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 2og7_1_A DATA FIRST_RESID 11 DATA SEQUENCE RYDVTLDQSD AELVEEIAWK LATQATGRPD DAEWVEAARN AWHAWPATLR DATA SEQUENCE RDLAGFRRDS GPDGAIVLRG LPVDSMGLPP TPRVNGSVQR EASLGAAVLL DATA SEQUENCE MTACGLGDPG AFLPEKNGAL VQDVVPVPGM EEFQGNAGST LLTFHNENAF DATA SEQUENCE HEHRPDFVML LCLRADPTGR AGLRTACVRR VLPLLSDSTV DALWAPEFRT DATA SEQUENCE APPPSFQLSG PEEAPAPVLL GDRSDPDLRV DLAATEPVTE RAAEALRELQ DATA SEQUENCE AHFDATAVTH RLLPGELAIV DNRVTVHGRT EFTPRYDGTD RWLQRTFVLT DATA SEQUENCE DLRRSRAMRP ADGYVLGAA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 175.981 176.300 -0.532 0.000 0.893 11 R CA 0.000 55.883 56.100 -0.362 0.000 0.921 11 R CB 0.000 30.059 30.300 -0.402 0.000 0.687 12 Y N 0.613 120.948 120.300 0.057 0.000 2.612 12 Y HA 0.430 4.981 4.550 0.001 0.000 0.250 12 Y C -0.075 175.827 175.900 0.004 0.000 1.175 12 Y CA -0.829 57.297 58.100 0.043 0.000 1.205 12 Y CB 0.926 39.445 38.460 0.099 0.000 1.201 12 Y HN 0.090 nan 8.280 nan 0.000 0.532 13 D N 0.802 121.250 120.400 0.081 0.000 2.386 13 D HA 0.356 4.996 4.640 0.001 0.000 0.247 13 D C -1.574 174.732 176.300 0.010 0.000 1.336 13 D CA -0.140 53.890 54.000 0.050 0.000 0.976 13 D CB 1.621 42.464 40.800 0.072 0.000 1.257 13 D HN -0.166 nan 8.370 nan 0.000 0.570 14 V N 3.482 123.393 119.914 -0.006 0.000 2.350 14 V HA 0.397 4.518 4.120 0.001 0.000 0.285 14 V C 0.366 176.455 176.094 -0.009 0.000 1.014 14 V CA -0.533 61.760 62.300 -0.013 0.000 0.831 14 V CB 1.682 33.495 31.823 -0.016 0.000 1.000 14 V HN 0.489 nan 8.190 nan 0.000 0.433 15 T N 6.527 121.075 114.554 -0.009 0.000 2.733 15 T HA 0.505 4.856 4.350 0.001 0.000 0.294 15 T C -0.043 174.646 174.700 -0.019 0.000 0.956 15 T CA -0.358 61.734 62.100 -0.013 0.000 0.987 15 T CB 0.753 69.615 68.868 -0.011 0.000 0.920 15 T HN 0.259 nan 8.240 nan 0.000 0.470 16 L N 5.047 126.254 121.223 -0.027 0.000 2.490 16 L HA 0.165 4.506 4.340 0.001 0.000 0.274 16 L C 0.960 177.806 176.870 -0.040 0.000 1.201 16 L CA -0.061 54.755 54.840 -0.039 0.000 0.869 16 L CB -0.000 42.020 42.059 -0.064 0.000 1.123 16 L HN 0.673 nan 8.230 nan 0.000 0.484 17 D N 1.509 121.885 120.400 -0.040 0.000 2.377 17 D HA 0.008 4.648 4.640 0.001 0.000 0.245 17 D C 0.703 176.975 176.300 -0.046 0.000 1.196 17 D CA -0.436 53.542 54.000 -0.037 0.000 0.962 17 D CB 0.436 41.217 40.800 -0.032 0.000 1.127 17 D HN 0.587 nan 8.370 nan 0.000 0.471 18 Q N -0.003 119.773 119.800 -0.040 0.000 2.096 18 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 18 Q C 1.830 177.799 176.000 -0.052 0.000 0.982 18 Q CA 1.931 57.709 55.803 -0.042 