 174 D HN 1.074 nan 8.370 nan 0.000 0.421 175 A N 0.654 123.508 122.820 0.056 0.000 2.292 175 A HA 0.691 5.011 4.320 0.000 0.000 0.319 175 A C 0.482 178.204 177.584 0.231 0.000 1.206 175 A CA -0.657 51.449 52.037 0.114 0.000 0.835 175 A CB 0.927 19.990 19.000 0.105 0.000 1.164 175 A HN 0.200 nan 8.150 nan 0.000 0.505 176 R N 2.299 122.916 120.500 0.195 0.000 2.514 176 R HA 0.556 4.896 4.340 0.000 0.000 0.301 176 R C -0.212 176.085 176.300 -0.005 0.000 0.962 176 R CA -0.828 55.356 56.100 0.140 0.000 0.882 176 R CB 1.327 31.649 30.300 0.036 0.000 1.143 176 R HN 0.865 nan 8.270 nan 0.000 0.452 177 R N 1.311 121.644 120.500 -0.279 0.000 2.590 177 R HA 0.152 4.492 4.340 0.000 0.000 0.274 177 R C -0.702 175.400 176.300 -0.330 0.000 1.061 177 R CA -0.586 55.035 56.100 -0.799 0.000 1.081 177 R CB 0.635 30.477 30.300 -0.764 0.000 0.984 177 R HN 0.364 nan 8.270 nan 0.000 0.448 178 V N 3.273 123.023 119.914 -0.273 0.000 2.408 178 V HA 0.243 4.363 4.120 0.000 0.000 0.267 178 V C 0.844 176.869 176.094 -0.114 0.000 1.047 178 V CA -0.367 61.871 62.300 -0.102 0.000 0.937 178 V CB 0.669 32.496 31.823 0.006 0.000 0.999 178 V HN 0.960 nan 8.190 nan 0.000 0.472 179 A N 4.350 127.088 122.820 -0.137 0.000 2.511 179 A HA 0.510 4.830 4.320 0.000 0.000 0.242 179 A C 1.560 179.063 177.584 -0.134 0.000 1.069 179 A CA 0.686 52.636 52.037 -0.146 0.000 0.763 179 A CB -0.304 18.587 19.000 -0.181 0.000 1.001 179 A HN 2.069 nan 8.150 nan 0.000 0.498 180 G N 0.756 109.529 108.800 -0.045 0.000 2.241 180 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 180 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 180 G C 0.065 175.047 174.900 0.136 0.000 0.998 180 G CA 0.464 45.611 45.100 0.077 0.000 0.621 180 G HN 0.911 nan 8.290 nan 0.000 0.519 181 L N 0.373 121.643 121.223 0.078 0.000 2.256 181 L HA 0.860 5.200 4.340 0.000 0.000 0.261 181 L C 0.363 177.219 176.870 -0.023 0.000 1.022 181 L CA -0.516 54.344 54.840 0.033 0.000 0.828 181 L CB 2.348 44.423 42.059 0.026 0.000 1.374 181 L HN 0.328 nan 8.230 nan 0.000 0.436 182 T N -2.913 111.624 114.554 -0.028 0.000 2.881 182 T HA 0.585 4.936 4.350 0.000 0.000 0.290 182 T C 0.444 175.119 174.700 -0.042 0.000 1.000 182 T CA -0.027 62.053 62.100 -0.033 0.000 0.978 182 T CB 1.671 70.537 68.868 -0.003 0.000 0.997 182 T HN 1.069 nan 8.240 nan 0.000 0.443 183 G N 1.363 110.137 108.800 -0.043 0.000 2.179 183 G HA2 -0.193 3.767 3.960 0.000 0.000 0.260 183 G HA3 -0.193 3.767 3.960 0.000 0.000 0.260 183 G C -0.069 174.861 174.900 0.049 0.000 0.977 183 G CA -0.004 45.062 45.100 -0.056 0.000 0.641 183 G HN 1.260 nan 8.290 nan 0.000 0.533 184 V N 0.828 120.741 119.914 -0.001 0.000 2.384 184 V HA 0.704 4.824 4.120 0.000 0.000 0.287 184 V C -0.430 175.658 176.094 -0.011 0.000 1.020 184 V CA -1.016 61.321 62.300 0.062 0.000 0.850 184 V CB 1.206 33.026 31.823 -0.004 0.000 0.987 184 V HN 0.227 nan 8.190 nan 0.000 0.436 185 Y N 2.243 122.603 120.300 0.100 0.000 2.468 185 Y HA 0.542 5.092 4.550 0.000 0.000 0.342 185 Y C 0.235 176.228 175.900 0.154 0.000 1.021 185 Y CA -0.768 57.396 58.100 0.107 0.000 1.079 185 Y CB 1.881 40.373 38.460 0.054 0.000 1.226 185 Y HN 0.575 nan 8.280 nan 0.000 0.460 186 Q N 1.921 121.840 119.800 0.199 0.000 2.278 186 Q HA 0.541 4.881 4.340 0.000 0.000 0.257 186 Q C -1.235 174.729 176.000 -0.061 0.000 0.928 186 Q CA -0.675 55.102 55.803 -0.042 0.000 0.932 186 Q CB 1.097 29.760 28.738 -0.125 0.000 1.221 186 Q HN 0.605 nan 8.270 nan 0.000 0.434 187 V N 6.574 126.409 119.914 -0.131 0.000 2.740 187 V HA 0.148 4.268 4.120 0.000 0.000 0.303 187 V C -2.016 174.014 176.094 -0.107 0.000 1.054 187 V CA -1.075 61.176 62.300 -0.082 0.000 1.106 187 V CB 0.613 32.382 31.823 -0.090 0.000 0.957 187 V HN 0.834 nan 8.190 nan 0.000 0.486 188 P HA 0.291 nan 4.420 nan 0.000 0.274 188 P C -0.446 176.829 177.300 -0.042 0.000 1.231 188 P CA -0.187 62.882 63.100 -0.052 0.000 0.790 188 P CB 0.532 32.221 31.700 -0.019 0.000 0.951 189 A N 2.047 124.854 122.820 -0.022 0.000 2.425 189 A HA 0.453 4.773 4.320 0.000 0.000 0.242 189 A C 1.139 178.803 177.584 0.133 0.000 1.077 189 A CA 0.369 52.437 52.037 0.051 0.000 0.781 189 A CB -1.253 17.849 19.000 0.170 0.000 1.020 189 A HN 0.852 nan 8.150 nan 0.000 0.494 190 G N -0.480 108.411 108.800 0.152 0.000 2.372 190 G HA2 0.315 4.275 3.960 0.000 0.000 0.290 190 G HA3 0.315 4.275 3.960 0.000 0.000 0.290 190 G C 0.227 175.249 174.900 0.203 0.000 0.965 190 G CA 0.857 46.115 45.100 0.263 0.000 1.263 190 G HN 2.416 nan 8.290 nan 0.000 0.498 191 A N -1.056 121.825 122.820 0.101 0.000 2.612 191 A HA 0.945 5.266 4.320 0.000 0.000 0.293 191 A C -0.673 176.914 177.584 0.004 0.000 1.075 191 A CA 0.040 52.130 52.037 0.088 0.000 0.680 191 A CB 2.141 21.178 19.000 0.062 0.000 1.279 191 A HN 1.953 nan 8.150 nan 0.000 0.411 192 V N 2.102 122.050 119.914 0.057 0.000 2.577 192 V HA 0.724 4.845 4.120 0.000 0.000 0.303 192 V C -0.893 175.256 176.094 0.091 0.000 1.042 192 V CA -0.621 61.673 62.300 -0.010 0.000 0.872 192 V CB 1.501 33.363 31.823 0.065 0.000 0.998 192 V HN 0.876 nan 8.190 nan 0.000 0.423 193 M N 5.586 125.213 119.600 0.046 0.000 2.180 193 M HA 0.455 4.936 4.480 0.000 0.000 0.350 193 M C -0.961 175.394 176.300 0.093 0.000 1.125 193 M CA -0.377 54.968 55.300 0.075 0.000 1.031 193 M CB 1.391 34.013 32.600 0.036 0.000 1.623 193 M HN 0.617 nan 8.290 nan 0.000 0.451 194 D N 4.948 125.425 120.400 0.128 0.000 2.396 194 D HA 0.440 5.080 4.640 0.000 0.000 0.225 194 D C -1.108 175.239 176.300 0.077 0.000 1.121 194 D CA -0.159 53.907 54.000 0.111 0.000 0.853 194 D CB 0.532 41.421 40.800 0.148 0.000 1.043 194 D HN 0.480 nan 8.370 nan 0.000 0.500 195 I N 2.363 122.969 120.570 0.061 0.000 2.377 195 I HA 0.189 4.360 4.170 0.000 0.000 0.293 195 I C 0.116 176.258 176.117 0.041 0.000 0.987 195 I CA -0.964 60.364 61.300 0.047 0.000 1.185 195 I CB 1.712 39.738 38.000 0.043 0.000 1.341 195 I HN 0.206 nan 8.210 nan 0.000 0.455 196 D N 5.485 125.906 120.400 0.036 0.000 2.411 196 D HA 0.124 4.765 4.640 0.000 0.000 0.225 196 D C 0.871 177.189 176.300 0.029 0.000 1.156 196 D CA -0.427 53.592 54.000 0.030 0.000 0.874 196 D CB 0.999 41.815 40.800 0.026 0.000 1.034 196 D HN 0.416 nan 8.370 nan 0.000 0.502 197 L N 4.330 125.571 121.223 0.029 0.000 2.051 197 L HA -0.055 4.285 4.340 0.000 0.000 0.214 197 L C 2.000 178.886 176.870 0.027 0.000 1.076 197 L CA 2.558 57.416 54.840 0.030 0.000 0.758 197 L CB -0.846 41.228 42.059 0.026 0.000 0.890 197 L HN 0.589 nan 8.230 nan 0.000 0.433 198 G N -1.711 107.102 108.800 0.022 0.000 2.404 198 G HA2 -0.265 3.695 3.960 0.000 0.000 0.215 198 G HA3 -0.265 3.695 3.960 0.000 0.000 0.215 198 G C 1.562 176.471 174.900 0.015 0.000 1.174 198 G CA 1.027 46.138 45.100 0.017 0.000 0.780 198 G HN 0.596 nan 8.290 nan 0.000 0.537 199 S N -0.498 115.210 115.700 0.014 0.000 2.470 199 S HA 0.316 4.786 4.470 0.000 0.000 0.225 199 S C 1.951 176.557 174.600 0.010 0.000 1.006 199 S CA 1.126 59.330 58.200 0.008 0.000 0.934 199 S CB -0.176 63.028 63.200 0.006 0.000 0.778 199 S HN 1.625 nan 8.310 nan 0.000 0.517 200 G N 1.541 110.355 108.800 0.023 0.000 2.147 200 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 200 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 200 G C 0.156 175.071 174.900 0.026 0.000 1.005 200 G CA 0.527 45.650 45.100 0.037 0.000 0.713 200 G HN 1.207 nan 8.290 nan 0.000 0.515 201 T N -2.537 112.026 114.554 0.016 0.000 2.952 201 T HA 0.976 5.327 4.350 0.000 0.000 0.286 201 T C -0.038 174.670 174.700 0.014 0.000 1.024 201 T CA 0.295 62.400 62.100 0.008 0.000 1.029 201 T CB 2.648 71.519 68.868 0.004 0.000 1.094 201 T HN 1.893 nan 8.240 nan 0.000 0.515 202 A N 0.642 123.467 122.820 0.008 0.000 2.606 202 A HA 0.734 5.054 4.320 0.000 0.000 0.293 202 A C -1.327 176.262 177.584 0.008 0.000 1.082 202 A CA -0.839 51.208 52.037 0.017 0.000 0.685 202 A CB 1.685 20.695 19.000 0.017 0.000 1.284 202 A HN 0.914 nan 8.150 nan 0.000 0.408 203 V N 1.142 121.070 119.914 0.023 0.000 2.487 203 V HA 0.606 4.726 4.120 0.000 0.000 0.298 203 V C -0.139 175.939 176.094 -0.027 0.000 1.028 203 V CA -0.352 61.933 62.300 -0.025 0.000 0.860 203 V CB 1.806 33.627 31.823 -0.004 0.000 0.991 203 V HN 0.935 nan 8.190 nan 0.000 0.427 204 T N 4.420 118.912 114.554 -0.103 0.000 2.829 204 T HA 0.527 4.878 4.350 0.000 0.000 0.282 204 T C -0.596 174.001 174.700 -0.171 0.000 0.990 204 T CA -0.372 61.700 62.100 -0.046 0.000 1.028 204 T CB 0.440 69.297 68.868 -0.017 0.000 0.951 204 T HN 0.638 nan 8.240 nan 0.000 0.460 205 H N 2.583 121.682 119.070 0.049 0.000 2.547 205 H HA 0.360 4.916 4.556 0.000 0.000 0.342 205 H C -0.151 175.231 175.328 0.091 0.000 1.048 205 H CA -1.054 55.037 56.048 0.072 0.000 1.204 205 H CB 1.289 31.098 29.762 0.078 0.000 1.493 205 H HN 0.175 nan 8.280 nan 0.000 0.511 206 R N 1.632 122.243 120.500 0.185 0.000 2.340 206 R HA 0.086 4.426 4.340 0.000 0.000 0.300 206 R C 1.072 177.507 176.300 0.225 0.000 1.069 206 R CA -0.249 55.954 56.100 0.173 0.000 0.984 206 R CB 0.307 30.677 30.300 0.116 0.000 1.003 206 R HN 0.748 nan 8.270 nan 0.000 0.459 207 T N -2.318 112.396 114.554 0.268 0.000 3.054 207 T HA 0.246 4.596 4.350 0.000 0.000 0.255 207 T C 0.010 174.956 174.700 0.411 0.000 1.035 207 T CA -0.518 61.772 62.100 0.317 0.000 0.941 207 T CB 0.160 69.233 68.868 0.342 0.000 1.026 207 T HN 0.617 nan 8.240 nan 0.000 0.533 208 W N 0.427 121.821 121.300 0.158 0.000 3.736 208 W HA 0.507 5.167 4.660 0.000 0.000 0.276 208 W C -2.143 174.465 176.519 0.148 0.000 1.268 208 W CA -0.470 56.970 57.345 0.157 0.000 1.216 208 W CB 0.886 30.475 29.460 0.214 0.000 1.284 208 W HN 0.021 nan 8.180 nan 0.000 0.562 209 T N 4.982 119.084 114.554 -0.753 0.000 2.923 209 T HA 0.580 4.931 4.350 0.000 0.000 0.311 209 T C -2.894 171.023 174.700 -1.305 0.000 1.183 209 T CA -1.329 60.352 62.100 -0.698 0.000 1.020 209 T CB 1.549 70.244 68.868 -0.289 0.000 1.165 209 T HN 0.149 nan 8.240 nan 0.000 0.482 210 P HA 0.293 nan 4.420 nan 0.000 0.268 210 P C 0.105 177.190 177.300 -0.359 0.000 1.204 210 P CA -0.035 62.693 63.100 -0.619 0.000 0.768 210 P CB 0.323 31.945 31.700 -0.130 0.000 0.842 211 G N 2.150 110.802 108.800 -0.247 0.000 2.432 211 G HA2 0.144 4.104 3.960 0.000 0.000 0.239 211 G HA3 0.144 4.104 3.960 0.000 0.000 0.239 211 G C 0.577 175.427 174.900 -0.084 0.000 1.291 211 G CA -0.348 44.667 45.100 -0.140 0.000 0.863 211 G HN 0.507 nan 8.290 nan 0.000 0.560 212 L N 1.374 122.558 121.223 -0.065 0.000 2.575 212 L HA 0.151 4.491 4.340 0.000 0.000 0.228 212 L C 1.606 178.463 176.870 -0.022 0.000 1.075 212 L CA 0.138 54.956 54.840 -0.036 0.000 0.867 212 L CB -0.124 41.915 42.059 -0.033 0.000 1.097 212 L HN 0.591 nan 8.230 nan 0.000 0.485 213 S N 0.155 115.840 115.700 -0.025 0.000 2.693 213 S HA 0.581 5.051 4.470 0.000 0.000 0.276 213 S C -0.055 174.538 174.600 -0.012 0.000 1.192 213 S CA -0.835 57.356 58.200 -0.015 0.000 0.994 213 S CB 1.651 64.843 63.200 -0.015 0.000 1.012 213 S HN 0.060 nan 8.310 nan 0.000 0.550 214 R N 0.499 120.995 120.500 -0.007 0.000 2.686 214 R HA 0.475 4.815 4.340 0.000 0.000 0.286 214 R C -0.888 175.412 176.300 -0.001 0.000 0.969 214 R CA -0.609 55.489 56.100 -0.004 0.000 0.898 214 R CB 1.816 32.113 30.300 -0.004 0.000 1.183 214 R HN 0.839 nan 8.270 nan 0.000 0.456 215 R N 3.051 123.553 120.500 0.003 0.000 2.288 215 R HA 0.409 4.749 4.340 0.000 