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 2r4l_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGFQLNEFSS SGLGRAYSGE GAIADDAGNV SRNAALITMF DRPTFSAGAV DATA SEQUENCE YIDPDVNISG TSPSGRSLKA DNIAPTAWVP NMHFVAPIND QFGWGASITS DATA SEQUENCE NYGLATEFND TYAGGSVGGT TDLETMNLNL SGAYRLNNAW SFGLGFNAVY DATA SEQUENCE ARAKIERFAG DLGQLVAGQI MXXXXXXXXX GQALAATANG IDSNTKTAHL DATA SEQUENCE NGNQWGFGWN AGILYELDKN NRYALTYRSE VKIDFKGNYS SDLNRAFNNY DATA SEQUENCE GLPIPTATGG ATQSGYLTLN LPEMWEVSGY NRVDPQWAIH YSLAYTSWSQ DATA SEQUENCE FQQLKATSTS GDTLFQKHEG FKDAYRIALG TTYYYDDNWT FRTGIAFDDS DATA SEQUENCE PVPAQNRSIS IPDQDRFWLS AGTTYAFNKD ASVDVGVSYM HGQSVKINEG DATA SEQUENCE PYQFESEGKA WLFGTNFNYA F 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.401 177.584 -0.306 0.000 1.274 1 A CA 0.000 51.941 52.037 -0.159 0.000 0.836 1 A CB 0.000 19.111 19.000 0.186 0.000 0.831 2 G N 1.239 109.562 108.800 -0.796 0.000 3.206 2 G HA2 -0.081 3.858 3.960 -0.034 0.000 0.215 2 G HA3 -0.081 3.858 3.960 -0.034 0.000 0.215 2 G C 0.720 175.451 174.900 -0.283 0.000 1.165 2 G CA 1.965 46.590 45.100 -0.791 0.000 0.754 2 G HN 1.881 nan 8.290 nan 0.000 0.999 3 F N 0.405 120.294 119.950 -0.103 0.000 2.983 3 F HA 0.637 5.144 4.527 -0.034 0.000 0.307 3 F C 0.311 176.281 175.800 0.283 0.000 1.218 3 F CA -0.863 57.204 58.000 0.112 0.000 1.323 3 F CB -0.124 38.940 39.000 0.106 0.000 0.989 3 F HN 0.284 nan 8.300 nan 0.000 0.509 4 Q N 1.425 121.353 119.800 0.213 0.000 2.193 4 Q HA 0.717 5.036 4.340 -0.034 0.000 0.246 4 Q C -1.702 174.240 176.000 -0.096 0.000 0.959 4 Q CA -0.881 54.903 55.803 -0.031 0.000 0.904 4 Q CB 1.606 30.361 28.738 0.029 0.000 1.238 4 Q HN 0.533 nan 8.270 nan 0.000 0.469 5 L N 2.069 123.136 121.223 -0.260 0.000 2.493 5 L HA 0.358 4.677 4.340 -0.034 0.000 0.265 5 L C -0.848 175.905 176.870 -0.195 0.000 0.954 5 L CA -0.267 54.489 54.840 -0.141 0.000 0.844 5 L CB 2.085 44.093 42.059 -0.085 0.000 1.302 5 L HN 0.698 nan 8.230 nan 0.000 0.405 6 N N 2.087 120.689 118.700 -0.163 0.000 2.610 6 N HA 0.208 4.927 4.740 -0.034 0.000 0.309 6 N C -0.722 174.471 175.510 -0.527 0.000 1.536 6 N CA -0.283 52.566 53.050 -0.336 0.000 0.954 6 N CB 1.117 39.303 38.487 -0.501 0.000 1.310 6 N HN 0.559 nan 8.380 nan 0.000 0.502 7 E N 0.708 120.802 120.200 -0.177 0.000 2.989 7 E HA 0.105 4.435 4.350 -0.034 0.000 0.224 7 E C 0.340 176.924 176.600 -0.028 0.000 1.175 7 E CA -0.524 55.821 56.400 -0.092 0.000 1.300 7 E CB -0.282 29.466 29.700 0.080 0.000 1.422 7 E HN 0.445 nan 8.360 nan 0.000 0.439 8 F N -1.376 118.500 119.950 -0.124 0.000 2.664 8 F HA 0.294 4.801 4.527 -0.033 0.000 0.296 8 F C 0.684 176.583 175.800 0.165 0.000 1.125 8 F CA -0.460 57.564 58.000 0.040 0.000 1.444 8 F CB 0.470 39.496 39.000 0.043 0.000 1.114 8 F HN 0.036 nan 8.300 nan 0.000 0.576 9 S N 0.060 115.218 115.700 -0.903 0.000 2.677 9 S HA 0.372 4.822 4.470 -0.034 0.000 0.283 9 S C 0.691 175.155 174.600 -0.227 0.000 1.159 9 S CA -0.156 57.683 58.200 -0.601 0.000 1.001 9 S CB 1.133 63.739 63.200 -0.990 0.000 1.032 9 S HN 0.361 nan 8.310 nan 0.000 0.487 10 S N 3.444 119.085 115.700 -0.098 0.000 2.453 10 S HA -0.081 4.368 4.470 -0.034 0.000 0.231 10 S C 2.117 176.673 174.600 -0.073 0.000 1.005 10 S CA 1.291 59.471 58.200 -0.033 0.000 0.949 10 S CB -0.551 62.649 63.200 -0.001 0.000 0.774 10 S HN 0.952 nan 8.310 nan 0.000 0.510 11 S N 2.320 117.956 115.700 -0.106 0.000 2.353 11 S HA -0.003 4.447 4.470 -0.034 0.000 0.222 11 S C 2.072 176.600 174.600 -0.121 0.000 1.035 11 S CA 1.382 59.519 58.200 -0.106 0.000 1.025 11 S CB -1.497 61.639 63.200 -0.106 0.000 0.902 11 S HN 0.673 nan 8.310 nan 0.000 0.440 12 G N 0.563 109.272 108.800 -0.151 0.000 2.744 12 G HA2 0.089 4.029 3.960 -0.034 0.000 0.211 12 G HA3 0.089 4.029 3.960 -0.034 0.000 0.211 12 G C 1.258 175.851 174.900 -0.511 0.000 1.143 12 G CA 0.592 45.607 45.100 -0.141 0.000 0.788 12 G HN 0.506 nan 8.290 nan 0.000 0.534 13 L N 1.342 122.295 121.223 -0.451 0.000 2.291 13 L HA 0.257 4.576 4.340 -0.034 0.000 0.214 13 L C 2.551 179.240 176.870 -0.302 0.000 1.120 13 L CA 1.624 56.099 54.840 -0.607 0.000 0.799 13 L CB -0.552 41.443 42.059 -0.106 0.000 0.925 13 L HN 0.102 nan 8.230 nan 0.000 0.446 14 G N -0.166 108.534 108.800 -0.167 0.000 2.484 14 G HA2 -0.187 3.753 3.960 -0.034 0.000 0.218 14 G HA3 -0.187 3.753 3.960 -0.034 0.000 0.218 14 G C 1.300 176.192 174.900 -0.013 0.000 1.130 14 G CA 0.463 45.533 45.100 -0.050 0.000 0.784 14 G HN 0.563 nan 8.290 nan 0.000 0.543 15 R N -0.601 119.866 120.500 -0.055 0.000 2.546 15 R HA 0.605 4.924 4.340 -0.034 0.000 0.320 15 R C 1.062 177.376 176.300 0.024 0.000 1.021 15 R CA 0.317 56.453 56.100 0.060 0.000 1.088 15 R CB -0.012 30.423 30.300 0.224 0.000 1.278 15 R HN 0.345 nan 8.270 nan 0.000 0.557 16 A N 1.345 124.132 122.820 -0.056 0.000 2.860 16 A HA -0.288 4.012 4.320 -0.034 0.000 0.267 16 A C -0.064 177.427 177.584 -0.154 0.000 1.421 16 A CA 0.948 52.995 52.037 0.017 0.000 0.831 16 A CB -2.592 16.497 19.000 0.150 0.000 1.041 16 A HN 0.714 nan 8.150 nan 0.000 0.623 17 Y N -1.643 118.666 120.300 0.015 0.000 2.988 17 Y HA -0.211 4.319 4.550 -0.033 0.000 0.193 17 Y C 0.823 176.729 175.900 0.009 0.000 1.388 17 Y CA 0.828 58.929 58.100 0.002 0.000 0.904 17 Y CB -1.929 36.474 38.460 -0.094 0.000 1.297 17 Y HN 1.415 nan 8.280 nan 0.000 0.432 18 S N -0.890 114.921 115.700 0.186 0.000 2.472 18 S HA 0.706 5.155 4.470 -0.034 0.000 0.303 18 S C 0.987 175.732 174.600 0.242 0.000 1.099 18 S CA -0.283 58.034 58.200 0.195 0.000 1.077 18 S CB 2.113 65.431 63.200 0.197 0.000 1.031 18 S HN 1.418 nan 8.310 nan 0.000 0.487 19 G N 1.171 110.062 108.800 0.152 0.000 2.196 19 G HA2 -0.260 3.680 3.960 -0.034 0.000 0.268 19 G HA3 -0.260 3.680 3.960 -0.034 0.000 0.268 19 G C 0.057 174.995 174.900 0.064 0.000 0.975 19 G CA 0.427 45.575 45.100 0.080 0.000 0.648 19 G HN 0.829 nan 8.290 nan 0.000 0.538 20 E N -0.009 120.262 120.200 0.118 0.000 2.485 20 E HA 0.300 4.630 4.350 -0.034 0.000 0.266 20 E C 1.593 178.216 176.600 0.039 0.000 1.090 20 E CA 1.153 57.632 56.400 0.132 0.000 0.987 20 E CB -0.371 29.480 29.700 0.252 0.000 0.974 20 E HN 1.476 nan 8.360 nan 0.000 0.455 21 G N 0.608 109.411 108.800 0.004 0.000 2.189 21 G HA2 -0.345 3.595 3.960 -0.034 0.000 0.267 21 G HA3 -0.345 3.595 3.960 -0.034 0.000 0.267 21 G C 0.790 175.679 174.900 -0.019 0.000 0.975 21 G CA 1.166 46.251 45.100 -0.025 0.000 0.644 21 G HN 0.743 nan 8.290 nan 0.000 0.537 22 A N -1.198 121.599 122.820 -0.039 0.000 2.226 22 A HA 0.728 5.028 4.320 -0.034 0.000 0.207 22 A C 0.870 178.342 177.584 -0.187 0.000 1.293 22 A CA 0.817 52.808 52.037 -0.076 0.000 0.968 22 A CB 0.491 19.452 19.000 -0.065 0.000 1.044 22 A HN 0.919 nan 8.150 nan 0.000 0.493 23 I N -0.104 120.343 120.570 -0.206 0.000 2.677 23 I HA 0.576 4.726 4.170 -0.034 0.000 0.305 23 I C -0.120 175.820 176.117 -0.295 0.000 0.988 23 I CA -0.425 60.622 61.300 -0.422 0.000 1.260 23 I CB 1.961 39.773 38.000 -0.314 0.000 1.410 23 I HN 0.144 nan 8.210 nan 0.000 0.523 24 A N 4.204 126.802 122.820 -0.369 0.000 3.411 24 A HA 0.242 4.542 4.320 -0.034 0.000 0.238 24 A C -0.438 176.967 177.584 -0.299 0.000 1.140 24 A CA -0.455 51.441 52.037 -0.235 0.000 0.980 24 A CB -0.268 18.587 19.000 -0.241 0.000 1.371 24 A HN 0.714 nan 8.150 nan 0.000 0.700 25 D N 0.927 121.211 120.400 -0.194 0.000 2.249 25 D HA 0.117 4.737 4.640 -0.034 0.000 0.205 25 D C 0.295 176.546 176.300 -0.081 0.000 0.962 25 D CA 1.833 55.748 54.000 -0.142 0.000 0.860 25 D CB 0.428 41.187 40.800 -0.068 0.000 0.955 25 D HN 0.797 nan 8.370 nan 0.000 0.505 26 D N -2.285 118.124 120.400 0.015 0.000 2.552 26 D HA 0.494 5.113 4.640 -0.034 0.000 0.239 26 D C 0.477 176.965 176.300 0.314 0.000 1.139 26 D CA -0.857 53.231 54.000 0.147 0.000 0.914 26 D CB 1.064 41.894 40.800 0.050 0.000 1.461 26 D HN -0.159 nan 8.370 nan 0.000 0.462 27 A N 0.517 123.492 122.820 0.258 0.000 2.131 27 A HA 0.056 4.356 4.320 -0.034 0.000 0.220 27 A C 2.055 179.561 177.584 -0.129 0.000 1.158 27 A CA 1.829 53.824 52.037 -0.070 0.000 0.665 27 A CB -1.523 17.346 19.000 -0.218 0.000 0.795 27 A HN 0.727 nan 8.150 nan 0.000 0.460 28 G N 0.208 108.903 108.800 -0.174 0.000 2.503 28 G HA2 -0.346 3.593 3.960 -0.034 0.000 0.221 28 G HA3 -0.346 3.593 3.960 -0.034 0.000 0.221 28 G C 1.275 176.208 174.900 0.055 0.000 1.131 28 G CA 1.429 46.301 45.100 -0.379 0.000 0.756 28 G HN 0.644 nan 8.290 nan 0.000 0.572 29 N N -0.308 118.491 118.700 0.165 0.000 2.424 29 N HA 0.025 4.745 4.740 -0.034 0.000 0.178 29 N C 2.164 177.698 175.510 0.039 0.000 1.060 29 N CA 0.757 53.908 53.050 0.167 0.000 0.901 29 N CB 0.192 38.762 38.487 0.139 0.000 0.979 29 N HN 0.293 nan 8.380 nan 0.000 0.451 30 V N -1.108 118.832 119.914 0.042 0.000 3.026 30 V HA -0.117 3.983 4.120 -0.034 0.000 0.265 30 V C 1.803 177.892 176.094 -0.009 0.000 1.121 30 V CA 1.757 64.058 62.300 0.001 0.000 1.142 30 V CB -0.948 30.814 31.823 -0.102 0.000 0.730 30 V HN 0.336 nan 8.190 nan 0.000 0.503 31 S N -0.089 115.618 115.700 0.011 0.000 2.524 31 S HA 0.088 4.538 4.470 -0.034 0.000 0.216 31 S C 1.931 176.412 174.600 -0.199 0.000 0.987 31 S CA 0.499 58.679 58.200 -0.034 0.000 0.909 31 S CB -0.039 63.212 63.200 0.084 0.000 0.781 31 S HN 0.570 nan 8.310 nan 0.000 0.521 32 R N 2.270 122.597 120.500 -0.287 0.000 2.128 32 R HA 0.303 4.623 4.340 -0.034 0.000 0.211 32 R C -0.086 176.098 176.300 -0.194 0.000 1.067 32 R CA 1.013 56.878 56.100 -0.392 0.000 1.010 32 R CB -0.178 29.802 30.300 -0.534 0.000 0.922 32 R HN 0.518 nan 8.270 nan 0.000 0.457 33 N N -0.452 118.186 118.700 -0.104 0.000 2.701 33 N HA 0.180 4.900 4.740 -0.034 0.000 0.258 33 N C -1.175 174.338 175.510 0.006 0.000 1.262 33 N CA 0.114 53.142 53.050 -0.036 0.000 0.780 33 N CB 1.416 39.893 38.487 -0.016 0.000 1.380 33 N HN 0.151 nan 8.380 nan 0.000 0.548 34 A N 2.090 124.924 122.820 0.024 0.000 2.081 34 A HA 0.359 4.659 4.320 -0.034 0.000 0.213 34 A C 1.436 179.076 177.584 0.094 0.000 1.374 34 A CA 0.924 52.997 52.037 0.061 0.000 1.203 34 A CB -0.839 18.215 19.000 0.090 0.000 0.786 34 A HN 0.729 nan 8.150 nan 0.000 0.535 35 A N -0.937 121.930 122.820 0.077 0.000 2.035 35 A HA 0.292 4.592 4.320 -0.034 0.000 0.208 35 A C 1.625 179.257 177.584 0.079 0.000 1.206 35 A CA 0.362 52.450 52.037 0.084 0.000 0.773 35 A CB -0.234 18.799 19.000 0.054 0.000 0.878 35 A HN 0.452 nan 8.150 nan 0.000 0.469 36 L N 0.469 121.736 121.223 0.074 0.000 2.447 36 L HA -0.164 4.155 4.340 -0.034 0.000 0.225 36 L C 1.973 178.960 176.870 0.195 0.000 1.148 36 L CA 0.718 55.620 54.840 0.103 0.000 0.808 36 L CB -0.668 41.456 42.059 0.107 0.000 0.928 36 L HN 0.383 nan 8.230 nan 0.000 0.448 37 I N -0.004 120.651 120.570 0.141 0.000 2.300 37 I HA -0.339 3.811 4.170 -0.034 0.000 0.252 37 I C 2.450 178.683 176.117 0.194 0.000 1.119 37 I CA 1.929 63.302 61.300 0.122 0.000 1.384 37 I CB -0.872 37.169 38.000 0.068 0.000 1.062 37 I HN 0.472 nan 8.210 nan 0.000 0.426 38 T N -1.860 112.780 114.554 0.143 0.000 3.051 38 T HA -0.098 4.232 4.350 -0.034 0.000 0.269 38 T C 1.591 176.344 174.700 0.089 0.000 1.127 38 T CA 0.649 62.811 62.100 0.103 0.000 1.107 38 T CB -0.161 68.737 68.868 0.050 0.000 0.898 38 T HN 0.110 nan 8.240 nan 0.000 0.517 39 M N 0.666 120.327 119.600 0.102 0.000 2.319 39 M HA 0.332 4.792 4.480 -0.034 0.000 0.265 39 M C -0.334 175.857 176.300 -0.183 0.000 1.068 39 M CA -0.122 55.124 55.300 -0.089 0.000 1.118 39 M CB -0.558 31.891 32.600 -0.252 0.000 1.395 39 M HN 0.197 nan 8.290 nan 0.000 0.435 40 F N 0.318 120.233 119.950 -0.057 0.000 2.396 40 F HA 0.189 4.695 4.527 -0.034 0.000 0.343 40 F C 1.129 176.907 175.800 -0.036 0.000 1.104 40 F CA -0.748 57.217 58.000 -0.059 0.000 1.161 40 F CB 0.218 39.166 39.000 -0.087 0.000 1.146 40 F HN 0.007 nan 8.300 nan 0.000 0.522 41 D N 1.270 121.737 120.400 0.112 0.000 2.349 41 D HA 0.083 4.703 4.640 -0.034 0.000 0.214 41 D C 0.395 176.750 176.300 0.091 0.000 1.063 41 D CA 0.395 54.440 54.000 0.076 0.000 0.847 41 D CB 0.288 41.105 40.800 0.028 0.000 0.933 41 D HN 0.581 nan 8.370 nan 0.000 0.513 42 R N -1.330 119.242 120.500 0.120 0.000 2.728 42 R HA 0.517 4.837 4.340 -0.034 0.000 0.274 42 R C -3.248 173.112 176.300 0.100 0.000 1.030 42 R CA -1.659 54.507 56.100 0.109 0.000 0.876 42 R CB 0.017 30.381 30.300 0.107 0.000 1.259 42 R HN -0.342 nan 8.270 nan 0.000 0.468 43 P HA 0.131 nan 4.420 nan 0.000 0.266 43 P C -0.968 176.476 177.300 0.240 0.000 1.215 43 P CA 0.251 63.405 63.100 0.091 0.000 0.763 43 P CB 0.919 32.782 31.700 0.273 0.000 0.806 44 T N 3.785 118.346 114.554 0.011 0.000 2.912 44 T HA 0.631 4.961 4.350 -0.034 0.000 0.288 44 T C -1.056 173.789 174.700 0.241 0.000 1.030 44 T CA -0.271 61.913 62.100 0.139 0.000 1.020 44 T CB 0.798 69.744 68.868 0.131 0.000 1.056 44 T HN 0.172 nan 8.240 nan 0.000 0.480 45 F N 1.025 121.121 119.950 0.242 0.000 2.591 45 F HA 0.654 5.161 4.527 -0.033 0.000 0.309 45 F C -0.470 175.477 175.800 0.246 0.000 1.098 45 F CA -0.439 57.773 58.000 0.353 0.000 0.937 45 F CB 1.851 41.165 39.000 0.523 0.000 1.250 45 F HN 0.565 nan 8.300 nan 0.000 0.447 46 S N 3.481 119.480 115.700 0.498 0.000 2.564 46 S HA 0.940 5.390 4.470 -0.034 0.000 0.274 46 S C -1.644 173.245 174.600 0.481 0.000 1.124 46 S CA -0.089 58.380 58.200 0.447 0.000 0.869 46 S CB 1.745 65.043 63.200 0.164 0.000 1.105 46 S HN 1.293 nan 8.310 nan 0.000 0.472 47 A N 1.651 124.747 122.820 0.460 0.000 2.582 47 A HA 0.897 5.197 4.320 -0.034 0.000 0.297 47 A C -0.058 177.738 177.584 0.354 0.000 1.059 47 A CA -0.003 52.279 52.037 0.408 0.000 0.705 47 A CB 0.745 20.048 19.000 0.505 0.000 1.279 47 A HN 1.899 nan 8.150 nan 0.000 0.404 48 G N -0.716 108.228 108.800 0.241 0.000 2.335 48 G HA2 0.881 4.821 3.960 -0.034 0.000 0.291 48 G HA3 0.881 4.821 3.960 -0.034 0.000 0.291 48 G C -0.747 174.140 174.900 -0.022 0.000 1.261 48 G CA 0.477 45.689 45.100 0.186 0.000 0.871 48 G HN 2.469 nan 8.290 nan 0.000 0.491 49 A N -1.755 120.975 122.820 -0.150 0.000 2.610 49 A HA 0.833 5.133 4.320 -0.034 0.000 0.291 49 A C -1.648 175.758 177.584 -0.297 0.000 1.086 49 A CA -0.371 51.404 52.037 -0.437 0.000 0.677 49 A CB 1.631 19.852 19.000 -1.299 0.000 1.278 49 A HN 1.713 nan 8.150 nan 0.000 0.414 50 V N 1.107 120.853 119.914 -0.280 0.000 2.487 50 V HA 0.401 4.501 4.120 -0.034 0.000 0.298 50 V C -1.234 174.865 176.094 0.008 0.000 1.028 50 V CA -0.419 61.851 62.300 -0.051 0.000 0.860 50 V CB 1.495 33.342 31.823 0.038 0.000 0.991 50 V HN 0.818 nan 8.190 nan 0.000 0.427 51 Y N 5.969 126.310 120.300 