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 3m6w_1_A DATA FIRST_RESID 2 DATA SEQUENCE LPKAFLSRMA ELLGEEFPAF LKALTEGKRT YGLRVNTLKL PPEAFQRISP DATA SEQUENCE WPLRPIPWCQ EGFYYPEEAR PGPHPFFYAG LYYIQEPSAQ AVGVLLDPKP DATA SEQUENCE GERVLDLAAA PGGKTTHLAA RMGGKGLLLA NEVDGKRVRG LLENVERWGA DATA SEQUENCE PLAVTQAPPR ALAEAFGTYF HRVLLDAPCS GEGMFRKDRE AARHWGPSAP DATA SEQUENCE KRMAEVQKAL LAQASRLLGP GGVLVYSTCT FAPEENEGVV AHFLKAHPEF DATA SEQUENCE RLEDARLHPL FAPGVPEWGE GNPELLKTAR LWPHRLEGEG HFLARFRKEG DATA SEQUENCE GAWSTPRLER PSPLSQEALR AFRGFLEEAG LTLEGPVLDR AGHLYLLPEG DATA SEQUENCE LPTLLGLKAP APGLYLGKVQ KGRFLPARAL ALAFGATLPW PEGLPRLALT DATA SEQUENCE PEDPRALAFA TGEGVAWEGE DHPLALVVLK TAAGEFPLDF GKAKRGVLRP DATA SEQUENCE VGVGLRSHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.707 176.870 -0.271 0.000 1.165 2 L CA 0.000 54.633 54.840 -0.345 0.000 0.813 2 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 3 P HA 0.163 nan 4.420 nan 0.000 0.271 3 P C 0.220 177.514 177.300 -0.009 0.000 1.216 3 P CA -0.620 62.381 63.100 -0.165 0.000 0.771 3 P CB 0.733 32.304 31.700 -0.214 0.000 0.864 4 K N 1.975 122.399 120.400 0.041 0.000 2.097 4 K HA -0.135 4.191 4.320 0.010 0.000 0.206 4 K C 1.560 178.211 176.600 0.084 0.000 1.049 4 K CA 1.546 57.867 56.287 0.057 0.000 0.933 4 K CB -0.782 31.744 32.500 0.044 0.000 0.717 4 K HN 0.328 nan 8.250 nan 0.000 0.442 5 A N 0.903 123.824 122.820 0.167 0.000 2.014 5 A HA -0.036 4.290 4.320 0.010 0.000 0.218 5 A C 1.903 179.636 177.584 0.248 0.000 1.163 5 A CA 0.710 52.889 52.037 0.237 0.000 0.652 5 A CB -0.681 18.540 19.000 0.368 0.000 0.808 5 A HN 0.512 nan 8.150 nan 0.000 0.449 6 F N 0.727 120.594 119.950 -0.138 0.000 2.146 6 F HA -0.100 4.434 4.527 0.012 0.000 0.298 6 F C 1.778 177.553 175.800 -0.041 0.000 1.096 6 F CA 1.575 59.371 58.000 -0.340 0.000 1.275 6 F CB -0.279 38.196 39.000 -0.875 0.000 1.008 6 F HN 0.135 nan 8.300 nan 0.000 0.480 7 L N 0.181 121.341 121.223 -0.104 0.000 2.046 7 L HA -0.215 4.131 4.340 0.010 0.000 0.208 7 L C 2.799 179.529 176.870 -0.234 0.000 1.077 7 L CA 1.525 56.307 54.840 -0.097 0.000 0.747 7 L CB -1.116 41.013 42.059 0.116 0.000 0.896 7 L HN 0.353 nan 8.230 nan 0.000 0.432 8 S N -0.155 115.451 115.700 -0.156 0.000 2.368 8 S HA -0.204 4.272 4.470 0.010 0.000 0.225 8 S C 2.063 176.529 174.600 -0.224 0.000 1.030 8 S CA 0.781 58.865 58.200 -0.194 0.000 0.999 8 S CB -0.393 62.756 63.200 -0.085 0.000 0.844 8 S HN 0.334 nan 8.310 nan 0.000 0.459 9 R N 0.190 120.599 120.500 -0.152 0.000 2.083 9 R HA 0.046 4.392 4.340 0.010 0.000 0.237 9 R C 2.438 178.586 176.300 -0.254 0.000 1.137 9 R CA 1.828 57.843 56.100 -0.142 0.000 0.951 9 R CB -0.393 29.899 30.300 -0.014 0.000 0.851 9 R HN 0.392 nan 8.270 nan 0.000 0.434 10 M N -0.260 119.123 119.600 -0.361 0.000 2.254 10 M HA 0.003 4.489 4.480 0.010 0.000 0.265 10 M C 2.334 178.423 176.300 -0.353 0.000 1.066 10 M CA 1.181 56.281 55.300 -0.333 0.000 1.123 10 M CB -0.931 31.470 32.600 -0.332 0.000 1.388 10 M HN 0.181 nan 8.290 nan 0.000 0.425 11 A N 0.069 122.430 122.820 -0.766 0.000 1.902 11 A HA -0.188 4.138 4.320 0.010 0.000 0.217 11 A C 2.216 179.541 177.584 -0.431 0.000 1.181 11 A CA 1.863 53.254 52.037 -1.077 0.000 0.623 11 A CB -0.707 17.513 19.000 -1.300 0.000 0.818 11 A HN 0.571 nan 8.150 nan 0.000 0.443 12 E N -0.115 119.900 120.200 -0.309 0.000 2.072 12 E HA -0.147 4.209 4.350 0.010 0.000 0.191 12 E C 1.970 178.517 176.600 -0.089 0.000 0.985 12 E CA 1.066 57.367 56.400 -0.164 0.000 0.801 12 E CB -0.182 29.438 29.700 -0.133 0.000 0.750 12 E HN 0.628 nan 8.360 nan 0.000 0.452 13 L N 0.402 121.559 121.223 -0.109 0.000 2.093 13 L HA -0.145 4.201 4.340 0.010 0.000 0.208 13 L C 2.440 179.402 176.870 0.153 0.000 1.085 13 L CA 0.822 55.667 54.840 0.008 0.000 0.755 13 L CB -0.117 41.820 42.059 -0.205 0.000 0.904 13 L HN 0.212 nan 8.230 nan 0.000 0.435 14 L N -1.551 119.679 121.223 0.013 0.000 2.513 14 L HA 0.208 4.554 4.340 0.010 0.000 0.222 14 L C 1.637 178.509 176.870 0.003 0.000 1.096 14 L CA 0.341 55.178 54.840 -0.006 0.000 0.857 14 L CB -0.398 41.583 42.059 -0.130 0.000 1.026 14 L HN 0.412 nan 8.230 nan 0.000 0.469 15 G N 1.179 109.979 108.800 -0.000 0.000 2.622 15 G HA2 -0.408 3.558 3.960 0.010 0.000 0.307 15 G HA3 -0.408 3.558 3.960 0.010 0.000 0.307 15 G C 0.668 175.586 174.900 0.029 0.000 1.226 15 G CA 0.666 45.767 45.100 0.002 0.000 0.997 15 G HN 0.393 nan 8.290 nan 0.000 0.551 16 E N 0.879 121.088 120.200 0.015 0.000 2.409 16 E HA 0.005 4.361 4.350 0.010 0.000 0.198 16 E C 2.132 178.737 176.600 0.008 0.000 1.024 16 E CA 0.852 57.263 56.400 0.018 0.000 0.861 16 E CB 0.048 29.751 29.700 0.006 0.000 0.788 16 E HN 0.631 nan 8.360 nan 0.000 0.521 17 E N -0.100 120.091 120.200 -0.016 0.000 2.442 17 E HA -0.099 4.257 4.350 0.010 0.000 0.195 17 E C 1.382 177.913 176.600 -0.115 0.000 1.030 17 E CA -0.095 56.259 56.400 -0.077 0.000 0.869 17 E CB 0.064 29.686 29.700 -0.131 0.000 0.857 17 E HN 0.198 nan 8.360 nan 0.000 0.505 18 F N 2.056 121.907 119.950 -0.165 0.000 2.134 18 F HA -0.036 4.496 4.527 0.009 0.000 0.299 18 F C -1.242 174.504 175.800 -0.090 0.000 1.097 18 F CA 1.003 58.922 58.000 -0.135 0.000 1.264 18 F CB -0.940 37.999 39.000 -0.102 0.000 1.001 18 F HN 0.083 nan 8.300 nan 0.000 0.479 19 P HA -0.178 nan 4.420 nan 0.000 0.215 19 P C 1.566 178.682 177.300 -0.307 0.000 1.153 19 P CA 2.444 65.377 63.100 -0.278 0.000 0.853 19 P CB -0.357 31.293 31.700 -0.082 0.000 0.788 20 A N -1.279 121.403 122.820 -0.230 0.000 1.930 20 A HA -0.189 4.137 4.320 0.010 0.000 0.217 20 A C 2.098 179.497 177.584 -0.309 0.000 1.175 20 A CA 1.233 53.159 52.037 -0.186 0.000 0.627 20 A CB -1.783 17.185 19.000 -0.052 0.000 0.815 20 A HN 0.143 nan 8.150 nan 0.000 0.443 21 F N 0.378 119.866 119.950 -0.769 0.000 2.102 21 F HA -0.152 4.381 4.527 0.010 0.000 0.298 21 F C 1.842 177.340 175.800 -0.504 0.000 1.105 21 F CA 1.778 59.285 58.000 -0.822 0.000 1.239 21 F CB -0.414 38.041 39.000 -0.908 0.000 0.991 21 F HN 0.206 nan 8.300 nan 0.000 0.474 22 L N 1.030 121.808 121.223 -0.741 0.000 2.046 22 L HA -0.193 4.153 4.340 0.010 0.000 0.208 22 L C 2.456 179.065 176.870 -0.436 0.000 1.077 22 L CA 2.142 56.558 54.840 -0.708 0.000 0.747 22 L CB -1.063 40.468 42.059 -0.879 0.000 0.896 22 L HN 0.219 nan 8.230 nan 0.000 0.432 23 K N -0.767 119.429 120.400 -0.339 0.000 2.057 23 K HA -0.177 4.149 4.320 0.010 0.000 0.207 23 K C 2.008 178.507 176.600 -0.168 0.000 1.049 23 K CA 1.304 57.470 56.287 -0.202 0.000 0.931 23 K CB -0.260 32.154 32.500 -0.142 0.000 0.714 23 K HN 0.484 nan 8.250 nan 0.000 0.440 24 A N 1.246 123.956 122.820 -0.184 0.000 1.908 24 A HA -0.147 4.179 4.320 0.010 0.000 0.218 24 A C 2.087 179.582 177.584 -0.148 0.000 1.181 24 A CA 1.363 53.332 52.037 -0.112 0.000 0.627 24 A CB -0.589 18.395 19.000 -0.026 0.000 0.818 24 A HN 0.310 nan 8.150 nan 0.000 0.445 25 L N -0.373 120.682 121.223 -0.280 0.000 2.056 25 L HA -0.139 4.207 4.340 0.010 0.000 0.207 25 L C 2.953 179.755 176.870 -0.114 0.000 1.078 25 L CA 1.868 56.585 54.840 -0.205 0.000 0.749 25 L CB -0.846 41.039 42.059 -0.290 0.000 0.901 25 L HN 0.669 nan 8.230 nan 0.000 0.433 26 T N -4.194 110.282 114.554 -0.131 0.000 3.009 26 T HA -0.008 4.348 4.350 0.010 0.000 0.258 26 T C 1.489 176.154 174.700 -0.059 0.000 1.063 26 T CA 0.619 62.668 62.100 -0.084 0.000 1.139 26 T CB 0.131 68.945 68.868 -0.090 0.000 0.890 26 T HN 0.348 nan 8.240 nan 0.000 0.471 27 E N 0.599 120.760 120.200 -0.064 0.000 2.474 27 E HA 0.285 4.641 4.350 0.010 0.000 0.215 27 E C 1.192 177.775 176.600 -0.029 0.000 0.867 27 E CA -0.249 56.126 56.400 -0.041 0.000 1.135 27 E CB 0.447 30.121 29.700 -0.043 0.000 1.147 27 E HN 0.540 nan 8.360 nan 0.000 0.534 28 G N 1.971 110.750 108.800 -0.035 0.000 2.491 28 G HA2 0.015 3.981 3.960 0.010 0.000 0.238 28 G HA3 0.015 3.981 3.960 0.010 0.000 0.238 28 G C -0.267 174.630 174.900 -0.005 0.000 1.277 28 G CA -0.227 44.864 45.100 -0.016 0.000 0.851 28 G HN -0.046 nan 8.290 nan 0.000 0.573 29 K N 1.518 121.920 120.400 0.004 0.000 2.401 29 K HA 0.099 4.425 4.320 0.010 0.000 0.278 29 K C 0.724 177.326 176.600 0.003 0.000 1.018 29 K CA 0.024 56.322 56.287 0.018 0.000 0.981 29 K CB 0.927 33.442 32.500 0.025 0.000 0.933 29 K HN 0.466 nan 8.250 nan 0.000 0.477 30 R N 1.137 121.638 120.500 0.002 0.000 2.698 30 R HA -0.007 4.339 4.340 0.010 0.000 0.266 30 R C 0.515 176.677 176.300 -0.230 0.000 1.026 30 R CA 0.325 56.353 56.100 -0.119 0.000 1.102 30 R CB 0.188 30.407 30.300 -0.135 0.000 0.978 30 R HN 0.677 nan 8.270 nan 0.000 0.436 31 T N -0.668 113.664 114.554 -0.370 0.000 2.945 31 T HA 0.515 4.871 4.350 0.010 0.000 0.286 31 T C -0.888 173.421 174.700 -0.652 0.000 1.025 31 T CA -0.745 61.183 62.100 -0.286 0.000 1.039 31 T CB 0.961 69.823 68.868 -0.010 0.000 1.068 31 T HN 0.445 nan 8.240 nan 0.000 0.497 32 Y N -0.334 119.891 120.300 -0.124 0.000 2.361 32 Y HA 0.636 5.191 4.550 0.009 0.000 0.328 32 Y C 0.423 176.090 175.900 -0.388 0.000 1.044 32 Y CA -0.863 56.968 58.100 -0.448 0.000 1.085 32 Y CB 2.474 40.322 38.460 -1.020 0.000 1.194 32 Y HN 1.209 nan 8.280 nan 0.000 0.438 33 G N 2.708 111.489 108.800 -0.031 0.000 2.524 33 G HA2 0.728 4.694 3.960 0.010 0.000 0.310 33 G HA3 0.728 4.694 3.960 0.010 0.000 0.310 33 G C -1.796 173.291 174.900 0.312 0.000 1.279 33 G CA -0.959 44.200 45.100 0.097 0.000 0.974 33 G HN 0.548 nan 8.290 nan 0.000 0.484 34 L N -1.163 120.221 121.223 0.269 0.000 2.350 34 L HA 0.930 5.276 4.340 0.010 0.000 0.260 34 L C -0.379 176.563 176.870 0.122 0.000 1.015 34 L CA -1.432 53.511 54.840 0.171 0.000 0.821 34 L CB 2.303 44.319 42.059 -0.071 0.000 1.370 34 L HN 0.588 nan 8.230 nan 0.000 0.416 35 R N 1.337 121.920 120.500 0.139 0.000 2.502 35 R HA 0.724 5.070 4.340 0.010 0.000 0.300 35 R C -1.542 174.853 176.300 0.158 0.000 0.984 35 R CA -0.684 55.460 56.100 0.073 0.000 0.882 35 R CB 1.958 32.218 30.300 -0.065 0.000 1.180 35 R HN 0.691 nan 8.270 nan 0.000 0.444 36 V N 3.967 123.942 119.914 0.102 0.000 2.655 36 V HA -0.013 4.113 4.120 0.010 0.000 0.300 36 V C 0.569 176.693 176.094 0.050 0.000 1.044 36 V CA -0.228 62.092 62.300 0.033 0.000 1.095 36 V CB 0.931 32.807 31.823 0.089 0.000 0.952 36 V HN 0.690 nan 8.190 nan 0.000 0.485 37 N N 3.543 122.155 118.700 -0.147 0.000 2.466 37 N HA 0.004 4.750 4.740 0.010 0.000 0.263 37 N C 1.321 176.676 175.510 -0.258 0.000 1.178 37 N CA 0.457 53.248 53.050 -0.431 0.000 0.983 37 N CB 0.935 38.697 38.487 -1.207 0.000 1.331 37 N HN 0.860 nan 8.380 nan 0.000 0.500 38 T N 0.567 115.081 114.554 -0.067 0.000 3.113 38 T HA -0.037 4.319 4.350 0.010 0.000 0.263 38 T C 1.893 176.571 174.700 -0.037 0.000 1.143 38 T CA 0.485 62.577 62.100 -0.013 0.000 1.090 38 T CB -0.141 68.759 68.868 0.054 0.000 0.922 38 T HN 0.409 nan 8.240 nan 0.000 0.521 39 L N -0.225 120.928 121.223 -0.116 0.000 2.201 39 L HA 0.042 4.388 4.340 0.010 0.000 0.212 39 L C 2.792 179.610 176.870 -0.086 0.000 1.105 39 L CA 1.276 56.053 54.840 -0.106 0.000 0.775 39 L CB -0.364 41.583 42.059 -0.187 0.000 0.913 39 L HN 0.265 nan 8.230 nan 0.000 0.440 40 K N -0.245 120.073 120.400 -0.137 0.000 2.287 40 K HA 0.261 4.587 4.320 0.010 0.000 0.199 40 K C 0.203 176.888 176.600 0.142 0.000 1.061 40 K CA 0.393 56.675 56.287 -0.008 0.000 0.976 40 K CB 0.629 33.025 32.500 -0.173 0.000 0.898 40 K HN 0.141 nan 8.250 nan 0.000 0.492 41 L N -1.662 119.583 121.223 0.036 0.000 2.653 41 L HA 0.570 4.916 4.340 0.010 0.000 0.257 41 L C -3.244 173.673 176.870 0.079 0.000 0.969 41 L CA -2.201 52.707 54.840 0.113 0.000 0.869 41 L CB 2.287 44.446 42.059 0.166 0.000 1.439 41 L HN -0.213 nan 8.230 nan 0.000 0.414 42 P HA 0.366 nan 4.420 nan 0.000 0.276 42 P C -2.430 174.968 177.300 0.162 0.000 1.252 42 P CA -1.522 61.644 63.100 0.109 0.000 0.802 42 P CB 0.412 32.170 31.700 0.097 0.000 1.035 43 P HA -0.182 nan 4.420 nan 0.000 0.216 43 P C 1.517 179.033 177.300 0.360 0.000 1.150 43 P CA 1.633 64.942 63.100 0.349 0.000 0.837 43 P CB -0.165 31.703 31.700 0.280 0.000 0.786 44 E N 0.164 120.504 120.200 0.233 0.000 2.150 44 E HA -0.130 4.226 4.350 0.010 0.000 0.193 44 E C 1.854 178.511 176.600 0.096 0.000 0.985 44 E CA 1.521 58.020 56.400 0.164 0.000 0.814 44 E CB -1.136 28.634 29.700 0.118 0.000 0.752 44 E HN 0.144 nan 8.360 nan 0.000 0.466 45 A N 1.049 123.935 122.820 0.109 0.000 1.898 45 A HA -0.077 4.249 4.320 0.010 0.000 0.216 45 A C 2.002 179.609 177.584 0.037 0.000 1.181 45 A CA 1.156 53.238 52.037 0.076 0.000 0.620 45 A CB -0.888 18.179 19.000 0.111 0.000 0.819 45 A HN 0.313 nan 8.150 nan 0.000 0.442 46 F N 0.552 120.483 119.950 -0.033 0.000 2.146 46 F HA -0.159 4.374 4.527 0.010 0.000 0.298 46 F C 2.414 178.118 175.800 -0.159 0.000 1.096 46 F CA 2.086 60.020 58.000 -0.110 0.000 1.275 46 F CB -0.407 38.552 39.000 -0.068 0.000 1.008 46 F HN 0.374 nan 8.300 nan 0.000 0.480 47 Q N 0.178 119.839 119.800 -0.232 0.000 2.135 47 Q HA -0.217 4.129 4.340 0.010 0.000 0.204 47 Q C 2.340 178.141 176.000 -0.331 0.000 0.981 47 Q CA 1.702 57.270 55.803 -0.391 0.000 0.856 47 Q CB -0.127 28.446 28.738 -0.276 0.000 0.902 47 Q HN 0.400 nan 8.270 nan 0.000 0.425 48 R N 0.127 120.498 120.500 -0.215 0.000 2.120 48 R HA -0.111 4.235 4.340 0.010 0.000 0.234 48 R C 2.177 178.347 176.300 -0.217 0.000 1.123 48 R CA 1.578 57.580 56.100 -0.164 0.000 0.975 48 R CB -0.299 29.951 30.300 -0.083 0.000 0.866 48 R HN 0.517 nan 8.270 nan 0.000 0.446 49 I N -2.469 117.903 120.570 -0.329 0.000 3.956 49 I HA 0.178 4.354 4.170 0.010 0.000 0.333 49 I C 0.506 176.361 176.117 -0.436 0.000 1.302 49 I CA -0.338 60.787 61.300 -0.292 0.000 1.122 49 I CB 0.556 38.434 38.000 -0.203 0.000 1.013 49 I HN -0.188 nan 8.210 nan 0.000 0.405 50 S N 2.646 117.909 115.700 -0.729 0.000 2.537 50 S HA 0.231 4.707 4.470 0.010 0.000 0.286 50 S C -1.222 173.010 174.600 -0.613 0.000 1.299 50 S CA -0.806 56.902 58.200 -0.820 0.000 1.067 50 S CB 0.638 63.422 63.200 -0.693 0.000 0.864 50 S HN 0.152 nan 8.310 nan 0.000 0.494 51 P HA 0.112 nan 4.420 nan 0.000 0.233 51 P C -0.577 176.196 177.300 -0.879 0.000 1.167 51 P CA 0.606 63.084 63.100 -1.038 0.000 0.770 51 P CB 0.182 30.954 31.700 -1.547 0.000 0.837 52 W N -0.714 120.538 121.300 -0.081 0.000 2.844 52 W HA 0.384 5.051 4.660 0.011 0.000 0.340 52 W C -2.703 173.786 176.519 -0.050 0.000 1.093 52 W CA -2.762 54.556 57.345 -0.045 0.000 1.212 52 W CB -0.037 29.410 29.460 -0.022 0.000 1.422 52 W HN -0.275 nan 8.180 nan 0.000 0.515 53 P HA 0.170 nan 4.420 nan 0.000 0.268 53 P C -0.376 177.017 177.300 0.155 0.000 1.204 53 P CA 0.367 63.533 63.100 0.110 0.000 0.768 53 P CB 0.748 32.506 31.700 0.097 0.000 0.842 54 L N 3.458 124.739 121.223 0.096 0.000 2.323 54 L HA 0.621 4.967 4.340 0.010 0.000 0.265 54 L C 0.561 177.572 176.870 0.235 0.000 1.012 54 L CA -0.921 54.009 54.840 0.150 0.000 0.820 54 L CB 2.129 44.117 42.059 -0.119 0.000 1.334 54 L HN 0.249 nan 8.230 nan 0.000 0.427 55 R N 1.518 122.243 120.500 0.374 0.000 2.686 55 R HA 0.465 4.811 4.340 0.010 0.000 0.286 55 R C -2.678 173.872 176.300 0.417 0.000 0.969 55 R CA -1.789 54.532 56.100 0.368 0.000 0.898 55 R CB 2.222 32.705 30.300 0.305 0.000 1.183 55 R HN 0.310 nan 8.270 nan 0.000 0.456 56 P HA 0.112 nan 4.420 nan 0.000 0.275 56 P C -0.399 176.759 177.300 -0.235 0.000 1.227 56 P CA 0.017 63.067 63.100 -0.084 0.000 0.781 56 P CB 0.811 32.469 31.700 -0.070 0.000 0.906 57 I N 5.552 125.753 120.570 -0.615 0.000 2.352 57 I HA 0.099 4.275 4.170 0.010 0.000 0.290 57 I C -1.233 174.394 176.117 -0.817 0.000 1.036 57 I CA -2.159 58.571 61.300 -0.950 0.000 1.336 57 I CB 1.114 38.396 38.000 -1.196 0.000 1.407 57 I HN 0.208 nan 8.210 nan 0.000 0.497 58 P HA -0.152 nan 4.420 nan 0.000 0.218 58 P C 0.783 177.929 177.300 -0.257 0.000 1.148 58 P CA 1.450 64.306 63.100 -0.407 0.000 0.822 58 P CB 0.008 31.466 31.700 -0.403 0.000 0.784 