0.000 0.326 215 R C -0.368 175.938 176.300 0.009 0.000 0.959 215 R CA -0.460 55.644 56.100 0.006 0.000 0.834 215 R CB 0.656 30.961 30.300 0.008 0.000 1.157 215 R HN 0.588 nan 8.270 nan 0.000 0.470 216 I N 6.125 126.699 120.570 0.008 0.000 2.556 216 I HA 0.121 4.292 4.170 0.000 0.000 0.284 216 I C -0.217 175.909 176.117 0.015 0.000 1.114 216 I CA 0.134 61.440 61.300 0.011 0.000 1.418 216 I CB 0.635 38.639 38.000 0.006 0.000 1.394 216 I HN 0.480 nan 8.210 nan 0.000 0.552 217 L N 7.537 128.773 121.223 0.021 0.000 2.388 217 L HA 0.498 4.838 4.340 0.000 0.000 0.264 217 L C -2.398 174.491 176.870 0.031 0.000 0.998 217 L CA -2.081 52.773 54.840 0.025 0.000 0.817 217 L CB 1.818 43.894 42.059 0.027 0.000 1.338 217 L HN 0.314 nan 8.230 nan 0.000 0.414 218 P HA 0.008 nan 4.420 nan 0.000 0.260 218 P C 0.252 177.582 177.300 0.051 0.000 1.185 218 P CA 0.163 63.284 63.100 0.035 0.000 0.763 218 P CB 0.474 32.192 31.700 0.030 0.000 0.776 219 E N 2.468 122.707 120.200 0.065 0.000 2.136 219 E HA -0.246 4.104 4.350 0.000 0.000 0.202 219 E C 2.140 178.809 176.600 0.114 0.000 1.019 219 E CA 1.735 58.199 56.400 0.107 0.000 0.819 219 E CB -0.555 29.220 29.700 0.123 0.000 0.739 219 E HN 0.677 nan 8.360 nan 0.000 0.458 220 G N 1.249 110.102 108.800 0.089 0.000 2.418 220 G HA2 -0.324 3.636 3.960 0.000 0.000 0.217 220 G HA3 -0.324 3.636 3.960 0.000 0.000 0.217 220 G C 1.423 176.355 174.900 0.052 0.000 1.158 220 G CA 0.883 46.028 45.100 0.075 0.000 0.771 220 G HN 0.322 nan 8.290 nan 0.000 0.545 221 E N 0.386 120.612 120.200 0.044 0.000 2.208 221 E HA 0.093 4.443 4.350 0.000 0.000 0.193 221 E C 2.668 179.287 176.600 0.032 0.000 0.988 221 E CA 0.778 57.197 56.400 0.032 0.000 0.828 221 E CB -0.171 29.546 29.700 0.027 0.000 0.763 221 E HN 0.335 nan 8.360 nan 0.000 0.478 222 A N 0.586 123.432 122.820 0.044 0.000 1.873 222 A HA -0.112 4.208 4.320 0.000 0.000 0.215 222 A C 2.378 179.979 177.584 0.029 0.000 1.186 222 A CA 1.353 53.416 52.037 0.042 0.000 0.616 222 A CB -0.694 18.344 19.000 0.063 0.000 0.823 222 A HN 0.208 nan 8.150 nan 0.000 0.442 223 V N -0.017 119.915 119.914 0.031 0.000 2.343 223 V HA -0.255 3.865 4.120 0.000 0.000 0.247 223 V C 3.032 179.113 176.094 -0.023 0.000 1.051 223 V CA 1.985 64.273 62.300 -0.020 0.000 1.036 223 V CB -1.236 30.562 31.823 -0.042 0.000 0.654 223 V HN 0.612 nan 8.190 nan 0.000 0.451 224 A N -0.117 122.701 122.820 -0.003 0.000 1.930 224 A HA -0.038 4.282 4.320 0.000 0.000 0.217 224 A C 2.394 179.977 177.584 -0.002 0.000 1.175 224 A CA 1.842 53.877 52.037 -0.003 0.000 0.627 224 A CB -0.655 18.349 19.000 0.007 0.000 0.815 224 A HN 0.563 nan 8.150 nan 0.000 0.443 225 A N -0.584 122.238 122.820 0.004 0.000 1.969 225 A HA 0.060 4.380 4.320 0.000 0.000 0.218 225 A C 2.179 179.764 177.584 0.002 0.000 1.169 225 A CA 1.600 53.640 52.037 0.005 0.000 0.635 225 A CB -0.729 18.277 19.000 0.011 0.000 0.810 225 A HN 0.340 nan 8.150 nan 0.000 0.445 226 V N 0.054 119.968 119.914 0.000 0.000 2.358 226 V HA -0.222 3.898 4.120 0.000 0.000 0.246 226 V C 2.681 178.775 176.094 -0.000 0.000 1.047 226 V CA 2.311 64.613 62.300 0.003 0.000 1.035 226 V CB -0.756 31.064 31.823 -0.005 0.000 0.658 226 V HN 0.632 nan 8.190 nan 0.000 0.452 227 R N 1.191 121.684 120.500 -0.011 0.000 2.073 227 R HA -0.078 4.262 4.340 0.000 0.000 0.234 227 R C 2.171 178.462 176.300 -0.014 0.000 1.134 227 R CA 2.054 58.146 56.100 -0.014 0.000 0.952 227 R CB -1.135 29.154 30.300 -0.019 0.000 0.850 227 R HN 0.422 nan 8.270 nan 0.000 0.433 228 A N 0.345 123.159 122.820 -0.011 0.000 1.877 228 A HA -0.048 4.273 4.320 0.000 0.000 0.216 228 A C 2.409 179.982 177.584 -0.018 0.000 1.186 228 A CA 2.009 54.039 52.037 -0.012 0.000 0.620 228 A CB -1.202 17.794 19.000 -0.006 0.000 0.822 228 A HN 0.500 nan 8.150 nan 0.000 0.443 229 A N -0.530 122.281 122.820 -0.015 0.000 1.865 229 A HA -0.087 4.233 4.320 0.000 0.000 0.217 229 A C 2.176 179.735 177.584 -0.042 0.000 1.191 229 A CA 1.865 53.889 52.037 -0.021 0.000 0.623 229 A CB -0.719 18.275 19.000 -0.011 0.000 0.826 229 A HN 0.724 nan 8.150 nan 0.000 0.444 230 L N -0.342 120.854 121.223 -0.044 0.000 2.046 230 L HA -0.121 4.219 4.340 0.000 0.000 0.208 230 L C 2.261 179.073 176.870 -0.097 0.000 1.077 230 L CA 2.683 57.468 54.840 -0.093 0.000 0.747 230 L CB -0.626 41.381 42.059 -0.086 0.000 0.896 230 L HN 0.466 nan 8.230 nan 0.000 0.432 231 E N -0.005 120.159 120.200 -0.060 0.000 2.085 231 E HA -0.297 4.053 4.350 0.000 0.000 0.194 231 E C 2.270 178.838 176.600 -0.053 0.000 0.994 231 E CA 1.874 58.245 56.400 -0.049 0.000 0.801 231 E CB -0.185 29.499 29.700 -0.028 0.000 0.743 231 E HN 0.524 nan 8.360 nan 0.000 0.453 232 K N -0.630 119.740 120.400 -0.050 0.000 2.031 232 K HA -0.026 4.294 4.320 0.000 0.000 0.205 232 K C 2.082 178.638 176.600 -0.073 0.000 1.049 232 K CA 1.084 57.343 56.287 -0.046 0.000 0.939 232 K CB -0.258 32.224 32.500 -0.031 0.000 0.717 232 K HN 0.140 nan 8.250 nan 0.000 0.438 233 A N 0.857 123.617 122.820 -0.099 0.000 1.908 233 A HA -0.133 4.187 4.320 0.000 0.000 0.218 233 A C 2.231 179.689 177.584 -0.210 0.000 1.181 233 A CA 1.829 53.772 52.037 -0.157 0.000 0.627 233 A CB -0.725 18.182 19.000 -0.156 0.000 0.818 233 A HN 0.195 nan 8.150 nan 0.000 0.445 234 V N -0.396 119.419 119.914 -0.166 0.000 2.358 234 V HA -0.198 3.922 4.120 0.000 0.000 0.246 234 V C 3.039 179.071 176.094 -0.104 0.000 1.047 234 V CA 1.830 64.042 62.300 -0.147 0.000 1.035 234 V CB -1.149 30.604 31.823 -0.117 0.000 0.658 234 V HN 0.619 nan 8.190 nan 0.000 0.452 235 A N -0.925 121.850 122.820 -0.075 0.000 1.972 235 A HA -0.280 4.040 4.320 0.000 0.000 0.219 235 A C 2.154 179.722 177.584 -0.027 0.000 1.169 235 A CA 1.816 53.828 52.037 -0.041 0.000 0.635 235 A CB -0.459 18.524 19.000 -0.030 0.000 0.810 235 A HN 0.624 nan 8.150 nan 0.000 0.446 236 Q N -0.884 118.887 119.800 -0.049 0.000 2.224 236 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 236 Q C 1.837 177.861 176.000 0.039 0.000 0.970 236 Q CA 1.137 56.946 55.803 0.010 0.000 0.865 236 Q CB -0.052 28.688 28.738 0.004 0.000 0.922 236 Q HN 0.615 nan 8.270 nan 0.000 0.445 237 R N -0.319 120.111 120.500 -0.116 0.000 2.317 237 R HA 0.131 4.471 4.340 0.000 0.000 0.208 237 R C -0.321 176.016 176.300 0.062 0.000 0.914 237 R CA -0.080 55.992 56.100 -0.048 0.000 1.060 237 R CB 0.714 30.877 30.300 -0.229 0.000 1.015 237 R HN -0.045 nan 8.270 nan 0.000 0.498 238 V N 1.272 121.209 119.914 0.038 0.000 2.472 238 V HA 0.179 4.299 4.120 0.000 0.000 0.290 238 V C 0.213 176.340 176.094 0.054 0.000 1.037 238 V CA -0.548 61.779 62.300 0.044 0.000 0.908 238 V CB 1.914 33.744 31.823 0.013 0.000 0.985 238 V HN 0.059 nan 8.190 nan 0.000 0.454 239 T N 7.486 122.075 114.554 0.058 0.000 2.771 239 T HA 0.317 4.668 4.350 0.000 0.000 0.291 239 T C -2.387 172.329 174.700 0.027 0.000 0.954 239 T CA -0.912 61.215 62.100 0.045 0.000 1.045 239 T CB 1.148 70.044 68.868 0.047 0.000 0.917 239 T HN 0.535 nan 8.240 nan 0.000 0.484 240 P HA 0.203 nan 4.420 nan 0.000 0.267 240 P C 0.922 178.226 177.300 0.007 0.000 1.205 240 P CA 0.306 63.410 63.100 0.008 0.000 0.765 240 P CB 0.626 32.329 31.700 0.004 0.000 0.828 241 G N 1.924 110.727 108.800 0.004 0.000 2.176 241 G HA2 -0.218 3.742 3.960 0.000 0.000 0.253 241 G HA3 -0.218 3.742 3.960 0.000 0.000 0.253 241 G C -0.218 174.689 174.900 0.012 0.000 0.979 241 G CA 0.366 45.470 45.100 0.005 0.000 0.641 241 G HN 0.736 nan 8.290 nan 0.000 0.530 242 D N -0.022 120.389 120.400 0.018 0.000 2.649 242 D HA 0.593 5.233 4.640 0.000 0.000 0.249 242 D C -0.064 176.253 176.300 0.030 0.000 1.112 242 D CA -0.220 53.797 54.000 0.028 0.000 0.850 242 D CB 1.291 42.115 40.800 0.039 0.000 1.399 242 D HN -0.040 nan 8.370 nan 0.000 0.503 243 T N 5.492 120.065 114.554 0.032 0.000 2.749 243 T HA 0.389 4.739 4.350 0.000 0.000 0.295 243 T C -2.213 172.516 174.700 0.049 0.000 0.936 243 T CA -0.968 61.152 62.100 0.033 0.000 1.060 243 T CB 1.271 70.159 68.868 0.033 0.000 0.904 243 T HN 0.350 nan 8.240 nan 0.000 0.500 244 P HA 0.353 nan 4.420 nan 0.000 0.276 244 P C -0.966 176.370 177.300 0.059 0.000 1.252 244 P CA -0.800 62.336 63.100 0.060 0.000 0.802 244 P CB 0.916 32.648 31.700 0.053 0.000 1.035 245 L N 1.727 122.985 121.223 0.059 0.000 2.307 245 L HA 0.454 4.794 4.340 0.000 0.000 0.284 245 L C -0.952 175.951 176.870 0.055 0.000 1.023 245 L CA -0.639 54.232 54.840 0.052 0.000 0.810 245 L CB 1.571 43.650 42.059 0.034 0.000 1.231 245 L HN 0.066 nan 8.230 nan 0.000 0.423 246 V N 5.397 125.351 119.914 0.067 0.000 2.487 246 V HA 0.373 4.493 4.120 0.000 0.000 0.298 246 V C -0.380 175.769 176.094 0.092 0.000 1.028 246 V CA -0.871 61.474 62.300 0.075 0.000 0.860 246 V CB 2.022 33.889 31.823 0.074 0.000 0.991 246 V HN 0.621 nan 8.190 nan 0.000 0.427 247 V N 4.414 124.390 119.914 0.103 0.000 2.446 247 V HA 0.502 4.622 4.120 0.000 0.000 0.276 247 V C -0.388 175.775 176.094 0.115 0.000 1.030 247 V CA -0.132 62.232 62.300 0.106 0.000 1.033 247 V CB 0.770 32.665 31.823 0.119 0.000 0.993 247 V HN 0.614 nan 8.190 nan 0.000 0.477 248 L N 5.130 126.431 121.223 0.130 0.000 2.333 248 L HA 0.661 5.001 4.340 0.000 0.000 0.280 248 L C 0.980 177.930 176.870 0.133 0.000 1.004 248 L CA 0.894 55.810 54.840 0.127 0.000 0.820 248 L CB 2.186 44.322 42.059 0.129 0.000 1.247 248 L HN 0.883 nan 8.230 nan 0.000 0.416 249 S N 1.792 117.550 115.700 0.097 0.000 2.506 249 S HA 0.426 4.897 4.470 0.000 0.000 0.219 249 S C 1.112 175.753 174.600 0.068 0.000 1.031 249 S CA 0.394 58.646 58.200 0.088 0.000 0.911 249 S CB 0.425 63.658 63.200 0.055 0.000 0.812 249 S HN 1.495 nan 8.310 nan 0.000 0.497 250 G N 0.496 109.324 108.800 0.048 0.000 2.218 250 G HA2 -0.031 3.930 3.960 0.000 0.000 0.216 250 G HA3 -0.031 3.930 3.960 0.000 0.000 0.216 250 G C 0.499 175.403 174.900 0.008 0.000 0.994 250 G CA -0.157 44.956 45.100 0.023 0.000 0.637 250 G HN 1.034 nan 8.290 nan 0.000 0.505 251 G N -0.298 108.508 108.800 0.010 0.000 2.616 251 G HA2 0.519 4.479 3.960 0.000 0.000 0.268 251 G HA3 0.519 4.479 3.960 0.000 0.000 0.268 251 G C 1.144 176.043 174.900 -0.003 0.000 1.213 251 G CA 0.164 45.260 45.100 -0.006 0.000 0.926 251 G HN 0.699 nan 8.290 nan 0.000 0.523 252 I N -0.244 120.316 120.570 -0.018 0.000 2.286 252 I HA -0.095 4.075 4.170 0.000 0.000 0.248 252 I C 1.982 178.115 176.117 0.027 0.000 1.115 252 I CA 1.475 62.767 61.300 -0.013 0.000 1.392 252 I CB -0.226 37.751 38.000 -0.040 0.000 1.065 252 I HN 0.455 nan 8.210 nan 0.000 0.418 253 D N 0.282 120.683 120.400 0.002 0.000 2.088 253 D HA -0.197 4.443 4.640 0.000 0.000 0.191 253 D C 2.458 178.917 176.300 0.266 0.000 0.992 253 D CA 2.195 56.234 54.000 0.066 0.000 0.831 253 D CB -0.737 40.010 40.800 -0.089 0.000 0.973 253 D HN 0.508 nan 8.370 nan 0.000 0.447 254 S N -0.211 115.585 115.700 0.160 0.000 2.423 254 S HA -0.046 4.424 4.470 0.000 0.000 0.231 254 S C 2.076 176.740 174.600 0.106 0.000 1.014 254 S CA 0.961 59.251 58.200 0.150 0.000 0.965 254 S CB -0.178 63.089 63.200 0.113 0.000 0.785 254 S HN 0.022 nan 8.310 nan 0.000 0.495 255 S N 1.774 117.521 115.700 0.079 0.000 2.387 255 S HA 0.112 4.582 4.470 0.000 0.000 0.226 255 S C 2.146 176.777 174.600 0.051 0.000 1.026 255 S CA 0.938 59.165 58.200 0.045 0.000 0.972 255 S CB -0.995 62.212 63.200 0.010 0.000 0.814 255 S HN 0.743 nan 8.310 nan 0.000 0.477 256 G N 1.467 110.318 108.800 0.086 0.000 2.421 256 