0.000 0.850 18 Q CB -0.137 28.581 28.738 -0.033 0.000 0.901 18 Q HN 0.577 nan 8.270 nan 0.000 0.422 19 S N 0.171 115.841 115.700 -0.051 0.000 2.348 19 S HA -0.172 4.298 4.470 0.001 0.000 0.221 19 S C 1.383 175.936 174.600 -0.079 0.000 1.033 19 S CA 1.658 59.824 58.200 -0.057 0.000 1.010 19 S CB -0.315 62.856 63.200 -0.048 0.000 0.891 19 S HN 0.436 nan 8.310 nan 0.000 0.442 20 D N 1.444 121.793 120.400 -0.085 0.000 2.117 20 D HA 0.014 4.655 4.640 0.001 0.000 0.197 20 D C 2.261 178.462 176.300 -0.166 0.000 0.987 20 D CA 1.312 55.239 54.000 -0.121 0.000 0.829 20 D CB -0.751 39.990 40.800 -0.099 0.000 0.961 20 D HN 0.495 nan 8.370 nan 0.000 0.460 21 A N 1.058 123.800 122.820 -0.130 0.000 1.908 21 A HA -0.229 4.091 4.320 0.001 0.000 0.218 21 A C 2.076 179.584 177.584 -0.127 0.000 1.181 21 A CA 1.620 53.576 52.037 -0.135 0.000 0.627 21 A CB -0.576 18.372 19.000 -0.088 0.000 0.818 21 A HN 0.221 nan 8.150 nan 0.000 0.445 22 E N -0.925 119.218 120.200 -0.095 0.000 2.106 22 E HA -0.161 4.190 4.350 0.001 0.000 0.192 22 E C 1.928 178.473 176.600 -0.091 0.000 0.984 22 E CA 1.096 57.453 56.400 -0.071 0.000 0.806 22 E CB -0.208 29.458 29.700 -0.055 0.000 0.750 22 E HN 0.505 nan 8.360 nan 0.000 0.458 23 L N 0.585 121.729 121.223 -0.132 0.000 2.027 23 L HA -0.123 4.218 4.340 0.001 0.000 0.206 23 L C 2.162 178.886 176.870 -0.242 0.000 1.074 23 L CA 1.391 56.137 54.840 -0.156 0.000 0.745 23 L CB -0.386 41.578 42.059 -0.159 0.000 0.898 23 L HN -0.067 nan 8.230 nan 0.000 0.433 24 V N -0.058 119.627 119.914 -0.382 0.000 2.343 24 V HA -0.290 3.830 4.120 0.001 0.000 0.247 24 V C 2.585 178.477 176.094 -0.337 0.000 1.051 24 V CA 1.880 63.813 62.300 -0.611 0.000 1.036 24 V CB -0.700 30.577 31.823 -0.910 0.000 0.654 24 V HN 0.597 nan 8.190 nan 0.000 0.451 25 E N 0.305 120.395 120.200 -0.183 0.000 2.049 25 E HA -0.327 4.023 4.350 0.001 0.000 0.198 25 E C 2.284 178.977 176.600 0.154 0.000 1.007 25 E CA 1.981 58.380 56.400 -0.002 0.000 0.809 25 E CB -0.173 29.582 29.700 0.091 0.000 0.749 25 E HN 0.722 nan 8.360 nan 0.000 0.450 26 E N 0.131 120.380 120.200 0.080 0.000 2.058 26 E HA -0.224 4.127 4.350 0.001 0.000 0.194 26 E C 2.171 178.816 176.600 0.076 0.000 0.997 26 E CA 1.602 58.060 56.400 0.097 0.000 0.801 26 E CB -0.153 29.552 29.700 0.007 0.000 0.746 26 E HN 0.370 nan 8.360 nan 0.000 0.450 27 I N 0.795 121.350 120.570 -0.025 0.000 2.179 27 I HA -0.254 3.916 4.170 0.001 0.000 0.242 27 I C 2.575 178.694 176.117 0.003 0.000 1.088 27 I CA 1.078 62.364 61.300 -0.024 0.000 1.357 27 I CB -0.318 37.631 38.000 -0.084 0.000 1.051 27 I HN 