0.069 0.000 2.383 51 Y HA 0.593 5.123 4.550 -0.034 0.000 0.344 51 Y C -0.196 175.849 175.900 0.242 0.000 0.986 51 Y CA -0.883 57.353 58.100 0.228 0.000 1.175 51 Y CB 0.889 39.571 38.460 0.371 0.000 1.152 51 Y HN 0.540 nan 8.280 nan 0.000 0.511 52 I N 6.444 126.933 120.570 -0.136 0.000 2.321 52 I HA 0.168 4.318 4.170 -0.034 0.000 0.291 52 I C -0.723 175.172 176.117 -0.371 0.000 0.998 52 I CA -0.348 60.855 61.300 -0.162 0.000 1.227 52 I CB 0.991 38.947 38.000 -0.072 0.000 1.368 52 I HN 0.549 nan 8.210 nan 0.000 0.466 53 D N 9.348 129.608 120.400 -0.233 0.000 2.438 53 D HA 0.394 5.014 4.640 -0.034 0.000 0.257 53 D C -2.628 173.659 176.300 -0.022 0.000 1.148 53 D CA -1.967 51.931 54.000 -0.170 0.000 0.902 53 D CB 1.530 42.340 40.800 0.018 0.000 1.062 53 D HN 0.086 nan 8.370 nan 0.000 0.518 54 P HA 0.356 nan 4.420 nan 0.000 0.279 54 P C -0.905 176.380 177.300 -0.026 0.000 1.276 54 P CA -0.413 62.650 63.100 -0.063 0.000 0.801 54 P CB 0.821 32.468 31.700 -0.088 0.000 1.127 55 D N -0.313 120.059 120.400 -0.048 0.000 2.752 55 D HA 0.213 4.833 4.640 -0.034 0.000 0.242 55 D C -1.654 174.602 176.300 -0.073 0.000 1.295 55 D CA -0.072 53.909 54.000 -0.031 0.000 0.846 55 D CB -0.113 40.704 40.800 0.029 0.000 1.454 55 D HN -0.148 nan 8.370 nan 0.000 0.535 56 V N 2.416 122.271 119.914 -0.098 0.000 2.472 56 V HA 0.622 4.722 4.120 -0.034 0.000 0.290 56 V C 0.068 176.092 176.094 -0.117 0.000 1.037 56 V CA -0.621 61.612 62.300 -0.113 0.000 0.908 56 V CB 1.688 33.435 31.823 -0.127 0.000 0.985 56 V HN 0.371 nan 8.190 nan 0.000 0.454 57 N N 3.408 122.057 118.700 -0.084 0.000 2.225 57 N HA 0.641 5.361 4.740 -0.034 0.000 0.298 57 N C -1.426 174.076 175.510 -0.013 0.000 1.076 57 N CA -0.660 52.352 53.050 -0.064 0.000 0.792 57 N CB 1.994 40.465 38.487 -0.027 0.000 1.498 57 N HN 0.407 nan 8.380 nan 0.000 0.474 58 I N 1.136 121.717 120.570 0.018 0.000 2.493 58 I HA 0.527 4.677 4.170 -0.034 0.000 0.298 58 I C -0.190 176.047 176.117 0.200 0.000 0.998 58 I CA -0.639 60.747 61.300 0.144 0.000 1.137 58 I CB 1.280 39.427 38.000 0.245 0.000 1.310 58 I HN 0.647 nan 8.210 nan 0.000 0.445 59 S N 3.047 118.886 115.700 0.231 0.000 2.540 59 S HA 0.981 5.431 4.470 -0.034 0.000 0.275 59 S C -0.408 174.310 174.600 0.196 0.000 1.123 59 S CA -0.711 57.603 58.200 0.190 0.000 0.907 59 S CB 2.588 65.860 63.200 0.121 0.000 1.081 59 S HN 1.243 nan 8.310 nan 0.000 0.476 60 G N 0.744 109.624 108.800 0.133 0.000 2.339 60 G HA2 0.454 4.394 3.960 -0.034 0.000 0.302 60 G HA3 0.454 4.394 3.960 -0.034 0.000 0.302 60 G C -1.436 173.454 174.900 -0.016 0.000 1.425 60 G CA -0.671 44.459 45.100 0.050 0.000 0.899 60 G HN 0.869 nan 8.290 nan 0.000 0.619 61 T N 0.210 114.731 114.554 -0.054 0.000 2.861 61 T HA 0.676 5.006 4.350 -0.034 0.000 0.287 61 T C 0.126 174.780 174.700 -0.076 0.000 1.003 61 T CA -0.163 61.902 62.100 -0.059 0.000 0.977 61 T CB 1.617 70.469 68.868 -0.026 0.000 0.996 61 T HN 1.089 nan 8.240 nan 0.000 0.448 62 S N 2.760 118.424 115.700 -0.061 0.000 2.554 62 S HA 0.345 4.795 4.470 -0.034 0.000 0.278 62 S C -1.605 172.995 174.600 0.001 0.000 1.242 62 S CA -1.710 56.504 58.200 0.025 0.000 1.051 62 S CB 0.792 64.076 63.200 0.140 0.000 0.986 62 S HN 0.319 nan 8.310 nan 0.000 0.502 63 P HA -0.199 nan 4.420 nan 0.000 0.219 63 P C 1.520 178.805 177.300 -0.024 0.000 1.151 63 P CA 1.882 64.958 63.100 -0.040 0.000 0.850 63 P CB -0.104 31.549 31.700 -0.077 0.000 0.784 64 S N -2.424 113.271 115.700 -0.009 0.000 2.402 64 S HA 0.026 4.475 4.470 -0.034 0.000 0.229 64 S C 1.760 176.356 174.600 -0.007 0.000 1.021 64 S CA 1.125 59.323 58.200 -0.003 0.000 0.974 64 S CB -1.194 62.014 63.200 0.014 0.000 0.800 64 S HN 0.324 nan 8.310 nan 0.000 0.484 65 G N 0.684 109.478 108.800 -0.010 0.000 2.154 65 G HA2 -0.158 3.782 3.960 -0.034 0.000 0.186 65 G HA3 -0.158 3.782 3.960 -0.034 0.000 0.186 65 G C -0.052 174.838 174.900 -0.017 0.000 1.000 65 G CA -0.394 44.699 45.100 -0.013 0.000 0.664 65 G HN 0.582 nan 8.290 nan 0.000 0.513 66 R N 0.530 121.014 120.500 -0.027 0.000 2.604 66 R HA 0.665 4.985 4.340 -0.034 0.000 0.287 66 R C 0.590 176.849 176.300 -0.068 0.000 0.970 66 R CA 0.008 56.083 56.100 -0.042 0.000 0.946 66 R CB 1.527 31.797 30.300 -0.051 0.000 1.127 66 R HN 0.232 nan 8.270 nan 0.000 0.473 67 S N 1.716 117.387 115.700 -0.049 0.000 2.568 67 S HA 0.086 4.535 4.470 -0.034 0.000 0.282 67 S C 0.611 175.154 174.600 -0.096 0.000 1.338 67 S CA -0.318 57.862 58.200 -0.034 0.000 1.045 67 S CB 0.321 63.534 63.200 0.021 0.000 0.873 67 S HN 0.526 nan 8.310 nan 0.000 0.516 68 L N 3.403 124.600 121.223 -0.042 0.000 3.110 68 L HA 0.341 4.660 4.340 -0.034 0.000 0.266 68 L C 0.652 177.803 176.870 0.469 0.000 1.257 68 L CA -0.252 54.574 54.840 -0.023 0.000 1.038 68 L CB -0.221 41.761 42.059 -0.129 0.000 1.395 68 L HN 0.634 nan 8.230 nan 0.000 0.566 69 K N 2.212 122.806 120.400 0.323 0.000 2.339 69 K HA 0.487 4.787 4.320 -0.034 0.000 0.286 69 K C -0.312 176.482 176.600 0.325 0.000 1.050 69 K CA -0.036 56.418 56.287 0.278 0.000 0.956 69 K CB 1.031 33.622 32.500 0.151 0.000 0.990 69 K HN 0.185 nan 8.250 nan 0.000 0.475 70 A N 4.896 127.829 122.820 0.189 0.000 2.466 70 A HA 0.244 4.543 4.320 -0.034 0.000 0.291 70 A C -1.479 176.043 177.584 -0.104 0.000 1.234 70 A CA -0.912 51.114 52.037 -0.019 0.000 0.752 70 A CB 0.753 19.608 19.000 -0.242 0.000 1.153 70 A HN 0.760 nan 8.150 nan 0.000 0.458 71 D N 1.665 122.020 120.400 -0.076 0.000 2.312 71 D HA 0.158 4.778 4.640 -0.034 0.000 0.252 71 D C 0.402 176.628 176.300 -0.125 0.000 1.150 71 D CA 0.905 54.862 54.000 -0.073 0.000 0.870 71 D CB 0.359 41.141 40.800 -0.029 0.000 1.153 71 D HN 0.720 nan 8.370 nan 0.000 0.457 72 N N 2.273 120.901 118.700 -0.120 0.000 2.556 72 N HA -0.209 4.510 4.740 -0.034 0.000 0.288 72 N C 0.292 175.676 175.510 -0.210 0.000 1.226 72 N CA -0.055 52.918 53.050 -0.129 0.000 0.719 72 N CB -0.505 37.937 38.487 -0.076 0.000 0.923 72 N HN 0.496 nan 8.380 nan 0.000 0.544 73 I N -0.811 119.579 120.570 -0.301 0.000 3.874 73 I HA 0.527 4.677 4.170 -0.034 0.000 0.331 73 I C 0.197 176.133 176.117 -0.302 0.000 1.489 73 I CA -0.374 60.657 61.300 -0.449 0.000 1.187 73 I CB 0.700 38.166 38.000 -0.891 0.000 1.150 73 I HN 0.275 nan 8.210 nan 0.000 0.412 74 A N 1.710 124.418 122.820 -0.187 0.000 2.569 74 A HA 0.749 5.048 4.320 -0.034 0.000 0.282 74 A C -2.781 174.750 177.584 -0.088 0.000 1.165 74 A CA -1.256 50.707 52.037 -0.124 0.000 0.747 74 A CB 0.572 19.507 19.000 -0.109 0.000 1.215 74 A HN 0.080 nan 8.150 nan 0.000 0.431 75 P HA 0.217 nan 4.420 nan 0.000 0.271 75 P C 0.897 178.178 177.300 -0.032 0.000 1.238 75 P CA 0.118 63.196 63.100 -0.036 0.000 0.794 75 P CB 0.479 32.168 31.700 -0.019 0.000 0.959 76 T N -1.944 112.604 114.554 -0.011 0.000 2.689 76 T HA 0.567 4.897 4.350 -0.034 0.000 0.308 76 T C -0.118 174.584 174.700 0.003 0.000 1.021 76 T CA -0.426 61.638 62.100 -0.061 0.000 0.973 76 T CB 0.147 69.024 68.868 0.016 0.000 1.113 76 T HN 0.569 nan 8.240 nan 0.000 0.522 77 A N -0.487 122.341 122.820 0.013 0.000 2.547 77 A HA 0.474 4.774 4.320 -0.034 0.000 0.298 77 A C -1.977 175.784 177.584 0.295 0.000 1.062 77 A CA -0.866 51.254 52.037 0.138 0.000 0.748 77 A CB 0.665 19.700 19.000 0.059 0.000 1.288 77 A HN 0.810 nan 8.150 nan 0.000 0.396 78 W N 3.419 124.809 121.300 0.150 0.000 2.309 78 W HA 0.536 5.176 4.660 -0.034 0.000 0.332 78 W C -0.761 175.837 176.519 0.132 0.000 0.962 78 W CA -0.503 56.955 57.345 0.189 0.000 1.497 78 W CB 1.542 31.105 29.460 0.172 0.000 1.308 78 W HN 0.475 nan 8.180 nan 0.000 0.384 79 V N 8.752 128.629 119.914 -0.062 0.000 2.339 79 V HA 0.229 4.329 4.120 -0.034 0.000 0.261 79 V C -1.348 174.626 176.094 -0.201 0.000 1.058 79 V CA -1.561 60.699 62.300 -0.066 0.000 0.897 79 V CB 0.091 31.902 31.823 -0.021 0.000 1.052 79 V HN 0.296 nan 8.190 nan 0.000 0.480 80 P HA 0.388 nan 4.420 nan 0.000 0.297 80 P C -1.001 176.266 177.300 -0.055 0.000 1.303 80 P CA -0.522 62.469 63.100 -0.181 0.000 0.753 80 P CB 1.025 32.693 31.700 -0.053 0.000 1.281 81 N N -2.555 116.143 118.700 -0.004 0.000 3.217 81 N HA 0.459 5.179 4.740 -0.034 0.000 0.236 81 N C -1.587 173.970 175.510 0.079 0.000 1.136 81 N CA -0.560 52.507 53.050 0.028 0.000 0.997 81 N CB 0.643 39.206 38.487 0.126 0.000 1.658 81 N HN 0.348 nan 8.380 nan 0.000 0.527 82 M N 1.204 120.758 119.600 -0.077 0.000 2.433 82 M HA 0.487 4.947 4.480 -0.034 0.000 0.290 82 M C -1.883 174.251 176.300 -0.278 0.000 1.173 82 M CA -0.363 54.928 55.300 -0.014 0.000 0.905 82 M CB 1.851 34.441 32.600 -0.017 0.000 1.692 82 M HN 0.936 nan 8.290 nan 0.000 0.462 83 H N 1.680 120.647 119.070 -0.173 0.000 3.012 83 H HA 0.677 5.213 4.556 -0.034 0.000 0.367 83 H C -1.911 173.238 175.328 -0.298 0.000 1.211 83 H CA -0.616 55.328 56.048 -0.173 0.000 1.139 83 H CB 1.869 31.579 29.762 -0.087 0.000 1.838 83 H HN 0.517 nan 8.280 nan 0.000 0.550 84 F N 1.633 121.390 119.950 -0.322 0.000 2.578 84 F HA 0.684 5.190 4.527 -0.035 0.000 0.311 84 F C -1.672 173.841 175.800 -0.479 0.000 1.094 84 F CA -0.846 56.900 58.000 -0.424 0.000 0.923 84 F CB 1.581 40.313 39.000 -0.446 0.000 1.230 84 F HN 0.361 nan 8.300 nan 0.000 0.450 85 V N 3.868 123.009 119.914 -1.289 0.000 2.733 85 V HA 0.943 5.043 4.120 -0.034 0.000 0.306 85 V C -0.868 174.486 176.094 -1.233 0.000 1.084 85 V CA -0.634 60.953 62.300 -1.189 0.000 0.905 85 V CB 1.108 32.200 31.823 -1.217 0.000 1.010 85 V HN 1.124 nan 8.190 nan 0.000 0.424 86 A N 5.602 127.826 122.820 -0.992 0.000 2.549 86 A HA 0.999 5.299 4.320 -0.034 0.000 0.297 86 A C -3.311 174.180 177.584 -0.154 0.000 1.061 86 A CA -1.609 50.114 52.037 -0.523 0.000 0.690 86 A CB 2.526 21.277 19.000 -0.415 0.000 1.287 86 A HN 0.597 nan 8.150 nan 0.000 0.402 87 P HA 0.531 nan 4.420 nan 0.000 0.290 87 P C 0.189 177.619 177.300 0.215 0.000 1.276 87 P CA -0.345 62.839 63.100 0.140 0.000 0.808 87 P CB 0.934 32.704 31.700 0.117 0.000 0.966 88 I N 1.045 121.776 120.570 0.269 0.000 2.810 88 I HA 0.135 4.285 4.170 -0.034 0.000 0.262 88 I C 1.061 177.294 176.117 0.193 0.000 1.131 88 I CA 0.689 62.133 61.300 0.240 0.000 1.453 88 I CB 0.064 38.209 38.000 0.241 0.000 1.161 88 I HN 0.401 nan 8.210 nan 0.000 0.444 89 N N -0.021 118.820 118.700 0.234 0.000 2.774 89 N HA 0.116 4.836 4.740 -0.034 0.000 0.264 89 N C -1.038 174.589 175.510 0.194 0.000 1.415 89 N CA -0.524 52.653 53.050 0.212 0.000 0.815 89 N CB 1.800 40.451 38.487 0.273 0.000 1.514 89 N HN -0.171 nan 8.380 nan 0.000 0.523 90 D N 0.841 121.334 120.400 0.156 0.000 2.348 90 D HA 0.031 4.650 4.640 -0.034 0.000 0.248 90 D C 0.163 176.532 176.300 0.114 0.000 1.142 90 D CA 0.923 54.994 54.000 0.118 0.000 0.904 90 D CB 0.221 41.077 40.800 0.093 0.000 0.901 90 D HN 0.358 nan 8.370 nan 0.000 0.523 91 Q N -1.451 118.445 119.800 0.160 0.000 1.892 91 Q HA 0.140 4.460 4.340 -0.034 0.000 0.200 91 Q C -0.372 175.626 176.000 -0.004 0.000 0.726 91 Q CA 0.045 55.896 55.803 0.080 0.000 0.853 91 Q CB 1.264 30.094 28.738 0.154 0.000 1.211 91 Q HN 0.192 nan 8.270 nan 0.000 0.420 92 F N -0.123 119.957 119.950 0.216 0.000 2.563 92 F HA 0.733 5.240 4.527 -0.032 0.000 0.316 92 F C 0.466 176.385 175.800 0.198 0.000 1.076 92 F CA -0.804 57.333 58.000 0.229 0.000 0.921 92 F CB 2.464 41.582 39.000 0.196 0.000 1.209 92 F HN -0.109 nan 8.300 nan 0.000 0.462 93 G N 1.328 110.390 108.800 0.438 0.000 2.704 93 G HA2 0.557 4.497 3.960 -0.034 0.000 0.293 93 G HA3 0.557 4.497 3.960 -0.034 0.000 0.293 93 G C -2.168 172.966 174.900 0.389 0.000 1.421 93 G CA -0.742 44.558 45.100 0.333 0.000 0.870 93 G HN 0.723 nan 8.290 nan 0.000 0.492 94 W N 0.051 121.401 121.300 0.083 0.000 3.205 94 W HA 0.884 5.525 4.660 -0.031 0.000 0.336 94 W C -0.235 176.283 176.519 -0.001 0.000 1.171 94 W CA -1.074 56.315 57.345 0.074 0.000 1.035 94 W CB 1.195 30.710 29.460 0.091 0.000 1.500 94 W HN 1.574 nan 8.180 nan 0.000 0.602 95 G N -0.436 108.278 108.800 -0.143 0.000 2.368 95 G HA2 0.645 4.584 3.960 -0.034 0.000 0.293 95 G HA3 0.645 4.584 3.960 -0.034 0.000 0.293 95 G C -2.422 172.429 174.900 -0.083 0.000 1.467 95 G CA -0.080 44.702 45.100 -0.531 0.000 0.804 95 G HN 1.188 nan 8.290 nan 0.000 0.535 96 A N -0.460 122.298 122.820 -0.103 0.000 2.539 96 A HA 1.025 5.325 4.320 -0.034 0.000 0.296 96 A C -0.221 177.348 177.584 -0.026 0.000 1.073 96 A CA 0.083 52.154 52.037 0.057 0.000 0.700 96 A CB 1.866 20.974 19.000 0.181 0.000 1.296 96 A HN 2.383 nan 8.150 nan 0.000 0.405 97 S N 0.559 116.228 115.700 -0.050 0.000 2.562 97 S HA 0.635 5.084 4.470 -0.034 0.000 0.274 97 S C -1.098 173.395 174.600 -0.178 0.000 1.160 97 S CA -0.468 57.614 58.200 -0.198 0.000 0.933 97 S CB 0.563 63.598 63.200 -0.275 0.000 1.100 97 S HN 0.681 nan 8.310 nan 0.000 0.468 98 I N 3.735 124.180 120.570 -0.208 0.000 2.304 98 I HA 0.555 4.704 4.170 -0.034 0.000 0.291 98 I C 0.335 176.361 176.117 -0.152 0.000 1.018 98 I CA 0.029 61.260 61.300 -0.115 0.000 1.260 98 I CB 1.244 39.213 38.000 -0.051 0.000 1.390 98 I HN 0.992 nan 8.210 nan 0.000 0.475 99 T N 1.149 115.642 114.554 -0.101 0.000 2.792 99 T HA 0.408 4.738 4.350 -0.034 0.000 0.303 99 T C -0.838 173.841 174.700 -0.036 0.000 1.310 99 T CA -0.831 61.230 62.100 -0.065 0.000 1.007 99 T CB 1.915 70.754 68.868 -0.049 0.000 1.335 99 T HN 0.306 nan 8.240 nan 0.000 0.504 100 S N 0.304 115.993 115.700 -0.019 0.000 2.498 100 S HA 0.445 4.894 4.470 -0.034 0.000 0.317 100 S C 0.184 174.753 174.600 -0.052 0.000 1.090 100 S CA -0.782 57.408 58.200 -0.017 0.000 1.089 100 S CB 0.299 63.499 63.200 0.001 0.000 0.997 100 S HN 0.640 nan 8.310 nan 0.000 0.470 101 N N 2.935 121.593 118.700 -0.069 0.000 2.282 101 N HA 0.158 4.878 4.740 -0.034 0.000 0.185 101 N C -1.221 173.966 175.510 -0.538 0.000 1.099 101 N CA 0.488 53.380 53.050 -0.263 0.000 0.878 101 N CB 0.497 38.844 38.487 -0.234 0.000 0.993 101 N HN 0.597 nan 8.380 nan 0.000 0.481 102 Y N -0.540 119.762 120.300 0.003 0.000 2.457 102 Y HA 0.608 5.137 4.550 -0.034 0.000 0.343 102 Y C 0.450 176.402 175.900 0.085 0.000 0.994 102 Y CA -0.898 57.255 58.100 0.087 0.000 1.031 102 Y CB 2.483 41.007 38.460 0.106 0.000 1.246 102 Y HN -0.114 nan 8.280 nan 0.000 0.449 103 G N 1.799 110.767 108.800 0.280 0.000 2.489 103 G HA2 0.565 4.505 3.960 -0.034 0.000 0.291 103 G HA3 0.565 4.505 3.960 -0.034 0.000 0.291 103 G C -2.748 172.230 174.900 0.129 0.000 1.487 103 G CA -0.604 44.581 45.100 0.140 0.000 0.795 103 G HN 0.558 nan 8.290 nan 0.000 0.513 104 L N -0.498 120.742 121.223 0.029 0.000 2.765 104 L HA 0.976 5.296 4.340 -0.034 0.000 0.263 