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 256 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 256 G C 1.471 176.393 174.900 0.038 0.000 1.171 256 G CA 0.997 46.146 45.100 0.081 0.000 0.775 256 G HN 0.399 nan 8.290 nan 0.000 0.543 257 V N 1.650 121.580 119.914 0.027 0.000 2.287 257 V HA -0.169 3.952 4.120 0.000 0.000 0.248 257 V C 3.360 179.456 176.094 0.003 0.000 1.053 257 V CA 2.132 64.401 62.300 -0.050 0.000 1.027 257 V CB -0.916 30.873 31.823 -0.057 0.000 0.646 257 V HN 0.492 nan 8.190 nan 0.000 0.447 258 A N -0.048 122.796 122.820 0.040 0.000 1.883 258 A HA -0.188 4.132 4.320 0.000 0.000 0.217 258 A C 2.438 180.067 177.584 0.075 0.000 1.186 258 A CA 2.350 54.422 52.037 0.058 0.000 0.624 258 A CB -0.887 18.147 19.000 0.056 0.000 0.822 258 A HN 0.601 nan 8.150 nan 0.000 0.444 259 A N -1.109 121.748 122.820 0.061 0.000 1.902 259 A HA -0.182 4.138 4.320 0.000 0.000 0.217 259 A C 2.334 179.969 177.584 0.085 0.000 1.181 259 A CA 1.768 53.852 52.037 0.078 0.000 0.623 259 A CB -1.264 17.769 19.000 0.055 0.000 0.818 259 A HN 0.617 nan 8.150 nan 0.000 0.443 260 C N -1.213 118.110 119.300 0.039 0.000 2.446 260 C HA 0.123 4.583 4.460 0.000 0.000 0.277 260 C C 3.338 178.338 174.990 0.017 0.000 1.275 260 C CA 0.650 59.676 59.018 0.013 0.000 1.727 260 C CB -1.304 26.416 27.740 -0.034 0.000 2.010 260 C HN 0.708 nan 8.230 nan 0.000 0.486 261 A N 0.158 122.992 122.820 0.024 0.000 1.877 261 A HA -0.267 4.053 4.320 0.000 0.000 0.216 261 A C 1.879 179.488 177.584 0.043 0.000 1.186 261 A CA 2.358 54.409 52.037 0.023 0.000 0.620 261 A CB -1.143 17.876 19.000 0.032 0.000 0.822 261 A HN 0.775 nan 8.150 nan 0.000 0.443 262 H N -0.324 118.750 119.070 0.006 0.000 2.319 262 H HA -0.152 4.404 4.556 0.000 0.000 0.297 262 H C 2.225 177.556 175.328 0.004 0.000 1.097 262 H CA 2.219 58.273 56.048 0.010 0.000 1.285 262 H CB -0.185 29.586 29.762 0.015 0.000 1.368 262 H HN 0.424 nan 8.280 nan 0.000 0.495 263 R N -0.001 120.501 120.500 0.004 0.000 2.091 263 R HA -0.133 4.207 4.340 0.000 0.000 0.238 263 R C 2.274 178.523 176.300 -0.085 0.000 1.136 263 R CA 1.307 57.380 56.100 -0.045 0.000 0.959 263 R CB -0.451 29.862 30.300 0.022 0.000 0.856 263 R HN 0.464 nan 8.270 nan 0.000 0.437 264 A N -0.048 122.737 122.820 -0.059 0.000 1.968 264 A HA 0.049 4.369 4.320 0.000 0.000 0.217 264 A C 2.026 179.571 177.584 -0.065 0.000 1.169 264 A CA 1.383 53.389 52.037 -0.051 0.000 0.638 264 A CB -0.196 18.785 19.000 -0.033 0.000 0.812 264 A HN 0.494 nan 8.150 nan 0.000 0.446 265 A N -2.606 120.158 122.820 -0.093 0.000 2.197 265 A HA 0.448 4.768 4.320 0.000 0.000 0.210 265 A C 1.853 179.356 177.584 -0.135 0.000 1.180 265 A CA 1.141 53.127 52.037 -0.085 0.000 0.846 265 A CB -0.384 18.588 19.000 -0.048 0.000 0.884 265 A HN 1.747 nan 8.150 nan 0.000 0.487 266 G N -0.368 108.279 108.800 -0.255 0.000 2.225 266 G HA2 -0.258 3.702 3.960 0.000 0.000 0.254 266 G HA3 -0.258 3.702 3.960 0.000 0.000 0.254 266 G C -0.003 174.688 174.900 -0.349 0.000 0.988 266 G CA 0.864 45.795 45.100 -0.280 0.000 0.625 266 G HN 1.281 nan 8.290 nan 0.000 0.527 267 E N -1.798 118.228 120.200 -0.290 0.000 2.439 267 E HA 0.787 5.137 4.350 0.000 0.000 0.279 267 E C -1.509 175.136 176.600 0.074 0.000 1.077 267 E CA -1.171 55.204 56.400 -0.042 0.000 0.849 267 E CB 1.504 31.217 29.700 0.022 0.000 1.408 267 E HN 0.960 nan 8.360 nan 0.000 0.457 268 L N 0.446 121.780 121.223 0.185 0.000 2.622 268 L HA 0.548 4.888 4.340 0.000 0.000 0.258 268 L C -2.176 174.762 176.870 0.112 0.000 0.996 268 L CA -0.294 54.634 54.840 0.146 0.000 0.858 268 L CB 2.429 44.609 42.059 0.202 0.000 1.449 268 L HN 0.665 nan 8.230 nan 0.000 0.411 269 D N 0.966 121.419 120.400 0.089 0.000 2.248 269 D HA 0.798 5.438 4.640 0.000 0.000 0.246 269 D C -0.844 175.511 176.300 0.092 0.000 1.027 269 D CA 0.149 54.196 54.000 0.078 0.000 0.853 269 D CB 2.151 42.984 40.800 0.055 0.000 1.243 269 D HN 0.705 nan 8.370 nan 0.000 0.462 270 T N -2.119 112.507 114.554 0.120 0.000 2.903 270 T HA 0.723 5.073 4.350 0.000 0.000 0.299 270 T C -1.003 173.766 174.700 0.115 0.000 1.093 270 T CA -0.926 61.280 62.100 0.176 0.000 1.002 270 T CB 1.638 70.673 68.868 0.279 0.000 1.127 270 T HN 0.168 nan 8.240 nan 0.000 0.488 271 V N 0.933 120.887 119.914 0.066 0.000 2.808 271 V HA 0.772 4.892 4.120 0.000 0.000 0.308 271 V C -1.267 174.836 176.094 0.016 0.000 1.099 271 V CA -0.290 61.941 62.300 -0.115 0.000 0.920 271 V CB 2.321 34.093 31.823 -0.086 0.000 1.014 271 V HN 1.225 nan 8.190 nan 0.000 0.425 272 S N 7.200 122.874 115.700 -0.043 0.000 2.536 272 S HA 0.728 5.198 4.470 0.000 0.000 0.298 272 S C -0.857 173.848 174.600 0.176 0.000 1.083 272 S CA -0.587 57.716 58.200 0.170 0.000 0.995 272 S CB 1.727 65.155 63.200 0.381 0.000 1.058 272 S HN 0.804 nan 8.310 nan 0.000 0.488 273 M N 2.626 122.366 119.600 0.234 0.000 2.393 273 M HA 0.668 5.149 4.480 0.000 0.000 0.316 273 M C -0.363 176.069 176.300 0.221 0.000 1.087 273 M CA -0.289 55.132 55.300 0.203 0.000 0.937 273 M CB 1.220 33.850 32.600 0.050 0.000 1.668 273 M HN 0.887 nan 8.290 nan 0.000 0.438 274 G N 1.973 110.904 108.800 0.219 0.000 2.672 274 G HA2 0.744 4.704 3.960 0.000 0.000 0.292 274 G HA3 0.744 4.704 3.960 0.000 0.000 0.292 274 G C -0.967 173.920 174.900 -0.022 0.000 1.375 274 G CA -0.435 44.616 45.100 -0.082 0.000 0.890 274 G HN 0.758 nan 8.290 nan 0.000 0.476 275 T N -2.308 112.193 114.554 -0.087 0.000 2.905 275 T HA 0.467 4.817 4.350 0.000 0.000 0.283 275 T C 0.531 175.206 174.700 -0.042 0.000 1.031 275 T CA -0.028 62.050 62.100 -0.037 0.000 1.002 275 T CB 1.935 70.785 68.868 -0.030 0.000 1.200 275 T HN 0.500 nan 8.240 nan 0.000 0.560 276 D N -1.060 119.330 120.400 -0.015 0.000 2.338 276 D HA 0.015 4.655 4.640 0.000 0.000 0.239 276 D C 1.163 177.451 176.300 -0.021 0.000 1.095 276 D CA 0.300 54.294 54.000 -0.010 0.000 0.888 276 D CB -0.046 40.755 40.800 0.003 0.000 0.899 276 D HN 0.557 nan 8.370 nan 0.000 0.525 277 T N -1.476 113.057 114.554 -0.035 0.000 3.028 277 T HA 0.147 4.497 4.350 0.000 0.000 0.250 277 T C 0.190 174.857 174.700 -0.054 0.000 0.979 277 T CA 0.636 62.716 62.100 -0.033 0.000 1.004 277 T CB 0.224 69.081 68.868 -0.019 0.000 1.120 277 T HN 0.337 nan 8.240 nan 0.000 0.482 278 S N 1.158 116.806 115.700 -0.085 0.000 2.565 278 S HA 0.706 5.176 4.470 0.000 0.000 0.269 278 S C -1.491 172.980 174.600 -0.215 0.000 1.153 278 S CA -0.718 57.410 58.200 -0.120 0.000 0.835 278 S CB 2.053 65.206 63.200 -0.079 0.000 1.122 278 S HN 0.694 nan 8.310 nan 0.000 0.462 279 N N -0.364 118.168 118.700 -0.280 0.000 3.116 279 N HA 0.427 5.167 4.740 0.000 0.000 0.244 279 N C -1.545 173.771 175.510 -0.323 0.000 1.485 279 N CA -0.931 51.829 53.050 -0.483 0.000 0.884 279 N CB 0.887 38.694 38.487 -1.132 0.000 1.415 279 N HN 0.652 nan 8.380 nan 0.000 0.524 280 E N -0.643 119.396 120.200 -0.268 0.000 2.995 280 E HA 0.314 4.664 4.350 0.000 0.000 0.203 280 E C -0.227 176.449 176.600 0.128 0.000 0.980 280 E CA -0.314 56.057 56.400 -0.047 0.000 1.172 280 E CB -0.043 29.660 29.700 0.005 0.000 1.088 280 E HN 0.471 nan 8.360 nan 0.000 0.463 281 F N 0.720 120.692 119.950 0.036 0.000 2.102 281 F HA -0.208 4.319 4.527 0.000 0.000 0.298 281 F C 2.664 178.477 175.800 0.023 0.000 1.105 281 F CA 0.739 58.772 58.000 0.054 0.000 1.239 281 F CB 0.045 39.081 39.000 0.059 0.000 0.991 281 F HN 0.112 nan 8.300 nan 0.000 0.474 282 R N 0.880 121.504 120.500 0.208 0.000 2.081 282 R HA -0.187 4.153 4.340 0.000 0.000 0.235 282 R C 1.872 178.207 176.300 0.059 0.000 1.131 282 R CA 1.887 58.050 56.100 0.105 0.000 0.960 282 R CB -0.145 30.197 30.300 0.070 0.000 0.856 282 R HN 0.157 nan 8.270 nan 0.000 0.436 283 E N 0.144 120.376 120.200 0.053 0.000 2.077 283 E HA -0.129 4.221 4.350 0.000 0.000 0.193 283 E C 1.819 178.426 176.600 0.012 0.000 0.989 283 E CA 1.502 57.916 56.400 0.023 0.000 0.800 283 E CB -0.201 29.510 29.700 0.018 0.000 0.746 283 E HN 0.482 nan 8.360 nan 0.000 0.452 284 A N 0.952 123.794 122.820 0.037 0.000 1.930 284 A HA -0.148 4.172 4.320 0.000 0.000 0.217 284 A C 1.973 179.477 177.584 -0.133 0.000 1.175 284 A CA 1.171 53.198 52.037 -0.016 0.000 0.627 284 A CB -0.282 18.756 19.000 0.063 0.000 0.815 284 A HN 0.057 nan 8.150 nan 0.000 0.443 285 R N -0.407 120.031 120.500 -0.104 0.000 2.152 285 R HA -0.073 4.267 4.340 0.000 0.000 0.232 285 R C 2.361 178.608 176.300 -0.087 0.000 1.117 285 R CA 1.016 57.030 56.100 -0.144 0.000 0.981 285 R CB -0.471 29.794 30.300 -0.058 0.000 0.870 285 R HN 0.522 nan 8.270 nan 0.000 0.451 286 A N 0.791 123.582 122.820 -0.048 0.000 1.933 286 A HA -0.113 4.207 4.320 0.000 0.000 0.218 286 A C 2.320 179.890 177.584 -0.023 0.000 1.175 286 A CA 1.379 53.400 52.037 -0.027 0.000 0.628 286 A CB -0.323 18.660 19.000 -0.028 0.000 0.814 286 A HN 0.113 nan 8.150 nan 0.000 0.444 287 V N -0.671 119.213 119.914 -0.050 0.000 2.488 287 V HA -0.155 3.965 4.120 0.000 0.000 0.246 287 V C 2.534 178.605 176.094 -0.038 0.000 1.046 287 V CA 1.554 63.834 62.300 -0.034 0.000 1.053 287 V CB -0.534 31.262 31.823 -0.046 0.000 0.679 287 V HN 0.355 nan 8.190 nan 0.000 0.458 288 V N 0.463 120.308 119.914 -0.116 0.000 2.287 288 V HA -0.284 3.836 4.120 0.000 0.000 0.248 288 V C 2.294 178.343 176.094 -0.076 0.000 1.053 288 V CA 2.342 64.558 62.300 -0.140 0.000 1.027 288 V CB -0.678 30.972 31.823 -0.287 0.000 0.646 288 V HN 0.566 nan 8.190 nan 0.000 0.447 289 D N -1.226 119.144 120.400 -0.051 0.000 2.144 289 D HA -0.167 4.473 4.640 0.000 0.000 0.200 289 D C 2.052 178.342 176.300 -0.016 0.000 0.978 289 D CA 1.674 55.658 54.000 -0.027 0.000 0.833 289 D CB -0.249 40.544 40.800 -0.012 0.000 0.961 289 D HN 0.636 nan 8.370 nan 0.000 0.470 290 H N -0.196 118.825 119.070 -0.082 0.000 2.389 290 H HA -0.027 4.529 4.556 0.000 0.000 0.299 290 H C 1.622 176.875 175.328 -0.123 0.000 1.081 290 H CA 1.051 57.050 56.048 -0.082 0.000 1.345 290 H CB 0.090 29.810 29.762 -0.070 0.000 1.393 290 H HN -0.045 nan 8.280 nan 0.000 0.520 291 L N 0.114 121.285 121.223 -0.088 0.000 2.529 291 L HA 0.156 4.497 4.340 0.000 0.000 0.223 291 L C 0.346 177.018 176.870 -0.329 0.000 1.113 291 L CA 0.469 55.137 54.840 -0.287 0.000 0.861 291 L CB -0.026 41.890 42.059 -0.238 0.000 1.012 291 L HN 0.202 nan 8.230 nan 0.000 0.461 292 R N 0.631 121.032 120.500 -0.164 0.000 3.209 292 R HA -0.142 4.199 4.340 0.000 0.000 0.252 292 R C 0.345 176.614 176.300 -0.051 0.000 0.958 292 R CA 0.940 56.984 56.100 -0.094 0.000 0.651 292 R CB -2.898 27.354 30.300 -0.080 0.000 1.142 292 R HN 0.503 nan 8.270 nan 0.000 0.441 293 T N -3.122 111.413 114.554 -0.033 0.000 2.912 293 T HA 0.576 4.926 4.350 0.000 0.000 0.280 293 T C 0.442 175.178 174.700 0.059 0.000 0.989 293 T CA -1.034 61.086 62.100 0.034 0.000 0.995 293 T CB 2.192 71.088 68.868 0.046 0.000 1.077 293 T HN 0.365 nan 8.240 nan 0.000 0.531 294 R N 0.965 121.511 120.500 0.078 0.000 2.205 294 R HA 0.347 4.687 4.340 0.000 0.000 0.342 294 R C -0.844 175.521 176.300 0.108 0.000 1.058 294 R CA -0.379 55.765 56.100 0.073 0.000 0.904 294 R CB -0.395 29.936 30.300 0.052 0.000 1.089 294 R HN 0.836 nan 8.270 nan 0.000 0.471 295 H N 2.522 121.581 119.070 -0.018 0.000 2.499 295 H HA 0.497 5.053 4.556 0.000 0.000 0.340 295 H C -1.047 174.247 175.328 -0.057 0.000 1.148 295 H CA -0.715 55.312 56.048 -0.035 0.000 1.215 295 H CB 0.987 30.723 29.762 -0.044 0.000 1.529 295 H HN 0.562 