59 W N -2.859 118.345 121.300 -0.160 0.000 3.316 59 W HA 0.441 5.107 4.660 0.009 0.000 0.327 59 W C -0.285 176.220 176.519 -0.023 0.000 1.232 59 W CA -0.629 56.676 57.345 -0.067 0.000 1.805 59 W CB -0.833 28.634 29.460 0.011 0.000 1.090 59 W HN -0.122 nan 8.180 nan 0.000 0.654 60 C N 3.239 122.403 119.300 -0.227 0.000 2.679 60 C HA 0.248 4.714 4.460 0.010 0.000 0.354 60 C C 1.483 176.336 174.990 -0.227 0.000 1.067 60 C CA -0.473 58.470 59.018 -0.125 0.000 1.317 60 C CB 0.797 28.469 27.740 -0.113 0.000 1.843 60 C HN 0.316 nan 8.230 nan 0.000 0.459 61 Q N 1.913 121.637 119.800 -0.126 0.000 2.226 61 Q HA -0.097 4.249 4.340 0.010 0.000 0.204 61 Q C 1.836 177.697 176.000 -0.231 0.000 0.975 61 Q CA 1.493 57.200 55.803 -0.160 0.000 0.866 61 Q CB 0.077 28.779 28.738 -0.060 0.000 0.915 61 Q HN 0.953 nan 8.270 nan 0.000 0.440 62 E N -0.052 120.047 120.200 -0.170 0.000 2.465 62 E HA 0.152 4.507 4.350 0.010 0.000 0.191 62 E C 0.353 176.790 176.600 -0.272 0.000 1.053 62 E CA 0.108 56.419 56.400 -0.148 0.000 0.869 62 E CB 0.142 29.835 29.700 -0.012 0.000 0.977 62 E HN 0.060 nan 8.360 nan 0.000 0.483 63 G N 0.532 109.050 108.800 -0.470 0.000 2.432 63 G HA2 0.544 4.510 3.960 0.010 0.000 0.331 63 G HA3 0.544 4.510 3.960 0.010 0.000 0.331 63 G C -1.389 173.044 174.900 -0.779 0.000 1.170 63 G CA -0.597 44.223 45.100 -0.465 0.000 0.943 63 G HN 0.042 nan 8.290 nan 0.000 0.483 64 F N -0.639 119.207 119.950 -0.174 0.000 2.591 64 F HA 0.405 4.937 4.527 0.009 0.000 0.309 64 F C -0.771 174.938 175.800 -0.152 0.000 1.098 64 F CA -0.865 57.056 58.000 -0.131 0.000 0.937 64 F CB 1.953 40.994 39.000 0.068 0.000 1.250 64 F HN 0.363 nan 8.300 nan 0.000 0.447 65 Y N 2.182 122.594 120.300 0.188 0.000 2.359 65 Y HA 0.303 4.859 4.550 0.009 0.000 0.330 65 Y C -0.044 175.969 175.900 0.189 0.000 1.143 65 Y CA -0.581 57.580 58.100 0.103 0.000 1.318 65 Y CB 0.101 38.584 38.460 0.038 0.000 1.234 65 Y HN 0.480 nan 8.280 nan 0.000 0.522 66 Y N 1.365 121.806 120.300 0.234 0.000 2.587 66 Y HA 0.814 5.369 4.550 0.009 0.000 0.337 66 Y C -3.096 172.814 175.900 0.017 0.000 1.065 66 Y CA -4.085 54.067 58.100 0.086 0.000 1.126 66 Y CB 0.512 38.921 38.460 -0.085 0.000 1.279 66 Y HN 0.325 nan 8.280 nan 0.000 0.489 67 P HA 0.085 nan 4.420 nan 0.000 0.271 67 P C 0.423 177.573 177.300 -0.250 0.000 1.216 67 P CA -0.040 63.041 63.100 -0.032 0.000 0.776 67 P CB 1.019 32.737 31.700 0.032 0.000 0.881 68 E N 2.701 122.661 120.200 -0.400 0.000 2.171 68 E HA -0.260 4.096 4.350 0.010 0.000 0.197 68 E C 1.282 177.606 176.600 -0.461 0.000 0.997 68 E CA 1.140 57.069 56.400 -0.785 0.000 0.810 68 E CB 0.142 29.597 29.700 -0.409 0.000 0.738 68 E HN 0.497 nan 8.360 nan 0.000 0.467 69 E N 0.364 120.429 120.200 -0.224 0.000 2.435 69 E HA 0.025 4.381 4.350 0.010 0.000 0.195 69 E C 0.395 176.921 176.600 -0.123 0.000 1.029 69 E CA 0.457 56.778 56.400 -0.130 0.000 0.865 69 E CB 0.014 29.681 29.700 -0.055 0.000 0.833 69 E HN 0.195 nan 8.360 nan 0.000 0.510 70 A N 1.688 124.399 122.820 -0.182 0.000 2.351 70 A HA 0.404 4.730 4.320 0.010 0.000 0.257 70 A C 0.050 177.398 177.584 -0.394 0.000 1.087 70 A CA -0.461 51.362 52.037 -0.356 0.000 0.798 70 A CB 0.326 18.854 19.000 -0.786 0.000 1.033 70 A HN 0.162 nan 8.150 nan 0.000 0.488 71 R N 1.785 122.050 120.500 -0.393 0.000 2.587 71 R HA 0.250 4.596 4.340 0.010 0.000 0.283 71 R C -2.351 173.767 176.300 -0.303 0.000 1.472 71 R CA -1.336 54.608 56.100 -0.260 0.000 1.578 71 R CB 0.949 31.217 30.300 -0.052 0.000 1.130 71 R HN 0.470 nan 8.270 nan 0.000 0.602 72 P HA -0.020 nan 4.420 nan 0.000 0.237 72 P C 1.282 178.608 177.300 0.043 0.000 1.178 72 P CA 0.607 63.421 63.100 -0.476 0.000 0.766 72 P CB 0.457 31.490 31.700 -1.112 0.000 0.876 73 G N 1.714 110.422 108.800 -0.153 0.000 2.454 73 G HA2 -0.097 3.869 3.960 0.010 0.000 0.214 73 G HA3 -0.097 3.869 3.960 0.010 0.000 0.214 73 G C -1.217 173.559 174.900 -0.208 0.000 1.217 73 G CA 0.516 45.384 45.100 -0.385 0.000 0.799 73 G HN 0.257 nan 8.290 nan 0.000 0.538 74 P HA 0.155 nan 4.420 nan 0.000 0.225 74 P C -0.939 176.529 177.300 0.281 0.000 1.813 74 P CA 0.409 63.606 63.100 0.162 0.000 1.013 74 P CB -0.193 31.562 31.700 0.092 0.000 1.961 75 H N 1.986 121.227 119.070 0.286 0.000 2.974 75 H HA 0.248 4.809 4.556 0.009 0.000 0.366 75 H C -2.253 173.288 175.328 0.354 0.000 1.155 75 H CA -1.746 54.465 56.048 0.273 0.000 1.186 75 H CB 2.654 32.630 29.762 0.356 0.000 1.799 75 H HN -0.163 nan 8.280 nan 0.000 0.541 76 P HA -0.113 nan 4.420 nan 0.000 0.219 76 P C 1.400 178.996 177.300 0.493 0.000 1.146 76 P CA 0.891 64.139 63.100 0.248 0.000 0.808 76 P CB 0.013 31.729 31.700 0.027 0.000 0.779 77 F N -1.645 118.659 119.950 0.590 0.000 2.216 77 F HA -0.081 4.451 4.527 0.010 0.000 0.300 77 F C 2.206 177.899 175.800 -0.177 0.000 1.085 77 F CA 0.172 58.327 58.000 0.258 0.000 1.326 77 F CB -1.752 37.506 39.000 0.429 0.000 1.027 77 F HN -0.094 nan 8.300 nan 0.000 0.497 78 F N -0.326 119.615 119.950 -0.015 0.000 2.102 78 F HA -0.264 4.270 4.527 0.011 0.000 0.298 78 F C 2.205 177.800 175.800 -0.342 0.000 1.105 78 F CA 1.697 59.462 58.000 -0.391 0.000 1.239 78 F CB -0.779 38.053 39.000 -0.281 0.000 0.991 78 F HN -0.095 nan 8.300 nan 0.000 0.474 79 Y N -0.077 120.333 120.300 0.182 0.000 2.439 79 Y HA 0.078 4.633 4.550 0.009 0.000 0.292 79 Y C 2.381 178.281 175.900 -0.000 0.000 1.130 79 Y CA 0.769 58.929 58.100 0.099 0.000 1.254 79 Y CB -0.960 37.618 38.460 0.197 0.000 1.000 79 Y HN 0.146 nan 8.280 nan 0.000 0.554 80 A N -0.178 122.714 122.820 0.120 0.000 2.235 80 A HA 0.306 4.631 4.320 0.010 0.000 0.208 80 A C 2.031 179.516 177.584 -0.166 0.000 1.172 80 A CA 0.828 52.888 52.037 0.038 0.000 0.786 80 A CB -1.189 17.884 19.000 0.121 0.000 0.804 80 A HN 0.568 nan 8.150 nan 0.000 0.479 81 G N -0.700 107.918 108.800 -0.303 0.000 2.198 81 G HA2 -0.261 3.705 3.960 0.010 0.000 0.260 81 G HA3 -0.261 3.705 3.960 0.010 0.000 0.260 81 G C 0.639 175.209 174.900 -0.550 0.000 1.025 81 G CA 0.491 45.359 45.100 -0.387 0.000 0.769 81 G HN 0.477 nan 8.290 nan 0.000 0.507 82 L N -1.550 119.304 121.223 -0.614 0.000 2.395 82 L HA 0.220 4.566 4.340 0.010 0.000 0.218 82 L C 1.223 177.776 176.870 -0.528 0.000 1.130 82 L CA 1.051 55.505 54.840 -0.644 0.000 0.826 82 L CB -0.394 41.289 42.059 -0.626 0.000 0.941 82 L HN 0.650 nan 8.230 nan 0.000 0.451 83 Y N -4.419 115.728 120.300 -0.255 0.000 2.656 83 Y HA 0.505 5.061 4.550 0.009 0.000 0.334 83 Y C -1.217 174.794 175.900 0.186 0.000 1.179 83 Y CA -2.276 55.782 58.100 -0.071 0.000 1.050 83 Y CB 0.597 38.899 38.460 -0.263 0.000 1.308 83 Y HN -0.153 nan 8.280 nan 0.000 0.456 84 Y N 2.221 122.763 120.300 0.403 0.000 2.360 84 Y HA 0.658 5.214 4.550 0.009 0.000 0.337 84 Y C -0.450 175.596 175.900 0.242 0.000 1.039 84 Y CA -1.269 56.953 58.100 0.203 0.000 1.109 84 Y CB 1.200 39.593 38.460 -0.111 0.000 1.201 84 Y HN 0.684 nan 8.280 nan 0.000 0.458 85 I N 6.520 127.141 120.570 0.085 0.000 2.329 85 I HA 0.131 4.307 4.170 0.010 0.000 0.295 85 I C -0.397 175.900 176.117 0.300 0.000 1.109 85 I CA 0.325 61.746 61.300 0.201 0.000 1.297 85 I CB 0.222 38.310 38.000 0.147 0.000 1.433 85 I HN 0.528 nan 8.210 nan 0.000 0.509 86 Q N 6.100 126.095 119.800 0.324 0.000 2.321 86 Q HA 0.202 4.548 4.340 0.010 0.000 0.270 86 Q C -0.339 175.738 176.000 0.129 0.000 1.032 86 Q CA -0.768 55.187 55.803 0.254 0.000 0.784 86 Q CB 1.929 30.763 28.738 0.161 0.000 1.264 86 Q HN 0.460 nan 8.270 nan 0.000 0.448 87 E N 4.505 124.762 120.200 0.094 0.000 2.502 87 E HA -0.031 4.325 4.350 0.010 0.000 0.261 87 E C -1.931 174.700 176.600 0.052 0.000 0.974 87 E CA -1.082 55.350 56.400 0.052 0.000 0.936 87 E CB 1.118 30.843 29.700 0.041 0.000 0.926 87 E HN 0.505 nan 8.360 nan 0.000 0.459 88 P HA -0.190 nan 4.420 nan 0.000 0.215 88 P C 1.441 178.955 177.300 0.355 0.000 1.157 88 P CA 2.291 65.469 63.100 0.131 0.000 0.874 88 P CB 0.026 31.854 31.700 0.213 0.000 0.790 89 S N -0.609 115.244 115.700 0.254 0.000 2.402 89 S HA -0.102 4.374 4.470 0.010 0.000 0.229 89 S C 2.071 176.462 174.600 -0.347 0.000 1.021 89 S CA 1.141 59.349 58.200 0.014 0.000 0.974 89 S CB -1.418 61.740 63.200 -0.070 0.000 0.800 89 S HN 0.108 nan 8.310 nan 0.000 0.484 90 A N 1.476 124.042 122.820 -0.424 0.000 2.067 90 A HA -0.038 4.287 4.320 0.010 0.000 0.219 90 A C 2.261 179.706 177.584 -0.233 0.000 1.158 90 A CA 1.160 52.800 52.037 -0.660 0.000 0.661 90 A CB -0.685 18.147 19.000 -0.280 0.000 0.801 90 A HN 0.691 nan 8.150 nan 0.000 0.452 91 Q N -0.629 119.169 119.800 -0.003 0.000 2.364 91 Q HA -0.070 4.276 4.340 0.010 0.000 0.209 91 Q C 2.208 178.370 176.000 0.270 0.000 0.977 91 Q CA 0.912 56.796 55.803 0.135 0.000 0.885 91 Q CB -0.345 28.443 28.738 0.084 0.000 0.941 91 Q HN 0.714 nan 8.270 nan 0.000 0.464 92 A N 0.382 123.322 122.820 0.199 0.000 2.015 92 A HA -0.102 4.224 4.320 0.010 0.000 0.219 92 A C 2.256 179.861 177.584 0.035 0.000 1.163 92 A CA 0.902 53.043 52.037 0.173 0.000 0.646 92 A CB -0.347 18.595 19.000 -0.097 0.000 0.806 92 A HN 0.192 nan 8.150 nan 0.000 0.448 93 V N -0.194 119.685 119.914 -0.058 0.000 2.270 93 V HA -0.169 3.957 4.120 0.010 0.000 0.245 93 V C 2.833 178.857 176.094 -0.116 0.000 1.043 93 V CA 2.019 64.267 62.300 -0.087 0.000 1.014 93 V CB -1.433 30.335 31.823 -0.092 0.000 0.645 93 V HN 0.573 nan 8.190 nan 0.000 0.447 94 G N -0.292 108.388 108.800 -0.200 0.000 2.432 94 G HA2 -0.178 3.788 3.960 0.010 0.000 0.219 94 G HA3 -0.178 3.788 3.960 0.010 0.000 0.219 94 G C 1.645 176.271 174.900 -0.456 0.000 1.135 94 G CA 1.166 45.951 45.100 -0.525 0.000 0.767 94 G HN 0.379 nan 8.290 nan 0.000 0.550 95 V N 0.689 120.442 119.914 -0.269 0.000 2.343 95 V HA -0.135 3.991 4.120 0.010 0.000 0.247 95 V C 2.656 178.726 176.094 -0.039 0.000 1.051 95 V CA 1.602 63.855 62.300 -0.078 0.000 1.036 95 V CB -0.481 31.398 31.823 0.092 0.000 0.654 95 V HN 0.357 nan 8.190 nan 0.000 0.451 96 L N -0.287 120.923 121.223 -0.021 0.000 2.046 96 L HA -0.117 4.229 4.340 0.010 0.000 0.208 96 L C 2.189 179.044 176.870 -0.025 0.000 1.077 96 L CA 1.821 56.655 54.840 -0.010 0.000 0.747 96 L CB -0.663 41.388 42.059 -0.014 0.000 0.896 96 L HN 0.279 nan 8.230 nan 0.000 0.432 97 L N 0.155 121.347 121.223 -0.050 0.000 2.083 97 L HA -0.153 4.193 4.340 0.010 0.000 0.209 97 L C 0.716 177.574 176.870 -0.020 0.000 1.083 97 L CA 1.817 56.639 54.840 -0.028 0.000 0.752 97 L CB -0.543 41.488 42.059 -0.048 0.000 0.899 97 L HN 0.593 nan 8.230 nan 0.000 0.433 98 D N -1.040 119.329 120.400 -0.052 0.000 2.699 98 D HA -0.129 4.517 4.640 0.010 0.000 0.239 98 D C -2.157 174.135 176.300 -0.014 0.000 1.136 98 D CA 0.616 54.597 54.000 -0.032 0.000 0.668 98 D CB -0.649 40.147 40.800 -0.007 0.000 1.060 98 D HN 0.307 nan 8.370 nan 0.000 0.429 99 P HA 0.136 nan 4.420 nan 0.000 0.271 99 P C -0.267 177.031 177.300 -0.003 0.000 1.218 99 P CA -0.029 63.073 63.100 0.002 0.000 0.780 99 P CB 0.784 32.486 31.700 0.005 0.000 0.901 100 K N 2.222 122.614 120.400 -0.013 0.000 2.267 100 K HA 0.506 4.832 4.320 0.010 0.000 0.246 100 K C -2.565 174.016 176.600 -0.031 0.000 0.954 100 K CA -2.726 53.547 56.287 -0.024 0.000 0.824 100 K CB 0.369 32.843 32.500 -0.043 0.000 1.167 100 K HN 0.223 nan 8.250 nan 0.000 0.431 101 P HA -0.010 nan 4.420 nan 0.000 0.262 101 P C 0.707 177.977 177.300 -0.050 0.000 1.182 101 P CA 1.092 64.182 63.100 -0.016 0.000 0.761 101 P CB 0.320 32.018 31.700 -0.004 0.000 0.795 102 G N 1.702 110.474 108.800 -0.048 0.000 2.217 102 G HA2 -0.227 3.739 3.960 0.010 0.000 0.246 102 G HA3 -0.227 3.739 3.960 0.010 0.000 0.246 102 G C 0.218 175.035 174.900 -0.138 0.000 0.990 102 G CA -0.247 44.806 45.100 -0.078 0.000 0.627 102 G HN 0.535 nan 8.290 nan 0.000 0.522 103 E N 0.258 120.356 120.200 -0.170 0.000 2.369 103 E HA 0.507 4.863 4.350 0.010 0.000 0.255 103 E C 0.471 177.084 176.600 0.021 0.000 1.172 103 E CA -0.450 55.790 56.400 -0.267 0.000 0.932 103 E CB 0.471 30.017 29.700 -0.256 0.000 1.040 103 E HN 0.310 nan 8.360 nan 0.000 0.454 104 R N 0.724 121.401 120.500 0.295 0.000 2.295 104 R HA 0.410 4.756 4.340 0.010 0.000 0.324 104 R C -1.117 175.475 176.300 0.486 0.000 0.968 104 R CA -0.475 55.780 56.100 0.258 0.000 0.837 104 R CB 1.180 31.415 30.300 -0.109 0.000 1.133 104 R HN 0.166 nan 8.270 nan 0.000 0.450 105 V N 4.483 124.666 119.914 0.448 0.000 2.709 105 V HA 0.408 4.534 4.120 0.010 0.000 0.308 105 V C -1.075 175.079 176.094 0.099 0.000 1.062 105 V CA -0.964 61.507 62.300 0.285 0.000 0.901 105 V CB 2.199 34.108 31.823 0.143 0.000 1.003 105 V HN 0.497 nan 8.190 nan 0.000 0.425 106 L N 3.419 124.534 121.223 -0.181 0.000 2.356 106 L HA 0.726 5.072 4.340 0.010 0.000 0.277 106 L C -0.938 175.817 176.870 -0.192 0.000 0.996 106 L CA 0.003 54.607 54.840 -0.393 0.000 0.822 106 L CB 1.771 43.236 42.059 -0.989 0.000 1.256 106 L HN 0.695 nan 8.230 nan 0.000 0.413 107 D N 4.395 124.718 120.400 -0.128 0.000 2.427 107 D HA 0.242 4.888 4.640 0.010 0.000 0.226 107 D C 0.763 177.011 176.300 -0.088 0.000 1.076 107 D CA -0.073 53.871 54.000 -0.093 0.000 0.849 107 D CB 0.993 41.745 40.800 -0.079 0.000 1.052 107 D HN 0.683 nan 8.370 nan 0.000 0.515 108 L N 2.214 123.386 121.223 -0.084 0.000 2.240 108 L HA 0.145 4.491 4.340 0.010 0.000 0.211 108 L C 0.959 177.796 176.870 -0.055 0.000 1.106 108 L CA 0.538 55.335 54.840 -0.071 0.000 0.793 108 L CB 0.084 42.102 42.059 -0.067 0.000 0.927 108 L HN 0.431 nan 8.230 nan 0.000 0.446 109 A N -1.125 121.662 122.820 -0.056 0.000 2.943 109 A HA 0.644 4.970 4.320 0.010 0.000 0.327 109 A C 0.535 178.086 177.584 -0.056 0.000 1.141 109 A CA 0.039 52.045 52.037 -0.051 0.000 0.773 109 A CB 0.679 19.650 19.000 -0.050 0.000 1.143 109 A HN 0.143 nan 8.150 nan 0.000 0.463 110 A N 0.952 123.741 122.820 -0.053 0.000 1.997 110 A HA 0.616 4.942 4.320 0.010 0.000 0.212 110 A C 1.435 178.986 177.584 -0.056 0.000 1.178 110 A CA 1.013 53.013 52.037 -0.062 0.000 0.698 110 A CB -0.222 18.743 19.000 -0.058 0.000 0.842 110 A HN 1.635 nan 8.150 nan 0.000 0.458 111 A N 0.878 123.675 122.820 -0.038 0.000 2.407 111 A HA 0.492 4.818 4.320 0.010 0.000 0.248 111 A C -1.033 176.544 177.584 -0.011 0.000 1.082 111 A CA -0.718 51.307 52.037 -0.021 0.000 0.785 111 A CB 0.027 19.018 19.000 -0.014 0.000 1.020 111 A HN 0.269 nan 8.150 nan 0.000 0.489 112 P HA 0.173 nan 4.420 nan 0.000 0.255 112 P C 0.660 177.993 177.300 0.056 0.000 1.248 112 P CA 1.057 64.189 63.100 0.052 0.000 0.807 112 P CB 0.558 32.318 31.700 0.099 0.000 1.150 113 G N -0.791 107.992 108.800 -0.030 0.000 2.151 113 G HA2 -0.140 3.826 3.960 0.010 0.000 0.140 113 G HA3 -0.140 3.826 3.960 0.010 0.000 0.140 113 G C 1.009 175.614 174.900 -0.492 0.000 1.020 113 G CA -0.152 44.852 45.100 -0.160 0.000 0.688 113 G HN 0.416 nan 8.290 nan 0.000 0.500 114 G N 1.008 109.476 108.800 -0.553 0.000 2.446 114 G HA2 -0.113 3.853 3.960 0.010 0.000 0.217 114 G HA3 -0.113 3.853 3.960 0.010 0.000 0.217 114 G C 1.744 176.259 174.900 -0.642 0.000 1.168 114 G CA 1.685 46.175 45.100 -1.018 0.000 0.771 114 G HN 0.477 nan 8.290 nan 0.000 0.551 115 K N 0.433 120.632 120.400 -0.334 0.000 2.167 115 K HA 0.025 4.351 4.320 0.010 0.000 0.203 115 K C 2.591 179.063 176.600 -0.213 0.000 1.052 115 K CA 1.120 57.288 56.287 -0.199 0.000 0.956 115 K CB -1.173 31.250 32.500 -0.128 0.000 0.735 115 K HN 0.245 nan 8.250 nan 0.000 0.451 116 T N 1.795 116.197 114.554 -0.252 0.000 2.684 116 T HA -0.151 4.204 4.350 0.010 0.000 0.267 116 T C 2.074 176.594 174.700 -0.299 0.000 1.036 116 T CA 2.461 64.431 62.100 -0.216 0.000 1.148 116 T CB -0.533 68.223 68.868 -0.187 0.000 0.863 116 T HN 0.545 nan 8.240 nan 0.000 0.436 117 T N -0.314 113.896 114.554 -0.572 0.000 2.867 117 T HA -0.128 4.228 4.350 0.010 0.000 0.268 117 T C 1.739 176.122 174.700 -0.529 0.000 1.057 117 T CA 1.441 62.933 62.100 -1.013 0.000 1.136 117 T CB -0.679 67.027 68.868 -1.935 0.000 0.874 117 T HN 0.622 nan 8.240 nan 0.000 0.466 118 H N 0.289 119.091 119.070 -0.445 0.000 2.321 118 H HA 0.002 4.563 4.556 0.010 0.000 0.300 118 H C 1.970 177.265 175.328 -0.056 0.000 1.087 118 H CA 0.885 56.830 56.048 -0.173 0.000 1.319 118 H CB -0.028 29.627 29.762 -0.180 0.000 1.379 118 H HN 0.155 nan 8.280 nan 0.000 0.501 119 L N 0.739 121.971 121.223 0.014 0.000 2.012 119 L HA -0.150 4.196 4.340 0.010 0.000 0.210 119 L C 2.832 179.741 176.870 0.064 0.000 1.073 119 L CA 1.773 56.607 54.840 -0.009 0.000 0.748 119 L CB -1.243 40.793 42.059 -0.039 0.000 0.891 119 L HN 0.380 nan 8.230 nan 0.000 0.431 120 A N -0.753 122.117 122.820 0.083 0.000 1.908 120 A HA -0.170 4.156 4.320 0.010 0.000 0.218 120 A C 2.494 180.232 177.584 0.256 0.000 1.181 120 A CA 1.967 54.107 52.037 0.172 0.000 0.627 120 A CB -0.925 18.209 19.000 0.223 0.000 0.818 120 A HN 0.402 nan 8.150 nan 0.000 0.445 121 A N -0.713 122.339 122.820 0.387 0.000 1.898 121 A HA -0.134 4.192 4.320 0.010 0.000 0.216 121 A C 2.180 179.883 177.584 0.197 0.000 1.181 121 A CA 1.452 53.691 52.037 0.338 0.000 0.620 121 A CB -0.439 18.836 19.000 0.457 0.000 0.819 121 A HN 0.355 nan 8.150 nan 0.000 0.442 122 R N -0.627 119.980 120.500 0.178 0.000 2.120 122 R HA 0.004 4.350 4.340 0.010 0.000 0.234 122 R C 1.785 178.127 176.300 0.069 0.000 1.123 122 R CA 1.378 57.540 56.100 0.104 0.000 0.975 122 R CB -0.672 29.656 30.300 0.047 0.000 0.866 122 R HN 0.647 nan 8.270 nan 0.000 0.446 123 M N -0.776 118.868 119.600 0.074 0.000 2.618 123 M HA 0.114 4.600 4.480 0.010 0.000 0.240 123 M C 0.877 177.210 176.300 0.055 0.000 1.123 123 M CA 0.741 56.072 55.300 0.053 0.000 1.060 123 M CB 0.294 32.926 32.600 0.054 0.000 1.535 123 M HN 0.304 nan 8.290 nan 0.000 0.507 124 G N 0.748 109.591 108.800 0.071 0.000 2.187 124 G HA2 -0.264 3.702 3.960 0.010 0.000 0.261 124 G HA3 -0.264 3.702 3.960 0.010 0.000 0.261 124 G C 0.838 175.774 174.900 0.060 0.000 1.000 124 G CA 0.338 45.474 45.100 0.059 0.000 0.718 124 G HN 0.788 nan 8.290 nan 0.000 0.519 125 G N -1.466 107.382 108.800 0.080 0.000 2.166 125 G HA2 -0.303 3.662 3.960 0.010 0.000 0.260 125 G HA3 -0.303 3.662 3.960 0.010 0.000 0.260 125 G C 0.299 175.237 174.900 0.062 0.000 0.986 125 G CA 1.383 46.532 45.100 0.081 0.000 0.683 125 G HN 1.033 nan 8.290 nan 0.000 0.527 126 K N -0.087 120.341 120.400 0.048 0.000 2.156 126 K HA 0.647 4.973 4.320 0.010 0.000 0.254 126 K C 0.838 177.453 176.600 0.024 0.000 0.950 126 K CA -0.027 56.279 56.287 0.032 0.000 0.849 126 K CB 1.811 34.322 32.500 0.019 0.000 1.100 126 K HN 1.274 nan 8.250 nan 0.000 0.434 127 G N 0.994 109.804 108.800 0.016 0.000 2.545 127 G HA2 -0.194 3.772 3.960 0.010 0.000 0.216 127 G HA3 -0.194 3.772 3.960 0.010 0.000 0.216 127 G C -1.774 173.148 174.900 0.037 0.000 1.314 127 G CA -0.657 44.448 45.100 0.008 0.000 0.906 127 G HN 0.476 nan 8.290 nan 0.000 0.563 128 L N -0.204 121.050 121.223 0.052 0.000 2.305 128 L HA 0.885 5.231 4.340 0.010 0.000 0.284 128 L C -0.580 176.374 176.870 0.140 0.000 1.013 128 L CA -0.935 53.960 54.840 0.091 0.000 0.819 128 L CB 1.393 43.503 42.059 0.086 0.000 1.227 128 L HN 1.106 nan 8.230 nan 0.000 0.417 129 L N 6.124 127.420 121.223 0.123 0.000 2.325 129 L HA 0.624 4.970 4.340 0.010 0.000 0.281 129 L C -1.641 175.294 176.870 0.108 0.000 1.004 129 L CA -0.280 54.629 54.840 0.115 0.000 0.823 129 L CB 1.597 43.704 42.059 0.079 0.000 1.236 129 L HN 0.724 nan 8.230 nan 0.000 0.415 130 L N 5.110 126.396 121.223 0.105 0.000 2.325 130 L HA 0.893 5.239 4.340 0.010 0.000 0.281 130 L C -0.617 176.260 176.870 0.013 0.000 1.004 130 L CA -0.326 54.561 54.840 0.079 0.000 0.823 130 L CB 1.568 43.712 42.059 0.141 0.000 1.236 130 L HN 0.828 nan 8.230 nan 0.000 0.415 131 A N 4.015 126.842 122.820 0.013 0.000 2.273 131 A HA 0.538 4.864 4.320 0.010 0.000 0.315 131 A C -0.917 176.663 177.584 -0.007 0.000 1.256 131 A CA -0.592 51.436 52.037 -0.016 0.000 0.851 131 A CB 0.704 19.690 19.000 -0.023 0.000 1.172 131 A HN 0.744 nan 8.150 nan 0.000 0.508 132 N N 1.313 120.002 118.700 -0.019 0.000 2.399 132 N HA 0.521 5.267 4.740 0.010 0.000 0.295 132 N C -1.028 174.467 175.510 -0.026 0.000 1.048 132 N CA -0.175 52.868 53.050 -0.012 0.000 0.886 132 N CB 1.486 39.968 38.487 -0.009 0.000 1.185 132 N HN 0.537 nan 8.380 nan 0.000 0.487 133 E N 2.907 123.093 120.200 -0.024 0.000 2.283 133 E HA 0.205 4.561 4.350 0.010 0.000 0.258 133 E C -0.448 176.135 176.600 -0.029 0.000 0.893 133 E CA -0.660 55.723 56.400 -0.029 0.000 0.798 133 E CB 1.130 30.813 29.700 -0.028 0.000 1.242 133 E HN 0.295 nan 8.360 nan 0.000 0.414 134 V N 3.394 123.289 119.914 -0.032 0.000 2.515 134 V HA -0.039 4.086 4.120 0.010 0.000 0.250 134 V C 0.164 176.240 176.094 -0.031 0.000 1.058 134 V CA 1.790 64.071 62.300 -0.032 0.000 1.064 134 V CB -0.002 31.800 31.823 -0.034 0.000 0.675 134 V HN 0.690 nan 8.190 nan 0.000 0.461 135 D N -0.321 120.060 120.400 -0.031 0.000 2.380 135 D HA 0.289 4.935 4.640 0.010 0.000 0.230 135 D C 1.265 177.548 176.300 -0.029 0.000 1.154 135 D CA 0.565 54.547 54.000 -0.030 0.000 0.859 135 D CB 1.196 41.978 40.800 -0.030 0.000 1.045 135 D HN 0.220 nan 8.370 nan 0.000 0.495 136 G N 3.762 112.545 108.800 -0.029 0.000 2.462 136 G HA2 -0.275 3.691 3.960 0.010 0.000 0.220 136 G HA3 -0.275 3.691 3.960 0.010 0.000 0.220 136 G C 1.330 176.213 174.900 -0.029 0.000 1.121 136 G CA 0.504 45.586 45.100 -0.030 0.000 0.758 136 G HN 0.499 nan 8.290 nan 0.000 0.559 137 K N -0.158 120.227 120.400 -0.026 0.000 2.362 137 K HA 0.035 4.361 4.320 0.010 0.000 0.200 137 K C 2.243 178.831 176.600 -0.020 0.000 1.046 137 K CA 0.491 56.764 56.287 -0.023 0.000 0.952 137 K CB 0.018 32.505 32.500 -0.022 0.000 0.753 137 K HN 0.229 nan 8.250 nan 0.000 0.466 138 R N -0.102 120.386 120.500 -0.021 0.000 2.362 138 R HA 0.097 4.443 4.340 0.010 0.000 0.227 138 R C 1.764 178.055 176.300 -0.014 0.000 0.905 138 R CA -0.072 56.019 56.100 -0.015 0.000 1.067 138 R CB 0.376 30.666 30.300 -0.018 0.000 1.078 138 R HN -0.071 nan 8.270 nan 0.000 0.516 139 V N 1.390 121.291 119.914 -0.022 0.000 2.358 139 V HA -0.241 3.885 4.120 0.010 0.000 0.246 139 V C 2.506 178.586 176.094 -0.023 0.000 1.047 139 V CA 1.772 64.057 62.300 -0.026 0.000 1.035 139 V CB -0.473 31.328 31.823 -0.037 0.000 0.658 139 V HN 0.299 nan 8.190 nan 0.000 0.452 140 R N 0.473 120.959 120.500 -0.024 0.000 2.091 140 R HA -0.160 4.186 4.340 0.010 0.000 0.238 140 R C 2.307 178.610 176.300 0.006 0.000 1.136 140 R CA 2.010 58.098 56.100 -0.019 0.000 0.959 140 R CB -0.794 29.494 30.300 -0.020 0.000 0.856 140 R HN 0.510 nan 8.270 nan 0.000 0.437 141 G N 1.325 110.134 108.800 0.015 0.000 2.422 141 G HA2 -0.264 3.701 3.960 0.010 0.000 0.218 141 G HA3 -0.264 3.701 3.960 0.010 0.000 0.218 141 G C 1.324 176.251 174.900 0.045 0.000 1.146 141 G CA 0.702 45.824 45.100 0.037 0.000 0.769 141 G HN 0.331 nan 8.290 nan 0.000 0.547 142 L N 0.597 121.835 121.223 0.026 0.000 2.017 142 L HA 0.069 4.415 4.340 0.010 0.000 0.208 142 L C 2.703 179.589 176.870 0.026 0.000 1.073 142 L CA 1.434 56.286 54.840 0.021 0.000 0.745 142 L CB -0.551 41.507 42.059 -0.001 0.000 0.894 142 L HN 0.211 nan 8.230 nan 0.000 0.432 143 L N -0.699 120.534 121.223 0.017 0.000 2.083 143 L HA -0.223 4.123 4.340 0.010 0.000 0.209 143 L C 2.518 179.417 176.870 0.048 0.000 1.083 143 L CA 1.531 56.386 54.840 0.023 0.000 0.752 143 L CB -0.672 41.383 42.059 -0.007 0.000 0.899 143 L HN 0.383 nan 8.230 nan 0.000 0.433 144 E N -0.070 120.162 120.200 0.053 0.000 2.110 144 E HA -0.188 4.168 4.350 0.010 0.000 0.193 144 E C 1.917 178.564 176.600 0.079 0.000 0.988 144 E CA 0.970 57.416 56.400 0.076 0.000 0.804 144 E CB -0.055 29.700 29.700 0.092 0.000 0.745 144 E HN 0.478 nan 8.360 nan 0.000 0.458 145 N N 0.364 119.110 118.700 0.075 0.000 2.171 145 N HA -0.097 4.649 4.740 0.010 0.000 0.184 145 N C 1.966 177.535 175.510 0.098 0.000 1.021 145 N CA 0.705 53.803 53.050 0.079 0.000 0.854 145 N CB -0.172 38.396 38.487 0.135 0.000 0.994 145 N HN 0.000 nan 8.380 nan 0.000 0.426 146 V N 1.789 121.751 119.914 0.079 0.000 2.392 146 V HA -0.208 3.918 4.120 0.010 0.000 0.249 146 V C 2.399 178.578 176.094 0.142 0.000 1.059 146 V CA 1.614 63.976 62.300 0.103 0.000 1.051 146 V CB -0.472 31.396 31.823 0.074 0.000 0.658 146 V HN 0.391 nan 8.190 nan 0.000 0.455 147 E N 0.136 120.405 120.200 0.115 0.000 2.077 147 E HA -0.239 4.117 4.350 0.010 0.000 0.193 147 E C 2.414 179.069 176.600 0.092 0.000 0.989 147 E CA 1.273 57.739 56.400 0.110 0.000 0.800 147 E CB -0.049 29.714 29.700 0.105 0.000 0.746 147 E HN 0.518 nan 8.360 nan 0.000 0.452 148 R N -0.493 120.061 120.500 0.091 0.000 2.189 148 R HA -0.066 4.280 4.340 0.010 0.000 0.218 148 R C 2.082 178.427 176.300 0.075 0.000 1.074 148 R CA 0.861 56.987 56.100 0.044 0.000 0.991 148 R CB -0.202 30.069 30.300 -0.048 0.000 0.883 148 R HN 0.467 nan 8.270 nan 0.000 0.457 149 W N 0.540 121.796 121.300 -0.074 0.000 2.518 149 W HA -0.035 4.632 4.660 0.011 0.000 0.273 149 W C 0.633 177.119 176.519 -0.054 0.000 1.247 149 W CA 1.386 58.692 57.345 -0.066 0.000 1.288 149 W CB 0.417 29.860 29.460 -0.027 0.000 1.107 149 W HN 0.331 nan 8.180 nan 0.000 0.586 150 G N 0.685 109.514 108.800 0.049 0.000 2.132 150 G HA2 -0.140 3.826 3.960 0.010 0.000 0.234 150 G HA3 -0.140 3.826 3.960 0.010 0.000 0.234 150 G C -0.186 174.712 174.900 -0.002 0.000 0.989 150 G CA 0.073 45.141 45.100 -0.053 0.000 0.676 150 G HN 0.562 nan 8.290 nan 0.000 0.522 151 A N 0.541 123.431 122.820 0.115 0.000 2.342 151 A HA 0.890 5.216 4.320 0.010 0.000 0.323 151 A C -2.058 175.601 177.584 0.126 0.000 1.125 151 A CA -1.488 50.630 52.037 0.134 0.000 0.785 151 A CB 1.776 20.922 19.000 0.243 0.000 1.221 151 A HN 0.217 nan 8.150 nan 0.000 0.463 152 P HA 0.493 nan 4.420 nan 0.000 0.276 152 P C -1.116 176.248 177.300 0.108 0.000 1.235 152 P CA 0.113 63.278 63.100 0.108 0.000 0.772 152 P CB 0.719 32.476 31.700 0.096 0.000 0.871 153 L N -0.038 121.250 121.223 0.110 0.000 2.838 153 L HA 0.909 5.255 4.340 0.010 0.000 0.266 153 L C -1.487 175.436 176.870 0.087 0.000 1.040 153 L CA -1.393 53.503 54.840 0.093 0.000 0.906 153 L CB 0.917 43.025 42.059 0.082 0.000 1.501 153 L HN 0.338 nan 8.230 nan 0.000 0.407 154 A N 0.604 123.466 122.820 0.071 0.000 2.337 154 A HA 0.889 5.215 4.320 0.010 0.000 0.329 154 A C -0.901 176.706 177.584 0.039 0.000 1.146 154 A CA -0.739 51.328 52.037 0.050 0.000 0.800 154 A CB 1.644 20.674 19.000 0.050 0.000 1.220 154 A HN 0.734 nan 8.150 nan 0.000 0.472 155 V N 2.607 122.530 119.914 0.014 0.000 2.409 155 V HA 0.586 4.712 4.120 0.010 0.000 0.291 155 V C 0.443 176.536 176.094 -0.002 0.000 1.020 155 V CA -0.091 62.212 62.300 0.006 0.000 0.848 155 V CB 1.412 33.232 31.823 -0.005 0.000 0.990 155 V HN 1.116 nan 8.190 nan 0.000 0.430 156 T N 1.753 116.318 114.554 0.018 0.000 2.950 156 T HA 0.640 4.996 4.350 0.010 0.000 0.288 156 T C -0.532 174.167 174.700 -0.002 0.000 1.035 156 T CA -0.749 61.363 62.100 0.020 0.000 1.028 156 T CB 2.186 71.096 68.868 0.070 0.000 1.109 156 T HN 0.589 nan 8.240 nan 0.000 0.514 157 Q N 0.574 120.367 119.800 -0.012 0.000 2.932 157 Q HA 0.585 4.931 4.340 0.010 0.000 0.248 157 Q C -1.489 174.494 176.000 -0.027 0.000 0.982 157 Q CA -0.693 55.096 55.803 -0.023 0.000 0.730 157 Q CB 0.368 29.088 28.738 -0.029 0.000 1.249 157 Q HN 1.043 nan 8.270 nan 0.000 0.476 158 A N 3.161 125.962 122.820 -0.030 0.000 2.594 158 A HA 0.784 5.110 4.320 0.010 0.000 0.295 158 A C -2.925 174.631 177.584 -0.046 0.000 1.071 158 A CA -1.473 50.538 52.037 -0.043 0.000 0.685 158 A CB 1.456 20.422 19.000 -0.058 0.000 1.285 158 A HN 0.457 nan 8.150 nan 0.000 0.405 159 P HA 0.226 nan 4.420 nan 0.000 0.268 159 P C -2.020 175.245 177.300 -0.057 0.000 1.204 159 P CA -0.833 62.238 63.100 -0.048 0.000 0.768 159 P CB 0.304 31.976 31.700 -0.046 0.000 0.842 160 P HA -0.180 nan 4.420 nan 0.000 0.216 160 P C 1.567 178.834 177.300 -0.054 0.000 1.150 160 P CA 1.432 64.502 63.100 -0.049 0.000 0.843 160 P CB -0.038 31.637 31.700 -0.042 0.000 0.787 161 R N -0.124 120.347 120.500 -0.048 0.000 2.105 161 R HA -0.144 4.202 4.340 0.010 0.000 0.239 161 R C 2.024 178.280 176.300 -0.074 0.000 1.135 161 R CA 1.732 57.805 56.100 -0.045 0.000 0.967 161 R CB -0.780 29.499 30.300 -0.035 0.000 0.861 161 R HN 0.084 nan 8.270 nan 0.000 0.442 162 A N 0.921 123.684 122.820 -0.094 0.000 1.930 162 A HA -0.084 4.242 4.320 0.010 0.000 0.217 162 A C 2.166 179.604 177.584 -0.243 0.000 1.175 162 A CA 1.026 52.981 52.037 -0.136 0.000 0.627 162 A CB -0.381 18.548 19.000 -0.118 0.000 0.815 162 A HN 0.333 nan 8.150 nan 0.000 0.443 163 L N -0.884 120.184 121.223 -0.258 0.000 2.056 163 L HA -0.161 4.185 4.340 0.010 0.000 0.207 163 L C 3.105 179.781 176.870 -0.323 0.000 1.078 163 L CA 1.025 55.589 54.840 -0.460 0.000 0.749 163 L CB -0.705 41.238 42.059 -0.193 0.000 0.901 163 L HN 0.424 nan 8.230 nan 0.000 0.433 164 A N -0.144 122.614 122.820 -0.102 0.000 1.908 164 A HA -0.200 4.126 4.320 0.010 0.000 0.218 164 A C 2.222 179.792 177.584 -0.023 0.000 1.181 164 A CA 1.519 53.559 52.037 0.004 0.000 0.627 164 A CB -0.362 18.651 19.000 0.022 0.000 0.818 164 A HN 0.345 nan 8.150 nan 0.000 0.445 165 E N -0.149 120.003 120.200 -0.080 0.000 2.077 165 E HA -0.129 4.227 4.350 0.010 0.000 0.193 165 E C 2.302 178.848 176.600 -0.089 0.000 0.989 165 E CA 1.326 57.686 56.400 -0.067 0.000 0.800 165 E CB -0.544 29.112 29.700 -0.074 0.000 0.746 165 E HN 0.594 nan 8.360 nan 0.000 0.452 166 A N 0.058 122.746 122.820 -0.221 0.000 1.930 166 A HA -0.054 4.272 4.320 0.010 0.000 0.215 166 A C 1.701 179.276 177.584 -0.015 0.000 1.176 166 A CA 0.933 52.828 52.037 -0.237 0.000 0.632 166 A CB -0.252 18.427 19.000 -0.534 0.000 0.819 166 A HN 0.130 nan 8.150 nan 0.000 0.445 167 F N -1.058 118.904 119.950 0.020 0.000 2.559 167 F HA 0.404 4.937 4.527 0.010 0.000 0.286 167 F C 1.835 177.661 175.800 0.044 0.000 1.108 167 F CA -0.030 57.961 58.000 -0.015 0.000 1.436 167 F CB -1.106 37.978 39.000 0.140 0.000 1.130 167 F HN 0.414 nan 8.300 nan 0.000 0.584 168 G N 0.704 109.663 108.800 0.264 0.000 2.575 168 G HA2 -0.300 3.666 3.960 0.010 0.000 0.267 168 G HA3 -0.300 3.666 3.960 0.010 0.000 0.267 168 G C 0.329 175.410 174.900 0.302 0.000 1.264 168 G CA 0.105 45.337 45.100 0.220 0.000 0.935 168 G HN 0.520 nan 8.290 nan 0.000 0.568 169 T N -2.482 112.209 114.554 0.229 0.000 4.219 169 T HA 0.414 4.770 4.350 0.010 0.000 0.263 169 T C 0.594 175.462 174.700 0.281 0.000 1.217 169 T CA 0.771 62.990 62.100 0.198 0.000 1.145 169 T CB 0.295 69.190 68.868 0.045 0.000 1.298 169 T HN 0.849 nan 8.240 nan 0.000 0.999 170 Y N 1.415 121.835 120.300 0.199 0.000 2.498 170 Y HA 0.484 5.040 4.550 0.010 0.000 0.259 170 Y C -0.192 175.679 175.900 -0.049 0.000 1.086 170 Y CA -1.648 56.474 58.100 0.036 0.000 1.287 170 Y CB 0.544 38.843 38.460 -0.268 0.000 1.146 170 Y HN 0.476 nan 8.280 nan 0.000 0.523 171 F N -0.564 119.546 119.950 0.266 0.000 2.425 171 F HA 0.284 4.817 4.527 0.011 0.000 0.331 171 F C 1.150 177.080 175.800 0.217 0.000 1.085 171 F CA -0.466 57.634 58.000 0.168 0.000 1.028 171 F CB 1.163 40.275 39.000 0.185 0.000 1.177 171 F HN -0.066 nan 8.300 nan 0.000 0.487 172 H N 0.400 119.728 119.070 0.431 0.000 2.395 172 H HA 0.151 4.712 4.556 0.010 0.000 0.299 172 H C -0.021 175.467 175.328 0.267 0.000 1.070 172 H CA 1.191 57.464 56.048 0.375 0.000 1.356 172 H CB 0.235 30.131 29.762 0.224 0.000 1.401 172 H HN 0.296 nan 8.280 nan 0.000 0.524 173 R N 0.149 120.875 120.500 0.377 0.000 2.651 173 R HA 0.551 4.897 4.340 0.010 0.000 0.278 173 R C -1.679 174.724 176.300 0.171 0.000 1.010 173 R CA -0.737 55.505 56.100 0.237 0.000 0.896 173 R CB 3.098 33.500 30.300 0.170 0.000 1.211 173 R HN -0.146 nan 8.270 nan 0.000 0.456 174 V N 3.219 123.200 119.914 0.113 0.000 2.638 174 V HA 0.389 4.515 