104 L C -0.877 175.981 176.870 -0.020 0.000 1.068 104 L CA 0.046 54.893 54.840 0.011 0.000 0.903 104 L CB 2.092 44.123 42.059 -0.046 0.000 1.512 104 L HN 2.096 nan 8.230 nan 0.000 0.404 105 A N 0.894 123.702 122.820 -0.021 0.000 2.392 105 A HA 0.551 4.851 4.320 -0.034 0.000 0.289 105 A C -0.985 176.576 177.584 -0.038 0.000 1.309 105 A CA -0.159 51.861 52.037 -0.029 0.000 0.920 105 A CB -0.082 18.904 19.000 -0.023 0.000 1.395 105 A HN 0.476 nan 8.150 nan 0.000 0.511 106 T N 1.562 116.102 114.554 -0.023 0.000 2.821 106 T HA 0.408 4.738 4.350 -0.034 0.000 0.307 106 T C -0.438 174.267 174.700 0.008 0.000 1.034 106 T CA -0.049 62.035 62.100 -0.027 0.000 0.953 106 T CB 0.944 69.838 68.868 0.045 0.000 0.968 106 T HN 0.542 nan 8.240 nan 0.000 0.462 107 E N 3.532 123.679 120.200 -0.089 0.000 2.183 107 E HA 0.312 4.642 4.350 -0.034 0.000 0.250 107 E C -0.898 175.626 176.600 -0.127 0.000 0.901 107 E CA -0.484 55.892 56.400 -0.040 0.000 0.741 107 E CB 0.565 30.239 29.700 -0.043 0.000 1.182 107 E HN 0.405 nan 8.360 nan 0.000 0.425 108 F N 1.703 121.577 119.950 -0.126 0.000 2.382 108 F HA 0.180 4.686 4.527 -0.034 0.000 0.331 108 F C 1.417 177.125 175.800 -0.153 0.000 1.121 108 F CA -0.423 57.456 58.000 -0.202 0.000 1.183 108 F CB 0.494 39.311 39.000 -0.304 0.000 1.207 108 F HN 0.311 nan 8.300 nan 0.000 0.555 109 N N 1.423 120.145 118.700 0.037 0.000 2.441 109 N HA -0.080 4.640 4.740 -0.034 0.000 0.251 109 N C 0.358 175.789 175.510 -0.132 0.000 1.242 109 N CA 0.055 53.090 53.050 -0.025 0.000 0.898 109 N CB 0.711 39.202 38.487 0.007 0.000 1.100 109 N HN 0.560 nan 8.380 nan 0.000 0.443 110 D N 0.272 120.500 120.400 -0.286 0.000 2.384 110 D HA -0.096 4.524 4.640 -0.034 0.000 0.222 110 D C 1.233 177.217 176.300 -0.526 0.000 0.976 110 D CA 1.129 54.683 54.000 -0.742 0.000 0.915 110 D CB 0.027 40.475 40.800 -0.587 0.000 0.896 110 D HN 0.642 nan 8.370 nan 0.000 0.523 111 T N -3.439 110.996 114.554 -0.199 0.000 3.129 111 T HA 0.051 4.381 4.350 -0.034 0.000 0.267 111 T C 0.397 175.107 174.700 0.016 0.000 1.018 111 T CA -0.723 61.324 62.100 -0.088 0.000 0.903 111 T CB -0.591 68.252 68.868 -0.042 0.000 1.067 111 T HN -0.026 nan 8.240 nan 0.000 0.549 112 Y N 2.449 122.693 120.300 -0.094 0.000 2.632 112 Y HA 0.444 4.974 4.550 -0.034 0.000 0.329 112 Y C 1.574 177.438 175.900 -0.060 0.000 1.174 112 Y CA -0.561 57.521 58.100 -0.031 0.000 1.469 112 Y CB 0.536 39.015 38.460 0.031 0.000 1.242 112 Y HN 0.246 nan 8.280 nan 0.000 0.540 113 A N 4.257 126.852 122.820 -0.375 0.000 2.076 113 A HA -0.078 4.222 4.320 -0.034 0.000 0.220 113 A C 1.955 179.276 177.584 -0.438 0.000 1.160 113 A CA 1.490 53.340 52.037 -0.312 0.000 0.653 113 A CB -0.978 17.863 19.000 -0.265 0.000 0.801 113 A HN 1.022 nan 8.150 nan 0.000 0.455 114 G N -1.160 107.121 108.800 -0.865 0.000 3.448 114 G HA2 0.345 4.285 3.960 -0.034 0.000 0.261 114 G HA3 0.345 4.285 3.960 -0.034 0.000 0.261 114 G C 1.122 175.959 174.900 -0.104 0.000 1.173 114 G CA 0.710 45.308 45.100 -0.836 0.000 0.835 114 G HN 0.561 nan 8.290 nan 0.000 0.534 115 G N 1.721 110.545 108.800 0.039 0.000 2.545 115 G HA2 -0.355 3.585 3.960 -0.034 0.000 0.222 115 G HA3 -0.355 3.585 3.960 -0.034 0.000 0.222 115 G C 2.213 177.223 174.900 0.184 0.000 1.126 115 G CA 1.905 47.097 45.100 0.154 0.000 0.754 115 G HN 0.703 nan 8.290 nan 0.000 0.583 116 S N 0.399 116.217 115.700 0.195 0.000 2.387 116 S HA -0.190 4.259 4.470 -0.034 0.000 0.230 116 S C 2.190 176.892 174.600 0.170 0.000 1.035 116 S CA 2.241 60.564 58.200 0.205 0.000 1.014 116 S CB -0.695 62.648 63.200 0.238 0.000 0.836 116 S HN 0.971 nan 8.310 nan 0.000 0.466 117 V N -2.553 117.440 119.914 0.131 0.000 3.578 117 V HA 0.635 4.735 4.120 -0.034 0.000 0.290 117 V C 0.912 176.913 176.094 -0.155 0.000 1.376 117 V CA 0.092 62.422 62.300 0.051 0.000 1.083 117 V CB -0.023 31.867 31.823 0.112 0.000 0.911 117 V HN 0.530 nan 8.190 nan 0.000 0.433 118 G N -0.080 108.546 108.800 -0.291 0.000 4.332 118 G HA2 0.593 4.532 3.960 -0.034 0.000 0.321 118 G HA3 0.593 4.532 3.960 -0.034 0.000 0.321 118 G C 0.226 174.851 174.900 -0.457 0.000 1.439 118 G CA 0.375 44.974 45.100 -0.834 0.000 0.900 118 G HN 0.562 nan 8.290 nan 0.000 0.515 119 G N 0.381 109.175 108.800 -0.010 0.000 3.199 119 G HA2 0.508 4.448 3.960 -0.034 0.000 0.184 119 G HA3 0.508 4.448 3.960 -0.034 0.000 0.184 119 G C -0.042 175.015 174.900 0.262 0.000 1.974 119 G CA 0.141 45.395 45.100 0.256 0.000 0.885 119 G HN 0.420 nan 8.290 nan 0.000 0.575 120 T N 0.298 114.980 114.554 0.214 0.000 2.863 120 T HA 0.637 4.967 4.350 -0.034 0.000 0.285 120 T C -1.110 173.614 174.700 0.039 0.000 1.009 120 T CA -0.177 62.002 62.100 0.132 0.000 0.989 120 T CB 1.821 70.759 68.868 0.116 0.000 1.004 120 T HN 0.403 nan 8.240 nan 0.000 0.455 121 T N 2.707 117.269 114.554 0.014 0.000 3.335 121 T HA 0.487 4.817 4.350 -0.034 0.000 0.321 121 T C -1.517 173.142 174.700 -0.068 0.000 0.960 121 T CA -0.899 61.175 62.100 -0.043 0.000 1.034 121 T CB 1.169 70.029 68.868 -0.012 0.000 1.040 121 T HN 0.399 nan 8.240 nan 0.000 0.454 122 D N 1.867 122.199 120.400 -0.114 0.000 2.433 122 D HA 0.784 5.404 4.640 -0.034 0.000 0.236 122 D C -1.014 175.191 176.300 -0.159 0.000 1.026 122 D CA -0.569 53.364 54.000 -0.113 0.000 0.884 122 D CB 2.162 42.901 40.800 -0.102 0.000 1.384 122 D HN 0.410 nan 8.370 nan 0.000 0.477 123 L N 0.720 121.862 121.223 -0.135 0.000 2.753 123 L HA 0.316 4.636 4.340 -0.034 0.000 0.259 123 L C -1.519 175.302 176.870 -0.082 0.000 0.958 123 L CA -0.199 54.552 54.840 -0.148 0.000 0.955 123 L CB 1.398 43.321 42.059 -0.227 0.000 1.317 123 L HN 0.337 nan 8.230 nan 0.000 0.436 124 E N 2.787 122.934 120.200 -0.089 0.000 2.191 124 E HA 0.742 5.071 4.350 -0.034 0.000 0.274 124 E C -0.883 175.666 176.600 -0.084 0.000 0.948 124 E CA -0.799 55.565 56.400 -0.060 0.000 0.802 124 E CB 1.970 31.633 29.700 -0.060 0.000 1.137 124 E HN 0.531 nan 8.360 nan 0.000 0.397 125 T N 2.676 117.207 114.554 -0.037 0.000 2.928 125 T HA 0.364 4.694 4.350 -0.034 0.000 0.296 125 T C -0.875 173.801 174.700 -0.040 0.000 1.000 125 T CA -0.597 61.471 62.100 -0.053 0.000 0.989 125 T CB 0.949 69.849 68.868 0.053 0.000 1.005 125 T HN 0.355 nan 8.240 nan 0.000 0.442 126 M N 4.094 123.646 119.600 -0.080 0.000 2.243 126 M HA 0.497 4.956 4.480 -0.034 0.000 0.324 126 M C -1.162 175.096 176.300 -0.069 0.000 1.031 126 M CA -0.674 54.600 55.300 -0.042 0.000 0.949 126 M CB 1.024 33.621 32.600 -0.004 0.000 1.615 126 M HN 0.427 nan 8.290 nan 0.000 0.430 127 N N 6.763 125.436 118.700 -0.044 0.000 2.626 127 N HA 0.329 5.049 4.740 -0.034 0.000 0.242 127 N C -1.773 173.714 175.510 -0.039 0.000 1.005 127 N CA -0.274 52.744 53.050 -0.052 0.000 0.905 127 N CB 0.867 39.320 38.487 -0.056 0.000 1.128 127 N HN 0.808 nan 8.380 nan 0.000 0.512 128 L N 2.792 124.015 121.223 0.000 0.000 2.315 128 L HA 0.271 4.591 4.340 -0.034 0.000 0.283 128 L C 0.383 177.244 176.870 -0.014 0.000 1.089 128 L CA -0.417 54.439 54.840 0.027 0.000 0.833 128 L CB 0.291 42.422 42.059 0.119 0.000 1.170 128 L HN 0.474 nan 8.230 nan 0.000 0.442 129 N N 3.800 122.495 118.700 -0.007 0.000 2.321 129 N HA 0.637 5.356 4.740 -0.034 0.000 0.299 129 N C -1.454 174.115 175.510 0.098 0.000 1.048 129 N CA -0.552 52.504 53.050 0.010 0.000 0.836 129 N CB 1.758 40.235 38.487 -0.017 0.000 1.269 129 N HN 0.468 nan 8.380 nan 0.000 0.486 130 L N 2.836 124.163 121.223 0.173 0.000 2.446 130 L HA 0.605 4.925 4.340 -0.034 0.000 0.268 130 L C -1.123 175.923 176.870 0.294 0.000 0.975 130 L CA -0.123 54.884 54.840 0.278 0.000 0.848 130 L CB 1.077 43.340 42.059 0.340 0.000 1.225 130 L HN 0.783 nan 8.230 nan 0.000 0.410 131 S N 2.561 118.424 115.700 0.271 0.000 2.627 131 S HA 1.015 5.464 4.470 -0.034 0.000 0.283 131 S C -0.498 174.276 174.600 0.290 0.000 1.127 131 S CA -0.247 58.106 58.200 0.256 0.000 0.863 131 S CB 2.026 65.339 63.200 0.188 0.000 1.121 131 S HN 0.798 nan 8.310 nan 0.000 0.479 132 G N -0.510 108.459 108.800 0.281 0.000 2.642 132 G HA2 0.871 4.810 3.960 -0.034 0.000 0.293 132 G HA3 0.871 4.810 3.960 -0.034 0.000 0.293 132 G C -1.011 174.073 174.900 0.307 0.000 1.341 132 G CA -0.495 44.798 45.100 0.322 0.000 0.916 132 G HN 1.344 nan 8.290 nan 0.000 0.474 133 A N -0.487 122.537 122.820 0.340 0.000 2.564 133 A HA 0.915 5.215 4.320 -0.034 0.000 0.288 133 A C -1.903 175.870 177.584 0.315 0.000 1.164 133 A CA -0.782 51.440 52.037 0.307 0.000 0.712 133 A CB 1.758 20.885 19.000 0.212 0.000 1.303 133 A HN 1.939 nan 8.150 nan 0.000 0.418 134 Y N 0.066 120.374 120.300 0.013 0.000 2.482 134 Y HA 0.653 5.186 4.550 -0.028 0.000 0.334 134 Y C -0.661 175.172 175.900 -0.111 0.000 1.091 134 Y CA -0.582 57.292 58.100 -0.376 0.000 1.027 134 Y CB 1.390 39.408 38.460 -0.738 0.000 1.306 134 Y HN 0.859 nan 8.280 nan 0.000 0.446 135 R N 6.659 126.670 120.500 -0.814 0.000 2.215 135 R HA 0.319 4.638 4.340 -0.034 0.000 0.336 135 R C -0.344 175.411 176.300 -0.907 0.000 0.996 135 R CA -0.537 55.194 56.100 -0.614 0.000 0.847 135 R CB 1.157 31.317 30.300 -0.233 0.000 1.127 135 R HN 0.972 nan 8.270 nan 0.000 0.465 136 L N 4.558 125.392 121.223 -0.649 0.000 1.937 136 L HA -0.021 4.299 4.340 -0.034 0.000 0.213 136 L C 0.282 177.096 176.870 -0.095 0.000 1.077 136 L CA 2.236 56.871 54.840 -0.341 0.000 0.758 136 L CB -0.336 41.692 42.059 -0.051 0.000 0.888 136 L HN 0.927 nan 8.230 nan 0.000 0.433 137 N N -2.765 115.968 118.700 0.055 0.000 3.091 137 N HA 0.135 4.855 4.740 -0.034 0.000 0.329 137 N C 0.104 175.677 175.510 0.106 0.000 1.430 137 N CA -0.132 52.976 53.050 0.096 0.000 0.755 137 N CB 0.060 38.642 38.487 0.157 0.000 1.626 137 N HN 0.192 nan 8.380 nan 0.000 0.614 138 N N -0.793 117.964 118.700 0.094 0.000 2.571 138 N HA -0.075 4.645 4.740 -0.034 0.000 0.189 138 N C 0.734 176.299 175.510 0.090 0.000 1.154 138 N CA 0.651 53.743 53.050 0.070 0.000 0.907 138 N CB -0.086 38.429 38.487 0.047 0.000 0.977 138 N HN 0.565 nan 8.380 nan 0.000 0.449 139 A N -0.089 122.832 122.820 0.169 0.000 1.909 139 A HA 0.269 4.569 4.320 -0.034 0.000 0.209 139 A C 0.032 177.737 177.584 0.202 0.000 1.247 139 A CA 0.231 52.355 52.037 0.146 0.000 0.660 139 A CB -0.177 18.869 19.000 0.078 0.000 0.910 139 A HN 0.323 nan 8.150 nan 0.000 0.465 140 W N -1.328 120.033 121.300 0.102 0.000 2.820 140 W HA 0.811 5.453 4.660 -0.030 0.000 0.350 140 W C -0.542 175.940 176.519 -0.061 0.000 1.116 140 W CA -1.504 55.848 57.345 0.011 0.000 1.146 140 W CB 0.322 29.728 29.460 -0.090 0.000 1.433 140 W HN -0.022 nan 8.180 nan 0.000 0.561 141 S N 0.591 116.337 115.700 0.077 0.000 2.549 141 S HA 0.780 5.230 4.470 -0.034 0.000 0.280 141 S C -1.597 172.914 174.600 -0.148 0.000 1.109 141 S CA -0.649 57.568 58.200 0.028 0.000 0.905 141 S CB 1.302 64.527 63.200 0.041 0.000 1.081 141 S HN 0.211 nan 8.310 nan 0.000 0.477 142 F N 0.741 120.723 119.950 0.054 0.000 2.546 142 F HA 0.813 5.322 4.527 -0.030 0.000 0.320 142 F C 0.744 176.630 175.800 0.143 0.000 1.076 142 F CA -0.632 57.436 58.000 0.112 0.000 0.928 142 F CB 2.151 41.223 39.000 0.120 0.000 1.189 142 F HN 0.733 nan 8.300 nan 0.000 0.465 143 G N 2.089 111.075 108.800 0.310 0.000 2.731 143 G HA2 0.653 4.592 3.960 -0.034 0.000 0.298 143 G HA3 0.653 4.592 3.960 -0.034 0.000 0.298 143 G C -2.454 172.605 174.900 0.264 0.000 1.424 143 G CA -0.597 44.661 45.100 0.264 0.000 1.029 143 G HN 0.509 nan 8.290 nan 0.000 0.518 144 L N 0.948 122.333 121.223 0.270 0.000 2.362 144 L HA 0.926 5.246 4.340 -0.034 0.000 0.271 144 L C 0.419 177.454 176.870 0.274 0.000 1.002 144 L CA -0.185 54.830 54.840 0.291 0.000 0.818 144 L CB 2.421 44.643 42.059 0.271 0.000 1.298 144 L HN 0.841 nan 8.230 nan 0.000 0.420 145 G N 1.769 110.749 108.800 0.301 0.000 2.659 145 G HA2 0.529 4.469 3.960 -0.034 0.000 0.296 145 G HA3 0.529 4.469 3.960 -0.034 0.000 0.296 145 G C -2.208 172.918 174.900 0.377 0.000 1.369 145 G CA -0.411 44.859 45.100 0.284 0.000 0.937 145 G HN 0.313 nan 8.290 nan 0.000 0.485 146 F N 1.295 121.358 119.950 0.188 0.000 2.467 146 F HA 0.666 5.176 4.527 -0.029 0.000 0.336 146 F C -0.824 175.087 175.800 0.185 0.000 1.123 146 F CA -1.599 56.523 58.000 0.204 0.000 0.964 146 F CB 1.848 40.954 39.000 0.177 0.000 1.136 146 F HN 0.346 nan 8.300 nan 0.000 0.447 147 N N 3.950 122.386 118.700 -0.440 0.000 2.342 147 N HA 0.682 5.402 4.740 -0.034 0.000 0.293 147 N C -1.442 173.696 175.510 -0.620 0.000 1.026 147 N CA -0.721 52.077 53.050 -0.420 0.000 0.857 147 N CB 2.065 40.443 38.487 -0.182 0.000 1.256 147 N HN 0.665 nan 8.380 nan 0.000 0.484 148 A N 1.658 124.227 122.820 -0.417 0.000 2.316 148 A HA 0.531 4.831 4.320 -0.034 0.000 0.324 148 A C -0.493 177.085 177.584 -0.010 0.000 1.375 148 A CA -0.581 51.304 52.037 -0.253 0.000 0.882 148 A CB 0.158 19.177 19.000 0.031 0.000 1.152 148 A HN 0.473 nan 8.150 nan 0.000 0.512 149 V N 2.400 122.211 119.914 -0.172 0.000 2.644 149 V HA 0.292 4.392 4.120 -0.034 0.000 0.295 149 V C -0.574 175.304 176.094 -0.361 0.000 1.053 149 V CA -0.257 61.928 62.300 -0.193 0.000 0.987 149 V CB 1.299 32.998 31.823 -0.207 0.000 1.006 149 V HN 0.745 nan 8.190 nan 0.000 0.472 150 Y N 3.735 123.589 120.300 -0.745 0.000 2.326 150 Y HA 0.726 5.255 4.550 -0.034 0.000 0.329 150 Y C -0.058 175.503 175.900 -0.564 0.000 0.973 150 Y CA -0.879 56.520 58.100 -1.169 0.000 1.162 150 Y CB 1.049 38.482 38.460 -1.712 0.000 1.147 150 Y HN 0.735 nan 8.280 nan 0.000 0.456 151 A N 6.927 129.218 122.820 -0.882 0.000 2.325 151 A HA 0.893 5.193 4.320 -0.034 0.000 0.333 151 A C -0.855 176.379 177.584 -0.584 0.000 1.155 151 A CA -0.966 50.745 52.037 -0.544 0.000 0.814 151 A CB 1.060 19.927 19.000 -0.220 0.000 1.206 151 A HN 0.787 nan 8.150 nan 0.000 0.482 152 R N 0.461 120.740 120.500 -0.369 0.000 2.532 152 R HA 0.692 5.011 4.340 -0.034 0.000 0.297 152 R C -0.901 175.260 176.300 -0.232 0.000 0.984 152 R CA -0.346 55.573 56.100 -0.302 0.000 0.884 152 R CB 2.250 32.391 30.300 -0.266 0.000 1.182 152 R HN 0.946 nan 8.270 nan 0.000 0.442 153 A N 2.372 124.977 122.820 -0.357 0.000 2.566 153 A HA 0.771 5.071 4.320 -0.034 0.000 0.292 153 A C -1.384 175.948 177.584 -0.420 0.000 1.112 153 A CA -0.733 51.064 52.037 -0.400 0.000 0.707 153 A CB 2.398 21.081 19.000 -0.529 0.000 1.302 153 A HN 0.605 nan 8.150 nan 0.000 0.409 154 K N 1.299 121.488 120.400 -0.353 0.000 2.582 154 K HA 0.508 4.808 4.320 -0.034 0.000 0.259 154 K C -2.285 174.121 176.600 -0.324 0.000 0.973 154 K CA -0.339 55.732 56.287 -0.360 0.000 0.880 154 K CB 1.049 33.381 32.500 -0.281 0.000 1.310 154 K HN 0.665 