nan 8.280 nan 0.000 0.510 296 R N 3.247 123.354 120.500 -0.656 0.000 2.574 296 R HA 0.309 4.649 4.340 0.000 0.000 0.288 296 R C -1.221 174.657 176.300 -0.703 0.000 1.004 296 R CA -0.659 55.150 56.100 -0.485 0.000 0.895 296 R CB 1.247 31.392 30.300 -0.258 0.000 1.191 296 R HN 0.748 nan 8.270 nan 0.000 0.444 297 E N 4.299 124.180 120.200 -0.531 0.000 2.166 297 E HA 0.370 4.720 4.350 0.000 0.000 0.275 297 E C -0.724 175.679 176.600 -0.327 0.000 0.941 297 E CA -0.580 55.458 56.400 -0.603 0.000 0.784 297 E CB 2.219 31.343 29.700 -0.960 0.000 1.115 297 E HN 0.426 nan 8.360 nan 0.000 0.399 298 I N 2.296 122.776 120.570 -0.150 0.000 2.406 298 I HA 0.266 4.436 4.170 0.000 0.000 0.290 298 I C -0.430 175.784 176.117 0.162 0.000 0.999 298 I CA -0.408 60.888 61.300 -0.007 0.000 1.124 298 I CB 2.053 40.045 38.000 -0.014 0.000 1.289 298 I HN 0.373 nan 8.210 nan 0.000 0.441 299 T N 7.334 121.971 114.554 0.138 0.000 2.807 299 T HA 0.708 5.059 4.350 0.000 0.000 0.279 299 T C -0.421 174.326 174.700 0.077 0.000 0.993 299 T CA -0.408 61.794 62.100 0.171 0.000 0.970 299 T CB 1.303 70.287 68.868 0.193 0.000 0.950 299 T HN 0.504 nan 8.240 nan 0.000 0.441 300 I N 0.576 121.179 120.570 0.054 0.000 2.769 300 I HA 0.713 4.883 4.170 0.000 0.000 0.298 300 I C -3.205 172.921 176.117 0.016 0.000 1.128 300 I CA -3.366 57.949 61.300 0.025 0.000 1.031 300 I CB 2.394 40.399 38.000 0.009 0.000 1.235 300 I HN 0.278 nan 8.210 nan 0.000 0.423 301 P HA 0.171 nan 4.420 nan 0.000 0.269 301 P C 0.480 177.784 177.300 0.007 0.000 1.209 301 P CA -0.109 62.996 63.100 0.009 0.000 0.776 301 P CB 0.730 32.436 31.700 0.010 0.000 0.876 302 T N 0.237 114.795 114.554 0.007 0.000 2.803 302 T HA -0.164 4.186 4.350 0.000 0.000 0.269 302 T C 1.690 176.400 174.700 0.015 0.000 1.052 302 T CA 2.282 64.388 62.100 0.010 0.000 1.136 302 T CB -0.939 67.938 68.868 0.014 0.000 0.864 302 T HN 0.644 nan 8.240 nan 0.000 0.467 303 T N 0.216 114.780 114.554 0.016 0.000 2.867 303 T HA -0.043 4.307 4.350 0.000 0.000 0.268 303 T C 1.763 176.473 174.700 0.017 0.000 1.057 303 T CA 1.262 63.374 62.100 0.021 0.000 1.136 303 T CB -0.190 68.689 68.868 0.019 0.000 0.874 303 T HN 0.486 nan 8.240 nan 0.000 0.466 304 E N 0.175 120.381 120.200 0.009 0.000 2.158 304 E HA 0.014 4.364 4.350 0.000 0.000 0.191 304 E C 2.040 178.636 176.600 -0.007 0.000 0.982 304 E CA 0.424 56.825 56.400 0.002 0.000 0.823 304 E CB -0.117 29.581 29.700 -0.003 0.000 0.766 304 E HN 0.469 nan 8.360 nan 0.000 0.468 305 L N 0.698 121.916 121.223 -0.007 0.000 2.027 305 L HA -0.119 4.221 4.340 0.000 0.000 0.206 305 L C 2.061 178.917 176.870 -0.023 0.000 1.074 305 L CA 1.460 56.289 54.840 -0.017 0.000 0.745 305 L CB -0.211 41.841 42.059 -0.012 0.000 0.898 305 L HN 0.163 nan 8.230 nan 0.000 0.433 306 L N -0.358 120.858 121.223 -0.011 0.000 2.275 306 L HA -0.106 4.234 4.340 0.000 0.000 0.215 306 L C 2.562 179.421 176.870 -0.017 0.000 1.119 306 L CA 0.800 55.624 54.840 -0.026 0.000 0.790 306 L CB -0.799 41.272 42.059 0.020 0.000 0.919 306 L HN 0.388 nan 8.230 nan 0.000 0.443 307 A N -0.717 122.109 122.820 0.011 0.000 2.121 307 A HA -0.154 4.166 4.320 0.000 0.000 0.218 307 A C 2.016 179.654 177.584 0.091 0.000 1.154 307 A CA 0.936 52.999 52.037 0.043 0.000 0.679 307 A CB -0.183 18.843 19.000 0.044 0.000 0.795 307 A HN 0.397 nan 8.150 nan 0.000 0.458 308 Q N -0.344 119.486 119.800 0.050 0.000 2.444 308 Q HA 0.133 4.473 4.340 0.000 0.000 0.206 308 Q C 1.695 177.748 176.000 0.089 0.000 0.948 308 Q CA 0.155 56.019 55.803 0.101 0.000 0.946 308 Q CB -0.350 28.392 28.738 0.007 0.000 1.027 308 Q HN 0.715 nan 8.270 nan 0.000 0.513 309 L N 1.671 122.883 121.223 -0.018 0.000 1.990 309 L HA -0.201 4.139 4.340 0.000 0.000 0.213 309 L C -0.336 176.505 176.870 -0.048 0.000 1.072 309 L CA 1.835 56.607 54.840 -0.115 0.000 0.755 309 L CB -1.752 40.188 42.059 -0.198 0.000 0.889 309 L HN 0.187 nan 8.230 nan 0.000 0.432 310 P HA -0.200 nan 4.420 nan 0.000 0.217 310 P C 1.288 178.508 177.300 -0.132 0.000 1.150 310 P CA 1.640 64.655 63.100 -0.141 0.000 0.832 310 P CB -0.082 31.453 31.700 -0.275 0.000 0.787 311 Y N 1.000 121.281 120.300 -0.032 0.000 2.181 311 Y HA -0.097 4.454 4.550 0.000 0.000 0.288 311 Y C 2.946 178.931 175.900 0.141 0.000 1.146 311 Y CA 1.434 59.578 58.100 0.075 0.000 1.164 311 Y CB -1.506 36.991 38.460 0.061 0.000 0.982 311 Y HN -0.044 nan 8.280 nan 0.000 0.515 312 A N -0.327 122.622 122.820 0.214 0.000 1.902 312 A HA -0.162 4.158 4.320 0.000 0.000 0.217 312 A C 2.357 180.008 177.584 0.111 0.000 1.181 312 A CA 2.099 54.212 52.037 0.127 0.000 0.623 312 A CB -1.200 17.827 19.000 0.044 0.000 0.818 312 A HN 0.255 nan 8.150 nan 0.000 0.443 313 V N -2.350 117.625 119.914 0.103 0.000 2.427 313 V HA -0.223 3.897 4.120 0.000 0.000 0.248 313 V C 2.166 178.355 176.094 0.158 0.000 1.051 313 V CA 1.713 64.091 62.300 0.129 0.000 1.048 313 V CB -0.936 30.959 31.823 0.119 0.000 0.666 313 V HN 0.842 nan 8.190 nan 0.000 0.456 314 W N 1.186 122.432 121.300 -0.091 0.000 2.355 314 W HA -0.171 4.489 4.660 0.000 0.000 0.309 314 W C 2.458 178.922 176.519 -0.092 0.000 1.206 314 W CA 2.059 59.312 57.345 -0.154 0.000 1.284 314 W CB -0.462 28.856 29.460 -0.236 0.000 1.145 314 W HN 0.188 nan 8.180 nan 0.000 0.502 315 A N -0.372 122.477 122.820 0.048 0.000 1.898 315 A HA -0.120 4.200 4.320 0.000 0.000 0.214 315 A C 2.108 179.644 177.584 -0.080 0.000 1.183 315 A CA 2.338 54.308 52.037 -0.112 0.000 0.622 315 A CB -1.325 17.687 19.000 0.020 0.000 0.824 315 A HN 0.323 nan 8.150 nan 0.000 0.444 316 S N -1.175 114.527 115.700 0.003 0.000 2.496 316 S HA 0.032 4.503 4.470 0.000 0.000 0.224 316 S C 0.547 175.184 174.600 0.061 0.000 0.996 316 S CA 0.853 59.063 58.200 0.016 0.000 0.927 316 S CB -0.341 62.876 63.200 0.028 0.000 0.774 316 S HN 0.560 nan 8.310 nan 0.000 0.524 317 E N 0.656 120.905 120.200 0.083 0.000 2.440 317 E HA -0.168 4.182 4.350 0.000 0.000 0.246 317 E C -0.392 176.390 176.600 0.303 0.000 1.165 317 E CA 0.635 57.154 56.400 0.197 0.000 0.726 317 E CB -1.817 27.921 29.700 0.063 0.000 1.271 317 E HN 0.512 nan 8.360 nan 0.000 0.397 318 S N -0.369 115.451 115.700 0.200 0.000 2.537 318 S HA 0.494 4.965 4.470 0.000 0.000 0.301 318 S C 0.577 175.200 174.600 0.039 0.000 1.092 318 S CA -0.211 58.041 58.200 0.088 0.000 1.048 318 S CB 1.889 65.124 63.200 0.057 0.000 1.053 318 S HN 0.408 nan 8.310 nan 0.000 0.501 319 V N 0.690 120.549 119.914 -0.091 0.000 3.214 319 V HA 0.450 4.570 4.120 0.000 0.000 0.330 319 V C 0.218 176.276 176.094 -0.061 0.000 1.403 319 V CA -0.370 61.853 62.300 -0.128 0.000 1.143 319 V CB -0.068 31.569 31.823 -0.311 0.000 1.098 319 V HN 0.759 nan 8.190 nan 0.000 0.463 320 D N 3.028 123.416 120.400 -0.019 0.000 2.380 320 D HA 0.276 4.916 4.640 0.000 0.000 0.230 320 D C -1.209 175.105 176.300 0.024 0.000 1.154 320 D CA -1.742 52.261 54.000 0.006 0.000 0.859 320 D CB 2.369 43.187 40.800 0.030 0.000 1.045 320 D HN 0.189 nan 8.370 nan 0.000 0.495 321 P HA -0.173 nan 4.420 nan 0.000 0.216 321 P C 0.613 177.955 177.300 0.071 0.000 1.150 321 P CA 1.062 64.219 63.100 0.096 0.000 0.843 321 P CB 0.658 32.347 31.700 -0.017 0.000 0.787 322 D N -0.190 120.221 120.400 0.017 0.000 2.084 322 D HA -0.133 4.507 4.640 0.000 0.000 0.194 322 D C 2.134 178.196 176.300 -0.397 0.000 0.990 322 D CA 1.003 54.909 54.000 -0.156 0.000 0.826 322 D CB -0.533 40.241 40.800 -0.043 0.000 0.971 322 D HN 0.019 nan 8.370 nan 0.000 0.453 323 I N 0.972 121.474 120.570 -0.114 0.000 2.208 323 I HA -0.206 3.964 4.170 0.000 0.000 0.245 323 I C 2.182 178.298 176.117 -0.003 0.000 1.097 323 I CA 0.876 62.195 61.300 0.032 0.000 1.363 323 I CB -0.878 37.186 38.000 0.106 0.000 1.051 323 I HN 0.133 nan 8.210 nan 0.000 0.413 324 I N 0.808 121.365 120.570 -0.022 0.000 2.248 324 I HA -0.271 3.899 4.170 0.000 0.000 0.248 324 I C 2.491 178.564 176.117 -0.073 0.000 1.107 324 I CA 1.395 62.676 61.300 -0.032 0.000 1.373 324 I CB -1.131 36.846 38.000 -0.038 0.000 1.055 324 I HN 0.378 nan 8.210 nan 0.000 0.418 325 E N 0.018 120.153 120.200 -0.108 0.000 2.051 325 E HA -0.224 4.126 4.350 0.000 0.000 0.192 325 E C 2.311 178.908 176.600 -0.006 0.000 0.991 325 E CA 1.304 57.649 56.400 -0.091 0.000 0.799 325 E CB -0.238 29.394 29.700 -0.114 0.000 0.748 325 E HN 0.578 nan 8.360 nan 0.000 0.449 326 Y N 0.499 120.850 120.300 0.085 0.000 2.333 326 Y HA -0.146 4.404 4.550 0.000 0.000 0.290 326 Y C 2.251 178.205 175.900 0.089 0.000 1.144 326 Y CA 0.139 58.301 58.100 0.103 0.000 1.228 326 Y CB -0.007 38.555 38.460 0.170 0.000 0.985 326 Y HN 0.028 nan 8.280 nan 0.000 0.542 327 L N -0.706 120.626 121.223 0.182 0.000 2.270 327 L HA -0.126 4.214 4.340 0.000 0.000 0.210 327 L C 2.106 178.991 176.870 0.024 0.000 1.104 327 L CA 0.350 55.241 54.840 0.085 0.000 0.804 327 L CB -0.430 41.661 42.059 0.053 0.000 0.937 327 L HN 0.304 nan 8.230 nan 0.000 0.450 328 L N 0.384 121.608 121.223 0.002 0.000 1.990 328 L HA -0.206 4.134 4.340 0.000 0.000 0.213 328 L C -0.075 176.772 176.870 -0.040 0.000 1.072 328 L CA 1.890 56.711 54.840 -0.033 0.000 0.755 328 L CB -1.927 40.093 42.059 -0.065 0.000 0.889 328 L HN 0.227 nan 8.230 nan 0.000 0.432 329 P HA -0.173 nan 4.420 nan 0.000 0.216 329 P C 1.746 178.968 177.300 -0.130 0.000 1.150 329 P CA 1.124 64.197 63.100 -0.045 0.000 0.837 329 P CB 0.097 31.797 31.700 -0.000 0.000 0.786 330 L N -0.577 120.550 121.223 -0.160 0.000 2.027 330 L HA -0.111 4.229 4.340 0.000 0.000 0.206 330 L C 2.517 179.031 176.870 -0.593 0.000 1.074 330 L CA 2.501 57.089 54.840 -0.419 0.000 0.745 330 L CB -2.139 39.778 42.059 -0.237 0.000 0.898 330 L HN 0.106 nan 8.230 nan 0.000 0.433 331 T N -3.324 111.110 114.554 -0.201 0.000 2.821 331 T HA -0.137 4.213 4.350 0.000 0.000 0.267 331 T C 1.914 176.562 174.700 -0.086 0.000 1.046 331 T CA 1.093 63.171 62.100 -0.036 0.000 1.139 331 T CB -0.528 68.376 68.868 0.059 0.000 0.871 331 T HN 0.219 nan 8.240 nan 0.000 0.454 332 A N 1.194 123.944 122.820 -0.117 0.000 1.972 332 A HA 0.190 4.510 4.320 0.000 0.000 0.219 332 A C 2.402 179.920 177.584 -0.111 0.000 1.169 332 A CA 1.393 53.370 52.037 -0.101 0.000 0.635 332 A CB -0.869 18.084 19.000 -0.077 0.000 0.810 332 A HN 0.588 nan 8.150 nan 0.000 0.446 333 L N -1.784 119.320 121.223 -0.199 0.000 2.044 333 L HA -0.127 4.213 4.340 0.000 0.000 0.205 333 L C 2.461 179.259 176.870 -0.119 0.000 1.075 333 L CA 1.429 56.154 54.840 -0.193 0.000 0.747 333 L CB -0.358 41.530 42.059 -0.285 0.000 0.903 333 L HN 0.463 nan 8.230 nan 0.000 0.435 334 Y N 0.304 120.588 120.300 -0.026 0.000 2.207 334 Y HA -0.191 4.359 4.550 0.000 0.000 0.287 334 Y C 2.711 178.638 175.900 0.044 0.000 1.156 334 Y CA 1.027 59.119 58.100 -0.013 0.000 1.182 334 Y CB -0.677 37.796 38.460 0.022 0.000 0.979 334 Y HN 0.142 nan 8.280 nan 0.000 0.521 335 R N -0.499 120.085 120.500 0.141 0.000 2.236 335 R HA 0.095 4.435 4.340 0.000 0.000 0.208 335 R C 2.144 178.470 176.300 0.042 0.000 1.036 335 R CA 0.756 56.900 56.100 0.074 0.000 1.001 335 R CB -0.244 30.033 30.300 -0.038 0.000 0.896 335 R HN 0.299 nan 8.270 nan 0.000 0.464 336 A N 1.096 123.929 122.820 0.020 0.000 2.072 336 A HA 0.109 4.429 4.320 0.000 0.000 0.216 336 A C 1.067 178.665 177.584 0.022 0.000 1.156 336 A CA -0.025 52.015 52.037 0.006 0.000 0.701 336 A CB -0.045 18.945 19.000 -0.018 0.000 0.816 336 A HN 0.098 nan 8.150 nan 0.000 0.458 337 L N 0.808 