4.120 0.010 0.000 0.306 174 V C -1.100 175.002 176.094 0.015 0.000 1.052 174 V CA -0.886 61.426 62.300 0.020 0.000 0.885 174 V CB 2.115 33.950 31.823 0.021 0.000 0.999 174 V HN 0.516 nan 8.190 nan 0.000 0.424 175 L N 5.882 127.089 121.223 -0.027 0.000 2.313 175 L HA 0.721 5.066 4.340 0.010 0.000 0.283 175 L C -0.974 175.873 176.870 -0.037 0.000 1.013 175 L CA -0.362 54.463 54.840 -0.025 0.000 0.816 175 L CB 1.469 43.501 42.059 -0.045 0.000 1.236 175 L HN 0.630 nan 8.230 nan 0.000 0.419 176 L N 4.943 126.158 121.223 -0.013 0.000 2.337 176 L HA 0.477 4.823 4.340 0.010 0.000 0.269 176 L C -0.972 175.867 176.870 -0.051 0.000 1.018 176 L CA -0.151 54.683 54.840 -0.009 0.000 0.876 176 L CB 0.778 42.864 42.059 0.046 0.000 1.236 176 L HN 0.668 nan 8.230 nan 0.000 0.436 177 D N 4.208 124.557 120.400 -0.084 0.000 2.441 177 D HA 0.491 5.137 4.640 0.010 0.000 0.221 177 D C -0.119 176.104 176.300 -0.129 0.000 1.156 177 D CA 0.035 53.958 54.000 -0.129 0.000 0.896 177 D CB 1.017 41.764 40.800 -0.088 0.000 1.028 177 D HN 0.653 nan 8.370 nan 0.000 0.509 178 A N 4.637 127.346 122.820 -0.186 0.000 2.340 178 A HA 0.569 4.895 4.320 0.010 0.000 0.268 178 A C -2.115 175.405 177.584 -0.106 0.000 1.100 178 A CA -1.209 50.769 52.037 -0.099 0.000 0.803 178 A CB 0.202 19.200 19.000 -0.003 0.000 1.043 178 A HN 0.528 nan 8.150 nan 0.000 0.488 179 P HA 0.294 nan 4.420 nan 0.000 0.265 179 P C -0.174 177.083 177.300 -0.073 0.000 1.193 179 P CA 0.112 63.170 63.100 -0.070 0.000 0.765 179 P CB 0.167 31.836 31.700 -0.052 0.000 0.823 180 C N 0.087 119.333 119.300 -0.090 0.000 3.316 180 C HA 0.511 4.977 4.460 0.010 0.000 0.360 180 C C 1.808 176.756 174.990 -0.071 0.000 1.560 180 C CA 0.067 59.030 59.018 -0.091 0.000 1.229 180 C CB 1.020 28.671 27.740 -0.147 0.000 1.823 180 C HN 0.546 nan 8.230 nan 0.000 0.440 181 S N -0.065 115.608 115.700 -0.045 0.000 2.555 181 S HA 0.340 4.816 4.470 0.010 0.000 0.230 181 S C 1.523 176.145 174.600 0.036 0.000 0.978 181 S CA 1.301 59.528 58.200 0.046 0.000 0.934 181 S CB -0.963 62.321 63.200 0.140 0.000 0.766 181 S HN 2.926 nan 8.310 nan 0.000 0.533 182 G N 1.506 110.221 108.800 -0.142 0.000 2.249 182 G HA2 -0.302 3.664 3.960 0.010 0.000 0.273 182 G HA3 -0.302 3.664 3.960 0.010 0.000 0.273 182 G C 0.371 174.932 174.900 -0.565 0.000 1.036 182 G CA 0.504 45.446 45.100 -0.263 0.000 0.824 182 G HN 0.620 nan 8.290 nan 0.000 0.504 183 E N -0.531 119.228 120.200 -0.735 0.000 2.204 183 E HA 0.025 4.381 4.350 0.010 0.000 0.195 183 E C 2.556 178.535 176.600 -1.033 0.000 0.990 183 E CA 0.667 56.214 56.400 -1.421 0.000 0.821 183 E CB -0.168 29.139 29.700 -0.656 0.000 0.750 183 E HN 0.547 nan 8.360 nan 0.000 0.477 184 G N 0.338 108.657 108.800 -0.802 0.000 2.776 184 G HA2 -0.150 3.816 3.960 0.010 0.000 0.209 184 G HA3 -0.150 3.816 3.960 0.010 0.000 0.209 184 G C 1.258 176.002 174.900 -0.260 0.000 1.145 184 G CA 0.230 45.020 45.100 -0.517 0.000 0.791 184 G HN 0.086 nan 8.290 nan 0.000 0.530 185 M N -0.378 119.030 119.600 -0.319 0.000 2.382 185 M HA 0.338 4.824 4.480 0.010 0.000 0.247 185 M C 1.401 177.720 176.300 0.032 0.000 1.104 185 M CA -0.336 54.894 55.300 -0.117 0.000 1.030 185 M CB -0.567 31.984 32.600 -0.082 0.000 1.424 185 M HN 0.098 nan 8.290 nan 0.000 0.486 186 F N 1.271 121.175 119.950 -0.077 0.000 2.126 186 F HA -0.107 4.425 4.527 0.010 0.000 0.299 186 F C 2.612 178.377 175.800 -0.058 0.000 1.096 186 F CA 1.231 59.172 58.000 -0.098 0.000 1.255 186 F CB -1.176 37.711 39.000 -0.189 0.000 0.997 186 F HN 0.226 nan 8.300 nan 0.000 0.479 187 R N 0.623 121.216 120.500 0.155 0.000 2.092 187 R HA -0.108 4.238 4.340 0.010 0.000 0.231 187 R C 1.789 178.112 176.300 0.037 0.000 1.119 187 R CA 1.342 57.487 56.100 0.074 0.000 0.970 187 R CB -0.046 30.284 30.300 0.049 0.000 0.864 187 R HN 0.175 nan 8.270 nan 0.000 0.440 188 K N -0.880 119.537 120.400 0.027 0.000 2.367 188 K HA 0.017 4.343 4.320 0.010 0.000 0.194 188 K C -0.438 176.181 176.600 0.032 0.000 1.027 188 K CA 0.138 56.426 56.287 0.002 0.000 1.075 188 K CB 0.561 33.032 32.500 -0.049 0.000 0.845 188 K HN 0.015 nan 8.250 nan 0.000 0.529 189 D N 0.770 121.205 120.400 0.058 0.000 2.402 189 D HA 0.058 4.704 4.640 0.010 0.000 0.252 189 D C 0.607 176.947 176.300 0.067 0.000 1.294 189 D CA -0.456 53.584 54.000 0.066 0.000 0.948 189 D CB 0.887 41.734 40.800 0.078 0.000 1.202 189 D HN 0.046 nan 8.370 nan 0.000 0.561 190 R N 2.357 122.879 120.500 0.037 0.000 2.285 190 R HA 0.001 4.347 4.340 0.010 0.000 0.213 190 R C 0.337 176.634 176.300 -0.005 0.000 1.068 190 R CA 0.904 57.008 56.100 0.006 0.000 1.004 190 R CB 0.134 30.434 30.300 -0.001 0.000 0.873 190 R HN 0.164 nan 8.270 nan 0.000 0.467 191 E N 0.881 121.100 120.200 0.031 0.000 2.442 191 E HA 0.076 4.432 4.350 0.010 0.000 0.195 191 E C 1.741 178.387 176.600 0.078 0.000 1.030 191 E CA 0.768 57.189 56.400 0.034 0.000 0.869 191 E CB 0.419 30.164 29.700 0.074 0.000 0.857 191 E HN 0.501 nan 8.360 nan 0.000 0.505 192 A N 1.532 124.431 122.820 0.132 0.000 1.929 192 A HA 0.024 4.350 4.320 0.010 0.000 0.216 192 A C 2.394 180.109 177.584 0.219 0.000 1.176 192 A CA 1.470 53.663 52.037 0.261 0.000 0.628 192 A CB -0.348 18.846 19.000 0.324 0.000 0.816 192 A HN 0.238 nan 8.150 nan 0.000 0.444 193 A N 0.162 122.924 122.820 -0.097 0.000 1.972 193 A HA -0.181 4.145 4.320 0.010 0.000 0.219 193 A C 2.157 179.666 177.584 -0.124 0.000 1.169 193 A CA 1.478 53.262 52.037 -0.422 0.000 0.635 193 A CB -0.495 18.102 19.000 -0.672 0.000 0.810 193 A HN 0.567 nan 8.150 nan 0.000 0.446 194 R N -0.977 119.431 120.500 -0.152 0.000 2.133 194 R HA -0.174 4.172 4.340 0.010 0.000 0.247 194 R C 1.731 177.915 176.300 -0.193 0.000 1.151 194 R CA 1.684 57.645 56.100 -0.233 0.000 0.971 194 R CB -0.502 29.538 30.300 -0.434 0.000 0.866 194 R HN 0.687 nan 8.270 nan 0.000 0.447 195 H N -2.237 116.899 119.070 0.110 0.000 2.551 195 H HA -0.013 4.544 4.556 0.001 0.000 0.266 195 H C 0.264 175.690 175.328 0.163 0.000 0.964 195 H CA -0.022 56.092 56.048 0.110 0.000 1.180 195 H CB -0.101 29.715 29.762 0.091 0.000 1.408 195 H HN 0.203 nan 8.280 nan 0.000 0.563 196 W N 1.649 123.026 121.300 0.129 0.000 2.184 196 W HA 0.424 5.088 4.660 0.006 0.000 0.338 196 W C 0.198 176.762 176.519 0.075 0.000 1.257 196 W CA 0.349 57.773 57.345 0.132 0.000 1.243 196 W CB 0.961 30.554 29.460 0.222 0.000 1.122 196 W HN 0.057 nan 8.180 nan 0.000 0.585 197 G N 3.687 112.137 108.800 -0.582 0.000 2.692 197 G HA2 0.382 4.348 3.960 0.010 0.000 0.291 197 G HA3 0.382 4.348 3.960 0.010 0.000 0.291 197 G C -2.708 171.411 174.900 -1.301 0.000 1.423 197 G CA -1.092 43.665 45.100 -0.572 0.000 0.843 197 G HN 0.215 nan 8.290 nan 0.000 0.486 198 P HA -0.023 nan 4.420 nan 0.000 0.223 198 P C 1.791 178.876 177.300 -0.359 0.000 1.151 198 P CA 1.593 64.416 63.100 -0.460 0.000 0.787 198 P CB 0.344 32.008 31.700 -0.059 0.000 0.788 199 S N -1.621 113.881 115.700 -0.331 0.000 2.548 199 S HA 0.242 4.718 4.470 0.010 0.000 0.215 199 S C 1.893 176.340 174.600 -0.255 0.000 0.976 199 S CA 0.373 58.440 58.200 -0.223 0.000 0.908 199 S CB -0.820 62.289 63.200 -0.152 0.000 0.781 199 S HN 0.055 nan 8.310 nan 0.000 0.519 200 A N 3.168 125.742 122.820 -0.410 0.000 1.877 200 A HA 0.147 4.473 4.320 0.010 0.000 0.216 200 A C 0.010 177.461 177.584 -0.221 0.000 1.186 200 A CA 1.273 53.103 52.037 -0.344 0.000 0.620 200 A CB -1.740 16.960 19.000 -0.501 0.000 0.822 200 A HN 0.518 nan 8.150 nan 0.000 0.443 201 P HA -0.155 nan 4.420 nan 0.000 0.215 201 P C 1.243 178.495 177.300 -0.080 0.000 1.157 201 P CA 1.524 64.578 63.100 -0.077 0.000 0.868 201 P CB -0.064 31.634 31.700 -0.004 0.000 0.788 202 K N -0.637 119.708 120.400 -0.092 0.000 2.097 202 K HA -0.136 4.190 4.320 0.010 0.000 0.205 202 K C 2.371 178.921 176.600 -0.082 0.000 1.050 202 K CA 1.088 57.327 56.287 -0.080 0.000 0.938 202 K CB -0.267 32.189 32.500 -0.074 0.000 0.718 202 K HN -0.002 nan 8.250 nan 0.000 0.442 203 R N 0.665 121.109 120.500 -0.093 0.000 2.073 203 R HA -0.079 4.267 4.340 0.010 0.000 0.234 203 R C 2.273 178.528 176.300 -0.075 0.000 1.134 203 R CA 1.320 57.369 56.100 -0.084 0.000 0.952 203 R CB 0.006 30.250 30.300 -0.092 0.000 0.850 203 R HN 0.067 nan 8.270 nan 0.000 0.433 204 M N 0.308 119.862 119.600 -0.076 0.000 2.159 204 M HA -0.098 4.388 4.480 0.010 0.000 0.263 204 M C 2.434 178.705 176.300 -0.048 0.000 1.063 204 M CA 1.686 56.951 55.300 -0.058 0.000 1.110 204 M CB -0.980 31.587 32.600 -0.055 0.000 1.374 204 M HN 0.333 nan 8.290 nan 0.000 0.411 205 A N 0.077 122.863 122.820 -0.057 0.000 1.933 205 A HA -0.152 4.174 4.320 0.010 0.000 0.218 205 A C 2.061 179.588 177.584 -0.095 0.000 1.175 205 A CA 1.421 53.420 52.037 -0.063 0.000 0.628 205 A CB -0.463 18.493 19.000 -0.073 0.000 0.814 205 A HN 0.403 nan 8.150 nan 0.000 0.444 206 E N -0.106 120.036 120.200 -0.096 0.000 2.077 206 E HA -0.115 4.241 4.350 0.010 0.000 0.193 206 E C 2.205 178.754 176.600 -0.085 0.000 0.989 206 E CA 1.326 57.662 56.400 -0.108 0.000 0.800 206 E CB -0.656 28.992 29.700 -0.086 0.000 0.746 206 E HN 0.407 nan 8.360 nan 0.000 0.452 207 V N 1.295 121.172 119.914 -0.062 0.000 2.358 207 V HA -0.259 3.867 4.120 0.010 0.000 0.246 207 V C 2.374 178.446 176.094 -0.038 0.000 1.047 207 V CA 1.729 64.001 62.300 -0.046 0.000 1.035 207 V CB -0.513 31.287 31.823 -0.039 0.000 0.658 207 V HN 0.233 nan 8.190 nan 0.000 0.452 208 Q N -0.088 119.696 119.800 -0.026 0.000 2.084 208 Q HA -0.231 4.115 4.340 0.010 0.000 0.202 208 Q C 2.315 178.265 176.000 -0.083 0.000 0.978 208 Q CA 1.679 57.485 55.803 0.004 0.000 0.844 208 Q CB -0.247 28.546 28.738 0.092 0.000 0.898 208 Q HN 0.591 nan 8.270 nan 0.000 0.426 209 K N 0.298 120.629 120.400 -0.114 0.000 2.063 209 K HA -0.153 4.173 4.320 0.010 0.000 0.208 209 K C 2.117 178.696 176.600 -0.035 0.000 1.048 209 K CA 1.293 57.514 56.287 -0.110 0.000 0.928 209 K CB -0.226 32.121 32.500 -0.256 0.000 0.713 209 K HN 0.176 nan 8.250 nan 0.000 0.442 210 A N 1.217 124.014 122.820 -0.040 0.000 1.898 210 A HA -0.105 4.221 4.320 0.010 0.000 0.216 210 A C 2.124 179.694 177.584 -0.023 0.000 1.181 210 A CA 1.173 53.203 52.037 -0.011 0.000 0.620 210 A CB -0.571 18.417 19.000 -0.020 0.000 0.819 210 A HN 0.148 nan 8.150 nan 0.000 0.442 211 L N -1.182 120.016 121.223 -0.041 0.000 2.056 211 L HA -0.147 4.199 4.340 0.010 0.000 0.207 211 L C 2.505 179.317 176.870 -0.096 0.000 1.078 211 L CA 0.891 55.702 54.840 -0.049 0.000 0.749 211 L CB -0.435 41.608 42.059 -0.028 0.000 0.901 211 L HN 0.401 nan 8.230 nan 0.000 0.433 212 L N 0.010 121.135 121.223 -0.164 0.000 2.093 212 L HA -0.107 4.238 4.340 0.010 0.000 0.208 212 L C 2.623 179.309 176.870 -0.306 0.000 1.085 212 L CA 1.867 56.487 54.840 -0.367 0.000 0.755 212 L CB -0.739 40.934 42.059 -0.643 0.000 0.904 212 L HN 0.151 nan 8.230 nan 0.000 0.435 213 A N -1.327 121.448 122.820 -0.075 0.000 1.902 213 A HA -0.217 4.109 4.320 0.010 0.000 0.217 213 A C 2.143 179.733 177.584 0.010 0.000 1.181 213 A CA 1.538 53.602 52.037 0.045 0.000 0.623 213 A CB -0.455 18.649 19.000 0.173 0.000 0.818 213 A HN 0.540 nan 8.150 nan 0.000 0.443 214 Q N -0.505 119.287 119.800 -0.014 0.000 2.079 214 Q HA -0.086 4.260 4.340 0.010 0.000 0.200 214 Q C 2.463 178.451 176.000 -0.021 0.000 0.974 214 Q CA 1.553 57.352 55.803 -0.007 0.000 0.840 214 Q CB -0.863 27.865 28.738 -0.016 0.000 0.898 214 Q HN 0.647 nan 8.270 nan 0.000 0.430 215 A N 1.524 124.298 122.820 -0.077 0.000 1.917 215 A HA -0.228 4.098 4.320 0.010 0.000 0.219 215 A C 2.381 179.935 177.584 -0.050 0.000 1.182 215 A CA 2.397 54.384 52.037 -0.084 0.000 0.633 215 A CB -0.760 18.147 19.000 -0.155 0.000 0.819 215 A HN 0.511 nan 8.150 nan 0.000 0.448 216 S N -0.169 115.455 115.700 -0.125 0.000 2.442 216 S HA -0.161 4.315 4.470 0.010 0.000 0.236 216 S C 1.795 176.501 174.600 0.178 0.000 1.007 216 S CA 1.127 59.298 58.200 -0.048 0.000 0.965 216 S CB -0.476 62.499 63.200 -0.376 0.000 0.773 216 S HN 0.638 nan 8.310 nan 0.000 0.504 217 R N 0.366 120.941 120.500 0.124 0.000 2.280 217 R HA 0.245 4.591 4.340 0.010 0.000 0.207 217 R C 1.348 177.760 176.300 0.187 0.000 1.043 217 R CA 0.781 56.971 56.100 0.150 0.000 1.006 217 R CB -0.393 29.972 30.300 0.109 0.000 0.885 217 R HN 0.422 nan 8.270 nan 0.000 0.467 218 L N 0.322 121.672 121.223 0.212 0.000 2.607 218 L HA 0.192 4.538 4.340 0.010 0.000 0.228 218 L C 0.228 177.327 176.870 0.382 0.000 1.123 218 L CA -0.026 55.013 54.840 0.332 0.000 0.890 218 L CB 0.369 42.598 42.059 0.283 0.000 1.103 218 L HN 0.044 nan 8.230 nan 0.000 0.468 219 L N -0.086 121.295 121.223 0.262 0.000 2.289 219 L HA 0.471 4.817 4.340 0.010 0.000 0.285 219 L C 0.853 177.709 176.870 -0.022 0.000 1.049 219 L CA -0.501 54.453 54.840 0.191 0.000 0.804 219 L CB 1.474 43.668 42.059 0.226 0.000 1.195 219 L HN 0.013 nan 8.230 nan 0.000 0.428 220 G N 3.200 111.847 108.800 -0.255 0.000 2.588 220 G HA2 0.375 4.341 3.960 0.010 0.000 0.281 220 G HA3 0.375 4.341 3.960 0.010 0.000 0.281 220 G C -2.579 171.821 174.900 -0.833 0.000 1.236 220 G CA -1.060 43.494 45.100 -0.911 0.000 0.969 220 G HN 0.371 nan 8.290 nan 0.000 0.504 221 P HA 0.131 nan 4.420 nan 0.000 0.267 221 P C 0.789 177.882 177.300 -0.345 0.000 1.205 221 P CA 1.300 64.068 63.100 -0.554 0.000 0.765 221 P CB 0.895 32.298 31.700 -0.494 0.000 0.828 222 G N 2.074 110.754 108.800 -0.199 0.000 2.162 222 G HA2 -0.194 3.772 3.960 0.010 0.000 0.260 222 G HA3 -0.194 3.772 3.960 0.010 0.000 0.260 222 G C 0.580 175.477 174.900 -0.006 0.000 0.976 222 G CA -0.076 44.985 45.100 -0.065 0.000 0.655 222 G HN 0.896 nan 8.290 nan 0.000 0.533 223 G N -1.054 107.707 108.800 -0.065 0.000 2.554 223 G HA2 0.532 4.498 3.960 0.010 0.000 0.238 223 G HA3 0.532 4.498 3.960 0.010 0.000 0.238 223 G C -0.009 174.956 174.900 0.110 0.000 1.259 223 G CA 0.351 45.484 45.100 0.055 0.000 0.843 223 G HN 0.997 nan 8.290 nan 0.000 0.582 224 V N 2.347 122.366 119.914 0.173 0.000 2.417 224 V HA 0.400 4.526 4.120 0.010 0.000 0.291 224 V C -0.243 175.983 176.094 0.221 0.000 1.024 224 V CA -0.687 61.726 62.300 0.189 0.000 0.861 224 V CB 1.278 33.189 31.823 0.146 0.000 0.985 224 V HN 0.643 nan 8.190 nan 0.000 0.436 225 L N 6.724 128.127 121.223 0.299 0.000 2.313 225 L HA 0.760 5.106 4.340 0.010 0.000 0.283 225 L C -0.629 176.417 176.870 0.294 0.000 1.013 225 L CA 0.014 55.014 54.840 0.267 0.000 0.816 225 L CB 1.850 44.059 42.059 0.250 0.000 1.236 225 L HN 0.420 nan 8.230 nan 0.000 0.419 226 V N 5.421 125.439 119.914 0.172 0.000 2.495 226 V HA 0.385 4.511 4.120 0.010 0.000 0.298 226 V C -1.214 174.975 176.094 0.158 0.000 1.031 226 V CA -0.605 61.779 62.300 0.140 0.000 0.871 226 V CB 1.538 33.383 31.823 0.036 0.000 0.988 226 V HN 0.689 nan 8.190 nan 0.000 0.432 227 Y N 4.398 124.729 120.300 0.051 0.000 2.352 227 Y HA 0.711 5.267 4.550 0.010 0.000 0.339 227 Y C 0.158 176.051 175.900 -0.012 0.000 0.992 227 Y CA -0.531 57.583 58.100 0.023 0.000 1.100 227 Y CB 1.806 40.330 38.460 0.105 0.000 1.192 227 Y HN 0.704 nan 8.280 nan 0.000 0.458 228 S N 3.357 118.745 115.700 -0.519 0.000 2.549 228 S HA 0.854 5.330 4.470 0.010 0.000 0.280 228 S C -0.684 173.576 174.600 -0.566 0.000 1.109 228 S CA -0.396 57.545 58.200 -0.431 0.000 0.905 228 S CB 1.792 64.897 63.200 -0.160 0.000 1.081 228 S HN 0.934 nan 8.310 nan 0.000 0.477 229 T N -2.223 112.070 114.554 -0.436 0.000 2.883 229 T HA 0.571 4.927 4.350 0.010 0.000 0.296 229 T C 0.275 174.547 174.700 -0.713 0.000 1.117 229 T CA -0.570 61.250 62.100 -0.466 0.000 1.006 229 T CB 0.934 69.598 68.868 -0.340 0.000 1.191 229 T HN 1.581 nan 8.240 nan 0.000 0.508 230 C N 0.661 119.541 119.300 -0.699 0.000 2.422 230 C HA 0.704 5.170 4.460 0.010 0.000 0.301 230 C C 0.486 175.070 174.990 -0.676 0.000 1.444 230 C CA -0.472 58.046 59.018 -0.834 0.000 1.771 230 C CB -2.112 25.260 27.740 -0.613 0.000 2.834 230 C HN 0.989 nan 