nan 8.250 nan 0.000 0.443 155 I N 3.163 123.496 120.570 -0.395 0.000 2.509 155 I HA 0.404 4.554 4.170 -0.034 0.000 0.293 155 I C -0.383 175.504 176.117 -0.384 0.000 1.020 155 I CA -0.697 60.400 61.300 -0.339 0.000 1.088 155 I CB 2.078 39.852 38.000 -0.377 0.000 1.267 155 I HN 0.570 nan 8.210 nan 0.000 0.430 156 E N 5.784 125.841 120.200 -0.240 0.000 2.393 156 E HA 0.667 4.997 4.350 -0.034 0.000 0.273 156 E C -1.186 175.335 176.600 -0.133 0.000 0.918 156 E CA -1.110 55.147 56.400 -0.239 0.000 0.773 156 E CB 3.081 32.697 29.700 -0.140 0.000 1.275 156 E HN 0.348 nan 8.360 nan 0.000 0.451 157 R N 0.859 121.197 120.500 -0.271 0.000 2.692 157 R HA 0.543 4.863 4.340 -0.034 0.000 0.269 157 R C -1.378 174.744 176.300 -0.296 0.000 1.030 157 R CA -0.656 55.423 56.100 -0.035 0.000 0.882 157 R CB 0.903 31.248 30.300 0.076 0.000 1.250 157 R HN 0.411 nan 8.270 nan 0.000 0.465 158 F N -0.525 119.451 119.950 0.043 0.000 2.675 158 F HA 0.678 5.184 4.527 -0.034 0.000 0.324 158 F C 0.158 175.982 175.800 0.040 0.000 1.106 158 F CA -1.262 56.758 58.000 0.034 0.000 0.970 158 F CB 1.184 40.208 39.000 0.038 0.000 1.385 158 F HN 0.571 nan 8.300 nan 0.000 0.489 159 A N 0.867 123.825 122.820 0.230 0.000 2.376 159 A HA 0.523 4.823 4.320 -0.034 0.000 0.298 159 A C 0.967 178.646 177.584 0.158 0.000 1.271 159 A CA 0.259 52.378 52.037 0.136 0.000 0.926 159 A CB -0.605 18.433 19.000 0.062 0.000 1.141 159 A HN 0.973 nan 8.150 nan 0.000 0.539 160 G N 2.079 110.981 108.800 0.170 0.000 2.942 160 G HA2 -0.126 3.814 3.960 -0.034 0.000 0.199 160 G HA3 -0.126 3.814 3.960 -0.034 0.000 0.199 160 G C 0.570 175.527 174.900 0.095 0.000 1.440 160 G CA 1.367 46.544 45.100 0.127 0.000 0.815 160 G HN 0.823 nan 8.290 nan 0.000 0.675 161 D N -1.019 119.457 120.400 0.127 0.000 2.562 161 D HA 0.131 4.750 4.640 -0.034 0.000 0.246 161 D C 1.994 178.352 176.300 0.097 0.000 1.347 161 D CA -0.301 53.752 54.000 0.088 0.000 0.800 161 D CB -0.540 40.300 40.800 0.066 0.000 1.111 161 D HN 0.345 nan 8.370 nan 0.000 0.508 162 L N 1.010 122.310 121.223 0.128 0.000 2.034 162 L HA -0.199 4.120 4.340 -0.034 0.000 0.217 162 L C 2.457 179.361 176.870 0.057 0.000 1.077 162 L CA 2.132 57.019 54.840 0.078 0.000 0.769 162 L CB -0.791 41.322 42.059 0.089 0.000 0.890 162 L HN 0.293 nan 8.230 nan 0.000 0.435 163 G N -0.695 108.147 108.800 0.070 0.000 2.777 163 G HA2 -0.383 3.557 3.960 -0.034 0.000 0.217 163 G HA3 -0.383 3.557 3.960 -0.034 0.000 0.217 163 G C 1.235 176.168 174.900 0.055 0.000 1.295 163 G CA 1.069 46.213 45.100 0.074 0.000 0.800 163 G HN 0.369 nan 8.290 nan 0.000 0.637 164 Q N 0.053 119.881 119.800 0.046 0.000 2.268 164 Q HA -0.005 4.315 4.340 -0.034 0.000 0.210 164 Q C 2.590 178.601 176.000 0.018 0.000 0.988 164 Q CA 0.891 56.713 55.803 0.030 0.000 0.883 164 Q CB -0.347 28.407 28.738 0.026 0.000 0.911 164 Q HN 0.541 nan 8.270 nan 0.000 0.430 165 L N -0.992 120.239 121.223 0.014 0.000 2.023 165 L HA -0.159 4.161 4.340 -0.034 0.000 0.205 165 L C 2.057 178.922 176.870 -0.009 0.000 1.073 165 L CA 0.849 55.682 54.840 -0.012 0.000 0.745 165 L CB -0.384 41.649 42.059 -0.043 0.000 0.900 165 L HN 0.145 nan 8.230 nan 0.000 0.435 166 V N 0.199 120.117 119.914 0.007 0.000 2.237 166 V HA -0.301 3.799 4.120 -0.034 0.000 0.245 166 V C 2.654 178.755 176.094 0.012 0.000 1.046 166 V CA 1.862 64.171 62.300 0.014 0.000 1.007 166 V CB -1.003 30.847 31.823 0.046 0.000 0.638 166 V HN 0.508 nan 8.190 nan 0.000 0.445 167 A N 0.047 122.880 122.820 0.022 0.000 2.186 167 A HA -0.060 4.240 4.320 -0.034 0.000 0.219 167 A C 2.185 179.772 177.584 0.005 0.000 1.159 167 A CA 1.855 53.901 52.037 0.016 0.000 0.680 167 A CB -0.847 18.168 19.000 0.025 0.000 0.787 167 A HN 0.586 nan 8.150 nan 0.000 0.467 168 G N -1.574 107.226 108.800 0.001 0.000 2.524 168 G HA2 -0.010 3.930 3.960 -0.034 0.000 0.210 168 G HA3 -0.010 3.930 3.960 -0.034 0.000 0.210 168 G C 1.405 176.300 174.900 -0.009 0.000 1.187 168 G CA 0.788 45.885 45.100 -0.004 0.000 0.825 168 G HN 0.443 nan 8.290 nan 0.000 0.558 169 Q N 0.455 120.247 119.800 -0.013 0.000 2.224 169 Q HA -0.131 4.189 4.340 -0.034 0.000 0.213 169 Q C 1.418 177.410 176.000 -0.014 0.000 0.998 169 Q CA 1.129 56.922 55.803 -0.016 0.000 0.895 169 Q CB -0.524 28.203 28.738 -0.018 0.000 0.926 169 Q HN 0.525 nan 8.270 nan 0.000 0.417 170 I N 1.233 121.796 120.570 -0.012 0.000 2.330 170 I HA 0.019 4.169 4.170 -0.034 0.000 0.280 170 I C -0.300 175.810 176.117 -0.013 0.000 1.069 170 I CA -0.251 61.041 61.300 -0.015 0.000 1.873 170 I CB -0.362 37.627 38.000 -0.018 0.000 1.476 170 I HN 0.196 nan 8.210 nan 0.000 0.813 182 Q N 0.184 119.965 119.800 -0.033 0.000 2.226 182 Q HA 0.250 4.570 4.340 -0.034 0.000 0.199 182 Q C 2.724 178.709 176.000 -0.024 0.000 0.945 182 Q CA 0.939 56.727 55.803 -0.025 0.000 0.861 182 Q CB 0.173 28.900 28.738 -0.018 0.000 0.953 182 Q HN 0.366 nan 8.270 nan 0.000 0.490 183 A N 1.003 123.807 122.820 -0.026 0.000 2.121 183 A HA -0.107 4.193 4.320 -0.034 0.000 0.218 183 A C 1.934 179.498 177.584 -0.034 0.000 1.154 183 A CA 0.638 52.661 52.037 -0.023 0.000 0.679 183 A CB -0.312 18.675 19.000 -0.022 0.000 0.795 183 A HN 0.260 nan 8.150 nan 0.000 0.458 184 L N -1.073 120.120 121.223 -0.050 0.000 2.362 184 L HA 0.039 4.359 4.340 -0.034 0.000 0.219 184 L C 2.374 179.213 176.870 -0.053 0.000 1.134 184 L CA 1.455 56.250 54.840 -0.075 0.000 0.807 184 L CB -0.595 41.404 42.059 -0.100 0.000 0.927 184 L HN 0.366 nan 8.230 nan 0.000 0.447 185 A N -1.002 121.799 122.820 -0.031 0.000 1.896 185 A HA 0.201 4.501 4.320 -0.034 0.000 0.213 185 A C 2.343 179.928 177.584 0.003 0.000 1.306 185 A CA 0.816 52.846 52.037 -0.012 0.000 0.626 185 A CB -1.204 17.789 19.000 -0.011 0.000 0.994 185 A HN 0.346 nan 8.150 nan 0.000 0.475 186 A N -0.688 122.132 122.820 0.000 0.000 2.159 186 A HA -0.172 4.127 4.320 -0.034 0.000 0.222 186 A C 2.103 179.697 177.584 0.018 0.000 1.163 186 A CA 2.532 54.574 52.037 0.008 0.000 0.664 186 A CB -1.163 17.838 19.000 0.003 0.000 0.803 186 A HN 0.473 nan 8.150 nan 0.000 0.470 187 T N -0.650 113.913 114.554 0.016 0.000 2.894 187 T HA 0.213 4.543 4.350 -0.034 0.000 0.258 187 T C 1.976 176.722 174.700 0.075 0.000 1.043 187 T CA 0.992 63.112 62.100 0.032 0.000 1.141 187 T CB -0.194 68.675 68.868 0.003 0.000 0.873 187 T HN 0.576 nan 8.240 nan 0.000 0.449 188 A N 1.035 123.904 122.820 0.082 0.000 2.252 188 A HA 0.146 4.446 4.320 -0.034 0.000 0.207 188 A C 1.709 179.351 177.584 0.097 0.000 1.194 188 A CA 0.606 52.728 52.037 0.141 0.000 0.809 188 A CB -0.716 18.375 19.000 0.152 0.000 0.814 188 A HN 0.569 nan 8.150 nan 0.000 0.482 189 N N -1.320 117.420 118.700 0.066 0.000 2.250 189 N HA 0.049 4.769 4.740 -0.034 0.000 0.190 189 N C 1.557 177.097 175.510 0.050 0.000 1.116 189 N CA 0.574 53.654 53.050 0.049 0.000 0.881 189 N CB 0.051 38.558 38.487 0.032 0.000 1.006 189 N HN 0.345 nan 8.380 nan 0.000 0.491 190 G N 0.470 109.306 108.800 0.060 0.000 2.683 190 G HA2 0.133 4.073 3.960 -0.034 0.000 0.213 190 G HA3 0.133 4.073 3.960 -0.034 0.000 0.213 190 G C 0.617 175.557 174.900 0.067 0.000 1.142 190 G CA -0.183 44.951 45.100 0.057 0.000 0.793 190 G HN 0.144 nan 8.290 nan 0.000 0.534 191 I N 1.558 122.179 120.570 0.085 0.000 2.692 191 I HA 0.089 4.239 4.170 -0.034 0.000 0.284 191 I C -0.251 175.904 176.117 0.064 0.000 1.159 191 I CA -0.107 61.241 61.300 0.081 0.000 1.423 191 I CB 0.688 38.741 38.000 0.087 0.000 1.380 191 I HN -0.021 nan 8.210 nan 0.000 0.580 192 D N 3.291 123.727 120.400 0.061 0.000 2.326 192 D HA 0.207 4.827 4.640 -0.034 0.000 0.251 192 D C 0.923 177.261 176.300 0.064 0.000 1.023 192 D CA -0.370 53.663 54.000 0.054 0.000 0.966 192 D CB 1.836 42.666 40.800 0.049 0.000 1.156 192 D HN 0.420 nan 8.370 nan 0.000 0.494 193 S N 0.681 116.410 115.700 0.048 0.000 2.365 193 S HA -0.189 4.261 4.470 -0.034 0.000 0.225 193 S C 1.113 175.749 174.600 0.061 0.000 1.039 193 S CA 1.114 59.339 58.200 0.042 0.000 1.033 193 S CB -0.266 62.937 63.200 0.004 0.000 0.887 193 S HN 0.555 nan 8.310 nan 0.000 0.447 194 N N 1.717 120.445 118.700 0.047 0.000 3.250 194 N HA 0.035 4.754 4.740 -0.034 0.000 0.307 194 N C -1.222 174.490 175.510 0.337 0.000 1.355 194 N CA 0.093 53.200 53.050 0.095 0.000 1.192 194 N CB -0.251 38.221 38.487 -0.025 0.000 1.478 194 N HN -0.013 nan 8.380 nan 0.000 0.543 195 T N 1.547 116.302 114.554 0.336 0.000 2.811 195 T HA 0.127 4.457 4.350 -0.034 0.000 0.309 195 T C 0.353 175.121 174.700 0.113 0.000 1.005 195 T CA -0.638 61.578 62.100 0.194 0.000 0.955 195 T CB 0.636 69.552 68.868 0.081 0.000 0.970 195 T HN 0.118 nan 8.240 nan 0.000 0.496 196 K N 2.838 123.224 120.400 -0.023 0.000 2.075 196 K HA -0.084 4.216 4.320 -0.034 0.000 0.246 196 K C 1.333 177.773 176.600 -0.266 0.000 1.293 196 K CA 0.213 56.288 56.287 -0.353 0.000 1.342 196 K CB -0.083 32.262 32.500 -0.258 0.000 0.820 196 K HN 0.533 nan 8.250 nan 0.000 0.436 197 T N 0.412 114.805 114.554 -0.268 0.000 3.055 197 T HA 0.083 4.413 4.350 -0.034 0.000 0.265 197 T C 0.146 174.783 174.700 -0.105 0.000 1.111 197 T CA 0.819 62.842 62.100 -0.129 0.000 1.118 197 T CB 0.120 68.972 68.868 -0.027 0.000 0.909 197 T HN 0.669 nan 8.240 nan 0.000 0.501 198 A N 0.146 122.843 122.820 -0.205 0.000 2.572 198 A HA 0.540 4.839 4.320 -0.034 0.000 0.303 198 A C -1.450 175.980 177.584 -0.256 0.000 1.059 198 A CA -0.758 51.182 52.037 -0.161 0.000 0.788 198 A CB 0.569 19.606 19.000 0.061 0.000 1.282 198 A HN 0.518 nan 8.150 nan 0.000 0.397 199 H N 1.171 119.999 119.070 -0.402 0.000 2.782 199 H HA 0.791 5.327 4.556 -0.034 0.000 0.347 199 H C -1.707 173.464 175.328 -0.262 0.000 1.038 199 H CA -0.515 55.328 56.048 -0.341 0.000 1.255 199 H CB 1.020 30.589 29.762 -0.321 0.000 1.623 199 H HN 0.630 nan 8.280 nan 0.000 0.525 200 L N 4.738 125.630 121.223 -0.552 0.000 2.393 200 L HA 0.553 4.873 4.340 -0.034 0.000 0.260 200 L C -0.823 175.734 176.870 -0.522 0.000 1.002 200 L CA -0.698 53.944 54.840 -0.330 0.000 0.818 200 L CB 2.120 43.994 42.059 -0.309 0.000 1.369 200 L HN 0.959 nan 8.230 nan 0.000 0.412 201 N N 0.182 118.680 118.700 -0.336 0.000 3.348 201 N HA 0.724 5.444 4.740 -0.034 0.000 0.233 201 N C -1.164 174.153 175.510 -0.321 0.000 1.440 201 N CA -0.296 52.543 53.050 -0.352 0.000 0.887 201 N CB 2.206 40.558 38.487 -0.226 0.000 1.410 201 N HN 0.814 nan 8.380 nan 0.000 0.502 202 G N 0.281 108.860 108.800 -0.368 0.000 2.386 202 G HA2 0.225 4.164 3.960 -0.034 0.000 0.302 202 G HA3 0.225 4.164 3.960 -0.034 0.000 0.302 202 G C -2.397 172.417 174.900 -0.144 0.000 1.629 202 G CA -0.878 44.077 45.100 -0.242 0.000 0.917 202 G HN 0.754 nan 8.290 nan 0.000 0.676 203 N N 0.707 119.470 118.700 0.104 0.000 2.354 203 N HA 0.670 5.390 4.740 -0.034 0.000 0.287 203 N C -0.760 174.881 175.510 0.218 0.000 1.016 203 N CA -0.601 52.516 53.050 0.112 0.000 0.871 203 N CB 2.603 41.182 38.487 0.153 0.000 1.299 203 N HN 0.723 nan 8.380 nan 0.000 0.482 204 Q N 0.885 120.727 119.800 0.071 0.000 2.482 204 Q HA 0.471 4.790 4.340 -0.034 0.000 0.286 204 Q C -2.156 173.778 176.000 -0.111 0.000 1.007 204 Q CA -0.539 55.275 55.803 0.017 0.000 0.801 204 Q CB 1.548 30.150 28.738 -0.226 0.000 1.455 204 Q HN 0.563 nan 8.270 nan 0.000 0.398 205 W N 0.683 121.957 121.300 -0.042 0.000 2.436 205 W HA 0.831 5.471 4.660 -0.032 0.000 0.347 205 W C 0.456 176.798 176.519 -0.294 0.000 1.136 205 W CA -0.051 57.211 57.345 -0.138 0.000 1.286 205 W CB 2.140 31.541 29.460 -0.098 0.000 1.253 205 W HN 0.723 nan 8.180 nan 0.000 0.617 206 G N 0.884 109.548 108.800 -0.227 0.000 2.619 206 G HA2 0.769 4.709 3.960 -0.034 0.000 0.296 206 G HA3 0.769 4.709 3.960 -0.034 0.000 0.296 206 G C -2.253 172.346 174.900 -0.502 0.000 1.334 206 G CA -0.698 44.259 45.100 -0.238 0.000 0.934 206 G HN 0.237 nan 8.290 nan 0.000 0.476 207 F N -0.466 119.541 119.950 0.094 0.000 2.577 207 F HA 0.851 5.359 4.527 -0.031 0.000 0.318 207 F C 0.667 176.531 175.800 0.106 0.000 1.065 207 F CA -0.231 57.833 58.000 0.107 0.000 0.929 207 F CB 2.991 42.132 39.000 0.235 0.000 1.237 207 F HN 0.837 nan 8.300 nan 0.000 0.468 208 G N 0.542 109.507 108.800 0.275 0.000 2.623 208 G HA2 0.525 4.465 3.960 -0.034 0.000 0.290 208 G HA3 0.525 4.465 3.960 -0.034 0.000 0.290 208 G C -2.328 172.790 174.900 0.364 0.000 1.437 208 G CA -0.858 44.400 45.100 0.262 0.000 0.798 208 G HN 0.718 nan 8.290 nan 0.000 0.488 209 W N 0.141 121.501 121.300 0.099 0.000 2.967 209 W HA 0.807 5.450 4.660 -0.028 0.000 0.342 209 W C -1.038 175.499 176.519 0.029 0.000 1.162 209 W CA -1.395 56.026 57.345 0.126 0.000 1.085 209 W CB 1.134 30.702 29.460 0.180 0.000 1.460 209 W HN 0.913 nan 8.180 nan 0.000 0.584 210 N N 0.517 119.283 118.700 0.110 0.000 2.504 210 N HA 0.667 5.386 4.740 -0.034 0.000 0.268 210 N C -1.984 173.602 175.510 0.126 0.000 1.184 210 N CA -0.713 52.254 53.050 -0.138 0.000 0.875 210 N CB 1.812 40.200 38.487 -0.166 0.000 1.630 210 N HN 0.796 nan 8.380 nan 0.000 0.486 211 A N 0.064 122.927 122.820 0.071 0.000 2.539 211 A HA 0.978 5.278 4.320 -0.034 0.000 0.296 211 A C -0.682 176.976 177.584 0.123 0.000 1.073 211 A CA -0.344 51.809 52.037 0.194 0.000 0.700 211 A CB 1.541 20.746 19.000 0.341 0.000 1.296 211 A HN 1.160 nan 8.150 nan 0.000 0.405 212 G N 0.110 108.993 108.800 0.139 0.000 2.719 212 G HA2 0.595 4.535 3.960 -0.034 0.000 0.298 212 G HA3 0.595 4.535 3.960 -0.034 0.000 0.298 212 G C -1.294 173.653 174.900 0.077 0.000 1.411 212 G CA -0.449 44.711 45.100 0.100 0.000 0.991 212 G HN 0.678 nan 8.290 nan 0.000 0.509 213 I N 0.902 121.502 120.570 0.050 0.000 2.493 213 I HA 0.509 4.659 4.170 -0.034 0.000 0.298 213 I C -0.780 175.349 176.117 0.021 0.000 0.998 213 I CA -0.938 60.324 61.300 -0.063 0.000 1.137 213 I CB 2.301 40.281 38.000 -0.033 0.000 1.310 213 I HN 0.343 nan 8.210 nan 0.000 0.445 214 L N 7.344 128.568 121.223 0.002 0.000 2.454 214 L HA 0.376 4.696 4.340 -0.034 0.000 0.258 214 L C -1.375 175.599 176.870 0.173 0.000 1.025 214 L CA -0.360 54.532 54.840 0.086 0.000 0.901 214 L CB 0.735 42.819 42.059 0.041 0.000 1.210 214 L HN 0.557 nan 8.230 nan 0.000 0.457 215 Y N 4.829 125.149 120.300 0.033 0.000 2.452 215 Y HA 0.372 4.902 4.550 -0.034 0.000 0.348 215 Y C -0.116 175.736 175.900 -0.081 0.000 0.985 215 Y CA -0.518 57.480 58.100 -0.170 0.000 1.214 215 Y CB 0.754 38.965 38.460 -0.415 0.000 1.136 215 Y HN 0.677 nan 8.280 nan 0.000 0.523 216 E N 6.463 126.507 120.200 -0.259 0.000 2.145 216 E HA 0.158 4.488 4.350 -0.034 0.000 0.262 216 E C -0.259 176.071 176.600 -0.448 0.000 0.883 216 E CA -0.616 