122.052 121.223 0.036 0.000 2.559 337 L HA -0.036 4.304 4.340 0.000 0.000 0.282 337 L C 0.609 177.536 176.870 0.094 0.000 1.232 337 L CA -0.272 54.585 54.840 0.030 0.000 0.885 337 L CB 0.248 42.261 42.059 -0.077 0.000 1.131 337 L HN 0.297 nan 8.230 nan 0.000 0.498 338 D N 1.734 122.172 120.400 0.063 0.000 2.566 338 D HA 0.072 4.712 4.640 0.000 0.000 0.253 338 D C 1.241 177.592 176.300 0.084 0.000 0.992 338 D CA 0.688 54.727 54.000 0.065 0.000 0.940 338 D CB -0.124 40.695 40.800 0.032 0.000 1.095 338 D HN 0.649 nan 8.370 nan 0.000 0.480 339 G N 2.227 111.073 108.800 0.077 0.000 2.413 339 G HA2 0.092 4.052 3.960 0.000 0.000 0.300 339 G HA3 0.092 4.052 3.960 0.000 0.000 0.300 339 G C -1.794 173.180 174.900 0.122 0.000 1.370 339 G CA -0.354 44.796 45.100 0.084 0.000 1.110 339 G HN 0.086 nan 8.290 nan 0.000 0.596 340 P HA 0.204 nan 4.420 nan 0.000 0.274 340 P C -0.586 176.821 177.300 0.178 0.000 1.260 340 P CA -0.310 62.855 63.100 0.107 0.000 0.793 340 P CB 0.587 32.336 31.700 0.082 0.000 1.048 341 E N 0.465 120.724 120.200 0.097 0.000 2.366 341 E HA 0.123 4.473 4.350 0.000 0.000 0.266 341 E C 0.262 177.018 176.600 0.259 0.000 1.015 341 E CA 0.173 56.614 56.400 0.068 0.000 0.906 341 E CB 0.241 29.942 29.700 0.000 0.000 0.979 341 E HN 0.174 nan 8.360 nan 0.000 0.443 342 R N 2.189 123.003 120.500 0.523 0.000 2.758 342 R HA 0.416 4.756 4.340 0.000 0.000 0.265 342 R C -0.187 176.282 176.300 0.281 0.000 1.016 342 R CA -1.007 55.278 56.100 0.309 0.000 1.040 342 R CB 1.111 31.519 30.300 0.179 0.000 1.152 342 R HN 0.466 nan 8.270 nan 0.000 0.503 343 R N 2.010 122.638 120.500 0.213 0.000 2.198 343 R HA 0.396 4.736 4.340 0.000 0.000 0.339 343 R C -0.596 175.788 176.300 0.139 0.000 1.020 343 R CA -0.202 56.045 56.100 0.246 0.000 0.864 343 R CB 0.180 30.616 30.300 0.226 0.000 1.105 343 R HN 0.521 nan 8.270 nan 0.000 0.463 344 I N 5.338 125.952 120.570 0.073 0.000 2.441 344 I HA 0.306 4.476 4.170 0.000 0.000 0.295 344 I C -0.835 175.245 176.117 -0.062 0.000 0.994 344 I CA -1.189 60.112 61.300 0.001 0.000 1.144 344 I CB 1.737 39.719 38.000 -0.029 0.000 1.314 344 I HN 0.437 nan 8.210 nan 0.000 0.445 345 L N 4.977 126.187 121.223 -0.022 0.000 2.346 345 L HA 0.661 5.001 4.340 0.000 0.000 0.274 345 L C 0.261 177.146 176.870 0.025 0.000 1.007 345 L CA -0.117 54.694 54.840 -0.049 0.000 0.818 345 L CB 2.080 44.117 42.059 -0.036 0.000 1.284 345 L HN 0.739 nan 8.230 nan 0.000 0.424 346 T N -1.836 112.761 114.554 0.072 0.000 2.864 346 T HA 0.638 4.988 4.350 0.000 0.000 0.289 346 T C 0.493 175.348 174.700 0.259 0.000 1.082 346 T CA -0.160 62.064 62.100 0.206 0.000 1.009 346 T CB 1.719 70.796 68.868 0.348 0.000 1.234 346 T HN 0.580 nan 8.240 nan 0.000 0.526 347 G N -0.225 108.755 108.800 0.301 0.000 3.523 347 G HA2 0.218 4.178 3.960 0.000 0.000 0.270 347 G HA3 0.218 4.178 3.960 0.000 0.000 0.270 347 G C -0.220 174.913 174.900 0.388 0.000 1.134 347 G CA -0.388 44.976 45.100 0.439 0.000 0.825 347 G HN 0.687 nan 8.290 nan 0.000 0.534 348 Y N 0.693 121.123 120.300 0.218 0.000 2.497 348 Y HA 0.358 4.908 4.550 0.000 0.000 0.334 348 Y C 1.540 177.471 175.900 0.052 0.000 1.199 348 Y CA 1.414 59.533 58.100 0.031 0.000 1.425 348 Y CB 1.198 39.567 38.460 -0.152 0.000 1.291 348 Y HN 0.277 nan 8.280 nan 0.000 0.562 349 G N 2.430 111.113 108.800 -0.196 0.000 2.268 349 G HA2 -0.362 3.598 3.960 0.000 0.000 0.240 349 G HA3 -0.362 3.598 3.960 0.000 0.000 0.240 349 G C 1.232 176.243 174.900 0.186 0.000 1.010 349 G CA 0.440 45.587 45.100 0.078 0.000 0.618 349 G HN 1.301 nan 8.290 nan 0.000 0.516 350 A N 0.643 123.401 122.820 -0.103 0.000 1.986 350 A HA -0.026 4.294 4.320 0.000 0.000 0.220 350 A C 1.911 179.362 177.584 -0.221 0.000 1.171 350 A CA 2.354 54.150 52.037 -0.402 0.000 0.640 350 A CB -0.478 17.844 19.000 -1.129 0.000 0.811 350 A HN 0.511 nan 8.150 nan 0.000 0.451 351 D N -0.168 120.114 120.400 -0.197 0.000 2.218 351 D HA -0.098 4.542 4.640 0.000 0.000 0.204 351 D C 1.840 178.116 176.300 -0.040 0.000 0.976 351 D CA 1.160 55.078 54.000 -0.136 0.000 0.853 351 D CB -0.172 40.519 40.800 -0.182 0.000 0.939 351 D HN 0.594 nan 8.370 nan 0.000 0.481 352 I N 1.862 122.458 120.570 0.042 0.000 2.110 352 I HA -0.169 4.002 4.170 0.000 0.000 0.236 352 I C -0.495 175.678 176.117 0.094 0.000 1.068 352 I CA 0.993 62.375 61.300 0.138 0.000 1.333 352 I CB -1.734 36.474 38.000 0.347 0.000 1.054 352 I HN -0.028 nan 8.210 nan 0.000 0.402 353 P HA -0.075 nan 4.420 nan 0.000 0.220 353 P C 0.796 178.084 177.300 -0.021 0.000 1.148 353 P CA 1.397 64.480 63.100 -0.028 0.000 0.803 353 P CB 0.188 31.815 31.700 -0.123 0.000 0.782 354 L N -1.829 119.376 121.223 -0.030 0.000 2.544 354 L HA 0.431 4.771 4.340 0.000 0.000 0.256 354 L C 2.439 179.295 176.870 -0.023 0.000 1.097 354 L CA -0.333 54.485 54.840 -0.037 0.000 0.812 354 L CB -0.354 41.666 42.059 -0.066 0.000 1.440 354 L HN -0.169 nan 8.230 nan 0.000 0.496 355 G N -1.019 107.765 108.800 -0.027 0.000 2.418 355 G HA2 0.070 4.030 3.960 0.000 0.000 0.217 355 G HA3 0.070 4.030 3.960 0.000 0.000 0.217 355 G C 1.073 175.988 174.900 0.025 0.000 1.158 355 G CA 0.930 46.024 45.100 -0.010 0.000 0.771 355 G HN 1.019 nan 8.290 nan 0.000 0.545 356 G N 0.213 109.007 108.800 -0.009 0.000 3.024 356 G HA2 -0.372 3.588 3.960 0.000 0.000 0.339 356 G HA3 -0.372 3.588 3.960 0.000 0.000 0.339 356 G C 0.518 175.422 174.900 0.006 0.000 1.200 356 G CA 1.071 46.153 45.100 -0.029 0.000 0.968 356 G HN 0.573 nan 8.290 nan 0.000 0.593 357 M N 1.708 121.325 119.600 0.029 0.000 3.145 357 M HA 0.426 4.906 4.480 0.000 0.000 0.254 357 M C 0.700 177.055 176.300 0.091 0.000 1.264 357 M CA -0.031 55.294 55.300 0.042 0.000 1.293 357 M CB 0.919 33.535 32.600 0.027 0.000 1.170 357 M HN 0.596 nan 8.290 nan 0.000 0.572 358 H N 2.405 121.476 119.070 0.002 0.000 2.337 358 H HA 0.125 4.682 4.556 0.000 0.000 0.311 358 H C 0.280 175.610 175.328 0.004 0.000 1.054 358 H CA 1.551 57.603 56.048 0.006 0.000 1.385 358 H CB 0.584 30.351 29.762 0.008 0.000 1.437 358 H HN 0.580 nan 8.280 nan 0.000 0.553 359 R N 1.128 121.630 120.500 0.003 0.000 3.336 359 R HA -0.189 4.151 4.340 0.000 0.000 0.260 359 R C -1.150 175.103 176.300 -0.079 0.000 1.032 359 R CA 1.060 57.141 56.100 -0.032 0.000 0.693 359 R CB -2.349 27.931 30.300 -0.033 0.000 1.134 359 R HN 0.364 nan 8.270 nan 0.000 0.433 360 E N -0.380 119.839 120.200 0.032 0.000 2.431 360 E HA 0.220 4.571 4.350 0.000 0.000 0.287 360 E C -0.625 176.099 176.600 0.205 0.000 1.032 360 E CA -0.611 55.803 56.400 0.023 0.000 0.839 360 E CB 1.039 30.600 29.700 -0.231 0.000 1.218 360 E HN 0.161 nan 8.360 nan 0.000 0.424 361 D N 1.638 122.096 120.400 0.097 0.000 2.224 361 D HA -0.031 4.609 4.640 0.000 0.000 0.205 361 D C -0.049 176.298 176.300 0.077 0.000 0.965 361 D CA 0.705 54.743 54.000 0.064 0.000 0.852 361 D CB 0.117 40.926 40.800 0.015 0.000 0.947 361 D HN 0.258 nan 8.370 nan 0.000 0.494 362 R N 1.395 121.962 120.500 0.112 0.000 2.404 362 R HA 0.130 4.470 4.340 0.000 0.000 0.315 362 R C 1.274 177.666 176.300 0.153 0.000 1.032 362 R CA -0.043 56.116 56.100 0.098 0.000 0.992 362 R CB 0.721 31.065 30.300 0.072 0.000 0.959 362 R HN 0.158 nan 8.270 nan 0.000 0.428 363 L N 3.979 125.228 121.223 0.044 0.000 2.156 363 L HA -0.038 4.302 4.340 0.000 0.000 0.208 363 L C -0.713 176.154 176.870 -0.005 0.000 1.095 363 L CA 0.679 55.504 54.840 -0.025 0.000 0.770 363 L CB -1.366 40.665 42.059 -0.047 0.000 0.914 363 L HN 0.391 nan 8.230 nan 0.000 0.439 364 P HA -0.257 nan 4.420 nan 0.000 0.214 364 P C 1.655 178.995 177.300 0.065 0.000 1.169 364 P CA 2.104 65.225 63.100 0.036 0.000 0.908 364 P CB -0.008 31.712 31.700 0.033 0.000 0.791 365 A N -0.852 122.047 122.820 0.131 0.000 1.948 365 A HA -0.228 4.092 4.320 0.000 0.000 0.220 365 A C 2.270 179.974 177.584 0.200 0.000 1.177 365 A CA 1.769 53.909 52.037 0.172 0.000 0.636 365 A CB -1.758 17.355 19.000 0.188 0.000 0.815 365 A HN 0.203 nan 8.150 nan 0.000 0.449 366 L N -0.668 120.635 121.223 0.133 0.000 1.989 366 L HA -0.225 4.115 4.340 0.000 0.000 0.211 366 L C 1.999 178.849 176.870 -0.033 0.000 1.071 366 L CA 2.330 57.077 54.840 -0.154 0.000 0.749 366 L CB -0.423 41.234 42.059 -0.670 0.000 0.890 366 L HN 0.327 nan 8.230 nan 0.000 0.431 367 D N -0.924 119.461 120.400 -0.025 0.000 2.178 367 D HA -0.150 4.491 4.640 0.000 0.000 0.202 367 D C 2.070 178.396 176.300 0.043 0.000 0.974 367 D CA 1.703 55.706 54.000 0.005 0.000 0.841 367 D CB 0.017 40.817 40.800 -0.001 0.000 0.953 367 D HN 0.424 nan 8.370 nan 0.000 0.478 368 T N 0.519 115.107 114.554 0.056 0.000 2.674 368 T HA -0.103 4.247 4.350 0.000 0.000 0.265 368 T C 2.277 177.042 174.700 0.109 0.000 1.039 368 T CA 0.883 63.026 62.100 0.072 0.000 1.150 368 T CB -0.353 68.549 68.868 0.056 0.000 0.864 368 T HN -0.028 nan 8.240 nan 0.000 0.427 369 V N 2.520 122.503 119.914 0.115 0.000 2.343 369 V HA -0.098 4.022 4.120 0.000 0.000 0.247 369 V C 2.482 178.682 176.094 0.177 0.000 1.051 369 V CA 1.153 63.546 62.300 0.155 0.000 1.036 369 V CB -0.801 31.108 31.823 0.143 0.000 0.654 369 V HN 0.413 nan 8.190 nan 0.000 0.451 370 L N 1.178 122.474 121.223 0.121 0.000 1.990 370 L HA -0.201 4.139 4.340 0.000 0.000 0.213 370 L C 2.504 179.444 176.870 0.118 0.000 1.072 370 L CA 2.966 57.868 54.840 0.103 0.000 0.755 370 L CB -1.323 40.768 42.059 0.052 0.000 0.889 370 L HN 0.333 nan 8.230 nan 0.000 0.432 371 A N -0.920 121.963 122.820 0.105 0.000 1.940 371 A HA -0.310 4.010 4.320 0.000 0.000 0.219 371 A C 2.134 179.794 177.584 0.127 0.000 1.176 371 A CA 1.819 53.915 52.037 0.098 0.000 0.631 371 A CB -0.982 18.064 19.000 0.077 0.000 0.814 371 A HN 0.792 nan 8.150 nan 0.000 0.446 372 H N -0.071 119.048 119.070 0.082 0.000 2.357 372 H HA -0.085 4.471 4.556 0.000 0.000 0.301 372 H C 1.486 176.891 175.328 0.129 0.000 1.082 372 H CA 1.858 57.959 56.048 0.087 0.000 1.342 372 H CB -0.079 29.726 29.762 0.072 0.000 1.389 372 H HN 0.372 nan 8.280 nan 0.000 0.511 373 D N -0.085 120.367 120.400 0.087 0.000 2.117 373 D HA -0.128 4.512 4.640 0.000 0.000 0.197 373 D C 1.913 178.361 176.300 0.246 0.000 0.987 373 D CA 0.925 55.000 54.000 0.126 0.000 0.829 373 D CB -0.110 40.815 40.800 0.208 0.000 0.961 373 D HN 0.386 nan 8.370 nan 0.000 0.460 374 M N 0.091 119.848 119.600 0.261 0.000 2.460 374 M HA 0.027 4.507 4.480 0.000 0.000 0.263 374 M C 1.677 178.224 176.300 0.413 0.000 1.071 374 M CA 0.433 55.984 55.300 0.419 0.000 1.096 374 M CB -0.674 32.066 32.600 0.234 0.000 1.408 374 M HN -0.063 nan 8.290 nan 0.000 0.463 375 A N -0.468 122.436 122.820 0.140 0.000 2.348 375 A HA 0.154 4.474 4.320 0.000 0.000 0.224 375 A C 1.538 179.052 177.584 -0.115 0.000 1.227 375 A CA 0.838 52.877 52.037 0.003 0.000 0.885 375 A CB -0.425 18.559 19.000 -0.025 0.000 0.933 375 A HN 0.485 nan 8.150 nan 0.000 0.506 376 T N -3.718 110.776 114.554 -0.099 0.000 3.144 376 T HA 0.175 4.525 4.350 0.000 0.000 0.290 376 T C 1.028 175.696 174.700 -0.054 0.000 0.966 376 T CA 0.327 62.338 62.100 -0.148 0.000 0.907 376 T CB -0.985 67.730 68.868 -0.255 0.000 1.152 376 T HN 0.430 nan 8.240 nan 0.000 0.532 377 F N 1.326 121.308 119.950 0.054 0.000 2.367 377 F HA 0.332 4.859 4.527 0.000 0.000 0.298 377 F C 0.486 176.296 175.800 0.017 0.000 1.094 377 F CA -0.600 57.432 58.000 0.054 0.000 1.409 377 F CB -0.630 38.448 39.000 0.130 0.000 1.064 377 F HN 0.014 nan 8.300 nan 0.000 0.528 378 D