8.230 nan 0.000 0.545 231 T N -0.998 113.175 114.554 -0.635 0.000 2.883 231 T HA 0.652 5.008 4.350 0.010 0.000 0.296 231 T C -0.057 174.270 174.700 -0.621 0.000 1.117 231 T CA -0.207 61.514 62.100 -0.632 0.000 1.006 231 T CB 0.955 69.632 68.868 -0.318 0.000 1.191 231 T HN 0.195 nan 8.240 nan 0.000 0.508 232 F N 1.238 121.144 119.950 -0.075 0.000 2.656 232 F HA 0.483 5.016 4.527 0.009 0.000 0.291 232 F C 1.751 177.500 175.800 -0.085 0.000 1.122 232 F CA -0.280 57.666 58.000 -0.089 0.000 1.427 232 F CB -0.433 38.630 39.000 0.105 0.000 1.125 232 F HN 0.593 nan 8.300 nan 0.000 0.583 233 A N 3.223 126.116 122.820 0.122 0.000 2.566 233 A HA 0.080 4.406 4.320 0.010 0.000 0.245 233 A C -1.184 176.325 177.584 -0.125 0.000 1.056 233 A CA -0.824 51.233 52.037 0.033 0.000 0.757 233 A CB -0.333 18.734 19.000 0.110 0.000 0.979 233 A HN 0.075 nan 8.150 nan 0.000 0.508 234 P HA -0.156 nan 4.420 nan 0.000 0.218 234 P C 0.762 177.982 177.300 -0.134 0.000 1.149 234 P CA 1.312 64.275 63.100 -0.228 0.000 0.817 234 P CB 0.220 31.626 31.700 -0.490 0.000 0.785 235 E N 0.568 120.699 120.200 -0.115 0.000 2.118 235 E HA -0.185 4.171 4.350 0.010 0.000 0.195 235 E C 1.866 178.428 176.600 -0.063 0.000 0.992 235 E CA 1.290 57.648 56.400 -0.070 0.000 0.804 235 E CB -0.617 29.047 29.700 -0.061 0.000 0.741 235 E HN 0.486 nan 8.360 nan 0.000 0.458 236 E N -0.336 119.818 120.200 -0.078 0.000 2.442 236 E HA 0.035 4.391 4.350 0.010 0.000 0.195 236 E C 0.779 177.356 176.600 -0.038 0.000 1.030 236 E CA 0.026 56.402 56.400 -0.039 0.000 0.869 236 E CB 0.267 29.940 29.700 -0.044 0.000 0.857 236 E HN 0.167 nan 8.360 nan 0.000 0.505 237 N N 0.463 119.012 118.700 -0.252 0.000 2.528 237 N HA 0.009 4.755 4.740 0.010 0.000 0.208 237 N C 1.374 176.644 175.510 -0.399 0.000 1.218 237 N CA 0.221 52.811 53.050 -0.767 0.000 1.112 237 N CB -0.429 37.169 38.487 -1.481 0.000 1.423 237 N HN -0.123 nan 8.380 nan 0.000 0.497 238 E N 0.733 120.762 120.200 -0.285 0.000 2.160 238 E HA -0.033 4.323 4.350 0.010 0.000 0.195 238 E C 1.765 178.436 176.600 0.118 0.000 0.991 238 E CA 1.321 57.779 56.400 0.096 0.000 0.810 238 E CB -0.607 29.223 29.700 0.217 0.000 0.742 238 E HN 0.527 nan 8.360 nan 0.000 0.466 239 G N 0.285 109.120 108.800 0.059 0.000 2.421 239 G HA2 -0.245 3.721 3.960 0.010 0.000 0.216 239 G HA3 -0.245 3.721 3.960 0.010 0.000 0.216 239 G C 1.737 176.685 174.900 0.080 0.000 1.171 239 G CA 0.907 46.048 45.100 0.069 0.000 0.775 239 G HN 0.195 nan 8.290 nan 0.000 0.543 240 V N 0.444 120.377 119.914 0.032 0.000 2.295 240 V HA -0.163 3.963 4.120 0.010 0.000 0.246 240 V C 3.052 179.192 176.094 0.077 0.000 1.049 240 V CA 1.498 63.792 62.300 -0.010 0.000 1.024 240 V CB -0.341 31.399 31.823 -0.139 0.000 0.648 240 V HN 0.245 nan 8.190 nan 0.000 0.447 241 V N 0.330 120.328 119.914 0.141 0.000 2.295 241 V HA -0.263 3.863 4.120 0.010 0.000 0.246 241 V C 2.705 178.999 176.094 0.333 0.000 1.049 241 V CA 2.075 64.556 62.300 0.303 0.000 1.024 241 V CB -1.158 30.907 31.823 0.403 0.000 0.648 241 V HN 0.561 nan 8.190 nan 0.000 0.447 242 A N -0.825 122.146 122.820 0.251 0.000 1.902 242 A HA -0.289 4.037 4.320 0.010 0.000 0.217 242 A C 2.263 179.959 177.584 0.186 0.000 1.181 242 A CA 1.969 54.130 52.037 0.206 0.000 0.623 242 A CB -0.880 18.219 19.000 0.165 0.000 0.818 242 A HN 0.714 nan 8.150 nan 0.000 0.443 243 H N -1.502 117.633 119.070 0.108 0.000 2.321 243 H HA -0.186 4.376 4.556 0.011 0.000 0.300 243 H C 1.975 177.363 175.328 0.101 0.000 1.087 243 H CA 2.167 58.263 56.048 0.078 0.000 1.319 243 H CB -0.492 29.303 29.762 0.056 0.000 1.379 243 H HN 0.475 nan 8.280 nan 0.000 0.501 244 F N 1.367 121.381 119.950 0.108 0.000 2.095 244 F HA -0.191 4.342 4.527 0.010 0.000 0.298 244 F C 2.517 178.341 175.800 0.040 0.000 1.104 244 F CA 1.280 59.288 58.000 0.013 0.000 1.232 244 F CB -0.659 38.215 39.000 -0.209 0.000 0.987 244 F HN 0.087 nan 8.300 nan 0.000 0.475 245 L N 0.335 121.591 121.223 0.056 0.000 2.046 245 L HA -0.247 4.099 4.340 0.010 0.000 0.208 245 L C 2.620 179.439 176.870 -0.085 0.000 1.077 245 L CA 1.849 56.696 54.840 0.012 0.000 0.747 245 L CB -0.766 41.415 42.059 0.205 0.000 0.896 245 L HN 0.153 nan 8.230 nan 0.000 0.432 246 K N 0.399 120.743 120.400 -0.094 0.000 2.097 246 K HA -0.154 4.172 4.320 0.010 0.000 0.205 246 K C 1.928 178.396 176.600 -0.220 0.000 1.050 246 K CA 1.318 57.528 56.287 -0.129 0.000 0.938 246 K CB -0.007 32.416 32.500 -0.129 0.000 0.718 246 K HN 0.284 nan 8.250 nan 0.000 0.442 247 A N 0.092 122.718 122.820 -0.323 0.000 2.169 247 A HA -0.006 4.320 4.320 0.010 0.000 0.212 247 A C -0.180 176.959 177.584 -0.742 0.000 1.153 247 A CA 0.540 52.289 52.037 -0.481 0.000 0.756 247 A CB -0.144 18.556 19.000 -0.500 0.000 0.813 247 A HN 0.398 nan 8.150 nan 0.000 0.471 248 H N -1.047 117.755 119.070 -0.446 0.000 2.488 248 H HA 0.242 4.804 4.556 0.010 0.000 0.237 248 H C -2.195 173.044 175.328 -0.148 0.000 1.395 248 H CA -1.380 54.441 56.048 -0.378 0.000 1.491 248 H CB 0.830 30.079 29.762 -0.855 0.000 1.567 248 H HN 0.160 nan 8.280 nan 0.000 0.508 249 P HA -0.172 nan 4.420 nan 0.000 0.228 249 P C 1.155 178.485 177.300 0.050 0.000 1.151 249 P CA 0.940 64.047 63.100 0.011 0.000 0.770 249 P CB 0.583 32.267 31.700 -0.027 0.000 0.786 250 E N -0.202 120.041 120.200 0.073 0.000 2.482 250 E HA -0.071 4.285 4.350 0.010 0.000 0.196 250 E C -0.114 176.424 176.600 -0.102 0.000 1.047 250 E CA 0.178 56.568 56.400 -0.016 0.000 0.869 250 E CB -0.555 29.111 29.700 -0.057 0.000 0.836 250 E HN 0.240 nan 8.360 nan 0.000 0.520 251 F N 1.090 121.061 119.950 0.035 0.000 2.450 251 F HA 0.482 5.016 4.527 0.011 0.000 0.332 251 F C 0.653 176.568 175.800 0.192 0.000 1.093 251 F CA -0.952 57.125 58.000 0.129 0.000 1.003 251 F CB 1.723 40.807 39.000 0.140 0.000 1.151 251 F HN -0.226 nan 8.300 nan 0.000 0.474 252 R N 3.390 124.129 120.500 0.397 0.000 2.673 252 R HA 0.557 4.903 4.340 0.010 0.000 0.281 252 R C -1.573 174.918 176.300 0.319 0.000 0.991 252 R CA -0.791 55.494 56.100 0.310 0.000 0.896 252 R CB 1.520 31.913 30.300 0.155 0.000 1.201 252 R HN 0.724 nan 8.270 nan 0.000 0.457 253 L N 3.172 124.517 121.223 0.203 0.000 2.456 253 L HA 0.157 4.503 4.340 0.010 0.000 0.272 253 L C 0.251 177.120 176.870 -0.001 0.000 1.189 253 L CA 0.619 55.449 54.840 -0.018 0.000 0.846 253 L CB 0.666 42.674 42.059 -0.086 0.000 1.111 253 L HN 0.596 nan 8.230 nan 0.000 0.475 254 E N 1.119 121.292 120.200 -0.046 0.000 2.221 254 E HA 0.149 4.505 4.350 0.010 0.000 0.268 254 E C -1.077 175.492 176.600 -0.053 0.000 0.933 254 E CA -0.976 55.411 56.400 -0.022 0.000 0.809 254 E CB 1.601 31.303 29.700 0.005 0.000 1.190 254 E HN 0.398 nan 8.360 nan 0.000 0.406 255 D N 1.015 121.398 120.400 -0.029 0.000 2.434 255 D HA 0.022 4.668 4.640 0.010 0.000 0.252 255 D C -0.075 176.205 176.300 -0.032 0.000 1.185 255 D CA 0.271 54.253 54.000 -0.030 0.000 0.886 255 D CB 1.021 41.812 40.800 -0.015 0.000 1.148 255 D HN 0.515 nan 8.370 nan 0.000 0.483 256 A N 5.123 127.918 122.820 -0.041 0.000 2.308 256 A HA 0.078 4.404 4.320 0.010 0.000 0.217 256 A C 1.041 178.676 177.584 0.084 0.000 1.216 256 A CA -0.187 51.838 52.037 -0.020 0.000 0.864 256 A CB 0.125 19.061 19.000 -0.107 0.000 0.902 256 A HN 0.508 nan 8.150 nan 0.000 0.499 257 R N 0.944 121.483 120.500 0.064 0.000 3.247 257 R HA 0.242 4.588 4.340 0.010 0.000 0.212 257 R C 0.249 176.492 176.300 -0.094 0.000 1.604 257 R CA -0.231 55.925 56.100 0.093 0.000 1.279 257 R CB -0.180 30.155 30.300 0.058 0.000 1.277 257 R HN 0.460 nan 8.270 nan 0.000 0.669 258 L N 0.262 121.358 121.223 -0.211 0.000 2.191 258 L HA -0.094 4.252 4.340 0.010 0.000 0.212 258 L C 1.220 177.858 176.870 -0.386 0.000 1.103 258 L CA 1.149 55.822 54.840 -0.279 0.000 0.769 258 L CB -0.296 41.645 42.059 -0.196 0.000 0.908 258 L HN 0.546 nan 8.230 nan 0.000 0.438 259 H N -1.357 117.193 119.070 -0.866 0.000 2.930 259 H HA 0.194 4.756 4.556 0.010 0.000 0.371 259 H C -2.182 172.934 175.328 -0.354 0.000 1.169 259 H CA -1.522 54.189 56.048 -0.563 0.000 1.157 259 H CB 2.663 32.083 29.762 -0.570 0.000 1.789 259 H HN -0.301 nan 8.280 nan 0.000 0.547 260 P HA -0.042 nan 4.420 nan 0.000 0.222 260 P C 1.535 178.908 177.300 0.122 0.000 1.147 260 P CA 0.798 63.819 63.100 -0.132 0.000 0.790 260 P CB 0.306 31.892 31.700 -0.190 0.000 0.780 261 L N -2.803 118.669 121.223 0.415 0.000 2.376 261 L HA -0.023 4.323 4.340 0.010 0.000 0.219 261 L C 0.770 177.890 176.870 0.416 0.000 1.133 261 L CA 0.149 55.237 54.840 0.413 0.000 0.816 261 L CB -0.625 41.727 42.059 0.489 0.000 0.933 261 L HN -0.095 nan 8.230 nan 0.000 0.449 262 F N 1.105 121.110 119.950 0.091 0.000 2.484 262 F HA 0.286 4.819 4.527 0.011 0.000 0.360 262 F C 0.890 176.722 175.800 0.054 0.000 1.101 262 F CA -1.391 56.609 58.000 0.001 0.000 1.251 262 F CB -0.035 38.933 39.000 -0.054 0.000 1.132 262 F HN -0.154 nan 8.300 nan 0.000 0.570 263 A N 5.991 128.965 122.820 0.257 0.000 2.304 263 A HA 0.648 4.974 4.320 0.010 0.000 0.301 263 A C -2.343 175.345 177.584 0.174 0.000 1.132 263 A CA -1.621 50.555 52.037 0.232 0.000 0.819 263 A CB 0.089 19.310 19.000 0.368 0.000 1.094 263 A HN 0.453 nan 8.150 nan 0.000 0.492 264 P HA 0.191 nan 4.420 nan 0.000 0.272 264 P C 0.541 177.908 177.300 0.113 0.000 1.223 264 P CA 0.235 63.390 63.100 0.091 0.000 0.784 264 P CB 0.568 32.299 31.700 0.053 0.000 0.923 265 G N 0.680 109.553 108.800 0.122 0.000 2.684 265 G HA2 0.333 4.298 3.960 0.010 0.000 0.255 265 G HA3 0.333 4.298 3.960 0.010 0.000 0.255 265 G C -0.689 174.234 174.900 0.039 0.000 1.219 265 G CA -0.427 44.782 45.100 0.182 0.000 0.901 265 G HN 0.372 nan 8.290 nan 0.000 0.548 266 V N 2.090 121.984 119.914 -0.033 0.000 2.326 266 V HA 0.200 4.326 4.120 0.010 0.000 0.281 266 V C -1.461 174.547 176.094 -0.143 0.000 1.015 266 V CA -1.010 61.111 62.300 -0.297 0.000 0.823 266 V CB 1.954 33.155 31.823 -1.038 0.000 1.009 266 V HN 0.519 nan 8.190 nan 0.000 0.436 267 P HA -0.192 nan 4.420 nan 0.000 0.216 267 P C 1.546 178.860 177.300 0.023 0.000 1.150 267 P CA 1.125 64.225 63.100 0.001 0.000 0.843 267 P CB 0.432 32.129 31.700 -0.005 0.000 0.787 268 E N -1.473 118.701 120.200 -0.043 0.000 2.265 268 E HA -0.187 4.169 4.350 0.010 0.000 0.196 268 E C 0.833 177.587 176.600 0.256 0.000 0.996 268 E CA 0.834 57.268 56.400 0.057 0.000 0.832 268 E CB -0.266 29.442 29.700 0.013 0.000 0.756 268 E HN 0.248 nan 8.360 nan 0.000 0.491 269 W N 0.009 121.338 121.300 0.048 0.000 3.256 269 W HA 0.304 4.970 4.660 0.011 0.000 0.269 269 W C 0.841 177.383 176.519 0.037 0.000 1.310 269 W CA 0.476 57.844 57.345 0.038 0.000 1.673 269 W CB 0.156 29.638 29.460 0.036 0.000 1.115 269 W HN 0.042 nan 8.180 nan 0.000 0.686 270 G N 0.172 109.118 108.800 0.244 0.000 4.566 270 G HA2 0.347 4.313 3.960 0.010 0.000 0.307 270 G HA3 0.347 4.313 3.960 0.010 0.000 0.307 270 G C 0.097 175.078 174.900 0.136 0.000 1.383 270 G CA -0.397 44.809 45.100 0.177 0.000 0.910 270 G HN 0.176 nan 8.290 nan 0.000 0.538 271 E N -0.563 119.711 120.200 0.122 0.000 2.971 271 E HA -0.272 4.084 4.350 0.010 0.000 0.278 271 E C 1.495 178.140 176.600 0.076 0.000 1.009 271 E CA 0.861 57.316 56.400 0.091 0.000 0.862 271 E CB -1.290 28.459 29.700 0.083 0.000 1.436 271 E HN 1.678 nan 8.360 nan 0.000 0.434 272 G N 0.661 109.508 108.800 0.079 0.000 2.153 272 G HA2 -0.373 3.593 3.960 0.010 0.000 0.252 272 G HA3 -0.373 3.593 3.960 0.010 0.000 0.252 272 G C -0.033 174.896 174.900 0.050 0.000 0.994 272 G CA 0.286 45.420 45.100 0.056 0.000 0.698 272 G HN 0.316 nan 8.290 nan 0.000 0.521 273 N N 0.847 119.585 118.700 0.065 0.000 2.405 273 N HA 0.346 5.092 4.740 0.010 0.000 0.260 273 N C -0.756 174.788 175.510 0.056 0.000 1.152 273 N CA -1.967 51.121 53.050 0.064 0.000 0.948 273 N CB 1.327 39.864 38.487 0.085 0.000 1.111 273 N HN 0.056 nan 8.380 nan 0.000 0.485 274 P HA -0.063 nan 4.420 nan 0.000 0.225 274 P C 0.733 178.055 177.300 0.038 0.000 1.148 274 P CA 0.801 63.920 63.100 0.031 0.000 0.779 274 P CB 0.414 32.128 31.700 0.023 0.000 0.780 275 E N -0.454 119.777 120.200 0.051 0.000 2.209 275 E HA -0.137 4.219 4.350 0.010 0.000 0.196 275 E C 1.659 178.292 176.600 0.056 0.000 0.993 275 E CA 0.879 57.312 56.400 0.055 0.000 0.819 275 E CB -0.652 29.094 29.700 0.077 0.000 0.745 275 E HN 0.265 nan 8.360 nan 0.000 0.477 276 L N 0.378 121.645 121.223 0.074 0.000 2.353 276 L HA -0.128 4.218 4.340 0.010 0.000 0.220 276 L C 2.230 179.141 176.870 0.069 0.000 1.133 276 L CA 0.863 55.760 54.840 0.095 0.000 0.798 276 L CB -0.626 41.507 42.059 0.124 0.000 0.922 276 L HN 0.110 nan 8.230 nan 0.000 0.445 277 L N -1.026 120.221 121.223 0.040 0.000 2.353 277 L HA -0.217 4.129 4.340 0.010 0.000 0.220 277 L C 2.166 179.048 176.870 0.020 0.000 1.133 277 L CA 1.050 55.906 54.840 0.027 0.000 0.798 277 L CB -0.455 41.612 42.059 0.015 0.000 0.922 277 L HN 0.269 nan 8.230 nan 0.000 0.445 278 K N -0.498 119.906 120.400 0.008 0.000 2.418 278 K HA 0.002 4.328 4.320 0.010 0.000 0.195 278 K C 1.058 177.621 176.600 -0.062 0.000 1.035 278 K CA 0.444 56.718 56.287 -0.022 0.000 1.003 278 K CB -0.018 32.463 32.500 -0.032 0.000 0.793 278 K HN 0.402 nan 8.250 nan 0.000 0.494 279 T N -1.007 113.515 114.554 -0.054 0.000 2.828 279 T HA 0.485 4.841 4.350 0.010 0.000 0.290 279 T C -0.026 174.604 174.700 -0.116 0.000 1.019 279 T CA -0.947 61.062 62.100 -0.153 0.000 1.031 279 T CB 1.577 70.400 68.868 -0.075 0.000 1.001 279 T HN 0.062 nan 8.240 nan 0.000 0.531 280 A N 1.464 124.119 122.820 -0.275 0.000 2.393 280 A HA 0.736 5.062 4.320 0.010 0.000 0.306 280 A C -0.268 177.174 177.584 -0.237 0.000 1.050 280 A CA -1.105 50.837 52.037 -0.159 0.000 0.724 280 A CB 1.259 20.208 19.000 -0.085 0.000 1.248 280 A HN 0.846 nan 8.150 nan 0.000 0.424 281 R N 1.190 121.617 120.500 -0.121 0.000 2.437 281 R HA 0.540 4.886 4.340 0.010 0.000 0.310 281 R C -1.664 174.414 176.300 -0.370 0.000 0.955 281 R CA -0.687 55.274 56.100 -0.232 0.000 0.851 281 R CB 1.588 31.775 30.300 -0.188 0.000 1.161 281 R HN 0.530 nan 8.270 nan 0.000 0.446 282 L N 3.643 124.576 121.223 -0.484 0.000 2.262 282 L HA 0.389 4.735 4.340 0.010 0.000 0.288 282 L C -0.970 175.812 176.870 -0.146 0.000 1.035 282 L CA -0.017 54.573 54.840 -0.416 0.000 0.820 282 L CB 0.558 42.235 42.059 -0.637 0.000 1.204 282 L HN 0.471 nan 8.230 nan 0.000 0.424 283 W N 5.180 126.509 121.300 0.048 0.000 2.520 283 W HA 0.453 5.119 4.660 0.009 0.000 0.323 283 W C -1.307 175.300 176.519 0.147 0.000 1.062 283 W CA -1.346 56.105 57.345 0.178 0.000 1.215 283 W CB 1.448 30.898 29.460 -0.017 0.000 1.340 283 W HN 0.366 nan 8.180 nan 0.000 0.516 284 P HA -0.211 nan 4.420 nan 0.000 0.226 284 P C 0.973 178.450 177.300 0.295 0.000 1.153 284 P CA 1.643 64.956 63.100 0.355 0.000 0.777 284 P CB 0.078 31.966 31.700 0.314 0.000 0.794 285 H N -1.256 117.953 119.070 0.232 0.000 2.539 285 H HA 0.274 4.836 4.556 0.010 0.000 0.269 285 H C 1.375 176.780 175.328 0.129 0.000 0.980 285 H CA 0.054 56.177 56.048 0.124 0.000 1.152 285 H CB -0.228 29.577 29.762 0.071 0.000 1.407 285 H HN 0.123 nan 8.280 nan 0.000 0.564 286 R N 0.239 120.653 120.500 -0.143 0.000 2.344 286 R HA 0.237 4.582 4.340 0.010 0.000 0.209 286 R C -0.222 176.135 176.300 0.096 0.000 0.886 286 R CA 0.136 56.196 56.100 -0.068 0.000 1.040 286 R CB 0.753 30.995 30.300 -0.097 0.000 1.114 286 R HN 0.183 nan 8.270 nan 0.000 0.547 287 L N -3.176 118.136 121.223 0.149 0.000 2.630 287 L HA 0.467 4.813 4.340 0.010 0.000 0.258 287 L C -0.807 176.214 176.870 0.251 0.000 1.072 287 L CA -1.120 53.864 54.840 0.239 0.000 0.885 287 L CB 1.154 43.386 42.059 0.289 0.000 1.502 287 L HN -0.236 nan 8.230 nan 0.000 0.406 288 E N -0.146 120.248 120.200 0.323 0.000 1.941 288 E HA 0.610 4.966 4.350 0.010 0.000 0.275 288 E C -0.436 176.425 176.600 0.436 0.000 1.113 288 E CA 0.106 56.639 56.400 0.221 0.000 0.878 288 E CB 