55.580 56.400 -0.341 0.000 0.748 216 E CB 1.926 31.544 29.700 -0.137 0.000 1.140 216 E HN 0.908 nan 8.360 nan 0.000 0.417 217 L N 2.737 123.620 121.223 -0.567 0.000 2.012 217 L HA -0.158 4.161 4.340 -0.034 0.000 0.210 217 L C -0.141 176.648 176.870 -0.136 0.000 1.073 217 L CA 2.209 56.836 54.840 -0.356 0.000 0.748 217 L CB 0.028 41.952 42.059 -0.225 0.000 0.891 217 L HN 0.853 nan 8.230 nan 0.000 0.431 218 D N -4.931 115.406 120.400 -0.106 0.000 2.665 218 D HA 0.146 4.765 4.640 -0.034 0.000 0.287 218 D C 0.109 176.375 176.300 -0.056 0.000 1.266 218 D CA -0.733 53.232 54.000 -0.058 0.000 0.830 218 D CB 0.800 41.578 40.800 -0.037 0.000 1.356 218 D HN -0.400 nan 8.370 nan 0.000 0.437 219 K N -0.504 119.868 120.400 -0.046 0.000 2.362 219 K HA 0.014 4.313 4.320 -0.034 0.000 0.202 219 K C 0.674 177.251 176.600 -0.038 0.000 1.045 219 K CA 1.130 57.386 56.287 -0.051 0.000 0.936 219 K CB -0.301 32.169 32.500 -0.051 0.000 0.747 219 K HN 0.368 nan 8.250 nan 0.000 0.467 220 N N -0.397 118.291 118.700 -0.020 0.000 2.227 220 N HA 0.034 4.754 4.740 -0.034 0.000 0.196 220 N C -0.519 175.018 175.510 0.044 0.000 1.142 220 N CA 0.064 53.126 53.050 0.019 0.000 0.887 220 N CB 0.522 38.999 38.487 -0.016 0.000 1.022 220 N HN 0.088 nan 8.380 nan 0.000 0.500 221 N N 1.387 120.084 118.700 -0.005 0.000 2.238 221 N HA 0.427 5.147 4.740 -0.034 0.000 0.302 221 N C -0.535 174.916 175.510 -0.100 0.000 1.072 221 N CA -0.321 52.702 53.050 -0.045 0.000 0.792 221 N CB 2.794 41.265 38.487 -0.027 0.000 1.425 221 N HN 0.157 nan 8.380 nan 0.000 0.478 222 R N -0.230 120.134 120.500 -0.227 0.000 2.739 222 R HA 0.413 4.732 4.340 -0.034 0.000 0.266 222 R C -1.943 174.111 176.300 -0.410 0.000 1.044 222 R CA -0.752 55.220 56.100 -0.214 0.000 0.885 222 R CB 0.577 30.795 30.300 -0.137 0.000 1.260 222 R HN 0.371 nan 8.270 nan 0.000 0.477 223 Y N 0.005 120.241 120.300 -0.107 0.000 2.662 223 Y HA 0.925 5.455 4.550 -0.034 0.000 0.335 223 Y C -0.252 175.665 175.900 0.029 0.000 1.066 223 Y CA -0.589 57.507 58.100 -0.007 0.000 1.116 223 Y CB 2.656 41.135 38.460 0.032 0.000 1.308 223 Y HN 1.030 nan 8.280 nan 0.000 0.502 224 A N 1.039 123.990 122.820 0.219 0.000 2.594 224 A HA 0.664 4.964 4.320 -0.034 0.000 0.296 224 A C -2.542 175.146 177.584 0.173 0.000 1.061 224 A CA -0.532 51.603 52.037 0.165 0.000 0.689 224 A CB 1.479 20.535 19.000 0.092 0.000 1.280 224 A HN 0.677 nan 8.150 nan 0.000 0.406 225 L N 1.646 122.972 121.223 0.172 0.000 2.346 225 L HA 0.941 5.261 4.340 -0.034 0.000 0.276 225 L C 0.004 176.984 176.870 0.183 0.000 1.006 225 L CA 0.541 55.502 54.840 0.201 0.000 0.817 225 L CB 2.132 44.320 42.059 0.215 0.000 1.272 225 L HN 1.234 nan 8.230 nan 0.000 0.421 226 T N 1.255 115.928 114.554 0.199 0.000 2.868 226 T HA 0.586 4.916 4.350 -0.034 0.000 0.306 226 T C -1.462 173.264 174.700 0.044 0.000 1.224 226 T CA -0.632 61.533 62.100 0.108 0.000 1.012 226 T CB 1.333 70.220 68.868 0.031 0.000 1.221 226 T HN 0.601 nan 8.240 nan 0.000 0.499 227 Y N 0.506 120.639 120.300 -0.278 0.000 2.470 227 Y HA 0.743 5.273 4.550 -0.034 0.000 0.341 227 Y C -0.896 174.678 175.900 -0.542 0.000 1.021 227 Y CA -1.093 56.650 58.100 -0.595 0.000 1.025 227 Y CB 2.036 39.984 38.460 -0.853 0.000 1.266 227 Y HN 0.983 nan 8.280 nan 0.000 0.448 228 R N 3.479 123.243 120.500 -1.227 0.000 2.393 228 R HA 0.543 4.862 4.340 -0.034 0.000 0.315 228 R C -0.610 174.753 176.300 -1.561 0.000 0.952 228 R CA -0.334 55.164 56.100 -1.003 0.000 0.842 228 R CB 1.057 31.012 30.300 -0.574 0.000 1.163 228 R HN 0.804 nan 8.270 nan 0.000 0.450 229 S N 1.952 116.851 115.700 -1.335 0.000 2.598 229 S HA 0.053 4.503 4.470 -0.034 0.000 0.256 229 S C 0.303 174.578 174.600 -0.542 0.000 1.350 229 S CA -0.603 56.992 58.200 -1.008 0.000 0.984 229 S CB 0.562 63.306 63.200 -0.761 0.000 0.930 229 S HN 0.752 nan 8.310 nan 0.000 0.577 230 E N -0.967 119.081 120.200 -0.253 0.000 2.369 230 E HA 0.480 4.810 4.350 -0.034 0.000 0.255 230 E C -1.394 175.122 176.600 -0.139 0.000 1.172 230 E CA -0.765 55.527 56.400 -0.179 0.000 0.932 230 E CB 0.723 30.390 29.700 -0.055 0.000 1.040 230 E HN 0.476 nan 8.360 nan 0.000 0.454 231 V N 2.860 122.679 119.914 -0.157 0.000 2.559 231 V HA 0.231 4.331 4.120 -0.034 0.000 0.289 231 V C -0.772 175.247 176.094 -0.126 0.000 1.036 231 V CA -0.828 61.398 62.300 -0.123 0.000 0.887 231 V CB 1.517 33.230 31.823 -0.183 0.000 1.022 231 V HN 0.611 nan 8.190 nan 0.000 0.442 232 K N 4.631 124.998 120.400 -0.056 0.000 2.118 232 K HA 0.734 5.033 4.320 -0.034 0.000 0.267 232 K C -0.925 175.608 176.600 -0.111 0.000 0.991 232 K CA -0.596 55.655 56.287 -0.060 0.000 0.916 232 K CB 2.204 34.703 32.500 -0.002 0.000 1.041 232 K HN 0.522 nan 8.250 nan 0.000 0.455 233 I N 2.516 122.973 120.570 -0.189 0.000 2.448 233 I HA 0.106 4.256 4.170 -0.034 0.000 0.281 233 I C -0.787 175.094 176.117 -0.394 0.000 1.027 233 I CA -0.655 60.416 61.300 -0.381 0.000 1.111 233 I CB 1.660 39.269 38.000 -0.653 0.000 1.236 233 I HN 0.399 nan 8.210 nan 0.000 0.452 234 D N 7.533 127.784 120.400 -0.249 0.000 2.494 234 D HA 0.236 4.856 4.640 -0.034 0.000 0.217 234 D C -0.211 176.002 176.300 -0.146 0.000 1.153 234 D CA 0.061 53.993 54.000 -0.114 0.000 0.954 234 D CB 0.499 41.305 40.800 0.010 0.000 1.034 234 D HN 0.196 nan 8.370 nan 0.000 0.518 235 F N 1.558 121.491 119.950 -0.028 0.000 2.471 235 F HA 0.081 4.588 4.527 -0.033 0.000 0.353 235 F C 1.267 176.961 175.800 -0.177 0.000 1.113 235 F CA -0.268 57.682 58.000 -0.083 0.000 1.262 235 F CB 0.863 39.813 39.000 -0.084 0.000 1.146 235 F HN -0.006 nan 8.300 nan 0.000 0.578 236 K N 2.596 122.990 120.400 -0.009 0.000 2.621 236 K HA 0.629 4.929 4.320 -0.034 0.000 0.233 236 K C -0.825 175.693 176.600 -0.136 0.000 0.972 236 K CA -0.293 55.787 56.287 -0.346 0.000 0.988 236 K CB 1.075 33.333 32.500 -0.404 0.000 1.187 236 K HN 0.718 nan 8.250 nan 0.000 0.471 237 G N 1.880 110.619 108.800 -0.102 0.000 2.727 237 G HA2 0.276 4.216 3.960 -0.034 0.000 0.289 237 G HA3 0.276 4.216 3.960 -0.034 0.000 0.289 237 G C -1.306 173.607 174.900 0.021 0.000 1.418 237 G CA -1.284 43.796 45.100 -0.033 0.000 0.818 237 G HN 0.596 nan 8.290 nan 0.000 0.486 238 N N -0.454 118.272 118.700 0.043 0.000 2.492 238 N HA 0.398 5.118 4.740 -0.034 0.000 0.262 238 N C -1.190 174.417 175.510 0.162 0.000 1.202 238 N CA 0.306 53.409 53.050 0.088 0.000 0.926 238 N CB 0.849 39.375 38.487 0.065 0.000 1.078 238 N HN 0.526 nan 8.380 nan 0.000 0.454 239 Y N 0.953 121.283 120.300 0.050 0.000 2.534 239 Y HA 0.611 5.141 4.550 -0.034 0.000 0.345 239 Y C -1.121 174.801 175.900 0.038 0.000 1.031 239 Y CA -0.669 57.459 58.100 0.047 0.000 1.022 239 Y CB 1.447 39.926 38.460 0.031 0.000 1.292 239 Y HN 0.701 nan 8.280 nan 0.000 0.459 240 S N 2.354 117.372 115.700 -1.137 0.000 2.595 240 S HA 0.664 5.114 4.470 -0.034 0.000 0.270 240 S C -1.473 172.675 174.600 -0.754 0.000 1.145 240 S CA -0.595 57.139 58.200 -0.777 0.000 0.825 240 S CB 1.171 64.156 63.200 -0.358 0.000 1.107 240 S HN 1.207 nan 8.310 nan 0.000 0.461 241 S N 0.117 115.580 115.700 -0.396 0.000 2.720 241 S HA 0.406 4.856 4.470 -0.034 0.000 0.278 241 S C -0.609 173.912 174.600 -0.132 0.000 1.172 241 S CA -0.586 57.477 58.200 -0.227 0.000 1.019 241 S CB 1.217 64.357 63.200 -0.099 0.000 1.049 241 S HN 0.621 nan 8.310 nan 0.000 0.483 242 D N 3.189 123.512 120.400 -0.128 0.000 2.371 242 D HA 0.065 4.685 4.640 -0.034 0.000 0.221 242 D C 0.826 177.097 176.300 -0.047 0.000 0.986 242 D CA 0.443 54.398 54.000 -0.076 0.000 0.899 242 D CB 0.093 40.854 40.800 -0.065 0.000 0.902 242 D HN 0.521 nan 8.370 nan 0.000 0.530 243 L N 1.113 122.282 121.223 -0.089 0.000 2.467 243 L HA 0.005 4.325 4.340 -0.034 0.000 0.270 243 L C 1.049 177.963 176.870 0.074 0.000 1.205 243 L CA -0.178 54.581 54.840 -0.135 0.000 0.828 243 L CB 0.435 42.268 42.059 -0.377 0.000 1.101 243 L HN -0.064 nan 8.230 nan 0.000 0.479 244 N N 2.005 120.890 118.700 0.308 0.000 2.497 244 N HA 0.015 4.735 4.740 -0.034 0.000 0.268 244 N C 0.943 176.661 175.510 0.348 0.000 1.171 244 N CA 0.057 53.307 53.050 0.333 0.000 0.948 244 N CB 0.906 39.594 38.487 0.335 0.000 1.069 244 N HN 0.491 nan 8.380 nan 0.000 0.460 245 R N 2.730 123.348 120.500 0.197 0.000 2.204 245 R HA -0.226 4.094 4.340 -0.034 0.000 0.253 245 R C 1.743 178.152 176.300 0.181 0.000 1.172 245 R CA 1.752 57.951 56.100 0.165 0.000 0.994 245 R CB -0.402 29.961 30.300 0.104 0.000 0.874 245 R HN 0.668 nan 8.270 nan 0.000 0.462 246 A N 0.920 123.839 122.820 0.166 0.000 1.940 246 A HA -0.175 4.125 4.320 -0.034 0.000 0.219 246 A C 1.789 179.487 177.584 0.190 0.000 1.176 246 A CA 1.243 53.353 52.037 0.122 0.000 0.631 246 A CB -0.724 18.288 19.000 0.019 0.000 0.814 246 A HN 0.267 nan 8.150 nan 0.000 0.446 247 F N 0.919 120.964 119.950 0.158 0.000 2.411 247 F HA -0.139 4.368 4.527 -0.034 0.000 0.299 247 F C 1.390 177.327 175.800 0.227 0.000 1.077 247 F CA 0.740 58.849 58.000 0.181 0.000 1.439 247 F CB -0.699 38.370 39.000 0.116 0.000 1.085 247 F HN 0.314 nan 8.300 nan 0.000 0.564 248 N N 0.433 119.315 118.700 0.304 0.000 2.294 248 N HA -0.039 4.681 4.740 -0.034 0.000 0.248 248 N C 0.131 175.621 175.510 -0.034 0.000 1.300 248 N CA -0.244 52.897 53.050 0.151 0.000 0.925 248 N CB 0.086 38.622 38.487 0.082 0.000 1.188 248 N HN 0.054 nan 8.380 nan 0.000 0.512 249 N N 0.031 118.684 118.700 -0.078 0.000 2.685 249 N HA -0.241 4.479 4.740 -0.034 0.000 0.251 249 N C -0.929 174.388 175.510 -0.323 0.000 1.020 249 N CA 1.074 54.011 53.050 -0.188 0.000 0.762 249 N CB -0.993 37.352 38.487 -0.236 0.000 0.958 249 N HN 0.505 nan 8.380 nan 0.000 0.539 250 Y N -0.736 119.588 120.300 0.040 0.000 2.716 250 Y HA 0.362 4.892 4.550 -0.034 0.000 0.260 250 Y C 1.663 177.582 175.900 0.032 0.000 1.141 250 Y CA -0.061 58.057 58.100 0.030 0.000 1.168 250 Y CB 0.442 38.919 38.460 0.028 0.000 1.189 250 Y HN 0.261 nan 8.280 nan 0.000 0.549 251 G N 0.227 109.100 108.800 0.123 0.000 2.175 251 G HA2 -0.326 3.613 3.960 -0.034 0.000 0.265 251 G HA3 -0.326 3.613 3.960 -0.034 0.000 0.265 251 G C -0.023 174.930 174.900 0.089 0.000 0.979 251 G CA 0.074 45.226 45.100 0.086 0.000 0.663 251 G HN 0.170 nan 8.290 nan 0.000 0.533 252 L N 0.244 121.542 121.223 0.124 0.000 2.461 252 L HA 0.378 4.698 4.340 -0.034 0.000 0.272 252 L C -0.346 176.570 176.870 0.075 0.000 1.197 252 L CA -1.132 53.774 54.840 0.110 0.000 0.836 252 L CB 0.502 42.656 42.059 0.158 0.000 1.105 252 L HN -0.106 nan 8.230 nan 0.000 0.477 253 P HA 0.042 nan 4.420 nan 0.000 0.233 253 P C 0.422 177.740 177.300 0.030 0.000 1.167 253 P CA -0.015 63.102 63.100 0.028 0.000 0.770 253 P CB 0.173 31.884 31.700 0.019 0.000 0.837 254 I N 0.893 121.498 120.570 0.059 0.000 3.110 254 I HA -0.068 4.082 4.170 -0.034 0.000 0.305 254 I C -2.110 174.052 176.117 0.073 0.000 1.232 254 I CA -1.436 59.904 61.300 0.067 0.000 1.431 254 I CB -0.163 37.886 38.000 0.082 0.000 1.320 254 I HN -0.081 nan 8.210 nan 0.000 0.583 255 P HA 0.238 nan 4.420 nan 0.000 0.281 255 P C -1.168 176.246 177.300 0.191 0.000 1.249 255 P CA -0.487 62.714 63.100 0.168 0.000 0.810 255 P CB 0.470 32.364 31.700 0.325 0.000 1.008 256 T N 1.561 116.238 114.554 0.205 0.000 2.819 256 T HA 0.212 4.542 4.350 -0.034 0.000 0.282 256 T C 0.472 175.322 174.700 0.250 0.000 1.013 256 T CA 0.204 62.429 62.100 0.208 0.000 1.159 256 T CB -0.176 68.803 68.868 0.186 0.000 1.007 256 T HN 0.449 nan 8.240 nan 0.000 0.514 257 A N 2.966 125.890 122.820 0.172 0.000 2.293 257 A HA 0.659 4.959 4.320 -0.034 0.000 0.302 257 A C 1.263 178.916 177.584 0.115 0.000 1.119 257 A CA -0.275 51.835 52.037 0.122 0.000 0.823 257 A CB 0.663 19.741 19.000 0.131 0.000 1.097 257 A HN 0.965 nan 8.150 nan 0.000 0.491 258 T N -2.904 111.684 114.554 0.057 0.000 3.041 258 T HA 0.421 4.751 4.350 -0.034 0.000 0.276 258 T C 1.219 175.935 174.700 0.028 0.000 0.948 258 T CA 1.099 63.227 62.100 0.046 0.000 0.885 258 T CB -0.096 68.779 68.868 0.012 0.000 1.175 258 T HN 2.457 nan 8.240 nan 0.000 0.529 259 G N 0.928 109.743 108.800 0.025 0.000 2.166 259 G HA2 0.123 4.062 3.960 -0.034 0.000 0.260 259 G HA3 0.123 4.062 3.960 -0.034 0.000 0.260 259 G C 1.187 176.085 174.900 -0.003 0.000 0.986 259 G CA 0.794 45.911 45.100 0.028 0.000 0.683 259 G HN 1.880 nan 8.290 nan 0.000 0.527 260 G N -1.846 106.932 108.800 -0.037 0.000 2.284 260 G HA2 0.304 4.244 3.960 -0.034 0.000 0.201 260 G HA3 0.304 4.244 3.960 -0.034 0.000 0.201 260 G C 0.745 175.607 174.900 -0.063 0.000 0.998 260 G CA 1.017 46.082 45.100 -0.059 0.000 0.651 260 G HN 2.188 nan 8.290 nan 0.000 0.489 261 A N 1.187 123.986 122.820 -0.036 0.000 2.491 261 A HA 0.576 4.876 4.320 -0.034 0.000 0.261 261 A C 0.642 178.206 177.584 -0.034 0.000 1.101 261 A CA 1.265 53.290 52.037 -0.020 0.000 0.772 261 A CB 0.108 19.115 19.000 0.012 0.000 1.043 261 A HN 0.680 nan 8.150 nan 0.000 0.501 262 T N 3.638 118.173 114.554 -0.031 0.000 2.723 262 T HA 0.340 4.670 4.350 -0.034 0.000 0.297 262 T C 0.123 174.848 174.700 0.041 0.000 0.925 262 T CA 0.070 62.155 62.100 -0.024 0.000 1.030 262 T CB 0.278 69.123 68.868 -0.039 0.000 0.905 262 T HN 0.760 nan 8.240 nan 0.000 0.502 263 Q N 2.994 122.853 119.800 0.098 0.000 2.274 263 Q HA 0.419 4.738 4.340 -0.034 0.000 0.260 263 Q C -0.646 175.464 176.000 0.184 0.000 0.974 263 Q CA -0.749 55.144 55.803 0.149 0.000 0.876 263 Q CB 1.075 29.931 28.738 0.195 0.000 1.297 263 Q HN 0.498 nan 8.270 nan 0.000 0.446 264 S N 1.578 117.377 115.700 0.166 0.000 2.546 264 S HA 0.339 4.789 4.470 -0.034 0.000 0.290 264 S C -0.021 174.728 174.600 0.249 0.000 1.290 264 S CA 0.177 58.486 58.200 0.183 0.000 1.069 264 S CB 0.555 63.886 63.200 0.218 0.000 0.846 264 S HN 0.667 nan 8.310 nan 0.000 0.495 265 G N 1.779 110.695 108.800 0.193 0.000 2.513 265 G HA2 0.599 4.539 3.960 -0.034 0.000 0.317 265 G HA3 0.599 4.539 3.960 -0.034 0.000 0.317 265 G C -1.769 173.216 174.900 0.143 0.000 1.277 265 G CA -0.530 44.696 45.100 0.211 0.000 0.955 265 G HN 0.552 nan 8.290 nan 0.000 0.484 266 Y N 0.967 121.294 120.300 0.044 0.000 2.328 266 Y HA 0.658 5.187 4.550 -0.034 0.000 0.337 266 Y C 0.101 176.046 175.900 0.074 0.000 0.966 266 Y CA -0.917 57.225 58.100 0.071 0.000 1.136 266 Y CB 2.085 40.579 38.460 0.055 0.000 1.170 266 Y HN 0.524 nan 8.280 nan 0.000 0.470 267 L N 2.081 123.433 121.223 0.215 0.000 2.376 267 L HA 0.841 5.161 4.340 -0.034 0.000 0.258 267 L C -1.041 175.958 176.870 0.216 0.000 1.013 267 L CA -0.404 54.559 54.840 0.205 0.000 0.822 267 L CB 2.568 44.737 42.059 0.183 0.000 1.388 267 L HN 0.568 