N 0.881 120.838 120.400 -0.737 0.000 2.382 378 D HA 0.366 5.006 4.640 0.000 0.000 0.259 378 D C 1.130 177.318 176.300 -0.187 0.000 1.224 378 D CA 1.284 55.006 54.000 -0.464 0.000 0.894 378 D CB 0.626 41.087 40.800 -0.565 0.000 1.127 378 D HN 0.571 nan 8.370 nan 0.000 0.487 379 G N 2.940 111.685 108.800 -0.093 0.000 2.231 379 G HA2 -0.252 3.708 3.960 0.000 0.000 0.206 379 G HA3 -0.252 3.708 3.960 0.000 0.000 0.206 379 G C 0.909 175.802 174.900 -0.010 0.000 0.996 379 G CA 0.132 45.202 45.100 -0.050 0.000 0.645 379 G HN 0.473 nan 8.290 nan 0.000 0.498 380 L N 1.153 122.378 121.223 0.003 0.000 2.313 380 L HA 0.335 4.675 4.340 0.000 0.000 0.214 380 L C 1.600 178.476 176.870 0.009 0.000 1.119 380 L CA 1.613 56.467 54.840 0.024 0.000 0.809 380 L CB -0.971 41.123 42.059 0.057 0.000 0.933 380 L HN 0.536 nan 8.230 nan 0.000 0.449 381 N N -0.203 118.490 118.700 -0.012 0.000 2.693 381 N HA -0.311 4.430 4.740 0.000 0.000 0.249 381 N C 1.027 176.480 175.510 -0.094 0.000 1.119 381 N CA 0.679 53.705 53.050 -0.041 0.000 0.717 381 N CB -0.610 37.885 38.487 0.013 0.000 1.071 381 N HN 0.684 nan 8.380 nan 0.000 0.555 382 E N 0.194 120.319 120.200 -0.124 0.000 2.265 382 E HA -0.144 4.206 4.350 0.000 0.000 0.196 382 E C 1.178 177.494 176.600 -0.473 0.000 0.996 382 E CA 1.016 57.291 56.400 -0.207 0.000 0.832 382 E CB -0.031 29.612 29.700 -0.096 0.000 0.756 382 E HN 0.578 nan 8.360 nan 0.000 0.491 383 M N 1.604 120.926 119.600 -0.463 0.000 2.576 383 M HA 0.156 4.636 4.480 0.000 0.000 0.322 383 M C 0.265 176.421 176.300 -0.240 0.000 1.184 383 M CA -0.424 54.543 55.300 -0.555 0.000 0.967 383 M CB 1.327 33.527 32.600 -0.666 0.000 1.372 383 M HN -0.056 nan 8.290 nan 0.000 0.509 384 S N 1.869 117.454 115.700 -0.192 0.000 2.568 384 S HA 0.140 4.610 4.470 0.000 0.000 0.282 384 S C -1.268 173.232 174.600 -0.166 0.000 1.338 384 S CA -1.105 57.011 58.200 -0.141 0.000 1.045 384 S CB 0.652 63.790 63.200 -0.102 0.000 0.873 384 S HN 0.221 nan 8.310 nan 0.000 0.516 385 P HA -0.026 nan 4.420 nan 0.000 0.222 385 P C 1.501 178.643 177.300 -0.264 0.000 1.153 385 P CA 0.634 63.536 63.100 -0.330 0.000 0.798 385 P CB -0.187 31.314 31.700 -0.331 0.000 0.796 386 V N 0.577 120.380 119.914 -0.185 0.000 2.546 386 V HA -0.233 3.887 4.120 0.000 0.000 0.254 386 V C 2.701 178.710 176.094 -0.141 0.000 1.076 386 V CA 1.478 63.669 62.300 -0.182 0.000 1.087 386 V CB -1.429 30.290 31.823 -0.174 0.000 0.674 386 V HN 0.039 nan 8.190 nan 0.000 0.470 387 L N 0.744 121.904 121.223 -0.105 0.000 2.127 387 L HA -0.177 4.163 4.340 0.000 0.000 0.211 387 L C 2.500 179.387 176.870 0.027 0.000 1.089 387 L CA 1.952 56.806 54.840 0.023 0.000 0.757 387 L CB -0.454 41.658 42.059 0.089 0.000 0.899 387 L HN 0.611 nan 8.230 nan 0.000 0.434 388 S N -2.760 112.741 115.700 -0.331 0.000 2.545 388 S HA -0.074 4.396 4.470 0.000 0.000 0.232 388 S C 1.955 176.376 174.600 -0.299 0.000 1.070 388 S CA 0.430 58.274 58.200 -0.594 0.000 0.923 388 S CB -0.519 61.976 63.200 -1.175 0.000 0.806 388 S HN 0.432 nan 8.310 nan 0.000 0.506 389 T N 2.446 116.784 114.554 -0.360 0.000 2.929 389 T HA -0.027 4.323 4.350 0.000 0.000 0.271 389 T C 1.783 176.326 174.700 -0.261 0.000 1.085 389 T CA 1.188 63.005 62.100 -0.472 0.000 1.125 389 T CB -1.055 67.402 68.868 -0.685 0.000 0.874 389 T HN 0.523 nan 8.240 nan 0.000 0.494 390 L N -0.221 120.927 121.223 -0.125 0.000 2.353 390 L HA 0.418 4.758 4.340 0.000 0.000 0.220 390 L C 2.208 179.115 176.870 0.062 0.000 1.133 390 L CA 1.380 56.227 54.840 0.011 0.000 0.798 390 L CB -0.793 41.331 42.059 0.108 0.000 0.922 390 L HN 0.250 nan 8.230 nan 0.000 0.445 391 A N -0.855 121.972 122.820 0.013 0.000 2.470 391 A HA 0.607 4.928 4.320 0.000 0.000 0.251 391 A C 1.701 179.189 177.584 -0.160 0.000 1.245 391 A CA 0.286 52.342 52.037 0.030 0.000 0.932 391 A CB -0.294 18.818 19.000 0.186 0.000 1.037 391 A HN 0.781 nan 8.150 nan 0.000 0.522 392 G N -0.598 108.070 108.800 -0.220 0.000 2.176 392 G HA2 -0.214 3.746 3.960 0.000 0.000 0.253 392 G HA3 -0.214 3.746 3.960 0.000 0.000 0.253 392 G C 0.038 174.703 174.900 -0.392 0.000 0.979 392 G CA 0.315 45.242 45.100 -0.288 0.000 0.641 392 G HN 0.657 nan 8.290 nan 0.000 0.530 393 H N -0.953 118.035 119.070 -0.137 0.000 2.467 393 H HA 0.388 4.944 4.556 0.000 0.000 0.331 393 H C -0.208 175.024 175.328 -0.160 0.000 1.120 393 H CA -0.404 55.588 56.048 -0.094 0.000 1.270 393 H CB 1.191 30.886 29.762 -0.113 0.000 1.466 393 H HN 0.366 nan 8.280 nan 0.000 0.504 394 W N 3.944 125.210 121.300 -0.057 0.000 2.365 394 W HA 0.252 4.912 4.660 0.000 0.000 0.316 394 W C -0.845 175.601 176.519 -0.121 0.000 1.164 394 W CA -0.595 56.704 57.345 -0.077 0.000 1.204 394 W CB 1.415 30.973 29.460 0.163 0.000 1.213 394 W HN 0.550 nan 8.180 nan 0.000 0.539 395 T N 2.332 116.283 114.554 -1.005 0.000 2.876 395 T HA 0.519 4.869 4.350 0.000 0.000 0.289 395 T C -0.751 173.204 174.700 -1.243 0.000 1.014 395 T CA -0.622 60.925 62.100 -0.921 0.000 0.986 395 T CB 2.159 70.610 68.868 -0.696 0.000 1.021 395 T HN 0.373 nan 8.240 nan 0.000 0.458 396 T N 1.047 115.065 114.554 -0.894 0.000 2.933 396 T HA 0.433 4.783 4.350 0.000 0.000 0.305 396 T C -1.726 172.534 174.700 -0.733 0.000 1.092 396 T CA -0.737 60.939 62.100 -0.707 0.000 1.008 396 T CB 0.913 69.682 68.868 -0.164 0.000 1.102 396 T HN 0.749 nan 8.240 nan 0.000 0.469 397 H N 5.169 124.212 119.070 -0.045 0.000 2.736 397 H HA 0.258 4.814 4.556 0.000 0.000 0.271 397 H C -1.896 173.457 175.328 0.042 0.000 1.184 397 H CA -1.901 54.163 56.048 0.027 0.000 1.378 397 H CB 1.545 31.351 29.762 0.073 0.000 1.428 397 H HN 0.459 nan 8.280 nan 0.000 0.500 398 P HA -0.228 nan 4.420 nan 0.000 0.217 398 P C 1.047 178.310 177.300 -0.061 0.000 1.148 398 P CA 1.340 64.360 63.100 -0.135 0.000 0.828 398 P CB 0.186 31.715 31.700 -0.285 0.000 0.783 399 Y N -2.565 117.827 120.300 0.155 0.000 2.333 399 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 399 Y C 1.741 177.728 175.900 0.146 0.000 1.144 399 Y CA 0.426 58.614 58.100 0.146 0.000 1.228 399 Y CB -0.629 37.947 38.460 0.192 0.000 0.985 399 Y HN -0.029 nan 8.280 nan 0.000 0.542 400 W N 1.071 122.472 121.300 0.167 0.000 3.194 400 W HA 0.145 4.805 4.660 0.000 0.000 0.408 400 W C 0.100 176.714 176.519 0.158 0.000 1.072 400 W CA -1.004 56.403 57.345 0.103 0.000 1.953 400 W CB -0.540 28.937 29.460 0.028 0.000 1.091 400 W HN -0.093 nan 8.180 nan 0.000 0.699 401 D N -0.304 120.205 120.400 0.182 0.000 2.399 401 D HA -0.009 4.632 4.640 0.000 0.000 0.241 401 D C 1.841 178.098 176.300 -0.072 0.000 1.133 401 D CA 0.193 54.246 54.000 0.088 0.000 0.890 401 D CB 1.103 41.888 40.800 -0.026 0.000 1.201 401 D HN -0.053 nan 8.370 nan 0.000 0.432 402 R N 1.524 121.779 120.500 -0.409 0.000 2.091 402 R HA -0.158 4.182 4.340 0.000 0.000 0.238 402 R C 1.280 177.423 176.300 -0.262 0.000 1.136 402 R CA 1.303 56.960 56.100 -0.739 0.000 0.959 402 R CB 0.069 29.753 30.300 -1.027 0.000 0.856 402 R HN 0.587 nan 8.270 nan 0.000 0.437 403 E N -0.091 120.020 120.200 -0.147 0.000 2.072 403 E HA -0.108 4.242 4.350 0.000 0.000 0.190 403 E C 2.135 178.712 176.600 -0.038 0.000 0.982 403 E CA 0.952 57.317 56.400 -0.058 0.000 0.803 403 E CB -0.333 29.344 29.700 -0.039 0.000 0.755 403 E HN 0.175 nan 8.360 nan 0.000 0.453 404 V N 1.745 121.631 119.914 -0.047 0.000 2.295 404 V HA -0.233 3.887 4.120 0.000 0.000 0.246 404 V C 2.501 178.574 176.094 -0.035 0.000 1.049 404 V CA 1.429 63.717 62.300 -0.020 0.000 1.024 404 V CB -0.573 31.247 31.823 -0.004 0.000 0.648 404 V HN 0.140 nan 8.190 nan 0.000 0.447 405 L N 0.438 121.603 121.223 -0.096 0.000 1.990 405 L HA -0.221 4.119 4.340 0.000 0.000 0.213 405 L C 2.195 179.034 176.870 -0.052 0.000 1.072 405 L CA 2.193 56.921 54.840 -0.188 0.000 0.755 405 L CB -1.011 40.836 42.059 -0.353 0.000 0.889 405 L HN 0.327 nan 8.230 nan 0.000 0.432 406 D N -0.824 119.605 120.400 0.048 0.000 2.104 406 D HA -0.214 4.426 4.640 0.000 0.000 0.194 406 D C 2.175 178.502 176.300 0.044 0.000 0.994 406 D CA 1.594 55.663 54.000 0.115 0.000 0.830 406 D CB -0.271 40.623 40.800 0.157 0.000 0.959 406 D HN 0.302 nan 8.370 nan 0.000 0.452 407 L N 0.751 121.987 121.223 0.022 0.000 2.017 407 L HA -0.116 4.224 4.340 0.000 0.000 0.208 407 L C 2.253 179.128 176.870 0.007 0.000 1.073 407 L CA 1.414 56.263 54.840 0.015 0.000 0.745 407 L CB -0.652 41.415 42.059 0.012 0.000 0.894 407 L HN 0.022 nan 8.230 nan 0.000 0.432 408 L N -1.786 119.434 121.223 -0.005 0.000 2.046 408 L HA -0.195 4.145 4.340 0.000 0.000 0.208 408 L C 2.438 179.298 176.870 -0.018 0.000 1.077 408 L CA 1.048 55.880 54.840 -0.013 0.000 0.747 408 L CB -0.792 41.250 42.059 -0.029 0.000 0.896 408 L HN 0.117 nan 8.230 nan 0.000 0.432 409 V N 0.033 119.932 119.914 -0.025 0.000 2.343 409 V HA -0.282 3.838 4.120 0.000 0.000 0.247 409 V C 2.739 178.830 176.094 -0.005 0.000 1.051 409 V CA 2.074 64.364 62.300 -0.017 0.000 1.036 409 V CB -0.670 31.147 31.823 -0.011 0.000 0.654 409 V HN 0.655 nan 8.190 nan 0.000 0.451 410 S N -0.374 115.327 115.700 0.002 0.000 2.442 410 S HA -0.015 4.455 4.470 0.000 0.000 0.236 410 S C 0.832 175.435 174.600 0.005 0.000 1.007 410 S CA 0.451 58.654 58.200 0.004 0.000 0.965 410 S CB -0.795 62.411 63.200 0.010 0.000 0.773 410 S HN 0.471 nan 8.310 nan 0.000 0.504 411 L N 2.677 123.904 121.223 0.007 0.000 2.456 411 L HA 0.236 4.576 4.340 0.000 0.000 0.272 411 L C 0.591 177.465 176.870 0.007 0.000 1.189 411 L CA -0.586 54.262 54.840 0.014 0.000 0.846 411 L CB 0.210 42.283 42.059 0.023 0.000 1.111 411 L HN 0.436 nan 8.230 nan 0.000 0.475 412 E N 1.838 122.043 120.200 0.008 0.000 2.413 412 E HA 0.133 4.483 4.350 0.000 0.000 0.263 412 E C 0.844 177.439 176.600 -0.009 0.000 1.015 412 E CA 0.162 56.560 56.400 -0.002 0.000 0.916 412 E CB 0.925 30.623 29.700 -0.003 0.000 0.947 412 E HN 0.617 nan 8.360 nan 0.000 0.440 413 A N 3.699 126.504 122.820 -0.027 0.000 1.986 413 A HA -0.187 4.133 4.320 0.000 0.000 0.220 413 A C 2.101 179.653 177.584 -0.053 0.000 1.171 413 A CA 1.831 53.838 52.037 -0.050 0.000 0.640 413 A CB -1.296 17.662 19.000 -0.070 0.000 0.811 413 A HN 0.835 nan 8.150 nan 0.000 0.451 414 G N -1.339 107.433 108.800 -0.047 0.000 2.509 414 G HA2 0.031 3.991 3.960 0.000 0.000 0.218 414 G HA3 0.031 3.991 3.960 0.000 0.000 0.218 414 G C 1.192 176.063 174.900 -0.047 0.000 1.124 414 G CA 0.904 45.963 45.100 -0.069 0.000 0.776 414 G HN 0.394 nan 8.290 nan 0.000 0.547 415 L N -0.446 120.790 121.223 0.023 0.000 2.477 415 L HA 0.330 4.670 4.340 0.000 0.000 0.220 415 L C 2.423 179.408 176.870 0.192 0.000 1.106 415 L CA 1.012 55.935 54.840 0.138 0.000 0.851 415 L CB 0.031 42.168 42.059 0.131 0.000 0.994 415 L HN 0.120 nan 8.230 nan 0.000 0.462 416 K N -0.725 119.724 120.400 0.081 0.000 2.202 416 K HA 0.070 4.390 4.320 0.000 0.000 0.201 416 K C 0.499 177.140 176.600 0.068 0.000 1.051 416 K CA 0.151 56.476 56.287 0.064 0.000 0.977 416 K CB 0.359 32.853 32.500 -0.009 0.000 0.792 416 K HN -0.115 nan 8.250 nan 0.000 0.469 417 R N 1.721 122.225 120.500 0.006 0.000 2.358 417 R HA 0.275 4.615 4.340 0.000 0.000 0.309 417 R C -1.466 174.797 176.300 -0.063 0.000 1.026 417 R CA -0.465 55.629 56.100 -0.010 0.000 0.909 417 R CB 0.531 30.779 30.300 -0.086 0.000 1.153 417 R HN -0.029 nan 8.270 nan 0.000 0.515 418 R N 2.416 122.874 120.500 -0.071 0.000 2.604 418 R HA 0.279 4.619 4.340 0.000 0.000 0.270 418 R C -0.801 