0.031 29.672 29.700 -0.100 0.000 1.070 288 E HN 1.018 nan 8.360 nan 0.000 0.399 289 G N 2.909 111.895 108.800 0.311 0.000 2.355 289 G HA2 -0.017 3.949 3.960 0.010 0.000 0.296 289 G HA3 -0.017 3.949 3.960 0.010 0.000 0.296 289 G C -0.035 174.985 174.900 0.200 0.000 1.507 289 G CA -0.582 44.700 45.100 0.305 0.000 0.823 289 G HN 0.317 nan 8.290 nan 0.000 0.569 290 E N -0.453 119.840 120.200 0.155 0.000 2.122 290 E HA 0.309 4.665 4.350 0.010 0.000 0.190 290 E C 1.243 177.979 176.600 0.226 0.000 0.977 290 E CA 1.459 57.947 56.400 0.148 0.000 0.820 290 E CB 0.426 30.167 29.700 0.068 0.000 0.770 290 E HN 1.756 nan 8.360 nan 0.000 0.462 291 G N 0.272 109.160 108.800 0.148 0.000 2.326 291 G HA2 0.202 4.168 3.960 0.010 0.000 0.299 291 G HA3 0.202 4.168 3.960 0.010 0.000 0.299 291 G C -1.599 173.236 174.900 -0.109 0.000 1.643 291 G CA -0.849 44.294 45.100 0.072 0.000 0.916 291 G HN 0.147 nan 8.290 nan 0.000 0.700 292 H N -0.331 118.551 119.070 -0.314 0.000 3.064 292 H HA 0.706 5.268 4.556 0.010 0.000 0.352 292 H C -1.516 173.638 175.328 -0.291 0.000 1.260 292 H CA -0.479 55.373 56.048 -0.327 0.000 1.160 292 H CB 1.957 31.521 29.762 -0.330 0.000 1.879 292 H HN 0.727 nan 8.280 nan 0.000 0.544 293 F N 3.260 123.003 119.950 -0.345 0.000 2.520 293 F HA 0.674 5.207 4.527 0.010 0.000 0.322 293 F C -1.833 173.843 175.800 -0.208 0.000 1.103 293 F CA -0.636 57.200 58.000 -0.273 0.000 0.926 293 F CB 0.858 39.716 39.000 -0.237 0.000 1.154 293 F HN 0.325 nan 8.300 nan 0.000 0.453 294 L N 5.574 126.195 121.223 -1.004 0.000 2.408 294 L HA 0.885 5.231 4.340 0.010 0.000 0.268 294 L C -0.974 175.385 176.870 -0.852 0.000 0.986 294 L CA -1.106 53.312 54.840 -0.704 0.000 0.820 294 L CB 1.911 43.722 42.059 -0.415 0.000 1.303 294 L HN 0.785 nan 8.230 nan 0.000 0.411 295 A N 2.930 125.465 122.820 -0.475 0.000 2.398 295 A HA 0.782 5.108 4.320 0.010 0.000 0.301 295 A C -1.109 176.270 177.584 -0.342 0.000 1.041 295 A CA -0.602 51.184 52.037 -0.418 0.000 0.711 295 A CB 1.869 20.713 19.000 -0.260 0.000 1.240 295 A HN 0.780 nan 8.150 nan 0.000 0.420 296 R N 2.133 122.383 120.500 -0.418 0.000 2.494 296 R HA 0.756 5.102 4.340 0.010 0.000 0.305 296 R C -1.836 174.270 176.300 -0.323 0.000 0.959 296 R CA -0.375 55.591 56.100 -0.224 0.000 0.864 296 R CB 0.883 31.128 30.300 -0.092 0.000 1.159 296 R HN 0.576 nan 8.270 nan 0.000 0.446 297 F N 1.860 121.883 119.950 0.122 0.000 2.561 297 F HA 0.548 5.080 4.527 0.009 0.000 0.321 297 F C 0.042 175.964 175.800 0.202 0.000 1.065 297 F CA -1.124 57.006 58.000 0.217 0.000 0.934 297 F CB 1.789 41.028 39.000 0.400 0.000 1.215 297 F HN 0.347 nan 8.300 nan 0.000 0.471 298 R N 1.957 122.668 120.500 0.351 0.000 2.562 298 R HA 0.411 4.757 4.340 0.010 0.000 0.298 298 R C -1.312 174.966 176.300 -0.038 0.000 0.961 298 R CA -0.780 55.409 56.100 0.148 0.000 0.881 298 R CB 1.522 31.871 30.300 0.081 0.000 1.159 298 R HN 0.674 nan 8.270 nan 0.000 0.450 299 K N 2.559 122.789 120.400 -0.283 0.000 2.201 299 K HA 0.173 4.499 4.320 0.010 0.000 0.278 299 K C -1.029 175.359 176.600 -0.354 0.000 1.027 299 K CA -0.412 55.466 56.287 -0.682 0.000 0.909 299 K CB 1.043 33.017 32.500 -0.877 0.000 1.062 299 K HN 0.737 nan 8.250 nan 0.000 0.465 300 E N 3.490 123.506 120.200 -0.308 0.000 2.171 300 E HA 0.463 4.819 4.350 0.010 0.000 0.271 300 E C -0.446 176.044 176.600 -0.183 0.000 0.916 300 E CA -0.408 55.881 56.400 -0.185 0.000 0.774 300 E CB 1.141 30.775 29.700 -0.111 0.000 1.128 300 E HN 0.892 nan 8.360 nan 0.000 0.403 301 G N 2.190 110.893 108.800 -0.162 0.000 2.655 301 G HA2 0.301 4.267 3.960 0.010 0.000 0.680 301 G HA3 0.301 4.267 3.960 0.010 0.000 0.680 301 G C 0.310 175.105 174.900 -0.176 0.000 1.302 301 G CA -0.520 44.497 45.100 -0.139 0.000 0.872 301 G HN 1.478 nan 8.290 nan 0.000 0.540 302 G N -1.511 107.207 108.800 -0.136 0.000 2.698 302 G HA2 0.519 4.485 3.960 0.010 0.000 0.225 302 G HA3 0.519 4.485 3.960 0.010 0.000 0.225 302 G C 0.194 174.988 174.900 -0.176 0.000 1.345 302 G CA 0.985 45.999 45.100 -0.143 0.000 0.871 302 G HN 2.922 nan 8.290 nan 0.000 0.540 303 A N -1.424 121.290 122.820 -0.176 0.000 2.515 303 A HA 0.746 5.072 4.320 0.010 0.000 0.296 303 A C -0.789 176.686 177.584 -0.181 0.000 1.094 303 A CA -0.284 51.661 52.037 -0.153 0.000 0.718 303 A CB 0.925 19.913 19.000 -0.020 0.000 1.307 303 A HN 1.396 nan 8.150 nan 0.000 0.408 304 W N 1.949 123.240 121.300 -0.014 0.000 2.251 304 W HA 0.388 5.054 4.660 0.010 0.000 0.327 304 W C 1.163 177.704 176.519 0.036 0.000 1.361 304 W CA 0.752 58.085 57.345 -0.019 0.000 1.234 304 W CB 0.879 30.299 29.460 -0.068 0.000 1.212 304 W HN 0.792 nan 8.180 nan 0.000 0.557 305 S N 0.951 116.849 115.700 0.330 0.000 2.614 305 S HA 0.453 4.929 4.470 0.010 0.000 0.265 305 S C 0.292 175.056 174.600 0.273 0.000 1.303 305 S CA -0.423 57.928 58.200 0.252 0.000 1.000 305 S CB 1.188 64.525 63.200 0.229 0.000 0.935 305 S HN 0.508 nan 8.310 nan 0.000 0.551 306 T N -1.335 113.312 114.554 0.154 0.000 3.585 306 T HA 0.426 4.782 4.350 0.010 0.000 0.252 306 T C -2.414 172.302 174.700 0.027 0.000 1.382 306 T CA -1.186 60.978 62.100 0.108 0.000 1.584 306 T CB -0.303 68.617 68.868 0.086 0.000 0.892 306 T HN 0.607 nan 8.240 nan 0.000 0.671 307 P HA 0.279 nan 4.420 nan 0.000 0.272 307 P C 0.040 177.293 177.300 -0.079 0.000 1.230 307 P CA -0.570 62.477 63.100 -0.089 0.000 0.788 307 P CB 0.956 32.533 31.700 -0.205 0.000 0.949 308 R N 0.599 121.077 120.500 -0.037 0.000 2.698 308 R HA 0.201 4.547 4.340 0.010 0.000 0.266 308 R C 0.326 176.595 176.300 -0.052 0.000 1.026 308 R CA -0.223 55.861 56.100 -0.026 0.000 1.102 308 R CB -0.036 30.261 30.300 -0.005 0.000 0.978 308 R HN 0.461 nan 8.270 nan 0.000 0.436 309 L N 1.503 122.705 121.223 -0.035 0.000 2.379 309 L HA 0.198 4.544 4.340 0.010 0.000 0.269 309 L C 0.460 177.320 176.870 -0.016 0.000 1.084 309 L CA -0.710 54.107 54.840 -0.038 0.000 0.802 309 L CB 1.051 43.102 42.059 -0.014 0.000 1.175 309 L HN 0.517 nan 8.230 nan 0.000 0.448 310 E N 2.403 122.595 120.200 -0.015 0.000 2.328 310 E HA 0.084 4.440 4.350 0.010 0.000 0.265 310 E C -0.959 175.648 176.600 0.011 0.000 1.057 310 E CA 0.312 56.715 56.400 0.004 0.000 0.916 310 E CB 0.361 30.065 29.700 0.006 0.000 0.993 310 E HN 0.289 nan 8.360 nan 0.000 0.446 311 R N 5.561 126.070 120.500 0.015 0.000 2.412 311 R HA 0.324 4.670 4.340 0.010 0.000 0.304 311 R C -2.222 174.091 176.300 0.022 0.000 1.066 311 R CA -1.849 54.261 56.100 0.018 0.000 0.923 311 R CB 1.206 31.515 30.300 0.015 0.000 1.156 311 R HN 0.489 nan 8.270 nan 0.000 0.513 312 P HA 0.060 nan 4.420 nan 0.000 0.269 312 P C -0.308 177.007 177.300 0.025 0.000 1.209 312 P CA -0.013 63.104 63.100 0.030 0.000 0.776 312 P CB 0.751 32.473 31.700 0.036 0.000 0.876 313 S N 2.705 118.419 115.700 0.024 0.000 2.584 313 S HA 0.207 4.683 4.470 0.010 0.000 0.270 313 S C -1.988 172.626 174.600 0.022 0.000 1.346 313 S CA -0.626 57.587 58.200 0.021 0.000 1.018 313 S CB -0.721 62.491 63.200 0.020 0.000 0.899 313 S HN 0.407 nan 8.310 nan 0.000 0.542 314 P HA 0.104 nan 4.420 nan 0.000 0.267 314 P C -0.487 176.826 177.300 0.021 0.000 1.200 314 P CA -0.075 63.038 63.100 0.022 0.000 0.772 314 P CB 0.250 31.963 31.700 0.021 0.000 0.855 315 L N 1.212 122.448 121.223 0.022 0.000 2.483 315 L HA 0.056 4.402 4.340 0.010 0.000 0.276 315 L C 1.262 178.145 176.870 0.021 0.000 1.213 315 L CA -0.146 54.705 54.840 0.018 0.000 0.843 315 L CB -0.021 42.051 42.059 0.021 0.000 1.107 315 L HN 0.527 nan 8.230 nan 0.000 0.487 316 S N 1.656 117.368 115.700 0.019 0.000 2.576 316 S HA 0.004 4.480 4.470 0.010 0.000 0.272 316 S C 0.838 175.453 174.600 0.024 0.000 1.352 316 S CA -0.603 57.609 58.200 0.020 0.000 1.021 316 S CB 1.001 64.211 63.200 0.017 0.000 0.887 316 S HN 0.608 nan 8.310 nan 0.000 0.542 317 Q N 0.911 120.725 119.800 0.022 0.000 2.096 317 Q HA -0.200 4.146 4.340 0.010 0.000 0.204 317 Q C 2.124 178.141 176.000 0.029 0.000 0.982 317 Q CA 2.090 57.907 55.803 0.024 0.000 0.850 317 Q CB -0.549 28.200 28.738 0.019 0.000 0.901 317 Q HN 0.998 nan 8.270 nan 0.000 0.422 318 E N 0.220 120.436 120.200 0.027 0.000 2.031 318 E HA -0.173 4.183 4.350 0.010 0.000 0.193 318 E C 1.891 178.519 176.600 0.046 0.000 0.994 318 E CA 1.116 57.535 56.400 0.032 0.000 0.800 318 E CB -0.002 29.713 29.700 0.025 0.000 0.752 318 E HN 0.276 nan 8.360 nan 0.000 0.447 319 A N 1.068 123.913 122.820 0.042 0.000 1.902 319 A HA -0.150 4.176 4.320 0.010 0.000 0.217 319 A C 2.147 179.775 177.584 0.073 0.000 1.181 319 A CA 1.251 53.319 52.037 0.051 0.000 0.623 319 A CB -0.662 18.351 19.000 0.020 0.000 0.818 319 A HN 0.383 nan 8.150 nan 0.000 0.443 320 L N -0.126 121.135 121.223 0.064 0.000 1.994 320 L HA -0.142 4.203 4.340 0.010 0.000 0.208 320 L C 2.493 179.407 176.870 0.072 0.000 1.071 320 L CA 2.030 56.919 54.840 0.081 0.000 0.745 320 L CB -0.589 41.503 42.059 0.055 0.000 0.892 320 L HN 0.348 nan 8.230 nan 0.000 0.431 321 R N -0.772 119.758 120.500 0.051 0.000 2.083 321 R HA -0.146 4.200 4.340 0.010 0.000 0.237 321 R C 2.235 178.565 176.300 0.051 0.000 1.137 321 R CA 1.425 57.548 56.100 0.039 0.000 0.951 321 R CB -0.684 29.637 30.300 0.034 0.000 0.851 321 R HN 0.545 nan 8.270 nan 0.000 0.434 322 A N 0.619 123.488 122.820 0.082 0.000 1.873 322 A HA -0.186 4.140 4.320 0.010 0.000 0.215 322 A C 1.954 179.608 177.584 0.117 0.000 1.186 322 A CA 1.128 53.239 52.037 0.124 0.000 0.616 322 A CB -0.601 18.499 19.000 0.166 0.000 0.823 322 A HN 0.349 nan 8.150 nan 0.000 0.442 323 F N 0.716 120.568 119.950 -0.164 0.000 2.146 323 F HA -0.066 4.467 4.527 0.010 0.000 0.298 323 F C 2.361 178.056 175.800 -0.175 0.000 1.096 323 F CA 1.525 59.267 58.000 -0.430 0.000 1.275 323 F CB -0.349 38.362 39.000 -0.481 0.000 1.008 323 F HN 0.106 nan 8.300 nan 0.000 0.480 324 R N -0.147 120.248 120.500 -0.174 0.000 2.096 324 R HA -0.092 4.254 4.340 0.010 0.000 0.235 324 R C 2.557 178.757 176.300 -0.165 0.000 1.127 324 R CA 1.087 57.054 56.100 -0.223 0.000 0.968 324 R CB -1.213 29.031 30.300 -0.095 0.000 0.861 324 R HN 0.469 nan 8.270 nan 0.000 0.440 325 G N 0.945 109.706 108.800 -0.065 0.000 2.446 325 G HA2 -0.318 3.648 3.960 0.010 0.000 0.217 325 G HA3 -0.318 3.648 3.960 0.010 0.000 0.217 325 G C 1.230 176.118 174.900 -0.019 0.000 1.168 325 G CA 0.626 45.713 45.100 -0.022 0.000 0.771 325 G HN 0.326 nan 8.290 nan 0.000 0.551 326 F N 1.307 121.182 119.950 -0.127 0.000 2.102 326 F HA 0.043 4.576 4.527 0.010 0.000 0.298 326 F C 2.396 178.097 175.800 -0.165 0.000 1.105 326 F CA 1.182 59.126 58.000 -0.094 0.000 1.239 326 F CB -0.270 38.733 39.000 0.005 0.000 0.991 326 F HN 0.054 nan 8.300 nan 0.000 0.474 327 L N 0.242 121.163 121.223 -0.503 0.000 2.046 327 L HA -0.205 4.140 4.340 0.010 0.000 0.208 327 L C 2.591 179.216 176.870 -0.409 0.000 1.077 327 L CA 1.928 56.422 54.840 -0.576 0.000 0.747 327 L CB -0.918 40.832 42.059 -0.515 0.000 0.896 327 L HN 0.298 nan 8.230 nan 0.000 0.432 328 E N 0.410 120.438 120.200 -0.286 0.000 2.051 328 E HA -0.287 4.069 4.350 0.010 0.000 0.192 328 E C 2.131 178.618 176.600 -0.188 0.000 0.991 328 E CA 1.375 57.660 56.400 -0.192 0.000 0.799 328 E CB -0.002 29.621 29.700 -0.128 0.000 0.748 328 E HN 0.415 nan 8.360 nan 0.000 0.449 329 E N -0.243 119.841 120.200 -0.194 0.000 2.110 329 E HA -0.171 4.185 4.350 0.010 0.000 0.193 329 E C 1.683 178.161 176.600 -0.202 0.000 0.988 329 E CA 0.972 57.281 56.400 -0.150 0.000 0.804 329 E CB -0.054 29.594 29.700 -0.088 0.000 0.745 329 E HN 0.314 nan 8.360 nan 0.000 0.458 330 A N 0.238 122.831 122.820 -0.379 0.000 2.169 330 A HA 0.197 4.523 4.320 0.010 0.000 0.212 330 A C 1.476 178.905 177.584 -0.259 0.000 1.153 330 A CA 0.913 52.727 52.037 -0.372 0.000 0.756 330 A CB -0.325 18.240 19.000 -0.726 0.000 0.813 330 A HN 0.374 nan 8.150 nan 0.000 0.471 331 G N -1.052 107.609 108.800 -0.233 0.000 2.333 331 G HA2 -0.098 3.868 3.960 0.010 0.000 0.296 331 G HA3 -0.098 3.868 3.960 0.010 0.000 0.296 331 G C -0.417 174.385 174.900 -0.162 0.000 1.059 331 G CA 0.554 45.556 45.100 -0.165 0.000 1.050 331 G HN 0.887 nan 8.290 nan 0.000 0.508 332 L N 0.228 121.335 121.223 -0.194 0.000 2.386 332 L HA 0.857 5.203 4.340 0.010 0.000 0.271 332 L C 0.039 176.846 176.870 -0.106 0.000 0.993 332 L CA -0.418 54.341 54.840 -0.135 0.000 0.819 332 L CB 2.497 44.477 42.059 -0.131 0.000 1.294 332 L HN 0.114 nan 8.230 nan 0.000 0.414 333 T N 5.342 119.872 114.554 -0.040 0.000 2.815 333 T HA 0.591 4.947 4.350 0.010 0.000 0.289 333 T C -0.529 174.190 174.700 0.032 0.000 1.000 333 T CA -0.310 61.777 62.100 -0.023 0.000 0.958 333 T CB 0.650 69.509 68.868 -0.015 0.000 0.944 333 T HN 0.353 nan 8.240 nan 0.000 0.442 334 L N 3.336 124.588 121.223 0.048 0.000 2.331 334 L HA 0.564 4.910 4.340 0.010 0.000 0.275 334 L C -0.086 176.841 176.870 0.096 0.000 1.022 334 L CA -0.964 53.942 54.840 0.110 0.000 0.812 334 L CB 1.511 43.689 42.059 0.199 0.000 1.257 334 L HN 0.631 nan 8.230 nan 0.000 0.435 335 E N 1.498 121.755 120.200 0.094 0.000 3.406 335 E HA 0.599 4.955 4.350 0.010 0.000 0.210 335 E C -0.149 176.494 176.600 0.073 0.000 1.167 335 E CA -0.386 56.057 56.400 0.072 0.000 1.132 335 E CB 1.347 31.081 29.700 0.056 0.000 1.309 335 E HN 0.700 nan 8.360 nan 0.000 0.424 336 G N 0.721 109.571 108.800 0.084 0.000 2.349 336 G HA2 0.454 4.420 3.960 0.010 0.000 0.294 336 G HA3 0.454 4.420 3.960 0.010 0.000 0.294 336 G C -2.937 172.008 174.900 0.076 0.000 1.380 336 G CA -1.138 44.006 45.100 0.074 0.000 0.811 336 G HN 0.075 nan 8.290 nan 0.000 0.519 337 P HA 0.476 nan 4.420 nan 0.000 0.271 337 P C -0.609 176.726 177.300 0.059 0.000 1.216 337 P CA -0.345 62.789 63.100 0.056 0.000 0.771 337 P CB 1.471 33.199 31.700 0.047 0.000 0.864 338 V N 4.372 124.310 119.914 0.039 0.000 2.409 338 V HA 0.255 4.381 4.120 0.010 0.000 0.291 338 V C -0.098 176.009 176.094 0.023 0.000 1.020 338 V CA -0.742 61.561 62.300 0.005 0.000 0.848 338 V CB 1.489 33.250 31.823 -0.104 0.000 0.990 338 V HN 0.396 nan 8.190 nan 0.000 0.430 339 L N 4.455 125.727 121.223 0.081 0.000 2.276 339 L HA 0.600 4.946 4.340 0.010 0.000 0.286 339 L C -0.264 176.692 176.870 0.143 0.000 1.061 339 L CA 0.300 55.206 54.840 0.110 0.000 0.807 339 L CB 1.261 43.401 42.059 0.135 0.000 1.177 339 L HN 0.664 nan 8.230 nan 0.000 0.429 340 D N 5.331 125.784 120.400 0.090 0.000 2.373 340 D HA 0.285 4.931 4.640 0.010 0.000 0.227 340 D C -0.745 175.625 176.300 0.116 0.000 1.091 340 D CA -0.225 53.827 54.000 0.086 0.000 0.840 340 D CB 0.654 41.470 40.800 0.026 0.000 1.060 340 D HN 0.504 nan 8.370 nan 0.000 0.502 341 R N 3.098 123.710 120.500 0.188 0.000 2.272 341 R HA 0.525 4.871 4.340 0.010 0.000 0.323 341 R C 0.222 176.607 176.300 0.142 0.000 1.002 341 R CA -0.658 55.537 56.100 0.158 0.000 0.900 341 R CB 1.422 31.834 30.300 0.186 0.000 1.151 341 R HN 0.519 nan 8.270 nan 0.000 0.507 342 A N 2.156 125.021 122.820 0.075 0.000 2.783 342 A HA -0.235 4.091 4.320 0.010 0.000 0.292 342 A C 1.240 178.802 177.584 -0.037 0.000 1.495 342 A CA 1.261 53.322 52.037 0.041 0.000 0.787 342 A CB -1.888 17.154 19.000 0.070 0.000 1.017 342 A HN 1.248 nan 8.150 nan 0.000 0.516 343 G N -2.488 106.279 108.800 -0.055 0.000 2.234 343 G HA2 -0.238 3.728 3.960 0.010 0.000 0.235 343 G HA3 -0.238 3.728 3.960 0.010 0.000 0.235 343 G C -0.013 174.747 174.900 -0.233 0.000 0.997 343 G CA 0.457 45.463 45.100 -0.157 0.000 0.623 343 G HN 1.486 nan 8.290 nan 0.000 0.514 344 H N 0.748 119.807 119.070 -0.019 0.000 2.668 344 H HA 0.503 5.065 4.556 0.010 0.000 0.303 344 H C 0.493 175.797 175.328 -0.040 0.000 1.074 344 H CA 0.092 56.134 56.048 -0.009 0.000 1.406 344 H CB 0.812 30.532 29.762 -0.071 0.000 1.442 344 H HN 0.212 nan 8.280 nan 0.000 0.482 345 L N 4.681 125.867 121.223 -0.062 0.000 2.309 345 L HA 0.348 4.694 4.340 0.010 0.000 0.282 345 L C -0.726 175.960 176.870 -0.306 0.000 1.036 345 