nan 8.230 nan 0.000 0.413 268 T N 3.679 118.336 114.554 0.173 0.000 2.841 268 T HA 0.482 4.812 4.350 -0.034 0.000 0.285 268 T C -1.090 173.691 174.700 0.135 0.000 0.991 268 T CA -0.271 61.898 62.100 0.115 0.000 0.966 268 T CB 1.562 70.478 68.868 0.081 0.000 0.962 268 T HN 0.383 nan 8.240 nan 0.000 0.438 269 L N 4.085 125.366 121.223 0.097 0.000 2.276 269 L HA 0.535 4.855 4.340 -0.034 0.000 0.286 269 L C -0.774 176.134 176.870 0.065 0.000 1.024 269 L CA -0.471 54.458 54.840 0.148 0.000 0.826 269 L CB 0.590 42.744 42.059 0.158 0.000 1.211 269 L HN 0.471 nan 8.230 nan 0.000 0.422 270 N N 5.457 124.247 118.700 0.150 0.000 2.472 270 N HA 0.447 5.166 4.740 -0.034 0.000 0.277 270 N C -1.072 174.386 175.510 -0.087 0.000 1.081 270 N CA -0.077 52.997 53.050 0.040 0.000 0.973 270 N CB 1.176 39.718 38.487 0.092 0.000 1.105 270 N HN 0.506 nan 8.380 nan 0.000 0.470 271 L N 3.674 124.721 121.223 -0.293 0.000 2.313 271 L HA 0.414 4.734 4.340 -0.034 0.000 0.273 271 L C -2.163 174.332 176.870 -0.625 0.000 1.028 271 L CA -1.982 52.460 54.840 -0.663 0.000 0.871 271 L CB 1.098 42.664 42.059 -0.821 0.000 1.242 271 L HN 0.268 nan 8.230 nan 0.000 0.434 272 P HA -0.181 nan 4.420 nan 0.000 0.265 272 P C -0.298 176.767 177.300 -0.392 0.000 1.151 272 P CA 0.612 63.358 63.100 -0.590 0.000 0.755 272 P CB 0.339 31.339 31.700 -1.167 0.000 0.756 273 E N 3.829 123.872 120.200 -0.262 0.000 2.371 273 E HA 0.406 4.736 4.350 -0.034 0.000 0.257 273 E C -0.277 176.193 176.600 -0.216 0.000 1.134 273 E CA -0.641 55.572 56.400 -0.311 0.000 0.919 273 E CB 0.806 30.386 29.700 -0.200 0.000 1.025 273 E HN 0.319 nan 8.360 nan 0.000 0.438 274 M N 2.213 121.620 119.600 -0.322 0.000 2.277 274 M HA 0.225 4.685 4.480 -0.034 0.000 0.282 274 M C -2.252 174.007 176.300 -0.068 0.000 1.074 274 M CA -0.520 54.724 55.300 -0.094 0.000 0.954 274 M CB 1.725 34.244 32.600 -0.135 0.000 1.672 274 M HN 0.720 nan 8.290 nan 0.000 0.471 275 W N 3.643 125.022 121.300 0.131 0.000 2.520 275 W HA 0.531 5.170 4.660 -0.034 0.000 0.323 275 W C -0.705 175.887 176.519 0.122 0.000 1.062 275 W CA -0.151 57.287 57.345 0.155 0.000 1.215 275 W CB 1.624 31.172 29.460 0.147 0.000 1.340 275 W HN 0.655 nan 8.180 nan 0.000 0.516 276 E N 2.668 123.071 120.200 0.338 0.000 2.287 276 E HA 0.319 4.648 4.350 -0.034 0.000 0.274 276 E C -1.674 175.054 176.600 0.212 0.000 0.896 276 E CA -0.372 56.163 56.400 0.224 0.000 0.788 276 E CB 2.527 32.291 29.700 0.108 0.000 1.244 276 E HN 0.072 nan 8.360 nan 0.000 0.408 277 V N 2.886 122.923 119.914 0.204 0.000 2.472 277 V HA 0.540 4.640 4.120 -0.034 0.000 0.290 277 V C -0.377 175.831 176.094 0.189 0.000 1.037 277 V CA -0.334 62.084 62.300 0.197 0.000 0.908 277 V CB 1.598 33.535 31.823 0.190 0.000 0.985 277 V HN 0.733 nan 8.190 nan 0.000 0.454 278 S N 2.414 118.219 115.700 0.175 0.000 2.541 278 S HA 0.894 5.344 4.470 -0.034 0.000 0.271 278 S C -0.357 174.262 174.600 0.031 0.000 1.133 278 S CA -0.624 57.642 58.200 0.111 0.000 0.876 278 S CB 2.074 65.308 63.200 0.056 0.000 1.105 278 S HN 1.117 nan 8.310 nan 0.000 0.470 279 G N 0.220 108.866 108.800 -0.258 0.000 2.591 279 G HA2 0.640 4.579 3.960 -0.034 0.000 0.306 279 G HA3 0.640 4.579 3.960 -0.034 0.000 0.306 279 G C -2.113 172.370 174.900 -0.694 0.000 1.334 279 G CA -0.761 43.988 45.100 -0.584 0.000 0.981 279 G HN 0.789 nan 8.290 nan 0.000 0.491 280 Y N 1.986 121.925 120.300 -0.603 0.000 2.386 280 Y HA 0.590 5.120 4.550 -0.033 0.000 0.334 280 Y C -1.182 174.560 175.900 -0.263 0.000 1.002 280 Y CA -1.146 56.754 58.100 -0.334 0.000 1.068 280 Y CB 1.891 40.222 38.460 -0.214 0.000 1.203 280 Y HN 0.440 nan 8.280 nan 0.000 0.443 281 N N 5.291 123.562 118.700 -0.715 0.000 2.346 281 N HA 0.271 4.991 4.740 -0.034 0.000 0.289 281 N C -0.889 174.299 175.510 -0.537 0.000 1.027 281 N CA -0.804 51.962 53.050 -0.473 0.000 0.864 281 N CB 2.068 40.449 38.487 -0.178 0.000 1.370 281 N HN 0.592 nan 8.380 nan 0.000 0.481 282 R N 2.530 122.849 120.500 -0.302 0.000 4.394 282 R HA 0.145 4.465 4.340 -0.034 0.000 0.257 282 R C 0.887 177.155 176.300 -0.053 0.000 1.727 282 R CA -0.232 55.773 56.100 -0.158 0.000 1.497 282 R CB -0.873 29.384 30.300 -0.072 0.000 1.406 282 R HN 0.418 nan 8.270 nan 0.000 0.745 283 V N 0.034 119.930 119.914 -0.029 0.000 2.277 283 V HA -0.294 3.806 4.120 -0.034 0.000 0.255 283 V C 0.894 177.018 176.094 0.049 0.000 1.074 283 V CA 2.355 64.664 62.300 0.016 0.000 1.058 283 V CB -0.295 31.546 31.823 0.030 0.000 0.656 283 V HN 0.519 nan 8.190 nan 0.000 0.449 284 D N -3.339 117.129 120.400 0.113 0.000 2.645 284 D HA 0.342 4.962 4.640 -0.034 0.000 0.228 284 D C -2.135 174.233 176.300 0.114 0.000 1.148 284 D CA -1.859 52.222 54.000 0.134 0.000 0.860 284 D CB 2.114 43.051 40.800 0.229 0.000 1.548 284 D HN -0.183 nan 8.370 nan 0.000 0.460 285 P HA -0.169 nan 4.420 nan 0.000 0.218 285 P C 0.284 177.581 177.300 -0.006 0.000 1.150 285 P CA 1.487 64.587 63.100 0.001 0.000 0.841 285 P CB 0.170 31.873 31.700 0.005 0.000 0.784 286 Q N -4.150 115.713 119.800 0.105 0.000 2.194 286 Q HA 0.107 4.427 4.340 -0.034 0.000 0.214 286 Q C -0.409 175.643 176.000 0.087 0.000 0.838 286 Q CA -0.127 55.710 55.803 0.058 0.000 0.972 286 Q CB 0.387 29.123 28.738 -0.003 0.000 1.131 286 Q HN 0.278 nan 8.270 nan 0.000 0.498 287 W N 0.004 121.446 121.300 0.237 0.000 2.936 287 W HA 0.689 5.329 4.660 -0.034 0.000 0.338 287 W C -0.888 175.730 176.519 0.164 0.000 1.121 287 W CA -0.627 56.883 57.345 0.275 0.000 1.209 287 W CB 1.814 31.389 29.460 0.191 0.000 1.420 287 W HN -0.165 nan 8.180 nan 0.000 0.516 288 A N 3.211 126.316 122.820 0.475 0.000 2.574 288 A HA 0.780 5.079 4.320 -0.034 0.000 0.297 288 A C -2.038 175.640 177.584 0.156 0.000 1.062 288 A CA -0.705 51.434 52.037 0.171 0.000 0.686 288 A CB 1.475 20.556 19.000 0.135 0.000 1.285 288 A HN 0.768 nan 8.150 nan 0.000 0.403 289 I N 2.305 122.843 120.570 -0.053 0.000 2.646 289 I HA 0.740 4.890 4.170 -0.034 0.000 0.299 289 I C -1.336 174.685 176.117 -0.160 0.000 1.036 289 I CA -0.642 60.592 61.300 -0.110 0.000 1.074 289 I CB 1.701 39.701 38.000 0.000 0.000 1.258 289 I HN 0.872 nan 8.210 nan 0.000 0.430 290 H N 5.699 124.739 119.070 -0.050 0.000 3.017 290 H HA 0.354 4.890 4.556 -0.033 0.000 0.340 290 H C -2.103 173.139 175.328 -0.143 0.000 1.014 290 H CA -0.652 55.277 56.048 -0.197 0.000 1.341 290 H CB 0.628 30.399 29.762 0.015 0.000 1.739 290 H HN 0.602 nan 8.280 nan 0.000 0.506 291 Y N 1.198 121.578 120.300 0.134 0.000 2.562 291 Y HA 0.755 5.284 4.550 -0.034 0.000 0.343 291 Y C -0.303 175.671 175.900 0.124 0.000 1.025 291 Y CA -1.126 57.037 58.100 0.106 0.000 1.082 291 Y CB 1.860 40.362 38.460 0.070 0.000 1.264 291 Y HN 0.819 nan 8.280 nan 0.000 0.478 292 S N 1.466 117.328 115.700 0.270 0.000 2.625 292 S HA 0.748 5.198 4.470 -0.034 0.000 0.271 292 S C -2.142 172.586 174.600 0.212 0.000 1.161 292 S CA -0.803 57.527 58.200 0.216 0.000 0.820 292 S CB 1.997 65.278 63.200 0.135 0.000 1.137 292 S HN 1.108 nan 8.310 nan 0.000 0.470 293 L N 1.656 122.996 121.223 0.195 0.000 2.492 293 L HA 0.762 5.082 4.340 -0.034 0.000 0.259 293 L C -0.200 176.794 176.870 0.207 0.000 1.229 293 L CA -0.223 54.735 54.840 0.197 0.000 0.903 293 L CB 0.651 42.822 42.059 0.187 0.000 1.114 293 L HN 1.132 nan 8.230 nan 0.000 0.494 294 A N 3.138 126.062 122.820 0.174 0.000 2.409 294 A HA 0.432 4.732 4.320 -0.034 0.000 0.262 294 A C -1.309 176.430 177.584 0.258 0.000 1.113 294 A CA -0.069 52.076 52.037 0.181 0.000 0.790 294 A CB 0.033 19.077 19.000 0.073 0.000 1.046 294 A HN 0.650 nan 8.150 nan 0.000 0.496 295 Y N 1.953 122.362 120.300 0.182 0.000 2.334 295 Y HA 0.446 4.976 4.550 -0.033 0.000 0.336 295 Y C -0.032 175.980 175.900 0.187 0.000 0.960 295 Y CA -0.001 58.225 58.100 0.211 0.000 1.164 295 Y CB 1.615 40.209 38.460 0.223 0.000 1.155 295 Y HN 0.579 nan 8.280 nan 0.000 0.478 296 T N 4.504 119.095 114.554 0.061 0.000 2.788 296 T HA 0.170 4.500 4.350 -0.034 0.000 0.296 296 T C -0.333 174.359 174.700 -0.013 0.000 1.009 296 T CA -0.666 61.451 62.100 0.028 0.000 0.949 296 T CB 0.573 69.458 68.868 0.028 0.000 0.946 296 T HN 0.593 nan 8.240 nan 0.000 0.453 297 S N 3.167 118.907 115.700 0.066 0.000 3.517 297 S HA 0.046 4.495 4.470 -0.034 0.000 0.284 297 S C 0.500 175.101 174.600 0.002 0.000 1.260 297 S CA -0.580 57.701 58.200 0.135 0.000 0.975 297 S CB -0.274 63.091 63.200 0.276 0.000 1.540 297 S HN 0.752 nan 8.310 nan 0.000 0.506 298 W N 1.552 122.916 121.300 0.107 0.000 3.077 298 W HA 0.011 4.651 4.660 -0.032 0.000 0.245 298 W C 2.003 178.651 176.519 0.215 0.000 1.316 298 W CA -0.046 57.402 57.345 0.172 0.000 1.537 298 W CB -0.368 29.238 29.460 0.244 0.000 1.131 298 W HN 0.491 nan 8.180 nan 0.000 0.695 299 S N -0.046 115.849 115.700 0.326 0.000 2.419 299 S HA -0.255 4.195 4.470 -0.034 0.000 0.235 299 S C 1.565 176.280 174.600 0.190 0.000 1.019 299 S CA 1.225 59.574 58.200 0.249 0.000 0.982 299 S CB -0.316 63.008 63.200 0.206 0.000 0.789 299 S HN 0.464 nan 8.310 nan 0.000 0.490 300 Q N -0.534 119.363 119.800 0.162 0.000 2.364 300 Q HA 0.055 4.375 4.340 -0.034 0.000 0.207 300 Q C 0.125 176.208 176.000 0.138 0.000 0.970 300 Q CA 0.525 56.394 55.803 0.109 0.000 0.888 300 Q CB -0.021 28.745 28.738 0.047 0.000 0.951 300 Q HN 0.523 nan 8.270 nan 0.000 0.469 301 F N 1.423 121.393 119.950 0.034 0.000 2.359 301 F HA 0.178 4.685 4.527 -0.034 0.000 0.355 301 F C 0.731 176.491 175.800 -0.066 0.000 1.132 301 F CA -0.383 57.615 58.000 -0.002 0.000 1.246 301 F CB 0.409 39.453 39.000 0.074 0.000 1.569 301 F HN -0.147 nan 8.300 nan 0.000 0.561 302 Q N 2.544 122.125 119.800 -0.364 0.000 2.165 302 Q HA 0.018 4.338 4.340 -0.034 0.000 0.197 302 Q C 0.125 175.790 176.000 -0.559 0.000 0.952 302 Q CA 0.992 56.583 55.803 -0.353 0.000 0.848 302 Q CB 0.249 28.923 28.738 -0.107 0.000 0.931 302 Q HN 0.801 nan 8.270 nan 0.000 0.470 303 Q N -1.352 118.110 119.800 -0.564 0.000 2.648 303 Q HA 0.569 4.889 4.340 -0.034 0.000 0.300 303 Q C -1.271 174.538 176.000 -0.319 0.000 0.954 303 Q CA -0.645 54.905 55.803 -0.421 0.000 0.757 303 Q CB 1.110 29.767 28.738 -0.136 0.000 1.482 303 Q HN -0.027 nan 8.270 nan 0.000 0.437 304 L N 1.450 122.603 121.223 -0.117 0.000 2.353 304 L HA 0.560 4.880 4.340 -0.034 0.000 0.270 304 L C -1.021 175.919 176.870 0.117 0.000 1.003 304 L CA -0.520 54.366 54.840 0.076 0.000 0.862 304 L CB 1.584 43.775 42.059 0.221 0.000 1.221 304 L HN 0.647 nan 8.230 nan 0.000 0.430 305 K N 3.204 123.666 120.400 0.104 0.000 2.394 305 K HA 0.691 4.991 4.320 -0.034 0.000 0.260 305 K C -0.793 175.883 176.600 0.127 0.000 0.967 305 K CA -0.405 55.938 56.287 0.093 0.000 0.855 305 K CB 1.807 34.329 32.500 0.038 0.000 1.101 305 K HN 0.576 nan 8.250 nan 0.000 0.433 306 A N 3.429 126.337 122.820 0.146 0.000 2.256 306 A HA 0.406 4.706 4.320 -0.034 0.000 0.317 306 A C -0.143 177.438 177.584 -0.005 0.000 1.318 306 A CA -0.585 51.497 52.037 0.075 0.000 0.894 306 A CB 0.443 19.455 19.000 0.020 0.000 1.165 306 A HN 0.800 nan 8.150 nan 0.000 0.525 307 T N 0.188 114.773 114.554 0.052 0.000 2.936 307 T HA 0.731 5.061 4.350 -0.034 0.000 0.282 307 T C 0.610 175.347 174.700 0.061 0.000 1.003 307 T CA -0.036 62.080 62.100 0.027 0.000 1.005 307 T CB 1.232 70.116 68.868 0.027 0.000 1.097 307 T HN 0.988 nan 8.240 nan 0.000 0.532 308 S N -0.248 115.453 115.700 0.003 0.000 2.719 308 S HA 0.348 4.798 4.470 -0.034 0.000 0.285 308 S C 1.726 176.260 174.600 -0.109 0.000 1.137 308 S CA -0.076 58.142 58.200 0.029 0.000 1.012 308 S CB 0.377 63.585 63.200 0.013 0.000 1.134 308 S HN 1.017 nan 8.310 nan 0.000 0.544 309 T N -1.163 113.343 114.554 -0.081 0.000 2.833 309 T HA -0.110 4.220 4.350 -0.034 0.000 0.269 309 T C 1.544 176.107 174.700 -0.229 0.000 1.054 309 T CA 1.340 63.292 62.100 -0.248 0.000 1.135 309 T CB -1.213 67.637 68.868 -0.031 0.000 0.869 309 T HN 0.804 nan 8.240 nan 0.000 0.466 310 S N 0.564 116.194 115.700 -0.116 0.000 2.803 310 S HA 0.470 4.920 4.470 -0.034 0.000 0.228 310 S C 1.845 176.390 174.600 -0.091 0.000 0.953 310 S CA 0.041 58.190 58.200 -0.086 0.000 0.983 310 S CB -0.813 62.363 63.200 -0.041 0.000 0.784 310 S HN 1.104 nan 8.310 nan 0.000 0.498 311 G N 1.150 109.867 108.800 -0.137 0.000 2.196 311 G HA2 -0.270 3.670 3.960 -0.034 0.000 0.268 311 G HA3 -0.270 3.670 3.960 -0.034 0.000 0.268 311 G C -0.361 174.504 174.900 -0.058 0.000 0.975 311 G CA 0.428 45.466 45.100 -0.104 0.000 0.648 311 G HN 0.587 nan 8.290 nan 0.000 0.538 312 D N 1.135 121.506 120.400 -0.047 0.000 2.304 312 D HA 0.468 5.088 4.640 -0.034 0.000 0.250 312 D C 0.831 177.113 176.300 -0.030 0.000 1.107 312 D CA 0.237 54.219 54.000 -0.030 0.000 0.885 312 D CB 0.872 41.660 40.800 -0.020 0.000 1.192 312 D HN 0.071 nan 8.370 nan 0.000 0.436 313 T N 2.869 117.407 114.554 -0.028 0.000 2.871 313 T HA 0.020 4.349 4.350 -0.034 0.000 0.296 313 T C 1.118 175.786 174.700 -0.054 0.000 0.998 313 T CA -0.165 61.914 62.100 -0.036 0.000 1.162 313 T CB 0.484 69.332 68.868 -0.032 0.000 0.947 313 T HN 0.146 nan 8.240 nan 0.000 0.536 314 L N 2.576 123.731 121.223 -0.113 0.000 2.547 314 L HA 0.523 4.843 4.340 -0.034 0.000 0.218 314 L C 0.050 176.853 176.870 -0.111 0.000 1.048 314 L CA 0.723 55.432 54.840 -0.219 0.000 0.859 314 L CB -0.326 41.337 42.059 -0.659 0.000 1.128 314 L HN 0.655 nan 8.230 nan 0.000 0.483 315 F N 0.026 119.830 119.950 -0.244 0.000 2.608 315 F HA 0.605 5.112 4.527 -0.034 0.000 0.309 315 F C -1.009 174.756 175.800 -0.057 0.000 1.103 315 F CA -0.516 57.421 58.000 -0.104 0.000 0.954 315 F CB 1.478 40.424 39.000 -0.090 0.000 1.267 315 F HN -0.060 nan 8.300 nan 0.000 0.444 316 Q N 5.656 125.049 119.800 -0.678 0.000 2.487 316 Q HA 0.237 4.557 4.340 -0.034 0.000 0.234 316 Q C -2.099 173.616 176.000 -0.475 0.000 0.828 316 Q CA -0.797 54.771 55.803 -0.393 0.000 0.907 316 Q CB 1.417 30.052 28.738 -0.172 0.000 1.462 316 Q HN 0.557 nan 8.270 nan 0.000 0.442 317 K N 2.640 122.825 120.400 -0.358 0.000 2.274 317 K HA 0.263 4.563 4.320 -0.034 0.000 0.262 317 K C -1.490 175.079 176.600 -0.052 0.000 0.961 317 K CA -0.621 55.555 56.287 -0.185 0.000 0.833 317 K CB 1.006 33.467 32.500 -0.064 0.000 1.102 317 K HN 0.758 nan 8.250 nan 0.000 0.436 318 H N 3.531 122.547 119.070 -0.091 0.000 2.723 318 H HA 0.171 4.707 4.556 -0.034 0.000 0.294 318 H C 0.420 175.732 175.328 -0.027 0.000 1.079 318 H CA 0.122 56.126 56.048 -0.074 0.000 1.411 318 H CB 0.846 30.581 29.762 -0.044 0.000 1.439 318 H HN 0.545 nan 8.280 nan 0.000 0.474 319 E N 3.607 123.483 120.200 -0.539 0.000 2.065 319 E HA 0.107 