175.310 176.300 -0.316 0.000 1.052 418 R CA -0.536 55.342 56.100 -0.369 0.000 0.902 418 R CB 0.849 30.724 30.300 -0.708 0.000 1.233 418 R HN 0.817 nan 8.270 nan 0.000 0.455 419 H N 1.848 120.793 119.070 -0.209 0.000 2.899 419 H HA -0.173 4.384 4.556 0.000 0.000 0.282 419 H C 0.799 176.106 175.328 -0.035 0.000 1.198 419 H CA 1.570 57.537 56.048 -0.136 0.000 1.140 419 H CB -1.340 28.316 29.762 -0.176 0.000 1.317 419 H HN 1.107 nan 8.280 nan 0.000 0.375 420 G N -0.020 108.808 108.800 0.047 0.000 2.155 420 G HA2 -0.358 3.602 3.960 0.000 0.000 0.257 420 G HA3 -0.358 3.602 3.960 0.000 0.000 0.257 420 G C 0.286 175.242 174.900 0.093 0.000 0.983 420 G CA 0.635 45.773 45.100 0.062 0.000 0.676 420 G HN 0.591 nan 8.290 nan 0.000 0.528 421 R N 1.088 121.670 120.500 0.136 0.000 2.445 421 R HA 0.410 4.750 4.340 0.000 0.000 0.308 421 R C -0.085 176.316 176.300 0.168 0.000 0.961 421 R CA -0.497 55.704 56.100 0.169 0.000 0.862 421 R CB 1.414 31.872 30.300 0.263 0.000 1.144 421 R HN 0.506 nan 8.270 nan 0.000 0.447 422 D N 2.237 122.708 120.400 0.118 0.000 2.357 422 D HA 0.003 4.644 4.640 0.000 0.000 0.242 422 D C -0.366 175.987 176.300 0.089 0.000 1.153 422 D CA -0.390 53.665 54.000 0.092 0.000 0.918 422 D CB 0.833 41.668 40.800 0.058 0.000 1.181 422 D HN 0.403 nan 8.370 nan 0.000 0.435 423 K N -0.312 120.123 120.400 0.058 0.000 3.078 423 K HA -0.251 4.069 4.320 0.000 0.000 0.261 423 K C 0.533 177.162 176.600 0.048 0.000 0.947 423 K CA 0.559 56.860 56.287 0.023 0.000 0.702 423 K CB -1.695 30.777 32.500 -0.047 0.000 1.318 423 K HN 0.632 nan 8.250 nan 0.000 0.473 424 W N 0.607 121.903 121.300 -0.007 0.000 2.318 424 W HA -0.299 4.361 4.660 0.000 0.000 0.313 424 W C 1.963 178.493 176.519 0.018 0.000 1.221 424 W CA 2.076 59.433 57.345 0.019 0.000 1.266 424 W CB -0.513 28.969 29.460 0.037 0.000 1.150 424 W HN 0.159 nan 8.180 nan 0.000 0.496 425 V N 1.242 121.138 119.914 -0.030 0.000 2.453 425 V HA -0.294 3.826 4.120 0.000 0.000 0.252 425 V C 2.164 178.085 176.094 -0.289 0.000 1.068 425 V CA 2.291 64.461 62.300 -0.218 0.000 1.070 425 V CB -0.632 31.209 31.823 0.029 0.000 0.664 425 V HN 0.388 nan 8.190 nan 0.000 0.461 426 L N -0.645 120.462 121.223 -0.193 0.000 2.095 426 L HA -0.082 4.258 4.340 0.000 0.000 0.204 426 L C 2.809 179.564 176.870 -0.191 0.000 1.080 426 L CA 1.481 56.237 54.840 -0.139 0.000 0.759 426 L CB -0.296 41.706 42.059 -0.096 0.000 0.914 426 L HN 0.271 nan 8.230 nan 0.000 0.439 427 R N -0.234 120.110 120.500 -0.259 0.000 2.081 427 R HA -0.129 4.211 4.340 0.000 0.000 0.235 427 R C 2.304 178.398 176.300 -0.343 0.000 1.131 427 R CA 1.289 57.239 56.100 -0.250 0.000 0.960 427 R CB -0.499 29.670 30.300 -0.217 0.000 0.856 427 R HN 0.406 nan 8.270 nan 0.000 0.436 428 A N 1.465 123.910 122.820 -0.626 0.000 1.902 428 A HA -0.082 4.238 4.320 0.000 0.000 0.217 428 A C 2.387 179.777 177.584 -0.324 0.000 1.181 428 A CA 1.595 53.260 52.037 -0.620 0.000 0.623 428 A CB -0.656 17.625 19.000 -1.198 0.000 0.818 428 A HN 0.384 nan 8.150 nan 0.000 0.443 429 A N -1.430 121.227 122.820 -0.273 0.000 2.019 429 A HA -0.035 4.285 4.320 0.000 0.000 0.219 429 A C 1.858 179.386 177.584 -0.093 0.000 1.164 429 A CA 1.803 53.755 52.037 -0.142 0.000 0.644 429 A CB -0.303 18.637 19.000 -0.098 0.000 0.805 429 A HN 0.425 nan 8.150 nan 0.000 0.449 430 M N -1.447 118.092 119.600 -0.101 0.000 2.333 430 M HA 0.300 4.780 4.480 0.000 0.000 0.257 430 M C 1.969 178.227 176.300 -0.069 0.000 1.078 430 M CA 0.522 55.785 55.300 -0.062 0.000 1.005 430 M CB -0.964 31.612 32.600 -0.041 0.000 1.444 430 M HN 0.385 nan 8.290 nan 0.000 0.496 431 A N 1.703 124.466 122.820 -0.095 0.000 2.093 431 A HA -0.185 4.135 4.320 0.000 0.000 0.222 431 A C 1.526 179.081 177.584 -0.049 0.000 1.162 431 A CA 2.179 54.167 52.037 -0.081 0.000 0.655 431 A CB -0.713 18.234 19.000 -0.089 0.000 0.805 431 A HN 0.606 nan 8.150 nan 0.000 0.461 432 D N -2.050 118.332 120.400 -0.029 0.000 2.369 432 D HA 0.401 5.042 4.640 0.000 0.000 0.211 432 D C 0.845 177.164 176.300 0.032 0.000 1.077 432 D CA 0.748 54.749 54.000 0.001 0.000 0.842 432 D CB -0.014 40.790 40.800 0.005 0.000 0.947 432 D HN 0.310 nan 8.370 nan 0.000 0.509 433 A N 0.091 122.924 122.820 0.021 0.000 2.508 433 A HA 0.474 4.794 4.320 0.000 0.000 0.250 433 A C 0.275 177.886 177.584 0.045 0.000 1.208 433 A CA -0.202 51.880 52.037 0.076 0.000 0.960 433 A CB 0.357 19.388 19.000 0.051 0.000 1.099 433 A HN 0.183 nan 8.150 nan 0.000 0.542 434 L N 0.221 121.361 121.223 -0.138 0.000 2.415 434 L HA 0.451 4.792 4.340 0.000 0.000 0.256 434 L C -2.643 173.919 176.870 -0.514 0.000 1.010 434 L CA -2.424 52.163 54.840 -0.423 0.000 0.826 434 L CB 2.562 44.498 42.059 -0.206 0.000 1.405 434 L HN -0.063 nan 8.230 nan 0.000 0.410 435 P HA 0.043 nan 4.420 nan 0.000 0.271 435 P C 0.229 177.428 177.300 -0.167 0.000 1.216 435 P CA -0.145 62.756 63.100 -0.331 0.000 0.776 435 P CB 1.302 32.855 31.700 -0.245 0.000 0.881 436 A N 3.051 125.813 122.820 -0.097 0.000 1.958 436 A HA -0.261 4.059 4.320 0.000 0.000 0.221 436 A C 2.216 179.770 177.584 -0.051 0.000 1.178 436 A CA 2.123 54.124 52.037 -0.059 0.000 0.642 436 A CB -1.362 17.619 19.000 -0.032 0.000 0.816 436 A HN 0.726 nan 8.150 nan 0.000 0.453 437 E N -0.911 119.258 120.200 -0.051 0.000 2.118 437 E HA -0.198 4.152 4.350 0.000 0.000 0.195 437 E C 1.851 178.426 176.600 -0.042 0.000 0.992 437 E CA 1.778 58.155 56.400 -0.037 0.000 0.804 437 E CB -0.153 29.527 29.700 -0.033 0.000 0.741 437 E HN 0.609 nan 8.360 nan 0.000 0.458 438 T N 0.649 115.163 114.554 -0.066 0.000 2.851 438 T HA -0.090 4.260 4.350 0.000 0.000 0.262 438 T C 1.985 176.652 174.700 -0.054 0.000 1.043 438 T CA 1.329 63.392 62.100 -0.062 0.000 1.140 438 T CB -0.149 68.667 68.868 -0.087 0.000 0.872 438 T HN 0.309 nan 8.240 nan 0.000 0.446 439 V N 0.742 120.616 119.914 -0.067 0.000 2.759 439 V HA -0.024 4.096 4.120 0.000 0.000 0.256 439 V C 1.407 177.479 176.094 -0.035 0.000 1.080 439 V CA 1.626 63.889 62.300 -0.062 0.000 1.101 439 V CB -0.956 30.820 31.823 -0.078 0.000 0.698 439 V HN 0.435 nan 8.190 nan 0.000 0.477 440 N N -0.209 118.479 118.700 -0.020 0.000 2.325 440 N HA 0.142 4.882 4.740 0.000 0.000 0.182 440 N C 0.917 176.432 175.510 0.009 0.000 1.088 440 N CA -0.292 52.762 53.050 0.006 0.000 0.879 440 N CB 0.108 38.600 38.487 0.008 0.000 0.983 440 N HN 0.394 nan 8.380 nan 0.000 0.471 441 R N 3.076 123.572 120.500 -0.005 0.000 2.458 441 R HA 0.063 4.403 4.340 0.000 0.000 0.303 441 R C -2.292 174.009 176.300 0.002 0.000 1.013 441 R CA -1.146 54.953 56.100 -0.003 0.000 1.026 441 R CB 0.358 30.651 30.300 -0.011 0.000 0.948 441 R HN 0.040 nan 8.270 nan 0.000 0.417 442 P HA -0.051 nan 4.420 nan 0.000 0.269 442 P C -0.111 177.189 177.300 -0.000 0.000 1.215 442 P CA -0.269 62.838 63.100 0.012 0.000 0.780 442 P CB 0.886 32.596 31.700 0.016 0.000 0.898 443 K N 1.816 122.214 120.400 -0.004 0.000 2.032 443 K HA -0.069 4.251 4.320 0.000 0.000 0.209 443 K C 0.837 177.428 176.600 -0.016 0.000 1.048 443 K CA 1.325 57.601 56.287 -0.019 0.000 0.927 443 K CB -0.302 32.183 32.500 -0.026 0.000 0.712 443 K HN 0.488 nan 8.250 nan 0.000 0.441 454 S N 1.605 117.334 115.700 0.049 0.000 2.645 454 S HA 0.517 4.987 4.470 0.000 0.000 0.266 454 S C 1.532 176.185 174.600 0.087 0.000 1.258 454 S CA -0.370 57.873 58.200 0.073 0.000 0.990 454 S CB 1.133 64.391 63.200 0.098 0.000 0.967 454 S HN 0.530 nan 8.310 nan 0.000 0.556 455 S N 0.308 116.068 115.700 0.101 0.000 2.368 455 S HA -0.064 4.406 4.470 0.000 0.000 0.225 455 S C 1.328 176.044 174.600 0.193 0.000 1.030 455 S CA 1.055 59.321 58.200 0.109 0.000 0.999 455 S CB -0.713 62.536 63.200 0.081 0.000 0.844 455 S HN 0.656 nan 8.310 nan 0.000 0.459 456 F N 2.640 122.595 119.950 0.009 0.000 2.171 456 F HA -0.049 4.478 4.527 0.000 0.000 0.300 456 F C 2.438 178.246 175.800 0.012 0.000 1.090 456 F CA 0.767 58.771 58.000 0.006 0.000 1.293 456 F CB -1.003 37.989 39.000 -0.012 0.000 1.013 456 F HN 0.101 nan 8.300 nan 0.000 0.486 457 S N -0.165 115.571 115.700 0.060 0.000 2.371 457 S HA -0.134 4.336 4.470 0.000 0.000 0.224 457 S C 2.019 176.621 174.600 0.003 0.000 1.029 457 S CA 0.999 59.169 58.200 -0.050 0.000 0.978 457 S CB -0.196 62.991 63.200 -0.021 0.000 0.833 457 S HN 0.263 nan 8.310 nan 0.000 0.466 458 R N 1.819 122.348 120.500 0.048 0.000 2.083 458 R HA -0.007 4.334 4.340 0.000 0.000 0.237 458 R C 2.220 178.561 176.300 0.068 0.000 1.137 458 R CA 1.138 57.266 56.100 0.048 0.000 0.951 458 R CB -0.935 29.396 30.300 0.051 0.000 0.851 458 R HN 0.316 nan 8.270 nan 0.000 0.434 459 L N 0.074 121.366 121.223 0.116 0.000 2.021 459 L HA -0.214 4.126 4.340 0.000 0.000 0.215 459 L C 1.750 178.745 176.870 0.208 0.000 1.074 459 L CA 1.960 56.903 54.840 0.173 0.000 0.760 459 L CB -0.719 41.489 42.059 0.248 0.000 0.889 459 L HN 0.340 nan 8.230 nan 0.000 0.433 460 L N -0.847 120.439 121.223 0.104 0.000 2.156 460 L HA -0.167 4.174 4.340 0.000 0.000 0.208 460 L C 2.592 179.509 176.870 0.079 0.000 1.095 460 L CA 0.892 55.771 54.840 0.066 0.000 0.770 460 L CB -1.182 40.825 42.059 -0.087 0.000 0.914 460 L HN 0.307 nan 8.230 nan 0.000 0.439 461 L N 0.011 121.259 121.223 0.041 0.000 2.141 461 L HA -0.150 4.191 4.340 0.000 0.000 0.209 461 L C 1.748 178.638 176.870 0.033 0.000 1.094 461 L CA 1.502 56.358 54.840 0.026 0.000 0.763 461 L CB -0.628 41.437 42.059 0.010 0.000 0.908 461 L HN 0.181 nan 8.230 nan 0.000 0.437 462 D N -2.276 118.147 120.400 0.038 0.000 2.363 462 D HA -0.070 4.570 4.640 0.000 0.000 0.220 462 D C 1.584 177.843 176.300 -0.068 0.000 0.994 462 D CA 0.624 54.615 54.000 -0.016 0.000 0.890 462 D CB 0.005 40.786 40.800 -0.032 0.000 0.906 462 D HN 0.374 nan 8.370 nan 0.000 0.530 463 H N -0.639 118.431 119.070 -0.000 0.000 2.551 463 H HA 0.228 4.784 4.556 0.000 0.000 0.271 463 H C 1.179 176.503 175.328 -0.006 0.000 0.984 463 H CA 0.711 56.758 56.048 -0.001 0.000 1.164 463 H CB 0.676 30.438 29.762 -0.000 0.000 1.437 463 H HN 0.146 nan 8.280 nan 0.000 0.550 464 G N 1.214 110.056 108.800 0.072 0.000 2.137 464 G HA2 -0.264 3.696 3.960 0.000 0.000 0.237 464 G HA3 -0.264 3.696 3.960 0.000 0.000 0.237 464 G C 0.184 175.106 174.900 0.037 0.000 1.002 464 G CA 0.393 45.517 45.100 0.040 0.000 0.702 464 G HN 0.193 nan 8.290 nan 0.000 0.515 465 V N 0.954 120.893 119.914 0.041 0.000 2.498 465 V HA 0.656 4.777 4.120 0.000 0.000 0.279 465 V C 1.226 177.319 176.094 -0.001 0.000 1.048 465 V CA -0.266 62.041 62.300 0.012 0.000 0.967 465 V CB 1.282 33.102 31.823 -0.006 0.000 0.988 465 V HN 1.213 nan 8.190 nan 0.000 0.473 466 A N 3.142 125.958 122.820 -0.006 0.000 2.540 466 A HA 0.114 4.435 4.320 0.000 0.000 0.239 466 A C 1.375 178.951 177.584 -0.013 0.000 1.061 466 A CA 0.301 52.334 52.037 -0.008 0.000 0.758 466 A CB -0.112 18.883 19.000 -0.009 0.000 0.991 466 A HN 1.068 nan 8.150 nan 0.000 0.502 467 E N 1.517 121.710 120.200 -0.011 0.000 2.118 467 E HA -0.249 4.101 4.350 0.000 0.000 0.195 467 E C 1.351 177.943 176.600 -0.013 0.000 0.992 467 E CA 1.944 58.335 56.400 -0.014 0.000 0.804 467 E CB 0.004 29.697 29.700 -0.012 0.000 0.741 467 E HN 0.825 nan 8.360 nan 0.000 0.458 468 D N -0.366 120.027 120.400 -0.011 0.000 2.348 468 D HA -0.160 4.481 4.640 0.000 0.000 0.216 468 D C 1.265 177.563 176.300 -0.004 0.000 0.970 468 D CA 0.637 54.632 54.000 -0.009 0.000 0.889 468 D CB -0.109 40.685 40.800 -0.010 0.000 0.912 