L CA -0.714 54.041 54.840 -0.142 0.000 0.806 345 L CB 0.761 42.669 42.059 -0.252 0.000 1.220 345 L HN 0.497 nan 8.230 nan 0.000 0.429 346 Y N 2.509 122.859 120.300 0.083 0.000 2.425 346 Y HA 0.383 4.938 4.550 0.009 0.000 0.344 346 Y C -0.326 175.602 175.900 0.047 0.000 0.969 346 Y CA -0.807 57.362 58.100 0.115 0.000 1.052 346 Y CB 2.194 40.730 38.460 0.126 0.000 1.215 346 Y HN 0.340 nan 8.280 nan 0.000 0.451 347 L N 4.939 126.278 121.223 0.193 0.000 2.283 347 L HA 0.400 4.746 4.340 0.010 0.000 0.287 347 L C -0.918 176.041 176.870 0.149 0.000 1.073 347 L CA -0.036 54.888 54.840 0.140 0.000 0.822 347 L CB -0.116 42.023 42.059 0.132 0.000 1.186 347 L HN 0.536 nan 8.230 nan 0.000 0.436 348 L N 7.286 128.581 121.223 0.119 0.000 2.349 348 L HA 0.383 4.729 4.340 0.010 0.000 0.275 348 L C -1.827 175.091 176.870 0.079 0.000 1.115 348 L CA -1.908 52.990 54.840 0.097 0.000 0.820 348 L CB 0.364 42.467 42.059 0.072 0.000 1.135 348 L HN 0.488 nan 8.230 nan 0.000 0.445 349 P HA 0.027 nan 4.420 nan 0.000 0.271 349 P C -0.458 176.870 177.300 0.046 0.000 1.218 349 P CA -0.404 62.735 63.100 0.064 0.000 0.780 349 P CB 0.490 32.232 31.700 0.069 0.000 0.901 350 E N 1.507 121.729 120.200 0.036 0.000 2.465 350 E HA 0.171 4.526 4.350 0.010 0.000 0.260 350 E C 1.014 177.621 176.600 0.013 0.000 0.980 350 E CA 0.847 57.259 56.400 0.020 0.000 0.927 350 E CB -0.514 29.191 29.700 0.008 0.000 0.934 350 E HN 0.770 nan 8.360 nan 0.000 0.459 351 G N 3.517 112.326 108.800 0.014 0.000 2.179 351 G HA2 -0.300 3.666 3.960 0.010 0.000 0.260 351 G HA3 -0.300 3.666 3.960 0.010 0.000 0.260 351 G C 0.079 175.014 174.900 0.058 0.000 0.977 351 G CA 0.157 45.276 45.100 0.033 0.000 0.641 351 G HN 0.574 nan 8.290 nan 0.000 0.533 352 L N 3.281 124.516 121.223 0.019 0.000 2.584 352 L HA 0.415 4.761 4.340 0.010 0.000 0.272 352 L C -1.043 175.769 176.870 -0.096 0.000 1.195 352 L CA -1.157 53.669 54.840 -0.024 0.000 0.920 352 L CB 0.129 42.188 42.059 -0.000 0.000 1.173 352 L HN 0.093 nan 8.230 nan 0.000 0.489 353 P HA 0.048 nan 4.420 nan 0.000 0.274 353 P C -0.559 176.686 177.300 -0.091 0.000 1.256 353 P CA -0.533 62.371 63.100 -0.327 0.000 0.795 353 P CB 0.380 31.611 31.700 -0.782 0.000 1.038 354 T N 0.768 115.319 114.554 -0.004 0.000 2.933 354 T HA 0.044 4.400 4.350 0.010 0.000 0.306 354 T C 1.135 175.926 174.700 0.152 0.000 1.045 354 T CA 0.115 62.251 62.100 0.060 0.000 1.143 354 T CB -0.656 68.240 68.868 0.045 0.000 1.003 354 T HN 0.204 nan 8.240 nan 0.000 0.540 355 L N 4.719 126.002 121.223 0.100 0.000 2.628 355 L HA 0.307 4.653 4.340 0.010 0.000 0.229 355 L C 0.805 177.709 176.870 0.056 0.000 1.137 355 L CA -0.499 54.405 54.840 0.106 0.000 0.909 355 L CB -0.181 41.913 42.059 0.058 0.000 1.137 355 L HN 0.520 nan 8.230 nan 0.000 0.470 356 L N 1.553 122.803 121.223 0.044 0.000 2.601 356 L HA 0.174 4.519 4.340 0.010 0.000 0.277 356 L C 1.289 178.161 176.870 0.002 0.000 1.219 356 L CA 1.323 56.174 54.840 0.019 0.000 0.915 356 L CB 0.203 42.271 42.059 0.016 0.000 1.160 356 L HN 0.363 nan 8.230 nan 0.000 0.494 357 G N 3.681 112.478 108.800 -0.006 0.000 2.184 357 G HA2 -0.253 3.713 3.960 0.010 0.000 0.264 357 G HA3 -0.253 3.713 3.960 0.010 0.000 0.264 357 G C 0.084 174.966 174.900 -0.029 0.000 0.975 357 G CA 0.460 45.548 45.100 -0.020 0.000 0.642 357 G HN 0.634 nan 8.290 nan 0.000 0.536 358 L N -0.152 121.059 121.223 -0.020 0.000 2.334 358 L HA 0.548 4.894 4.340 0.010 0.000 0.276 358 L C 0.598 177.459 176.870 -0.015 0.000 1.014 358 L CA -1.062 53.763 54.840 -0.024 0.000 0.815 358 L CB 1.835 43.888 42.059 -0.010 0.000 1.268 358 L HN 0.094 nan 8.230 nan 0.000 0.428 359 K N 2.124 122.511 120.400 -0.021 0.000 2.339 359 K HA 0.538 4.864 4.320 0.010 0.000 0.286 359 K C -0.605 175.981 176.600 -0.023 0.000 1.050 359 K CA -0.213 56.060 56.287 -0.023 0.000 0.956 359 K CB 0.913 33.397 32.500 -0.026 0.000 0.990 359 K HN 0.718 nan 8.250 nan 0.000 0.475 360 A N 6.572 129.369 122.820 -0.038 0.000 2.646 360 A HA 0.345 4.671 4.320 0.010 0.000 0.312 360 A C -2.179 175.346 177.584 -0.097 0.000 1.245 360 A CA -1.435 50.570 52.037 -0.054 0.000 0.755 360 A CB 0.950 19.916 19.000 -0.056 0.000 1.132 360 A HN 0.650 nan 8.150 nan 0.000 0.458 361 P HA -0.088 nan 4.420 nan 0.000 0.217 361 P C 0.497 177.715 177.300 -0.137 0.000 1.148 361 P CA 2.129 65.172 63.100 -0.095 0.000 0.828 361 P CB 0.357 32.013 31.700 -0.074 0.000 0.783 362 A N -1.846 120.882 122.820 -0.155 0.000 2.599 362 A HA 0.470 4.796 4.320 0.010 0.000 0.281 362 A C -2.313 175.122 177.584 -0.247 0.000 1.137 362 A CA -0.999 50.907 52.037 -0.217 0.000 0.767 362 A CB 0.884 19.889 19.000 0.008 0.000 1.266 362 A HN -0.128 nan 8.150 nan 0.000 0.420 363 P HA 0.080 nan 4.420 nan 0.000 0.222 363 P C 0.974 178.239 177.300 -0.058 0.000 1.147 363 P CA 1.873 64.820 63.100 -0.255 0.000 0.790 363 P CB 0.470 31.969 31.700 -0.336 0.000 0.780 364 G N -1.911 106.923 108.800 0.057 0.000 2.570 364 G HA2 0.364 4.330 3.960 0.010 0.000 0.310 364 G HA3 0.364 4.330 3.960 0.010 0.000 0.310 364 G C -1.850 173.237 174.900 0.313 0.000 1.266 364 G CA -0.659 44.553 45.100 0.187 0.000 0.825 364 G HN 0.085 nan 8.290 nan 0.000 0.483 365 L N 1.044 122.418 121.223 0.252 0.000 2.513 365 L HA 0.445 4.791 4.340 0.010 0.000 0.272 365 L C -0.323 176.729 176.870 0.303 0.000 1.187 365 L CA -0.648 54.334 54.840 0.238 0.000 0.895 365 L CB 0.018 42.166 42.059 0.148 0.000 1.147 365 L HN 0.512 nan 8.230 nan 0.000 0.483 366 Y N 5.710 126.091 120.300 0.136 0.000 2.480 366 Y HA 0.209 4.765 4.550 0.010 0.000 0.341 366 Y C 0.508 176.378 175.900 -0.052 0.000 1.031 366 Y CA -0.376 57.694 58.100 -0.050 0.000 1.295 366 Y CB 0.644 39.103 38.460 -0.002 0.000 1.162 366 Y HN 0.749 nan 8.280 nan 0.000 0.523 367 L N 4.950 125.967 121.223 -0.343 0.000 2.298 367 L HA 0.352 4.698 4.340 0.010 0.000 0.209 367 L C 1.258 177.905 176.870 -0.372 0.000 1.084 367 L CA 0.742 55.469 54.840 -0.188 0.000 0.816 367 L CB -0.359 41.693 42.059 -0.012 0.000 0.967 367 L HN 0.888 nan 8.230 nan 0.000 0.460 368 G N -0.152 108.110 108.800 -0.897 0.000 2.362 368 G HA2 0.037 4.003 3.960 0.010 0.000 0.288 368 G HA3 0.037 4.003 3.960 0.010 0.000 0.288 368 G C -1.818 172.677 174.900 -0.674 0.000 1.305 368 G CA -0.764 43.708 45.100 -1.047 0.000 0.910 368 G HN -0.099 nan 8.290 nan 0.000 0.518 369 K N -0.181 119.754 120.400 -0.776 0.000 2.345 369 K HA 0.665 4.991 4.320 0.010 0.000 0.255 369 K C -0.655 175.718 176.600 -0.378 0.000 0.934 369 K CA -0.711 55.306 56.287 -0.451 0.000 0.801 369 K CB 2.169 34.436 32.500 -0.389 0.000 1.137 369 K HN 0.432 nan 8.250 nan 0.000 0.424 370 V N 4.500 124.343 119.914 -0.119 0.000 2.432 370 V HA 0.190 4.315 4.120 0.010 0.000 0.271 370 V C -0.289 175.755 176.094 -0.083 0.000 1.046 370 V CA -0.142 62.165 62.300 0.011 0.000 0.945 370 V CB 0.993 32.859 31.823 0.073 0.000 0.992 370 V HN 0.783 nan 8.190 nan 0.000 0.471 371 Q N 4.490 124.252 119.800 -0.063 0.000 2.295 371 Q HA 0.350 4.696 4.340 0.010 0.000 0.259 371 Q C -0.551 175.432 176.000 -0.029 0.000 0.966 371 Q CA -0.759 55.005 55.803 -0.066 0.000 0.763 371 Q CB 0.901 29.582 28.738 -0.095 0.000 1.283 371 Q HN 0.730 nan 8.270 nan 0.000 0.445 372 K N 2.777 123.167 120.400 -0.017 0.000 3.257 372 K HA -0.283 4.043 4.320 0.010 0.000 0.270 372 K C 0.550 177.156 176.600 0.009 0.000 0.984 372 K CA 0.729 57.014 56.287 -0.004 0.000 0.739 372 K CB -1.775 30.721 32.500 -0.007 0.000 1.351 372 K HN 1.160 nan 8.250 nan 0.000 0.463 373 G N -0.597 108.215 108.800 0.021 0.000 2.179 373 G HA2 -0.325 3.641 3.960 0.010 0.000 0.260 373 G HA3 -0.325 3.641 3.960 0.010 0.000 0.260 373 G C -0.042 174.890 174.900 0.054 0.000 0.977 373 G CA 0.503 45.624 45.100 0.036 0.000 0.641 373 G HN 0.279 nan 8.290 nan 0.000 0.533 374 R N -0.767 119.762 120.500 0.049 0.000 2.778 374 R HA 0.696 5.042 4.340 0.010 0.000 0.277 374 R C -1.149 175.213 176.300 0.104 0.000 0.977 374 R CA -1.096 55.044 56.100 0.067 0.000 0.950 374 R CB 1.219 31.531 30.300 0.020 0.000 1.165 374 R HN 0.170 nan 8.270 nan 0.000 0.474 375 F N 2.388 122.313 119.950 -0.042 0.000 2.427 375 F HA 0.408 4.941 4.527 0.010 0.000 0.346 375 F C -0.562 175.111 175.800 -0.212 0.000 1.120 375 F CA -0.906 57.029 58.000 -0.109 0.000 1.033 375 F CB 0.799 39.768 39.000 -0.052 0.000 1.126 375 F HN 0.251 nan 8.300 nan 0.000 0.462 376 L N 8.964 129.648 121.223 -0.897 0.000 2.272 376 L HA 0.411 4.757 4.340 0.010 0.000 0.284 376 L C -2.247 173.921 176.870 -1.170 0.000 1.045 376 L CA -2.023 52.361 54.840 -0.761 0.000 0.842 376 L CB 0.748 42.532 42.059 -0.459 0.000 1.224 376 L HN 0.427 nan 8.230 nan 0.000 0.430 377 P HA 0.149 nan 4.420 nan 0.000 0.272 377 P C -0.550 176.400 177.300 -0.583 0.000 1.223 377 P CA -0.341 62.116 63.100 -1.072 0.000 0.784 377 P CB 1.265 32.087 31.700 -1.462 0.000 0.923 378 A N 2.466 125.046 122.820 -0.400 0.000 2.316 378 A HA 0.240 4.566 4.320 0.010 0.000 0.284 378 A C 1.690 179.342 177.584 0.112 0.000 1.115 378 A CA -0.563 51.334 52.037 -0.235 0.000 0.812 378 A CB 0.046 18.697 19.000 -0.583 0.000 1.064 378 A HN 0.608 nan 8.150 nan 0.000 0.489 379 R N 1.544 122.113 120.500 0.116 0.000 2.105 379 R HA -0.190 4.155 4.340 0.010 0.000 0.239 379 R C 2.007 178.320 176.300 0.021 0.000 1.135 379 R CA 1.977 58.135 56.100 0.096 0.000 0.967 379 R CB -0.347 29.999 30.300 0.077 0.000 0.861 379 R HN 0.844 nan 8.270 nan 0.000 0.442 380 A N 0.847 123.698 122.820 0.052 0.000 1.940 380 A HA -0.175 4.150 4.320 0.010 0.000 0.219 380 A C 2.000 179.534 177.584 -0.084 0.000 1.176 380 A CA 1.344 53.398 52.037 0.030 0.000 0.631 380 A CB -0.558 18.524 19.000 0.136 0.000 0.814 380 A HN 0.404 nan 8.150 nan 0.000 0.446 381 L N -0.283 120.884 121.223 -0.095 0.000 2.027 381 L HA -0.015 4.331 4.340 0.010 0.000 0.206 381 L C 2.648 179.080 176.870 -0.729 0.000 1.074 381 L CA 2.187 56.888 54.840 -0.232 0.000 0.745 381 L CB -0.893 41.183 42.059 0.028 0.000 0.898 381 L HN 0.326 nan 8.230 nan 0.000 0.433 382 A N -0.446 122.038 122.820 -0.560 0.000 1.908 382 A HA -0.179 4.147 4.320 0.010 0.000 0.218 382 A C 2.159 179.384 177.584 -0.598 0.000 1.181 382 A CA 1.899 53.432 52.037 -0.840 0.000 0.627 382 A CB -0.919 17.632 19.000 -0.748 0.000 0.818 382 A HN 0.443 nan 8.150 nan 0.000 0.445 383 L N -0.939 120.071 121.223 -0.354 0.000 2.362 383 L HA -0.095 4.251 4.340 0.010 0.000 0.219 383 L C 2.747 179.460 176.870 -0.262 0.000 1.134 383 L CA 1.561 56.267 54.840 -0.223 0.000 0.807 383 L CB -1.328 40.667 42.059 -0.108 0.000 0.927 383 L HN 0.495 nan 8.230 nan 0.000 0.447 384 A N -1.002 121.600 122.820 -0.363 0.000 2.119 384 A HA -0.054 4.272 4.320 0.010 0.000 0.216 384 A C 0.681 178.094 177.584 -0.285 0.000 1.152 384 A CA -0.085 51.783 52.037 -0.282 0.000 0.708 384 A CB -0.346 18.517 19.000 -0.228 0.000 0.805 384 A HN 0.170 nan 8.150 nan 0.000 0.460 385 F N 0.271 120.002 119.950 -0.366 0.000 2.578 385 F HA 0.418 4.952 4.527 0.011 0.000 0.381 385 F C 1.701 176.915 175.800 -0.977 0.000 1.069 385 F CA 0.641 58.222 58.000 -0.700 0.000 1.231 385 F CB -0.227 38.239 39.000 -0.889 0.000 1.086 385 F HN 0.291 nan 8.300 nan 0.000 0.564 386 G N 1.410 109.800 108.800 -0.685 0.000 2.205 386 G HA2 -0.263 3.703 3.960 0.010 0.000 0.261 386 G HA3 -0.263 3.703 3.960 0.010 0.000 0.261 386 G C 0.882 175.751 174.900 -0.051 0.000 0.980 386 G CA 0.583 45.504 45.100 -0.299 0.000 0.632 386 G HN 1.053 nan 8.290 nan 0.000 0.533 387 A N -0.853 121.902 122.820 -0.109 0.000 2.010 387 A HA 0.587 4.913 4.320 0.010 0.000 0.210 387 A C 2.148 179.707 177.584 -0.042 0.000 1.479 387 A CA 2.226 54.217 52.037 -0.077 0.000 0.748 387 A CB -0.129 18.785 19.000 -0.143 0.000 1.125 387 A HN 1.409 nan 8.150 nan 0.000 0.522 388 T N -3.412 111.118 114.554 -0.039 0.000 3.016 388 T HA 0.574 4.930 4.350 0.010 0.000 0.271 388 T C 0.091 174.806 174.700 0.026 0.000 0.968 388 T CA -0.194 61.908 62.100 0.003 0.000 0.891 388 T CB -0.153 68.724 68.868 0.016 0.000 1.149 388 T HN 0.121 nan 8.240 nan 0.000 0.524 389 L N 2.100 123.338 121.223 0.024 0.000 2.354 389 L HA 0.623 4.969 4.340 0.010 0.000 0.264 389 L C -2.490 174.432 176.870 0.087 0.000 1.008 389 L CA -2.895 52.001 54.840 0.093 0.000 0.819 389 L CB 2.550 44.712 42.059 0.172 0.000 1.339 389 L HN -0.100 nan 8.230 nan 0.000 0.420 390 P HA -0.002 nan 4.420 nan 0.000 0.272 390 P C -1.204 176.101 177.300 0.009 0.000 1.230 390 P CA -0.331 62.821 63.100 0.087 0.000 0.788 390 P CB 0.405 32.154 31.700 0.082 0.000 0.949 391 W N 1.873 123.110 121.300 -0.104 0.000 2.170 391 W HA 0.233 4.899 4.660 0.010 0.000 0.336 391 W C -1.476 174.790 176.519 -0.422 0.000 1.283 391 W CA -1.387 55.765 57.345 -0.321 0.000 1.224 391 W CB -0.554 28.784 29.460 -0.204 0.000 1.132 391 W HN 0.283 nan 8.180 nan 0.000 0.571 392 P HA 0.050 nan 4.420 nan 0.000 0.284 392 P C 0.062 177.279 177.300 -0.138 0.000 1.343 392 P CA 0.106 63.017 63.100 -0.315 0.000 0.826 392 P CB 1.171 32.617 31.700 -0.425 0.000 0.956 393 E N 2.441 122.582 120.200 -0.099 0.000 2.481 393 E HA 0.013 4.369 4.350 0.010 0.000 0.195 393 E C 1.800 178.354 176.600 -0.076 0.000 1.047 393 E CA 0.513 56.867 56.400 -0.077 0.000 0.867 393 E CB -0.227 29.434 29.700 -0.066 0.000 0.858 393 E HN 0.606 nan 8.360 nan 0.000 0.513 394 G N 0.177 108.923 108.800 -0.090 0.000 2.986 394 G HA2 0.146 4.112 3.960 0.010 0.000 0.213 394 G HA3 0.146 4.112 3.960 0.010 0.000 0.213 394 G C 0.624 175.493 174.900 -0.052 0.000 1.156 394 G CA -0.236 44.818 45.100 -0.076 0.000 0.763 394 G HN 0.048 nan 8.290 nan 0.000 0.547 395 L N 1.290 122.488 121.223 -0.042 0.000 2.325 395 L HA 0.361 4.707 4.340 0.010 0.000 0.279 395 L C -2.156 174.701 176.870 -0.022 0.000 1.054 395 L CA -2.036 52.806 54.840 0.003 0.000 0.804 395 L CB 1.683 43.788 42.059 0.077 0.000 1.200 395 L HN -0.134 nan 8.230 nan 0.000 0.436 396 P HA 0.083 nan 4.420 nan 0.000 0.265 396 P C -0.893 176.323 177.300 -0.140 0.000 1.193 396 P CA -0.007 63.004 63.100 -0.148 0.000 0.765 396 P CB 0.438 31.915 31.700 -0.371 0.000 0.823 397 R N 3.009 123.433 120.500 -0.126 0.000 2.393 397 R HA 0.499 4.845 4.340 0.010 0.000 0.315 397 R C -0.982 175.260 176.300 -0.096 0.000 0.952 397 R CA -0.553 55.494 56.100 -0.088 0.000 0.842 397 R CB 0.463 30.715 30.300 -0.080 0.000 1.163 397 R HN 0.457 nan 8.270 nan 0.000 0.450 398 L N 3.705 124.861 121.223 -0.112 0.000 2.325 398 L HA 0.640 4.986 4.340 0.010 0.000 0.281 398 L C -0.195 176.647 176.870 -0.047 0.000 1.004 398 L CA -0.947 53.844 54.840 -0.082 0.000 0.823 398 L CB 1.920 43.792 42.059 -0.311 0.000 1.236 398 L HN 0.647 nan 8.230 nan 0.000 0.415 399 A N 5.092 127.938 122.820 0.044 0.000 2.312 399 A HA 0.881 5.207 4.320 0.010 0.000 0.326 399 A C -0.655 176.964 177.584 0.058 0.000 1.172 399 A CA -0.423 51.632 52.037 0.030 0.000 0.821 399 A CB 0.935 19.948 19.000 0.021 0.000 1.166 399 A HN 0.690 nan 8.150 nan 0.000 0.493 400 L N 1.396 122.638 121.223 0.033 0.000 2.370 400 L HA 0.580 4.926 4.340 0.010 0.000 0.266 400 L C 0.635 177.541 176.870 0.061 0.000 1.002 400 L CA -0.791 54.075 54.840 0.043 0.000 0.818 400 L CB 2.557 44.621 42.059 0.008 0.000 1.325 400 L HN 0.884 nan 8.230 nan 0.000 0.418 401 T N -2.319 112.266 114.554 0.052 0.000 2.918 401 T HA 0.352 4.708 4.350 0.010 0.000 0.283 401 T C -2.103 172.621 174.700 0.039 0.000 1.001 401 T CA -1.809 60.326 62.100 0.059 0.000 1.041 401 T CB 1.597 70.486 68.868 0.036 0.000 1.028 401 T HN 0.316 nan 8.240 nan 0.000 0.511 402 P HA 0.039 nan 4.420 nan 0.000 0.221 402 P C 0.941 178.141 177.300 -0.166 0.000 1.150 402 P CA 0.746 63.790 63.100 -0.093 0.000 0.800 402 P CB 0.081 31.690 31.700 -0.152 0.000 0.787 403 E N -0.678 119.472 120.200 -0.083 0.000 2.285 403 E HA -0.065 4.291 4.350 0.010 0.000 0.194 403 E C 0.719 177.287 176.600 -0.053 0.000 0.997 403 E CA 0.470 56.826 56.400 -0.074 0.000 0.845 403 E CB -0.716 28.961 29.700 -0.039 0.000 0.782 403 