4.437 4.350 -0.034 0.000 0.191 319 E C 1.178 177.624 176.600 -0.257 0.000 0.960 319 E CA 0.881 57.099 56.400 -0.303 0.000 0.824 319 E CB -0.270 29.094 29.700 -0.560 0.000 0.793 319 E HN 0.972 nan 8.360 nan 0.000 0.459 320 G N 2.435 110.974 108.800 -0.435 0.000 2.314 320 G HA2 -0.275 3.665 3.960 -0.034 0.000 0.292 320 G HA3 -0.275 3.665 3.960 -0.034 0.000 0.292 320 G C 0.084 175.135 174.900 0.252 0.000 1.059 320 G CA 0.311 45.332 45.100 -0.132 0.000 0.982 320 G HN 0.138 nan 8.290 nan 0.000 0.505 321 F N -0.211 119.760 119.950 0.035 0.000 2.426 321 F HA 0.521 5.028 4.527 -0.034 0.000 0.309 321 F C 1.094 176.985 175.800 0.150 0.000 1.246 321 F CA 0.034 58.108 58.000 0.123 0.000 1.229 321 F CB 0.894 40.066 39.000 0.286 0.000 1.255 321 F HN 0.339 nan 8.300 nan 0.000 0.558 322 K N -0.620 119.987 120.400 0.344 0.000 2.508 322 K HA 0.330 4.630 4.320 -0.034 0.000 0.260 322 K C -1.849 174.900 176.600 0.249 0.000 0.949 322 K CA -1.035 55.405 56.287 0.255 0.000 0.834 322 K CB 0.816 33.413 32.500 0.162 0.000 1.365 322 K HN 0.158 nan 8.250 nan 0.000 0.437 323 D N 0.559 121.084 120.400 0.208 0.000 2.667 323 D HA 0.241 4.861 4.640 -0.034 0.000 0.226 323 D C -0.257 176.041 176.300 -0.003 0.000 1.137 323 D CA 1.045 55.100 54.000 0.092 0.000 0.855 323 D CB 0.492 41.337 40.800 0.075 0.000 1.194 323 D HN 0.764 nan 8.370 nan 0.000 0.492 324 A N 1.484 124.249 122.820 -0.092 0.000 2.524 324 A HA 0.801 5.101 4.320 -0.034 0.000 0.289 324 A C -1.390 176.140 177.584 -0.090 0.000 1.248 324 A CA -0.825 51.182 52.037 -0.050 0.000 0.712 324 A CB 1.252 20.225 19.000 -0.045 0.000 1.312 324 A HN 0.600 nan 8.150 nan 0.000 0.441 325 Y N -1.791 118.382 120.300 -0.211 0.000 2.715 325 Y HA 0.883 5.413 4.550 -0.034 0.000 0.331 325 Y C -0.467 175.326 175.900 -0.178 0.000 1.197 325 Y CA -1.177 56.832 58.100 -0.152 0.000 1.079 325 Y CB 1.475 39.899 38.460 -0.059 0.000 1.298 325 Y HN 0.703 nan 8.280 nan 0.000 0.477 326 R N 2.385 122.879 120.500 -0.011 0.000 2.695 326 R HA 0.448 4.768 4.340 -0.034 0.000 0.288 326 R C -2.150 174.162 176.300 0.020 0.000 1.344 326 R CA -0.310 55.693 56.100 -0.162 0.000 1.005 326 R CB 1.011 31.199 30.300 -0.188 0.000 1.233 326 R HN 0.902 nan 8.270 nan 0.000 0.442 327 I N 2.931 123.545 120.570 0.073 0.000 2.440 327 I HA 0.509 4.658 4.170 -0.034 0.000 0.294 327 I C -0.005 176.164 176.117 0.087 0.000 0.995 327 I CA -0.493 60.905 61.300 0.164 0.000 1.306 327 I CB 1.829 39.990 38.000 0.269 0.000 1.407 327 I HN 0.672 nan 8.210 nan 0.000 0.501 328 A N 6.791 129.678 122.820 0.112 0.000 2.459 328 A HA 0.743 5.043 4.320 -0.034 0.000 0.296 328 A C -1.657 176.015 177.584 0.147 0.000 1.039 328 A CA -0.409 51.683 52.037 0.092 0.000 0.698 328 A CB 1.710 20.733 19.000 0.037 0.000 1.261 328 A HN 0.541 nan 8.150 nan 0.000 0.405 329 L N 1.815 123.114 121.223 0.127 0.000 2.410 329 L HA 0.968 5.287 4.340 -0.034 0.000 0.270 329 L C -0.056 176.852 176.870 0.063 0.000 0.983 329 L CA 0.559 55.472 54.840 0.121 0.000 0.822 329 L CB 2.123 44.251 42.059 0.115 0.000 1.285 329 L HN 1.422 nan 8.230 nan 0.000 0.409 330 G N 1.251 110.031 108.800 -0.032 0.000 2.547 330 G HA2 0.583 4.523 3.960 -0.034 0.000 0.291 330 G HA3 0.583 4.523 3.960 -0.034 0.000 0.291 330 G C -1.362 173.305 174.900 -0.388 0.000 1.471 330 G CA 0.069 45.118 45.100 -0.086 0.000 0.798 330 G HN 0.825 nan 8.290 nan 0.000 0.504 331 T N -2.418 112.040 114.554 -0.160 0.000 2.887 331 T HA 0.833 5.163 4.350 -0.034 0.000 0.292 331 T C -0.612 174.209 174.700 0.200 0.000 1.087 331 T CA -0.668 61.380 62.100 -0.087 0.000 1.009 331 T CB 2.193 71.205 68.868 0.240 0.000 1.203 331 T HN 0.603 nan 8.240 nan 0.000 0.518 332 T N 1.644 116.393 114.554 0.324 0.000 2.863 332 T HA 0.508 4.838 4.350 -0.034 0.000 0.285 332 T C -1.980 172.710 174.700 -0.016 0.000 1.009 332 T CA -0.426 61.765 62.100 0.151 0.000 0.989 332 T CB 1.057 69.975 68.868 0.082 0.000 1.004 332 T HN 0.624 nan 8.240 nan 0.000 0.455 333 Y N 3.133 123.208 120.300 -0.375 0.000 2.575 333 Y HA 0.396 4.926 4.550 -0.034 0.000 0.326 333 Y C -1.055 174.677 175.900 -0.280 0.000 0.979 333 Y CA -2.036 55.709 58.100 -0.591 0.000 1.286 333 Y CB 0.024 38.145 38.460 -0.566 0.000 1.093 333 Y HN 0.634 nan 8.280 nan 0.000 0.501 334 Y N 6.487 126.583 120.300 -0.341 0.000 2.734 334 Y HA -0.022 4.507 4.550 -0.034 0.000 0.353 334 Y C 1.381 177.051 175.900 -0.384 0.000 1.244 334 Y CA 0.076 58.014 58.100 -0.271 0.000 1.950 334 Y CB -0.869 37.492 38.460 -0.166 0.000 2.028 334 Y HN 0.730 nan 8.280 nan 0.000 0.421 335 Y N 1.921 121.905 120.300 -0.528 0.000 2.062 335 Y HA -0.319 4.211 4.550 -0.034 0.000 0.276 335 Y C 0.576 176.376 175.900 -0.165 0.000 1.189 335 Y CA 2.047 59.877 58.100 -0.450 0.000 1.130 335 Y CB 0.154 38.555 38.460 -0.098 0.000 0.959 335 Y HN 0.594 nan 8.280 nan 0.000 0.499 336 D N -4.702 115.682 120.400 -0.027 0.000 2.755 336 D HA 0.075 4.695 4.640 -0.034 0.000 0.277 336 D C 0.095 176.369 176.300 -0.043 0.000 1.261 336 D CA 0.000 53.953 54.000 -0.079 0.000 0.759 336 D CB -0.120 40.612 40.800 -0.113 0.000 1.279 336 D HN -0.110 nan 8.370 nan 0.000 0.420 337 D N -0.414 119.941 120.400 -0.074 0.000 2.360 337 D HA -0.246 4.374 4.640 -0.034 0.000 0.192 337 D C 0.898 177.074 176.300 -0.206 0.000 1.025 337 D CA 1.625 55.558 54.000 -0.112 0.000 0.903 337 D CB -0.009 40.732 40.800 -0.099 0.000 0.900 337 D HN 0.394 nan 8.370 nan 0.000 0.452 338 N N -1.227 117.334 118.700 -0.232 0.000 2.523 338 N HA -0.014 4.706 4.740 -0.034 0.000 0.209 338 N C 0.286 175.460 175.510 -0.560 0.000 1.039 338 N CA 0.114 52.831 53.050 -0.554 0.000 1.002 338 N CB -0.124 38.020 38.487 -0.571 0.000 1.270 338 N HN 0.162 nan 8.380 nan 0.000 0.481 339 W N 2.050 123.263 121.300 -0.144 0.000 2.238 339 W HA 0.248 4.888 4.660 -0.034 0.000 0.321 339 W C -0.180 176.086 176.519 -0.422 0.000 1.293 339 W CA 0.075 57.271 57.345 -0.249 0.000 1.204 339 W CB 0.812 30.218 29.460 -0.091 0.000 1.167 339 W HN -0.157 nan 8.180 nan 0.000 0.553 340 T N 3.389 117.678 114.554 -0.442 0.000 3.032 340 T HA 0.520 4.850 4.350 -0.034 0.000 0.312 340 T C -1.072 173.181 174.700 -0.745 0.000 1.078 340 T CA -0.788 61.000 62.100 -0.519 0.000 1.028 340 T CB 0.924 69.539 68.868 -0.421 0.000 1.091 340 T HN 0.067 nan 8.240 nan 0.000 0.457 341 F N 1.384 121.299 119.950 -0.058 0.000 2.639 341 F HA 0.880 5.387 4.527 -0.033 0.000 0.339 341 F C 0.530 176.305 175.800 -0.040 0.000 1.071 341 F CA -1.206 56.792 58.000 -0.004 0.000 0.994 341 F CB 1.751 40.783 39.000 0.054 0.000 1.341 341 F HN 0.589 nan 8.300 nan 0.000 0.498 342 R N -0.696 119.932 120.500 0.214 0.000 2.753 342 R HA 0.777 5.097 4.340 -0.034 0.000 0.272 342 R C -2.085 174.299 176.300 0.141 0.000 1.034 342 R CA -0.933 55.255 56.100 0.145 0.000 0.869 342 R CB 1.767 32.124 30.300 0.095 0.000 1.264 342 R HN 0.614 nan 8.270 nan 0.000 0.481 343 T N -0.233 114.403 114.554 0.137 0.000 2.886 343 T HA 0.748 5.077 4.350 -0.034 0.000 0.330 343 T C -1.149 173.613 174.700 0.103 0.000 1.488 343 T CA -0.293 61.873 62.100 0.111 0.000 1.054 343 T CB 2.132 71.060 68.868 0.101 0.000 1.348 343 T HN 0.964 nan 8.240 nan 0.000 0.489 344 G N 0.759 109.619 108.800 0.101 0.000 2.698 344 G HA2 0.742 4.682 3.960 -0.034 0.000 0.293 344 G HA3 0.742 4.682 3.960 -0.034 0.000 0.293 344 G C -1.954 173.027 174.900 0.135 0.000 1.437 344 G CA -0.564 44.598 45.100 0.103 0.000 0.852 344 G HN 0.749 nan 8.290 nan 0.000 0.499 345 I N 0.177 120.829 120.570 0.137 0.000 2.689 345 I HA 0.781 4.930 4.170 -0.034 0.000 0.299 345 I C 0.007 176.223 176.117 0.166 0.000 1.059 345 I CA -0.972 60.434 61.300 0.177 0.000 1.055 345 I CB 2.333 40.423 38.000 0.151 0.000 1.243 345 I HN 0.839 nan 8.210 nan 0.000 0.425 346 A N 4.483 127.426 122.820 0.204 0.000 2.594 346 A HA 0.712 5.011 4.320 -0.034 0.000 0.296 346 A C -1.989 175.656 177.584 0.102 0.000 1.061 346 A CA -0.381 51.706 52.037 0.084 0.000 0.689 346 A CB 1.593 20.524 19.000 -0.116 0.000 1.280 346 A HN 0.557 nan 8.150 nan 0.000 0.406 347 F N 2.777 122.621 119.950 -0.176 0.000 2.539 347 F HA 0.622 5.129 4.527 -0.033 0.000 0.328 347 F C -1.281 174.298 175.800 -0.369 0.000 1.148 347 F CA -0.990 56.799 58.000 -0.352 0.000 0.940 347 F CB 1.611 40.333 39.000 -0.464 0.000 1.194 347 F HN 0.618 nan 8.300 nan 0.000 0.438 348 D N 4.128 123.856 120.400 -1.120 0.000 2.375 348 D HA 0.229 4.848 4.640 -0.034 0.000 0.247 348 D C -0.992 174.553 176.300 -1.258 0.000 1.061 348 D CA -0.498 52.845 54.000 -1.096 0.000 0.834 348 D CB 1.649 42.103 40.800 -0.577 0.000 1.247 348 D HN 0.376 nan 8.370 nan 0.000 0.489 349 D N 0.577 120.228 120.400 -1.248 0.000 2.382 349 D HA 0.107 4.727 4.640 -0.034 0.000 0.245 349 D C -0.323 175.673 176.300 -0.507 0.000 1.120 349 D CA -0.005 53.479 54.000 -0.861 0.000 0.890 349 D CB 1.286 41.560 40.800 -0.875 0.000 1.201 349 D HN 0.325 nan 8.370 nan 0.000 0.433 350 S N 3.038 118.517 115.700 -0.368 0.000 2.565 350 S HA 0.242 4.692 4.470 -0.034 0.000 0.276 350 S C -1.727 172.657 174.600 -0.359 0.000 1.326 350 S CA -1.131 56.855 58.200 -0.357 0.000 1.045 350 S CB 1.315 64.348 63.200 -0.279 0.000 0.918 350 S HN 0.269 nan 8.310 nan 0.000 0.505 351 P HA 0.085 nan 4.420 nan 0.000 0.220 351 P C -0.222 176.766 177.300 -0.519 0.000 1.154 351 P CA 0.177 62.992 63.100 -0.475 0.000 0.830 351 P CB -0.036 31.164 31.700 -0.834 0.000 0.803 352 V N 2.967 122.399 119.914 -0.803 0.000 2.425 352 V HA 0.076 4.175 4.120 -0.034 0.000 0.276 352 V C -2.158 173.770 176.094 -0.277 0.000 1.017 352 V CA -0.973 60.929 62.300 -0.662 0.000 1.062 352 V CB -0.263 31.152 31.823 -0.680 0.000 0.997 352 V HN 0.061 nan 8.190 nan 0.000 0.476 353 P HA 0.290 nan 4.420 nan 0.000 0.282 353 P C -0.193 177.096 177.300 -0.018 0.000 1.274 353 P CA -0.202 62.873 63.100 -0.043 0.000 0.770 353 P CB 0.840 32.549 31.700 0.014 0.000 0.867 354 A N 3.834 126.649 122.820 -0.008 0.000 2.540 354 A HA 0.136 4.436 4.320 -0.034 0.000 0.264 354 A C 0.871 178.478 177.584 0.038 0.000 1.080 354 A CA 0.898 52.944 52.037 0.015 0.000 0.776 354 A CB -0.832 18.181 19.000 0.022 0.000 1.011 354 A HN 0.579 nan 8.150 nan 0.000 0.514 355 Q N 1.076 120.907 119.800 0.051 0.000 5.506 355 Q HA -0.095 4.225 4.340 -0.034 0.000 0.279 355 Q C 0.173 176.226 176.000 0.088 0.000 0.793 355 Q CA 1.347 57.192 55.803 0.070 0.000 1.099 355 Q CB -1.534 27.245 28.738 0.068 0.000 0.493 355 Q HN 0.903 nan 8.270 nan 0.000 1.104 356 N N -1.266 117.479 118.700 0.076 0.000 2.149 356 N HA 0.188 4.908 4.740 -0.034 0.000 0.229 356 N C -0.567 174.987 175.510 0.073 0.000 1.284 356 N CA -0.688 52.419 53.050 0.095 0.000 0.864 356 N CB 0.596 39.142 38.487 0.097 0.000 1.169 356 N HN -0.138 nan 8.380 nan 0.000 0.478 357 R N 2.299 122.816 120.500 0.029 0.000 2.587 357 R HA 0.012 4.332 4.340 -0.034 0.000 0.268 357 R C 0.043 176.367 176.300 0.040 0.000 0.978 357 R CA 0.769 56.871 56.100 0.003 0.000 1.097 357 R CB 0.153 30.454 30.300 0.001 0.000 0.917 357 R HN 0.245 nan 8.270 nan 0.000 0.414 358 S N 0.693 116.410 115.700 0.028 0.000 2.536 358 S HA 0.259 4.709 4.470 -0.034 0.000 0.271 358 S C 1.120 175.701 174.600 -0.031 0.000 1.134 358 S CA -1.033 57.177 58.200 0.016 0.000 0.897 358 S CB 1.218 64.458 63.200 0.066 0.000 1.094 358 S HN 0.661 nan 8.310 nan 0.000 0.473 359 I N -0.169 120.312 120.570 -0.147 0.000 2.800 359 I HA -0.037 4.112 4.170 -0.034 0.000 0.266 359 I C 1.962 178.091 176.117 0.021 0.000 1.249 359 I CA 1.439 62.651 61.300 -0.147 0.000 1.458 359 I CB -0.506 37.206 38.000 -0.482 0.000 1.093 359 I HN 0.607 nan 8.210 nan 0.000 0.466 360 S N 1.292 116.999 115.700 0.011 0.000 2.362 360 S HA 0.165 4.615 4.470 -0.034 0.000 0.221 360 S C 1.247 175.907 174.600 0.101 0.000 1.032 360 S CA 0.521 58.771 58.200 0.083 0.000 0.973 360 S CB -0.102 63.146 63.200 0.080 0.000 0.849 360 S HN 0.460 nan 8.310 nan 0.000 0.465 361 I N 2.835 123.468 120.570 0.105 0.000 2.578 361 I HA 0.293 4.442 4.170 -0.034 0.000 0.284 361 I C -2.718 173.422 176.117 0.038 0.000 1.156 361 I CA -2.211 59.157 61.300 0.114 0.000 1.165 361 I CB 1.228 39.376 38.000 0.248 0.000 1.567 361 I HN 0.069 nan 8.210 nan 0.000 0.546 362 P HA 0.054 nan 4.420 nan 0.000 0.259 362 P C -0.874 176.392 177.300 -0.056 0.000 1.211 362 P CA 0.503 63.589 63.100 -0.023 0.000 0.810 362 P CB 0.247 31.929 31.700 -0.031 0.000 0.815 363 D N 2.409 122.758 120.400 -0.086 0.000 2.990 363 D HA 0.325 4.945 4.640 -0.034 0.000 0.227 363 D C -1.230 174.989 176.300 -0.135 0.000 1.249 363 D CA -0.421 53.499 54.000 -0.133 0.000 0.891 363 D CB 1.340 42.014 40.800 -0.210 0.000 1.647 363 D HN 0.150 nan 8.370 nan 0.000 0.530 364 Q N 2.043 121.774 119.800 -0.116 0.000 2.501 364 Q HA 0.386 4.706 4.340 -0.034 0.000 0.288 364 Q C -1.157 174.801 176.000 -0.070 0.000 1.051 364 Q CA -0.765 54.993 55.803 -0.075 0.000 0.788 364 Q CB 0.830 29.554 28.738 -0.023 0.000 1.469 364 Q HN 0.364 nan 8.270 nan 0.000 0.416 365 D N 1.575 121.966 120.400 -0.015 0.000 2.533 365 D HA 0.087 4.707 4.640 -0.034 0.000 0.236 365 D C -0.298 176.054 176.300 0.085 0.000 1.137 365 D CA 0.637 54.631 54.000 -0.010 0.000 0.867 365 D CB 0.762 41.677 40.800 0.192 0.000 1.170 365 D HN 0.256 nan 8.370 nan 0.000 0.474 366 R N 1.562 122.024 120.500 -0.064 0.000 2.589 366 R HA 0.473 4.793 4.340 -0.034 0.000 0.293 366 R C -0.635 175.742 176.300 0.129 0.000 0.963 366 R CA -0.725 55.431 56.100 0.094 0.000 0.905 366 R CB 1.212 31.561 30.300 0.081 0.000 1.144 366 R HN 0.244 nan 8.270 nan 0.000 0.459 367 F N 1.283 121.373 119.950 0.235 0.000 2.458 367 F HA 0.350 4.857 4.527 -0.033 0.000 0.336 367 F C -0.557 175.394 175.800 0.251 0.000 1.114 367 F CA -0.609 57.574 58.000 0.304 0.000 0.987 367 F CB 1.158 40.283 39.000 0.209 0.000 1.130 367 F HN 0.344 nan 8.300 nan 0.000 0.458 368 W N 5.586 126.960 121.300 0.124 0.000 2.376 368 W HA 0.628 5.268 4.660 -0.033 0.000 0.312 368 W C -1.179 175.380 176.519 0.068 0.000 1.060 368 W CA -0.782 56.590 57.345 0.046 0.000 1.221 368 W CB 1.471 30.934 29.460 0.005 0.000 1.281 368 W HN 0.161 nan 8.180 nan 0.000 0.456 369 L N 3.919 125.237 121.223 0.158 0.000 2.362 369 L HA 0.813 5.133 4.340 -0.034 0.000 0.275 369 L C -0.397 176.510 176.870 0.063 0.000 0.998 369 L CA -0.288 54.625 54.840 0.122 0.000 0.820 369 L CB 1.560 43.682 42.059 0.104 0.000 1.270 369 L HN 0.289 nan 8.230 nan 0.000 0.415 370 S N 2.788 118.540 115.700 0.086 0.000 2.547 370 S HA 0.965 5.415 4.470 -0.034 0.000 0.270 370 S C -1.438 173.203 174.600 0.069 0.000 1.150 370 S CA -0.352 57.884 58.200 0.060 0.000 0.850 370 S CB 1.723 64.975 63.200 0.087 0.000 1.118 370 