468 D HN 0.228 nan 8.370 nan 0.000 0.524 469 R N 0.001 120.495 120.500 -0.010 0.000 2.508 469 R HA 0.224 4.565 4.340 0.000 0.000 0.300 469 R C 1.802 178.083 176.300 -0.033 0.000 0.970 469 R CA -0.148 55.943 56.100 -0.015 0.000 1.102 469 R CB 0.920 31.208 30.300 -0.021 0.000 1.246 469 R HN -0.002 nan 8.270 nan 0.000 0.539 470 V N 0.308 120.203 119.914 -0.032 0.000 2.295 470 V HA -0.282 3.838 4.120 0.000 0.000 0.246 470 V C 2.142 178.176 176.094 -0.100 0.000 1.049 470 V CA 2.189 64.445 62.300 -0.074 0.000 1.024 470 V CB -0.525 31.259 31.823 -0.065 0.000 0.648 470 V HN 0.371 nan 8.190 nan 0.000 0.447 471 H N 0.565 119.557 119.070 -0.130 0.000 2.319 471 H HA -0.225 4.331 4.556 0.000 0.000 0.299 471 H C 2.227 177.482 175.328 -0.121 0.000 1.092 471 H CA 2.361 58.330 56.048 -0.133 0.000 1.302 471 H CB -0.075 29.636 29.762 -0.085 0.000 1.373 471 H HN 0.451 nan 8.280 nan 0.000 0.497 472 E N 0.180 120.313 120.200 -0.111 0.000 2.153 472 E HA -0.090 4.260 4.350 0.000 0.000 0.194 472 E C 2.206 178.705 176.600 -0.167 0.000 0.988 472 E CA 1.244 57.556 56.400 -0.147 0.000 0.811 472 E CB -0.555 29.112 29.700 -0.054 0.000 0.746 472 E HN 0.548 nan 8.360 nan 0.000 0.466 473 A N 0.545 123.271 122.820 -0.156 0.000 1.930 473 A HA -0.165 4.155 4.320 0.000 0.000 0.217 473 A C 2.030 179.489 177.584 -0.208 0.000 1.175 473 A CA 1.681 53.625 52.037 -0.154 0.000 0.627 473 A CB -0.348 18.568 19.000 -0.140 0.000 0.815 473 A HN 0.211 nan 8.150 nan 0.000 0.443 474 K N -0.774 119.425 120.400 -0.337 0.000 2.103 474 K HA -0.069 4.251 4.320 0.000 0.000 0.204 474 K C 2.324 178.811 176.600 -0.188 0.000 1.052 474 K CA 1.214 57.221 56.287 -0.467 0.000 0.945 474 K CB -0.144 31.863 32.500 -0.822 0.000 0.722 474 K HN 0.434 nan 8.250 nan 0.000 0.443 475 R N 1.418 121.763 120.500 -0.259 0.000 2.096 475 R HA -0.166 4.174 4.340 0.000 0.000 0.235 475 R C 2.058 178.305 176.300 -0.088 0.000 1.127 475 R CA 1.598 57.589 56.100 -0.182 0.000 0.968 475 R CB 0.037 30.189 30.300 -0.247 0.000 0.861 475 R HN 0.288 nan 8.270 nan 0.000 0.440 476 Q N -0.332 119.415 119.800 -0.088 0.000 2.079 476 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 476 Q C 2.204 178.198 176.000 -0.010 0.000 0.974 476 Q CA 1.603 57.376 55.803 -0.050 0.000 0.840 476 Q CB 0.053 28.757 28.738 -0.057 0.000 0.898 476 Q HN 0.204 nan 8.270 nan 0.000 0.430 477 V N 0.497 120.420 119.914 0.015 0.000 2.233 477 V HA -0.262 3.859 4.120 0.000 0.000 0.247 477 V C 2.316 178.466 176.094 0.092 0.000 1.050 477 V CA 1.706 64.052 62.300 0.076 0.000 1.010 477 V CB -0.620 31.320 31.823 0.194 0.000 0.637 477 V HN 0.184 nan 8.190 nan 0.000 0.444 478 V N 0.439 120.428 119.914 0.126 0.000 2.332 478 V HA -0.292 3.828 4.120 0.000 0.000 0.248 478 V C 2.607 178.753 176.094 0.086 0.000 1.055 478 V CA 2.392 64.752 62.300 0.100 0.000 1.038 478 V CB -0.948 30.934 31.823 0.098 0.000 0.651 478 V HN 0.555 nan 8.190 nan 0.000 0.450 479 R N 1.169 121.692 120.500 0.038 0.000 2.094 479 R HA -0.242 4.098 4.340 0.000 0.000 0.239 479 R C 2.228 178.582 176.300 0.090 0.000 1.137 479 R CA 2.489 58.603 56.100 0.023 0.000 0.943 479 R CB -0.832 29.453 30.300 -0.024 0.000 0.850 479 R HN 0.642 nan 8.270 nan 0.000 0.433 480 E N -0.258 119.976 120.200 0.057 0.000 2.110 480 E HA -0.149 4.201 4.350 0.000 0.000 0.193 480 E C 1.974 178.607 176.600 0.055 0.000 0.988 480 E CA 1.411 57.840 56.400 0.049 0.000 0.804 480 E CB -0.137 29.574 29.700 0.017 0.000 0.745 480 E HN 0.456 nan 8.360 nan 0.000 0.458 481 L N 0.004 121.263 121.223 0.059 0.000 2.141 481 L HA -0.121 4.219 4.340 0.000 0.000 0.209 481 L C 2.330 179.233 176.870 0.055 0.000 1.094 481 L CA 0.795 55.651 54.840 0.027 0.000 0.763 481 L CB -0.397 41.672 42.059 0.016 0.000 0.908 481 L HN 0.242 nan 8.230 nan 0.000 0.437 482 F N 1.328 121.264 119.950 -0.024 0.000 2.113 482 F HA -0.221 4.306 4.527 0.000 0.000 0.297 482 F C 2.191 177.978 175.800 -0.023 0.000 1.103 482 F CA 1.656 59.646 58.000 -0.016 0.000 1.248 482 F CB -0.157 38.832 39.000 -0.020 0.000 0.999 482 F HN 0.087 nan 8.300 nan 0.000 0.475 483 D N 0.529 121.058 120.400 0.214 0.000 2.218 483 D HA -0.152 4.488 4.640 0.000 0.000 0.204 483 D C 2.341 178.621 176.300 -0.033 0.000 0.976 483 D CA 1.257 55.313 54.000 0.093 0.000 0.853 483 D CB -0.259 40.602 40.800 0.100 0.000 0.939 483 D HN 0.361 nan 8.370 nan 0.000 0.481 484 L N 0.267 121.460 121.223 -0.051 0.000 2.102 484 L HA -0.061 4.279 4.340 0.000 0.000 0.202 484 L C 2.651 179.442 176.870 -0.132 0.000 1.076 484 L CA 1.399 56.188 54.840 -0.085 0.000 0.761 484 L CB -0.553 41.455 42.059 -0.085 0.000 0.921 484 L HN 0.095 nan 8.230 nan 0.000 0.444 485 T N -3.407 111.051 114.554 -0.159 0.000 2.852 485 T HA -0.018 4.332 4.350 0.000 0.000 0.256 485 T C 1.728 176.394 174.700 -0.056 0.000 1.038 485 T CA 0.893 62.906 62.100 -0.146 0.000 1.141 485 T CB -0.508 68.269 68.868 -0.153 0.000 0.869 485 T HN 0.021 nan 8.240 nan 0.000 0.439 486 V N 1.492 121.230 119.914 -0.295 0.000 2.379 486 V HA 0.250 4.370 4.120 0.000 0.000 0.243 486 V C 2.998 178.846 176.094 -0.409 0.000 1.035 486 V CA 1.609 63.621 62.300 -0.480 0.000 1.035 486 V CB -1.115 30.027 31.823 -1.135 0.000 0.673 486 V HN 0.662 nan 8.190 nan 0.000 0.457 487 G N -0.326 108.234 108.800 -0.399 0.000 2.595 487 G HA2 0.078 4.038 3.960 0.000 0.000 0.213 487 G HA3 0.078 4.038 3.960 0.000 0.000 0.213 487 G C 1.442 176.273 174.900 -0.115 0.000 1.141 487 G CA 0.740 45.724 45.100 -0.193 0.000 0.806 487 G HN 0.569 nan 8.290 nan 0.000 0.530 488 G N -0.366 108.367 108.800 -0.112 0.000 2.838 488 G HA2 0.360 4.320 3.960 0.000 0.000 0.210 488 G HA3 0.360 4.320 3.960 0.000 0.000 0.210 488 G C 1.293 176.152 174.900 -0.068 0.000 1.153 488 G CA 0.531 45.586 45.100 -0.076 0.000 0.778 488 G HN 1.293 nan 8.290 nan 0.000 0.539 489 G N -0.362 108.396 108.800 -0.069 0.000 2.155 489 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 489 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 489 G C 0.458 175.342 174.900 -0.027 0.000 0.983 489 G CA 0.320 45.399 45.100 -0.036 0.000 0.676 489 G HN 0.636 nan 8.290 nan 0.000 0.528 490 R N -0.012 120.444 120.500 -0.074 0.000 2.486 490 R HA 0.480 4.820 4.340 0.000 0.000 0.286 490 R C 0.387 176.542 176.300 -0.242 0.000 0.999 490 R CA -0.790 55.242 56.100 -0.114 0.000 0.993 490 R CB 0.648 30.872 30.300 -0.127 0.000 1.084 490 R HN 0.374 nan 8.270 nan 0.000 0.487 491 H N 3.533 122.385 119.070 -0.364 0.000 2.562 491 H HA 0.095 4.651 4.556 0.000 0.000 0.352 491 H C -1.780 173.083 175.328 -0.775 0.000 1.125 491 H CA -1.945 53.695 56.048 -0.680 0.000 1.379 491 H CB 1.751 31.240 29.762 -0.454 0.000 1.464 491 H HN 0.347 nan 8.280 nan 0.000 0.563 492 P HA -0.202 nan 4.420 nan 0.000 0.216 492 P C 1.585 178.484 177.300 -0.668 0.000 1.150 492 P CA 2.345 64.721 63.100 -1.206 0.000 0.843 492 P CB 0.083 30.508 31.700 -2.124 0.000 0.787 493 S N 0.159 115.696 115.700 -0.273 0.000 2.440 493 S HA -0.199 4.272 4.470 0.000 0.000 0.238 493 S C 1.439 176.009 174.600 -0.050 0.000 1.010 493 S CA 1.152 59.360 58.200 0.013 0.000 0.972 493 S CB -1.166 62.117 63.200 0.137 0.000 0.774 493 S HN 0.427 nan 8.310 nan 0.000 0.501 494 E N 0.643 120.783 120.200 -0.100 0.000 2.437 494 E HA 0.325 4.676 4.350 0.000 0.000 0.195 494 E C -0.693 175.843 176.600 -0.107 0.000 1.029 494 E CA -0.375 55.971 56.400 -0.089 0.000 0.948 494 E CB 0.300 29.951 29.700 -0.083 0.000 1.082 494 E HN 0.303 nan 8.360 nan 0.000 0.456 495 V N 2.028 121.859 119.914 -0.138 0.000 2.370 495 V HA 0.073 4.193 4.120 0.000 0.000 0.283 495 V C -0.111 175.936 176.094 -0.078 0.000 1.023 495 V CA -0.790 61.433 62.300 -0.128 0.000 0.857 495 V CB 1.463 33.172 31.823 -0.191 0.000 0.985 495 V HN 0.209 nan 8.190 nan 0.000 0.443 496 D N 3.807 124.175 120.400 -0.054 0.000 2.470 496 D HA 0.081 4.721 4.640 0.000 0.000 0.226 496 D C 1.300 177.587 176.300 -0.022 0.000 1.196 496 D CA 0.110 54.093 54.000 -0.028 0.000 0.979 496 D CB 1.203 41.991 40.800 -0.020 0.000 1.059 496 D HN 0.609 nan 8.370 nan 0.000 0.515 497 T N 1.964 116.508 114.554 -0.016 0.000 2.788 497 T HA -0.150 4.200 4.350 0.000 0.000 0.268 497 T C 1.185 175.893 174.700 0.015 0.000 1.044 497 T CA 0.952 63.049 62.100 -0.006 0.000 1.139 497 T CB 0.155 69.024 68.868 0.002 0.000 0.867 497 T HN 0.459 nan 8.240 nan 0.000 0.454 498 D N 1.368 121.787 120.400 0.031 0.000 2.097 498 D HA -0.128 4.512 4.640 0.000 0.000 0.195 498 D C 1.977 178.297 176.300 0.033 0.000 0.989 498 D CA 1.167 55.204 54.000 0.061 0.000 0.827 498 D CB -0.507 40.335 40.800 0.070 0.000 0.966 498 D HN 0.330 nan 8.370 nan 0.000 0.456 499 D N 1.134 121.543 120.400 0.015 0.000 2.104 499 D HA -0.149 4.491 4.640 0.000 0.000 0.194 499 D C 2.163 178.453 176.300 -0.017 0.000 0.994 499 D CA 0.922 54.923 54.000 0.002 0.000 0.830 499 D CB -0.153 40.645 40.800 -0.004 0.000 0.959 499 D HN -0.003 nan 8.370 nan 0.000 0.452 500 V N 0.056 119.958 119.914 -0.022 0.000 2.255 500 V HA -0.232 3.888 4.120 0.000 0.000 0.247 500 V C 2.801 178.863 176.094 -0.052 0.000 1.051 500 V CA 1.604 63.886 62.300 -0.029 0.000 1.018 500 V CB -0.594 31.217 31.823 -0.020 0.000 0.641 500 V HN 0.147 nan 8.190 nan 0.000 0.445 501 V N -0.092 119.780 119.914 -0.069 0.000 2.343 501 V HA -0.255 3.865 4.120 0.000 0.000 0.247 501 V C 2.620 178.525 176.094 -0.315 0.000 1.051 501 V CA 2.257 64.459 62.300 -0.163 0.000 1.036 501 V CB -0.825 30.903 31.823 -0.159 0.000 0.654 501 V HN 0.464 nan 8.190 nan 0.000 0.451 502 R N -0.234 120.115 120.500 -0.251 0.000 2.096 502 R HA -0.155 4.186 4.340 0.000 0.000 0.235 502 R C 2.632 178.876 176.300 -0.094 0.000 1.127 502 R CA 1.753 57.748 56.100 -0.175 0.000 0.968 502 R CB -0.442 29.876 30.300 0.029 0.000 0.861 502 R HN 0.508 nan 8.270 nan 0.000 0.440 503 S N -0.170 115.489 115.700 -0.068 0.000 2.356 503 S HA -0.099 4.372 4.470 0.000 0.000 0.223 503 S C 1.983 176.551 174.600 -0.053 0.000 1.032 503 S CA 1.543 59.717 58.200 -0.044 0.000 1.005 503 S CB -0.165 63.016 63.200 -0.033 0.000 0.867 503 S HN 0.217 nan 8.310 nan 0.000 0.449 504 V N 2.306 122.177 119.914 -0.072 0.000 2.407 504 V HA -0.123 3.997 4.120 0.000 0.000 0.248 504 V C 2.840 178.888 176.094 -0.075 0.000 1.055 504 V CA 1.668 63.927 62.300 -0.069 0.000 1.049 504 V CB -1.468 30.310 31.823 -0.074 0.000 0.662 504 V HN 0.609 nan 8.190 nan 0.000 0.455 505 A N 0.261 123.016 122.820 -0.107 0.000 1.865 505 A HA -0.292 4.028 4.320 0.000 0.000 0.217 505 A C 2.012 179.577 177.584 -0.033 0.000 1.191 505 A CA 2.238 54.227 52.037 -0.079 0.000 0.623 505 A CB -0.798 18.140 19.000 -0.103 0.000 0.826 505 A HN 0.519 nan 8.150 nan 0.000 0.444 506 D N -0.549 119.836 120.400 -0.025 0.000 2.106 506 D HA -0.169 4.471 4.640 0.000 0.000 0.191 506 D C 2.115 178.407 176.300 -0.014 0.000 0.997 506 D CA 1.467 55.462 54.000 -0.009 0.000 0.834 506 D CB -0.406 40.390 40.800 -0.006 0.000 0.956 506 D HN 0.450 nan 8.370 nan 0.000 0.448 507 R N 0.064 120.552 120.500 -0.022 0.000 2.159 507 R HA -0.018 4.322 4.340 0.000 0.000 0.237 507 R C 1.001 177.288 176.300 -0.021 0.000 1.131 507 R CA 0.713 56.801 56.100 -0.020 0.000 0.982 507 R CB -0.280 30.005 30.300 -0.024 0.000 0.868 507 R HN 0.181 nan 8.270 nan 0.000 0.453 508 T N 0.000 114.539 114.554 -0.026 0.000 3.816 508 T HA 0.000 4.350 4.350 0.000 0.000 0.228 508 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 508 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658