E HN 0.210 nan 8.360 nan 0.000 0.491 404 D N 0.798 121.178 120.400 -0.033 0.000 2.358 404 D HA -0.011 4.635 4.640 0.010 0.000 0.258 404 D C -1.572 174.719 176.300 -0.015 0.000 1.223 404 D CA -2.079 51.914 54.000 -0.011 0.000 0.886 404 D CB 1.113 41.919 40.800 0.010 0.000 1.120 404 D HN -0.078 nan 8.370 nan 0.000 0.482 405 P HA -0.093 nan 4.420 nan 0.000 0.228 405 P C 1.059 178.371 177.300 0.020 0.000 1.151 405 P CA 0.531 63.627 63.100 -0.006 0.000 0.770 405 P CB 0.345 32.045 31.700 0.001 0.000 0.786 406 R N 0.081 120.605 120.500 0.039 0.000 2.159 406 R HA -0.065 4.281 4.340 0.010 0.000 0.237 406 R C 2.384 178.742 176.300 0.097 0.000 1.131 406 R CA 1.346 57.491 56.100 0.076 0.000 0.982 406 R CB -0.816 29.536 30.300 0.088 0.000 0.868 406 R HN 0.173 nan 8.270 nan 0.000 0.453 407 A N 1.317 124.174 122.820 0.062 0.000 1.858 407 A HA -0.171 4.155 4.320 0.010 0.000 0.216 407 A C 2.075 179.720 177.584 0.103 0.000 1.190 407 A CA 1.116 53.203 52.037 0.083 0.000 0.617 407 A CB -0.524 18.501 19.000 0.042 0.000 0.827 407 A HN 0.240 nan 8.150 nan 0.000 0.443 408 L N -0.274 120.967 121.223 0.031 0.000 2.046 408 L HA -0.054 4.292 4.340 0.010 0.000 0.208 408 L C 2.660 179.508 176.870 -0.037 0.000 1.077 408 L CA 2.148 56.985 54.840 -0.005 0.000 0.747 408 L CB -0.781 41.266 42.059 -0.021 0.000 0.896 408 L HN 0.364 nan 8.230 nan 0.000 0.432 409 A N -0.833 121.996 122.820 0.014 0.000 1.858 409 A HA -0.275 4.051 4.320 0.010 0.000 0.216 409 A C 2.307 179.907 177.584 0.027 0.000 1.190 409 A CA 1.894 53.937 52.037 0.010 0.000 0.617 409 A CB -1.281 17.746 19.000 0.046 0.000 0.827 409 A HN 0.542 nan 8.150 nan 0.000 0.443 410 F N 1.017 120.946 119.950 -0.034 0.000 2.126 410 F HA -0.097 4.437 4.527 0.011 0.000 0.299 410 F C 2.388 178.161 175.800 -0.046 0.000 1.096 410 F CA 1.467 59.453 58.000 -0.024 0.000 1.255 410 F CB -0.218 38.782 39.000 0.001 0.000 0.997 410 F HN 0.227 nan 8.300 nan 0.000 0.479 411 A N -0.865 121.998 122.820 0.073 0.000 2.119 411 A HA -0.075 4.251 4.320 0.010 0.000 0.217 411 A C 1.783 179.198 177.584 -0.282 0.000 1.153 411 A CA 1.602 53.620 52.037 -0.032 0.000 0.692 411 A CB -1.258 17.795 19.000 0.087 0.000 0.799 411 A HN 0.484 nan 8.150 nan 0.000 0.458 412 T N -5.491 108.864 114.554 -0.332 0.000 3.174 412 T HA 0.472 4.828 4.350 0.010 0.000 0.269 412 T C 1.065 175.640 174.700 -0.209 0.000 1.017 412 T CA 0.872 62.762 62.100 -0.351 0.000 0.899 412 T CB 0.315 68.939 68.868 -0.407 0.000 1.077 412 T HN 1.497 nan 8.240 nan 0.000 0.552 413 G N 1.062 109.720 108.800 -0.237 0.000 2.184 413 G HA2 -0.173 3.793 3.960 0.010 0.000 0.206 413 G HA3 -0.173 3.793 3.960 0.010 0.000 0.206 413 G C -0.322 174.481 174.900 -0.162 0.000 0.995 413 G CA -0.423 44.553 45.100 -0.206 0.000 0.651 413 G HN 0.610 nan 8.290 nan 0.000 0.511 414 E N 0.429 120.553 120.200 -0.128 0.000 2.277 414 E HA 0.514 4.870 4.350 0.010 0.000 0.274 414 E C 0.876 177.474 176.600 -0.003 0.000 1.022 414 E CA -0.270 56.101 56.400 -0.049 0.000 0.853 414 E CB 1.304 30.995 29.700 -0.015 0.000 1.086 414 E HN 0.331 nan 8.360 nan 0.000 0.397 415 G N 0.824 109.642 108.800 0.030 0.000 2.483 415 G HA2 0.380 4.346 3.960 0.010 0.000 0.248 415 G HA3 0.380 4.346 3.960 0.010 0.000 0.248 415 G C -0.188 174.785 174.900 0.121 0.000 1.248 415 G CA -0.374 44.780 45.100 0.090 0.000 0.838 415 G HN 0.302 nan 8.290 nan 0.000 0.566 416 V N -0.565 119.453 119.914 0.174 0.000 2.962 416 V HA 0.895 5.021 4.120 0.010 0.000 0.313 416 V C 0.421 176.625 176.094 0.184 0.000 1.099 416 V CA -0.936 61.464 62.300 0.166 0.000 0.971 416 V CB 1.281 33.217 31.823 0.188 0.000 1.028 416 V HN 1.349 nan 8.190 nan 0.000 0.430 417 A N 3.486 126.402 122.820 0.160 0.000 2.483 417 A HA 0.487 4.813 4.320 0.010 0.000 0.238 417 A C -0.442 177.308 177.584 0.277 0.000 1.070 417 A CA -0.245 51.895 52.037 0.173 0.000 0.770 417 A CB 0.278 19.340 19.000 0.103 0.000 1.008 417 A HN 1.509 nan 8.150 nan 0.000 0.497 418 W N 2.203 123.522 121.300 0.032 0.000 2.830 418 W HA 0.439 5.105 4.660 0.010 0.000 0.335 418 W C -1.036 175.497 176.519 0.023 0.000 1.043 418 W CA -0.419 56.944 57.345 0.030 0.000 1.239 418 W CB 1.662 31.150 29.460 0.047 0.000 1.378 418 W HN 0.856 nan 8.180 nan 0.000 0.456 419 E N 2.765 122.547 120.200 -0.695 0.000 2.481 419 E HA 0.191 4.547 4.350 0.010 0.000 0.198 419 E C 1.182 177.351 176.600 -0.717 0.000 1.027 419 E CA 0.035 56.107 56.400 -0.546 0.000 0.900 419 E CB 0.950 30.436 29.700 -0.358 0.000 0.993 419 E HN 0.454 nan 8.360 nan 0.000 0.482 420 G N 0.024 107.982 108.800 -1.403 0.000 2.641 420 G HA2 0.210 4.176 3.960 0.010 0.000 0.239 420 G HA3 0.210 4.176 3.960 0.010 0.000 0.239 420 G C -0.044 174.809 174.900 -0.079 0.000 1.402 420 G CA -0.584 44.108 45.100 -0.679 0.000 1.046 420 G HN -0.089 nan 8.290 nan 0.000 0.565 421 E N 0.524 120.844 120.200 0.201 0.000 2.345 421 E HA 0.194 4.550 4.350 0.010 0.000 0.259 421 E C -0.590 176.030 176.600 0.034 0.000 1.117 421 E CA -0.457 55.982 56.400 0.066 0.000 0.913 421 E CB 0.634 30.291 29.700 -0.072 0.000 1.057 421 E HN 0.286 nan 8.360 nan 0.000 0.432 422 D N 1.316 121.661 120.400 -0.091 0.000 2.423 422 D HA 0.093 4.739 4.640 0.010 0.000 0.238 422 D C -0.203 175.822 176.300 -0.458 0.000 1.142 422 D CA 0.701 54.628 54.000 -0.121 0.000 0.884 422 D CB 0.353 41.123 40.800 -0.049 0.000 1.199 422 D HN 0.230 nan 8.370 nan 0.000 0.438 423 H N 1.056 120.156 119.070 0.051 0.000 3.018 423 H HA 0.171 4.733 4.556 0.010 0.000 0.334 423 H C -1.841 173.500 175.328 0.022 0.000 0.983 423 H CA -1.329 54.737 56.048 0.030 0.000 1.363 423 H CB 1.994 31.755 29.762 -0.001 0.000 1.668 423 H HN 0.090 nan 8.280 nan 0.000 0.513 424 P HA -0.118 nan 4.420 nan 0.000 0.216 424 P C -0.037 177.326 177.300 0.106 0.000 1.150 424 P CA 0.884 64.039 63.100 0.092 0.000 0.837 424 P CB 0.648 32.392 31.700 0.075 0.000 0.786 425 L N -2.009 119.295 121.223 0.135 0.000 2.516 425 L HA 0.710 5.056 4.340 0.010 0.000 0.267 425 L C -1.514 175.456 176.870 0.167 0.000 0.957 425 L CA -0.934 53.997 54.840 0.153 0.000 0.860 425 L CB 1.537 43.685 42.059 0.148 0.000 1.265 425 L HN -0.169 nan 8.230 nan 0.000 0.403 426 A N 3.814 126.743 122.820 0.181 0.000 2.527 426 A HA 0.836 5.162 4.320 0.010 0.000 0.293 426 A C -2.006 175.707 177.584 0.214 0.000 1.117 426 A CA -0.612 51.484 52.037 0.099 0.000 0.723 426 A CB 1.637 20.573 19.000 -0.107 0.000 1.313 426 A HN 0.740 nan 8.150 nan 0.000 0.411 427 L N 1.529 122.827 121.223 0.124 0.000 2.272 427 L HA 0.619 4.965 4.340 0.010 0.000 0.289 427 L C -0.824 176.053 176.870 0.011 0.000 1.032 427 L CA -0.194 54.702 54.840 0.092 0.000 0.810 427 L CB 1.241 43.372 42.059 0.120 0.000 1.205 427 L HN 0.409 nan 8.230 nan 0.000 0.422 428 V N 6.112 126.019 119.914 -0.011 0.000 2.439 428 V HA 0.600 4.726 4.120 0.010 0.000 0.282 428 V C -0.026 176.063 176.094 -0.009 0.000 1.039 428 V CA -0.389 61.830 62.300 -0.134 0.000 0.913 428 V CB 1.472 33.016 31.823 -0.465 0.000 0.983 428 V HN 0.663 nan 8.190 nan 0.000 0.460 429 V N 3.539 123.456 119.914 0.004 0.000 3.001 429 V HA 0.739 4.865 4.120 0.010 0.000 0.314 429 V C -0.866 175.289 176.094 0.102 0.000 1.099 429 V CA -1.170 61.197 62.300 0.113 0.000 0.989 429 V CB 2.051 33.961 31.823 0.145 0.000 1.040 429 V HN 0.598 nan 8.190 nan 0.000 0.434 430 L N 2.752 124.092 121.223 0.196 0.000 2.264 430 L HA 0.547 4.893 4.340 0.010 0.000 0.289 430 L C 0.138 177.131 176.870 0.205 0.000 1.044 430 L CA -0.020 54.957 54.840 0.229 0.000 0.807 430 L CB 0.892 43.168 42.059 0.363 0.000 1.192 430 L HN 0.940 nan 8.230 nan 0.000 0.425 431 K N 3.382 123.864 120.400 0.136 0.000 2.227 431 K HA 0.583 4.908 4.320 0.010 0.000 0.280 431 K C -0.534 176.145 176.600 0.133 0.000 1.041 431 K CA -0.242 56.092 56.287 0.078 0.000 0.905 431 K CB 0.700 33.216 32.500 0.028 0.000 1.068 431 K HN 0.812 nan 8.250 nan 0.000 0.470 432 T N -0.110 114.515 114.554 0.119 0.000 2.865 432 T HA 0.462 4.818 4.350 0.010 0.000 0.294 432 T C 0.720 175.464 174.700 0.074 0.000 1.119 432 T CA -0.485 61.714 62.100 0.164 0.000 1.007 432 T CB 1.534 70.584 68.868 0.304 0.000 1.225 432 T HN 0.398 nan 8.240 nan 0.000 0.515 433 A N 0.120 122.981 122.820 0.068 0.000 2.172 433 A HA 0.466 4.792 4.320 0.010 0.000 0.216 433 A C 2.104 179.703 177.584 0.025 0.000 1.154 433 A CA 1.201 53.253 52.037 0.025 0.000 0.701 433 A CB -1.089 17.918 19.000 0.011 0.000 0.789 433 A HN 1.330 nan 8.150 nan 0.000 0.465 434 A N -1.448 121.417 122.820 0.074 0.000 2.308 434 A HA 0.524 4.850 4.320 0.010 0.000 0.217 434 A C 1.167 178.762 177.584 0.019 0.000 1.216 434 A CA 0.986 53.087 52.037 0.107 0.000 0.864 434 A CB -0.651 18.481 19.000 0.220 0.000 0.902 434 A HN 1.925 nan 8.150 nan 0.000 0.499 435 G N -0.770 107.960 108.800 -0.116 0.000 2.373 435 G HA2 0.034 4.000 3.960 0.010 0.000 0.634 435 G HA3 0.034 4.000 3.960 0.010 0.000 0.634 435 G C -1.018 173.549 174.900 -0.555 0.000 1.267 435 G CA -0.719 44.175 45.100 -0.343 0.000 1.008 435 G HN 0.283 nan 8.290 nan 0.000 0.497 436 E N -0.617 119.232 120.200 -0.586 0.000 2.216 436 E HA 0.616 4.972 4.350 0.010 0.000 0.279 436 E C -1.113 175.204 176.600 -0.472 0.000 0.997 436 E CA -0.283 55.867 56.400 -0.417 0.000 0.817 436 E CB 1.274 30.796 29.700 -0.296 0.000 1.096 436 E HN 0.293 nan 8.360 nan 0.000 0.393 437 F N 2.930 123.033 119.950 0.255 0.000 2.529 437 F HA 0.317 4.850 4.527 0.010 0.000 0.320 437 F C -2.141 173.794 175.800 0.225 0.000 1.118 437 F CA -2.776 55.373 58.000 0.248 0.000 0.915 437 F CB 1.529 40.600 39.000 0.119 0.000 1.161 437 F HN 0.232 nan 8.300 nan 0.000 0.445 438 P HA 0.185 nan 4.420 nan 0.000 0.271 438 P C 0.036 177.430 177.300 0.157 0.000 1.218 438 P CA 0.020 63.228 63.100 0.181 0.000 0.780 438 P CB 1.665 33.363 31.700 -0.003 0.000 0.901 439 L N 0.290 121.612 121.223 0.166 0.000 2.445 439 L HA 0.350 4.696 4.340 0.010 0.000 0.207 439 L C 0.865 177.849 176.870 0.189 0.000 1.053 439 L CA 0.812 55.784 54.840 0.219 0.000 0.841 439 L CB 0.051 42.312 42.059 0.337 0.000 1.074 439 L HN 0.399 nan 8.230 nan 0.000 0.479 440 D N -2.481 118.030 120.400 0.184 0.000 2.926 440 D HA 0.190 4.836 4.640 0.010 0.000 0.282 440 D C -1.419 174.915 176.300 0.057 0.000 1.201 440 D CA -0.574 53.488 54.000 0.103 0.000 0.735 440 D CB 0.921 41.814 40.800 0.154 0.000 1.257 440 D HN -0.292 nan 8.370 nan 0.000 0.428 441 F N 0.578 120.646 119.950 0.197 0.000 2.459 441 F HA 0.563 5.096 4.527 0.010 0.000 0.346 441 F C 1.488 177.427 175.800 0.231 0.000 1.128 441 F CA 0.765 58.882 58.000 0.195 0.000 1.268 441 F CB 1.260 40.342 39.000 0.136 0.000 1.161 441 F HN 0.245 nan 8.300 nan 0.000 0.583 442 G N 1.555 110.589 108.800 0.390 0.000 2.619 442 G HA2 0.573 4.539 3.960 0.010 0.000 0.296 442 G HA3 0.573 4.539 3.960 0.010 0.000 0.296 442 G C -1.972 173.027 174.900 0.166 0.000 1.334 442 G CA -0.939 44.344 45.100 0.305 0.000 0.934 442 G HN 0.554 nan 8.290 nan 0.000 0.476 443 K N 0.159 120.628 120.400 0.115 0.000 2.463 443 K HA 0.677 5.003 4.320 0.010 0.000 0.255 443 K C -0.665 175.943 176.600 0.013 0.000 0.942 443 K CA -0.675 55.652 56.287 0.067 0.000 0.814 443 K CB 1.731 34.271 32.500 0.066 0.000 1.122 443 K HN 0.642 nan 8.250 nan 0.000 0.425 444 A N 3.911 126.718 122.820 -0.023 0.000 2.288 444 A HA 0.579 4.905 4.320 0.010 0.000 0.320 444 A C -1.099 176.506 177.584 0.035 0.000 1.217 444 A CA -0.538 51.453 52.037 -0.076 0.000 0.840 444 A CB 0.920 19.735 19.000 -0.308 0.000 1.179 444 A HN 0.609 nan 8.150 nan 0.000 0.504 445 K N 1.595 122.038 120.400 0.073 0.000 2.553 445 K HA 0.481 4.807 4.320 0.010 0.000 0.250 445 K C -0.176 176.482 176.600 0.096 0.000 0.953 445 K CA -0.407 55.925 56.287 0.074 0.000 0.800 445 K CB 0.769 33.301 32.500 0.052 0.000 1.243 445 K HN 0.647 nan 8.250 nan 0.000 0.435 446 R N 3.018 123.573 120.500 0.091 0.000 3.333 446 R HA -0.239 4.107 4.340 0.010 0.000 0.256 446 R C 0.424 176.787 176.300 0.106 0.000 1.010 446 R CA 0.990 57.139 56.100 0.081 0.000 0.680 446 R CB -1.978 28.356 30.300 0.056 0.000 1.102 446 R HN 1.218 nan 8.270 nan 0.000 0.440 447 G N -1.747 107.153 108.800 0.166 0.000 2.159 447 G HA2 -0.305 3.660 3.960 0.010 0.000 0.256 447 G HA3 -0.305 3.660 3.960 0.010 0.000 0.256 447 G C 0.032 175.067 174.900 0.224 0.000 0.977 447 G CA 0.064 45.275 45.100 0.185 0.000 0.652 447 G HN 0.319 nan 8.290 nan 0.000 0.531 448 V N 0.646 120.686 119.914 0.209 0.000 2.531 448 V HA 0.719 4.845 4.120 0.010 0.000 0.301 448 V C -0.160 176.022 176.094 0.146 0.000 1.034 448 V CA -0.931 61.477 62.300 0.179 0.000 0.865 448 V CB 1.837 33.730 31.823 0.116 0.000 0.995 448 V HN 0.473 nan 8.190 nan 0.000 0.424 449 L N 6.304 127.611 121.223 0.140 0.000 2.280 449 L HA 0.648 4.994 4.340 0.010 0.000 0.287 449 L C -0.084 176.894 176.870 0.179 0.000 1.023 449 L CA 0.132 54.986 54.840 0.023 0.000 0.819 449 L CB 0.812 42.770 42.059 -0.168 0.000 1.212 449 L HN 0.612 nan 8.230 nan 0.000 0.420 450 R N 6.059 126.661 120.500 0.170 0.000 2.637 450 R HA 0.567 4.913 4.340 0.010 0.000 0.291 450 R C -2.520 173.876 176.300 0.161 0.000 0.963 450 R CA -1.918 54.270 56.100 0.148 0.000 0.901 450 R CB 1.564 31.902 30.300 0.063 0.000 1.160 450 R HN 0.473 nan 8.270 nan 0.000 0.457 451 P HA 0.013 nan 4.420 nan 0.000 0.276 451 P C 0.353 177.591 177.300 -0.104 0.000 1.235 451 P CA -0.048 62.824 63.100 -0.379 0.000 0.772 451 P CB 1.219 32.363 31.700 -0.926 0.000 0.871 452 V N 0.139 120.068 119.914 0.025 0.000 3.398 452 V HA 0.400 4.526 4.120 0.010 0.000 0.298 452 V C 0.851 176.969 176.094 0.040 0.000 1.496 452 V CA 0.292 62.610 62.300 0.031 0.000 1.044 452 V CB -0.229 31.623 31.823 0.047 0.000 0.880 452 V HN 0.494 nan 8.190 nan 0.000 0.443 453 G N 2.089 110.960 108.800 0.118 0.000 2.305 453 G HA2 0.407 4.373 3.960 0.010 0.000 0.243 453 G HA3 0.407 4.373 3.960 0.010 0.000 0.243 453 G C 0.078 175.003 174.900 0.041 0.000 1.288 453 G CA 0.543 45.728 45.100 0.141 0.000 0.901 453 G HN 1.147 nan 8.290 nan 0.000 0.516 454 V N 1.649 121.554 119.914 -0.015 0.000 2.811 454 V HA 0.694 4.820 4.120 0.010 0.000 0.302 454 V C 1.007 177.202 176.094 0.167 0.000 1.063 454 V CA -0.351 61.980 62.300 0.051 0.000 1.088 454 V CB 0.745 32.590 31.823 0.038 0.000 0.982 454 V HN 0.855 nan 8.190 nan 0.000 0.485 455 G N 2.906 111.811 108.800 0.175 0.000 2.476 455 G HA2 0.503 4.469 3.960 0.010 0.000 0.269 455 G HA3 0.503 4.469 3.960 0.010 0.000 0.269 455 G C -0.748 174.264 174.900 0.187 0.000 1.195 455 G CA -0.789 44.403 45.100 0.154 0.000 0.843 455 G HN 1.024 nan 8.290 nan 0.000 0.545 456 L N 1.612 122.916 121.223 0.134 0.000 2.283 456 L HA 0.549 4.895 4.340 0.010 0.000 0.287 456 L C 0.484 177.289 176.870 -0.108 0.000 1.073 456 L CA -0.069 54.780 54.840 0.015 0.000 0.822 456 L CB -0.171 41.951 42.059 0.105 0.000 1.186 456 L HN 0.568 nan 8.230 nan 0.000 0.436 457 R N 2.623 122.947 120.500 -0.293 0.000 2.799 457 R HA 0.509 4.855 4.340 0.010 0.000 0.270 457 R C -0.724 175.253 176.300 -0.538 0.000 1.010 457 R CA -0.965 54.913 56.100 -0.369 0.000 0.916 457 R CB 1.903 31.967 30.300 -0.392 0.000 1.228 457 R HN 0.478 nan 8.270 nan 0.000 0.469 458 S N 1.841 117.317 115.700 -0.373 0.000 2.455 458 S HA 0.195 4.671 4.470 0.010 0.000 0.278 458 S C -0.244 174.129 174.600 -0.379 0.000 1.216 458 S CA -0.410 57.610 58.200 -0.300 0.000 1.055 458 S CB -0.054 63.053 63.200 -0.156 0.000 0.939 458 S HN 0.326 nan 8.310 nan 0.000 0.494 459 H N 1.166 120.154 119.070 -0.137 0.000 2.530 459 H HA 0.372 4.935 4.556 0.011 0.000 0.342 459 H C 1.407 176.696 175.328 -0.066 0.000 1.312 459 H CA -0.049 55.927 56.048 -0.121 0.000 1.376 459 H CB -0.058 29.591 29.762 -0.188 0.000 1.692 459 H HN 0.836 nan 8.280 nan 0.000 0.622 460 H N 0.000 119.136 119.070 0.111 0.000 2.539 460 H HA 0.000 4.562 4.556 0.010 0.000 0.296 460 H CA 0.000 56.081 56.048 0.055 0.000 1.023 460 H CB 0.000 nan 29.762 nan 0.000 1.292 460 H HN 0.000 nan 8.280 nan 0.000 0.496