S HN 0.970 nan 8.310 nan 0.000 0.461 371 A N 0.662 123.520 122.820 0.064 0.000 2.520 371 A HA 0.975 5.275 4.320 -0.034 0.000 0.298 371 A C -0.228 177.410 177.584 0.090 0.000 1.051 371 A CA -0.269 51.818 52.037 0.083 0.000 0.690 371 A CB 1.594 20.643 19.000 0.081 0.000 1.281 371 A HN 1.311 nan 8.150 nan 0.000 0.402 372 G N -0.792 108.073 108.800 0.109 0.000 2.788 372 G HA2 0.830 4.770 3.960 -0.034 0.000 0.293 372 G HA3 0.830 4.770 3.960 -0.034 0.000 0.293 372 G C -0.926 174.060 174.900 0.142 0.000 1.392 372 G CA 0.027 45.188 45.100 0.102 0.000 0.810 372 G HN 1.478 nan 8.290 nan 0.000 0.508 373 T N -1.158 113.445 114.554 0.080 0.000 3.047 373 T HA 0.625 4.955 4.350 -0.034 0.000 0.340 373 T C -1.462 173.202 174.700 -0.059 0.000 1.421 373 T CA -0.278 61.838 62.100 0.025 0.000 1.090 373 T CB 1.700 70.686 68.868 0.196 0.000 1.292 373 T HN 0.624 nan 8.240 nan 0.000 0.480 374 T N 4.092 118.542 114.554 -0.173 0.000 2.841 374 T HA 0.510 4.840 4.350 -0.034 0.000 0.285 374 T C -1.740 172.769 174.700 -0.318 0.000 0.991 374 T CA -0.425 61.547 62.100 -0.213 0.000 0.966 374 T CB 0.869 69.600 68.868 -0.227 0.000 0.962 374 T HN 0.531 nan 8.240 nan 0.000 0.438 375 Y N 2.494 122.454 120.300 -0.565 0.000 2.341 375 Y HA 0.634 5.164 4.550 -0.034 0.000 0.337 375 Y C -0.560 174.839 175.900 -0.835 0.000 1.014 375 Y CA -1.297 56.262 58.100 -0.903 0.000 1.111 375 Y CB 1.041 38.828 38.460 -1.122 0.000 1.194 375 Y HN 0.742 nan 8.280 nan 0.000 0.462 376 A N 6.506 128.514 122.820 -1.353 0.000 2.293 376 A HA 0.408 4.707 4.320 -0.034 0.000 0.312 376 A C -0.200 176.773 177.584 -1.019 0.000 1.309 376 A CA -0.618 50.877 52.037 -0.904 0.000 0.839 376 A CB -0.352 18.339 19.000 -0.515 0.000 1.155 376 A HN 0.884 nan 8.150 nan 0.000 0.501 377 F N 1.888 121.573 119.950 -0.441 0.000 2.095 377 F HA -0.172 4.335 4.527 -0.034 0.000 0.298 377 F C 1.533 177.214 175.800 -0.199 0.000 1.104 377 F CA 2.113 59.972 58.000 -0.235 0.000 1.232 377 F CB -0.360 38.627 39.000 -0.021 0.000 0.987 377 F HN 0.771 nan 8.300 nan 0.000 0.475 378 N N -2.392 116.322 118.700 0.024 0.000 3.630 378 N HA 0.234 4.954 4.740 -0.034 0.000 0.345 378 N C 0.392 175.861 175.510 -0.068 0.000 1.621 378 N CA -0.684 52.351 53.050 -0.024 0.000 0.678 378 N CB 0.350 38.853 38.487 0.027 0.000 2.628 378 N HN -0.426 nan 8.380 nan 0.000 0.616 379 K N -0.388 119.980 120.400 -0.054 0.000 2.137 379 K HA 0.082 4.382 4.320 -0.034 0.000 0.202 379 K C 0.375 176.927 176.600 -0.081 0.000 1.052 379 K CA 1.217 57.460 56.287 -0.074 0.000 0.961 379 K CB -0.410 32.052 32.500 -0.064 0.000 0.741 379 K HN 0.533 nan 8.250 nan 0.000 0.452 380 D N 0.689 121.039 120.400 -0.083 0.000 2.183 380 D HA -0.004 4.616 4.640 -0.034 0.000 0.205 380 D C 0.796 177.057 176.300 -0.066 0.000 0.962 380 D CA 0.496 54.398 54.000 -0.163 0.000 0.849 380 D CB -0.087 40.543 40.800 -0.283 0.000 0.978 380 D HN 0.062 nan 8.370 nan 0.000 0.488 381 A N 0.185 123.052 122.820 0.078 0.000 2.269 381 A HA 0.688 4.988 4.320 -0.034 0.000 0.319 381 A C -0.017 177.678 177.584 0.185 0.000 1.110 381 A CA -0.209 51.965 52.037 0.229 0.000 0.847 381 A CB 0.930 20.134 19.000 0.341 0.000 1.161 381 A HN 0.176 nan 8.150 nan 0.000 0.497 382 S N -0.666 115.171 115.700 0.228 0.000 2.602 382 S HA 0.407 4.857 4.470 -0.034 0.000 0.301 382 S C -1.308 173.304 174.600 0.020 0.000 1.091 382 S CA -0.326 57.860 58.200 -0.023 0.000 0.895 382 S CB 0.330 63.457 63.200 -0.121 0.000 1.090 382 S HN 1.919 nan 8.310 nan 0.000 0.449 383 V N 1.906 121.743 119.914 -0.128 0.000 2.630 383 V HA 0.749 4.849 4.120 -0.034 0.000 0.305 383 V C -1.420 174.538 176.094 -0.226 0.000 1.046 383 V CA -0.274 61.890 62.300 -0.227 0.000 0.934 383 V CB 1.789 33.478 31.823 -0.224 0.000 1.003 383 V HN 1.026 nan 8.190 nan 0.000 0.451 384 D N 3.765 124.030 120.400 -0.225 0.000 2.362 384 D HA 0.639 5.259 4.640 -0.034 0.000 0.247 384 D C -1.005 175.239 176.300 -0.094 0.000 1.050 384 D CA 0.040 53.959 54.000 -0.135 0.000 0.839 384 D CB 2.150 42.890 40.800 -0.099 0.000 1.283 384 D HN 0.371 nan 8.370 nan 0.000 0.477 385 V N 1.028 120.922 119.914 -0.033 0.000 2.638 385 V HA 0.855 4.955 4.120 -0.034 0.000 0.306 385 V C 0.203 176.330 176.094 0.056 0.000 1.052 385 V CA -0.645 61.672 62.300 0.028 0.000 0.885 385 V CB 2.111 33.968 31.823 0.058 0.000 0.999 385 V HN 0.636 nan 8.190 nan 0.000 0.424 386 G N 3.086 111.935 108.800 0.081 0.000 2.682 386 G HA2 0.695 4.634 3.960 -0.034 0.000 0.300 386 G HA3 0.695 4.634 3.960 -0.034 0.000 0.300 386 G C -1.694 173.262 174.900 0.094 0.000 1.391 386 G CA -0.510 44.631 45.100 0.069 0.000 0.990 386 G HN 0.582 nan 8.290 nan 0.000 0.501 387 V N 0.484 120.440 119.914 0.071 0.000 2.656 387 V HA 0.838 4.938 4.120 -0.034 0.000 0.307 387 V C -0.098 175.979 176.094 -0.029 0.000 1.051 387 V CA -0.886 61.432 62.300 0.030 0.000 0.893 387 V CB 1.777 33.675 31.823 0.127 0.000 0.999 387 V HN 0.860 nan 8.190 nan 0.000 0.426 388 S N 3.082 118.698 115.700 -0.141 0.000 2.614 388 S HA 0.657 5.107 4.470 -0.034 0.000 0.275 388 S C -1.844 172.489 174.600 -0.446 0.000 1.161 388 S CA -0.458 57.592 58.200 -0.250 0.000 0.969 388 S CB 1.206 64.222 63.200 -0.307 0.000 1.059 388 S HN 0.764 nan 8.310 nan 0.000 0.482 389 Y N 6.473 126.364 120.300 -0.682 0.000 2.341 389 Y HA 0.707 5.237 4.550 -0.034 0.000 0.338 389 Y C -0.588 174.868 175.900 -0.740 0.000 0.965 389 Y CA -0.859 56.629 58.100 -1.020 0.000 1.108 389 Y CB 1.433 39.094 38.460 -1.332 0.000 1.180 389 Y HN 0.756 nan 8.280 nan 0.000 0.458 390 M N 6.538 125.367 119.600 -1.286 0.000 2.124 390 M HA 0.384 4.844 4.480 -0.034 0.000 0.280 390 M C -1.803 174.003 176.300 -0.823 0.000 0.954 390 M CA -0.666 54.065 55.300 -0.948 0.000 0.958 390 M CB 1.634 33.557 32.600 -1.128 0.000 1.611 390 M HN 0.691 nan 8.290 nan 0.000 0.449 391 H N 2.021 120.701 119.070 -0.650 0.000 2.497 391 H HA 0.923 5.458 4.556 -0.034 0.000 0.348 391 H C -0.807 174.468 175.328 -0.088 0.000 1.335 391 H CA 0.667 56.484 56.048 -0.386 0.000 1.395 391 H CB 2.052 31.698 29.762 -0.193 0.000 1.658 391 H HN 0.986 nan 8.280 nan 0.000 0.613 392 G N 0.563 109.332 108.800 -0.052 0.000 2.559 392 G HA2 0.217 4.157 3.960 -0.034 0.000 0.291 392 G HA3 0.217 4.157 3.960 -0.034 0.000 0.291 392 G C -1.442 173.540 174.900 0.137 0.000 1.424 392 G CA -0.774 44.422 45.100 0.160 0.000 0.786 392 G HN 0.592 nan 8.290 nan 0.000 0.485 393 Q N 0.178 120.078 119.800 0.168 0.000 2.337 393 Q HA 0.513 4.832 4.340 -0.034 0.000 0.270 393 Q C 0.183 176.217 176.000 0.056 0.000 1.002 393 Q CA 0.211 56.086 55.803 0.121 0.000 0.888 393 Q CB 0.629 29.447 28.738 0.134 0.000 1.222 393 Q HN 0.420 nan 8.270 nan 0.000 0.400 394 S N 2.578 118.313 115.700 0.058 0.000 2.537 394 S HA 0.567 5.017 4.470 -0.034 0.000 0.275 394 S C -0.742 173.884 174.600 0.043 0.000 1.272 394 S CA -0.508 57.715 58.200 0.038 0.000 1.050 394 S CB 0.723 63.951 63.200 0.048 0.000 0.961 394 S HN 0.569 nan 8.310 nan 0.000 0.496 395 V N 0.781 120.719 119.914 0.040 0.000 3.078 395 V HA 0.646 4.746 4.120 -0.034 0.000 0.311 395 V C -0.984 175.149 176.094 0.065 0.000 1.138 395 V CA -1.226 61.102 62.300 0.047 0.000 1.007 395 V CB 1.716 33.559 31.823 0.033 0.000 1.045 395 V HN 0.675 nan 8.190 nan 0.000 0.432 396 K N 2.541 122.984 120.400 0.072 0.000 2.201 396 K HA 0.647 4.947 4.320 -0.034 0.000 0.278 396 K C -1.094 175.574 176.600 0.114 0.000 1.027 396 K CA -0.369 55.977 56.287 0.098 0.000 0.909 396 K CB 1.801 34.352 32.500 0.085 0.000 1.062 396 K HN 0.650 nan 8.250 nan 0.000 0.465 397 I N 3.049 123.723 120.570 0.173 0.000 2.389 397 I HA 0.162 4.311 4.170 -0.034 0.000 0.288 397 I C -0.414 175.875 176.117 0.286 0.000 0.999 397 I CA -0.777 60.642 61.300 0.197 0.000 1.129 397 I CB 1.459 39.561 38.000 0.170 0.000 1.288 397 I HN 0.405 nan 8.210 nan 0.000 0.444 398 N N 6.561 125.390 118.700 0.215 0.000 2.621 398 N HA 0.298 5.018 4.740 -0.034 0.000 0.237 398 N C -0.904 174.743 175.510 0.228 0.000 0.997 398 N CA -0.219 52.956 53.050 0.209 0.000 0.918 398 N CB 1.806 40.369 38.487 0.127 0.000 1.122 398 N HN 0.622 nan 8.380 nan 0.000 0.510 399 E N 0.557 120.965 120.200 0.346 0.000 2.266 399 E HA 0.523 4.853 4.350 -0.034 0.000 0.268 399 E C 0.659 177.450 176.600 0.318 0.000 0.879 399 E CA -0.699 55.889 56.400 0.312 0.000 0.762 399 E CB 1.766 31.657 29.700 0.317 0.000 1.199 399 E HN 0.557 nan 8.360 nan 0.000 0.422 400 G N 4.535 113.454 108.800 0.198 0.000 2.632 400 G HA2 -0.289 3.651 3.960 -0.034 0.000 0.322 400 G HA3 -0.289 3.651 3.960 -0.034 0.000 0.322 400 G C -1.201 173.702 174.900 0.006 0.000 1.326 400 G CA 0.305 45.477 45.100 0.119 0.000 0.986 400 G HN 0.638 nan 8.290 nan 0.000 0.541 401 P HA 0.189 nan 4.420 nan 0.000 0.249 401 P C -0.215 176.798 177.300 -0.477 0.000 1.229 401 P CA 0.821 63.680 63.100 -0.402 0.000 0.788 401 P CB 0.040 31.391 31.700 -0.581 0.000 1.072 402 Y N -0.521 119.741 120.300 -0.064 0.000 2.631 402 Y HA 0.615 5.145 4.550 -0.034 0.000 0.328 402 Y C 0.832 176.599 175.900 -0.222 0.000 1.118 402 Y CA -1.025 56.919 58.100 -0.260 0.000 1.206 402 Y CB 1.014 39.114 38.460 -0.600 0.000 1.337 402 Y HN -0.273 nan 8.280 nan 0.000 0.515 403 Q N 1.595 121.286 119.800 -0.181 0.000 2.533 403 Q HA 0.397 4.717 4.340 -0.034 0.000 0.251 403 Q C -2.051 173.889 176.000 -0.101 0.000 0.966 403 Q CA -0.312 55.468 55.803 -0.039 0.000 0.714 403 Q CB 0.546 29.283 28.738 -0.001 0.000 1.284 403 Q HN 0.595 nan 8.270 nan 0.000 0.478 404 F N 0.688 120.709 119.950 0.119 0.000 2.403 404 F HA 0.649 5.156 4.527 -0.033 0.000 0.326 404 F C 0.419 176.274 175.800 0.091 0.000 1.099 404 F CA -0.955 57.113 58.000 0.113 0.000 1.036 404 F CB 0.782 39.863 39.000 0.136 0.000 1.336 404 F HN 0.400 nan 8.300 nan 0.000 0.497 405 E N -0.205 120.185 120.200 0.316 0.000 2.340 405 E HA 0.588 4.918 4.350 -0.034 0.000 0.273 405 E C -1.492 175.206 176.600 0.164 0.000 0.891 405 E CA -0.542 55.969 56.400 0.186 0.000 0.757 405 E CB 2.114 31.892 29.700 0.131 0.000 1.231 405 E HN 0.540 nan 8.360 nan 0.000 0.439 406 S N 2.527 118.288 115.700 0.101 0.000 2.541 406 S HA 0.602 5.051 4.470 -0.034 0.000 0.271 406 S C -1.901 172.711 174.600 0.020 0.000 1.133 406 S CA -0.669 57.567 58.200 0.059 0.000 0.876 406 S CB 0.727 63.950 63.200 0.039 0.000 1.105 406 S HN 0.532 nan 8.310 nan 0.000 0.470 407 E N 1.701 121.896 120.200 -0.009 0.000 2.340 407 E HA 0.692 5.022 4.350 -0.034 0.000 0.273 407 E C -0.593 175.948 176.600 -0.099 0.000 0.891 407 E CA -1.382 54.989 56.400 -0.048 0.000 0.757 407 E CB 1.813 31.497 29.700 -0.026 0.000 1.231 407 E HN 0.698 nan 8.360 nan 0.000 0.439 408 G N 2.048 110.744 108.800 -0.172 0.000 2.719 408 G HA2 0.532 4.472 3.960 -0.034 0.000 0.298 408 G HA3 0.532 4.472 3.960 -0.034 0.000 0.298 408 G C -1.382 173.312 174.900 -0.344 0.000 1.433 408 G CA -0.939 44.037 45.100 -0.206 0.000 1.034 408 G HN 0.592 nan 8.290 nan 0.000 0.517 409 K N 0.312 120.532 120.400 -0.301 0.000 2.469 409 K HA 0.880 5.180 4.320 -0.034 0.000 0.254 409 K C -1.126 175.287 176.600 -0.312 0.000 0.939 409 K CA -1.064 54.986 56.287 -0.395 0.000 0.812 409 K CB 2.801 35.152 32.500 -0.248 0.000 1.301 409 K HN 0.936 nan 8.250 nan 0.000 0.433 410 A N 1.997 124.522 122.820 -0.492 0.000 2.520 410 A HA 0.656 4.956 4.320 -0.034 0.000 0.298 410 A C -2.214 175.084 177.584 -0.477 0.000 1.051 410 A CA -0.850 50.976 52.037 -0.352 0.000 0.690 410 A CB 0.847 19.657 19.000 -0.316 0.000 1.281 410 A HN 0.709 nan 8.150 nan 0.000 0.402 411 W N 0.678 121.860 121.300 -0.196 0.000 2.627 411 W HA 0.714 5.353 4.660 -0.034 0.000 0.339 411 W C -1.021 175.296 176.519 -0.336 0.000 1.058 411 W CA -0.406 56.786 57.345 -0.256 0.000 1.223 411 W CB 2.060 31.457 29.460 -0.106 0.000 1.389 411 W HN 0.451 nan 8.180 nan 0.000 0.541 412 L N 3.482 124.540 121.223 -0.275 0.000 2.482 412 L HA 0.458 4.777 4.340 -0.034 0.000 0.269 412 L C -1.032 175.694 176.870 -0.240 0.000 0.967 412 L CA -0.517 54.226 54.840 -0.162 0.000 0.851 412 L CB 0.582 42.554 42.059 -0.145 0.000 1.242 412 L HN 0.181 nan 8.230 nan 0.000 0.404 413 F N 0.683 120.775 119.950 0.238 0.000 2.523 413 F HA 0.938 5.445 4.527 -0.034 0.000 0.329 413 F C 0.826 176.727 175.800 0.167 0.000 1.061 413 F CA -1.057 57.072 58.000 0.215 0.000 0.967 413 F CB 2.308 41.452 39.000 0.241 0.000 1.218 413 F HN 0.432 nan 8.300 nan 0.000 0.480 414 G N 0.242 109.218 108.800 0.294 0.000 2.750 414 G HA2 0.522 4.462 3.960 -0.034 0.000 0.298 414 G HA3 0.522 4.462 3.960 -0.034 0.000 0.298 414 G C -1.516 173.452 174.900 0.112 0.000 1.412 414 G CA -0.697 44.505 45.100 0.171 0.000 1.078 414 G HN 0.585 nan 8.290 nan 0.000 0.573 415 T N 1.264 115.874 114.554 0.093 0.000 2.938 415 T HA 0.796 5.126 4.350 -0.034 0.000 0.285 415 T C -0.316 174.406 174.700 0.037 0.000 1.028 415 T CA -0.837 61.290 62.100 0.045 0.000 1.005 415 T CB 1.763 70.692 68.868 0.103 0.000 1.157 415 T HN 0.525 nan 8.240 nan 0.000 0.550 416 N N -0.201 118.470 118.700 -0.049 0.000 3.993 416 N HA 0.224 4.944 4.740 -0.034 0.000 0.204 416 N C -2.112 173.351 175.510 -0.078 0.000 1.071 416 N CA -0.354 52.740 53.050 0.073 0.000 1.076 416 N CB 1.254 39.768 38.487 0.045 0.000 1.644 416 N HN 0.371 nan 8.380 nan 0.000 0.650 417 F N 1.056 121.086 119.950 0.134 0.000 2.507 417 F HA 0.530 5.036 4.527 -0.034 0.000 0.327 417 F C 0.497 176.403 175.800 0.177 0.000 1.068 417 F CA -0.454 57.635 58.000 0.148 0.000 0.965 417 F CB 1.352 40.426 39.000 0.123 0.000 1.192 417 F HN 0.291 nan 8.300 nan 0.000 0.476 418 N N 0.263 119.164 118.700 0.334 0.000 2.262 418 N HA 0.580 5.299 4.740 -0.034 0.000 0.295 418 N C -2.098 173.603 175.510 0.318 0.000 1.161 418 N CA -0.750 52.474 53.050 0.290 0.000 0.767 418 N CB 2.479 41.063 38.487 0.162 0.000 1.499 418 N HN 0.589 nan 8.380 nan 0.000 0.476 419 Y N 0.759 121.132 120.300 0.122 0.000 2.521 419 Y HA 0.632 5.161 4.550 -0.034 0.000 0.328 419 Y C -1.971 173.908 175.900 -0.035 0.000 1.151 419 Y CA -0.779 57.304 58.100 -0.029 0.000 1.054 419 Y CB 1.267 39.612 38.460 -0.191 0.000 1.338 419 Y HN 0.612 nan 8.280 nan 0.000 0.453 420 A N 5.483 127.755 122.820 -0.913 0.000 2.398 420 A HA 0.740 5.040 4.320 -0.034 0.000 0.301 420 A C -1.666 175.362 177.584 -0.927 0.000 1.041 420 A CA -0.566 51.123 52.037 -0.579 0.000 0.711 420 A CB 0.553 19.445 19.000 -0.181 0.000 1.240 420 A HN 0.611 nan 8.150 nan 0.000 0.420 421 F N 0.000 119.777 119.950 -0.288 0.000 2.286 421 F HA 0.000 4.507 4.527 -0.033 0.000 0.279 421 F CA 0.000 57.934 58.000 -0.109 0.000 1.383 421 F CB 0.000 39.076 39.000 0.127 0.000 1.145 421 F HN 0.000 nan 8.300 nan 0.000 0.574