0.189 nan 8.210 nan 0.000 0.409 28 A N 0.028 122.822 122.820 -0.044 0.000 1.902 28 A HA -0.217 4.103 4.320 0.001 0.000 0.217 28 A C 2.027 179.558 177.584 -0.088 0.000 1.181 28 A CA 1.306 53.294 52.037 -0.081 0.000 0.623 28 A CB -1.092 17.796 19.000 -0.185 0.000 0.818 28 A HN 0.529 nan 8.150 nan 0.000 0.443 29 W N -0.002 121.286 121.300 -0.019 0.000 2.355 29 W HA -0.105 4.556 4.660 0.001 0.000 0.309 29 W C 2.429 178.947 176.519 -0.001 0.000 1.206 29 W CA 1.669 59.011 57.345 -0.005 0.000 1.284 29 W CB -0.032 29.416 29.460 -0.021 0.000 1.145 29 W HN 0.256 nan 8.180 nan 0.000 0.502 30 K N 0.215 120.743 120.400 0.213 0.000 2.063 30 K HA -0.240 4.081 4.320 0.001 0.000 0.208 30 K C 2.022 178.648 176.600 0.044 0.000 1.048 30 K CA 1.638 57.989 56.287 0.108 0.000 0.928 30 K CB -0.557 31.977 32.500 0.057 0.000 0.713 30 K HN 0.062 nan 8.250 nan 0.000 0.442 31 L N 0.845 122.060 121.223 -0.012 0.000 2.017 31 L HA -0.091 4.249 4.340 0.001 0.000 0.208 31 L C 2.177 179.007 176.870 -0.067 0.000 1.073 31 L CA 2.142 56.891 54.840 -0.151 0.000 0.745 31 L CB -0.735 41.178 42.059 -0.243 0.000 0.894 31 L HN 0.204 nan 8.230 nan 0.000 0.432 32 A N -1.452 121.423 122.820 0.092 0.000 1.930 32 A HA -0.171 4.150 4.320 0.001 0.000 0.217 32 A C 2.265 179.999 177.584 0.249 0.000 1.175 32 A CA 2.179 54.373 52.037 0.261 0.000 0.627 32 A CB -1.105 17.959 19.000 0.107 0.000 0.815 32 A HN 0.620 nan 8.150 nan 0.000 0.443 33 T N -3.779 110.897 114.554 0.205 0.000 3.040 33 T HA 0.098 4.448 4.350 0.001 0.000 0.252 33 T C 1.649 176.431 174.700 0.136 0.000 1.064 33 T CA 0.924 63.138 62.100 0.190 0.000 1.110 33 T CB 0.026 69.023 68.868 0.214 0.000 0.921 33 T HN 0.548 nan 8.240 nan 0.000 0.480 34 Q N 0.667 120.527 119.800 0.099 0.000 2.402 34 Q HA 0.502 4.843 4.340 0.001 0.000 0.231 34 Q C 0.984 177.006 176.000 0.037 0.000 0.888 34 Q CA 0.004 55.843 55.803 0.059 0.000 0.938 34 Q CB 0.471 29.230 28.738 0.034 0.000 1.086 34 Q HN 0.580 nan 8.270 nan 0.000 0.543 35 A N 2.213 125.029 122.820 -0.006 0.000 2.477 35 A HA 0.244 4.564 4.320 0.001 0.000 0.246 35 A C 0.545 178.184 177.584 0.092 0.000 1.078 35 A CA -0.100 51.888 52.037 -0.082 0.000 0.770 35 A CB 0.040 18.763 19.000 -0.462 0.000 1.011 35 A HN 0.271 nan 8.150 nan 0.000 0.494 36 T N 0.716 115.323 114.554 0.087 0.000 2.899 36 T HA 0.586 4.937 4.350 0.001 0.000 0.295 36 T C 0.889 175.748 174.700 0.265 0.000 1.033 36 T CA 0.334 62.523 62.100 0.148 0.000 1.084 36 T CB 0.864 69.787 68.868 0.091 0.000 0.979 36 T HN 2.590 nan 8.240 nan 0.000 0.532 37 G N 1.914 110.845 108.800 0.218 0.000 2.642 37 G HA2 -0.114 3.846 3.960 0.001 0.000 0.231 37 G HA3 -0.114 3.846 3.960 0.001 0.000 0.231 37 G C -0.614 174.399 174.900 0.188 0.000 1.338 37 G CA -0.338 44.882 45.100 0.199 0.000 0.883 37 G HN 0.992 nan 8.290 nan 0.000 0.570 38 R N -0.224 120.256 120.500 -0.033 0.000 2.836 38 R HA 0.480 4.820 4.340 0.001 0.000 0.269 38 R C -1.950 173.906 176.300 -0.740 0.000 1.010 38 R CA -1.476 54.337 56.100 -0.478 0.000 0.930 38 R CB 1.930 32.063 30.300 -0.278 0.000 1.218 38 R HN 0.286 nan 8.270 nan 0.000 0.473 39 P HA -0.224 nan 4.420 nan 0.000 0.218 39 P C 0.140 177.261 177.300 -0.298 0.000 1.152 39 P CA 1.479 64.006 63.100 -0.955 0.000 0.857 39 P CB 0.205 31.377 31.700 -0.879 0.000 0.787 40 D N -1.357 118.908 120.400 -0.225 0.000 2.363 40 D HA -0.027 4.613 4.640 0.001 0.000 0.220 40 D C 0.015 176.314 176.300 -0.002 0.000 0.994 40 D CA 0.730 54.674 54.000 -0.094 0.000 0.890 40 D CB -0.210 40.544 40.800 -0.077 0.000 0.906 40 D HN 0.250 nan 8.370 nan 0.000 0.530 41 D N 0.384 120.795 120.400 0.019 0.000 2.350 41 D HA 0.171 4.811 4.640 0.001 0.000 0.249 41 D C 1.234 177.633 176.300 0.165 0.000 1.119 41 D CA -0.133 53.926 54.000 0.098 0.000 0.886 41 D CB 1.562 42.428 40.800 0.111 0.000 1.195 41 D HN -0.099 nan 8.370 nan 0.000 0.437 42 A N 3.190 126.127 122.820 0.196 0.000 1.948 42 A HA -0.272 4.049 4.320 0.001 0.000 0.220 42 A C 1.846 179.550 177.584 0.199 0.000 1.177 42 A CA 1.938 54.135 52.037 0.266 0.000 0.636 42 A CB -0.638 18.499 19.000 0.228 0.000 0.815 42 A HN 0.782 nan 8.150 nan 0.000 0.449 43 E N -2.315 117.984 120.200 0.165 0.000 2.204 43 E HA -0.254 4.096 4.350 0.001 0.000 0.195 43 E C 1.889 178.577 176.600 0.147 0.000 0.990 43 E CA 1.213 57.694 56.400 0.135 0.000 0.821 43 E CB -0.417 29.353 29.700 0.116 0.000 0.750 43 E HN 0.809 nan 8.360 nan 0.000 0.477 44 W N 1.374 122.680 121.300 0.009 0.000 2.443 44 W HA -0.026 4.635 4.660 0.001 0.000 0.296 44 W C 2.226 178.723 176.519 -0.037 0.000 1.202 44 W CA 1.110 58.448 57.345 -0.011 0.000 1.312 44 W CB 0.023 29.469 29.460 -0.023 0.000 1.120 44 W HN -0.135 nan 8.180 nan 0.000 0.536 45 V N 0.409 120.455 119.914 0.219 0.000 2.407 45 V HA -0.334 3.787 4.120 0.001 0.000 0.248 45 V C 2.093 178.187 176.094 -0.001 0.000 1.055 45 V CA 2.350 64.663 62.300 0.021 0.000 1.049 45 V CB -0.973 30.676 31.823 -0.291 0.000 0.662 45 V HN 0.273 nan 8.190 nan 0.000 0.455 46 E N 0.426 120.655 120.200 0.049 0.000 2.077 46 E HA -0.235 4.115 4.350 0.001 0.000 0.193 46 E C 2.249 178.839 176.600 -0.016 0.000 0.989 46 E CA 1.397 57.822 56.400 0.042 0.000 0.800 46 E CB -0.220 29.519 29.700 0.065 0.000 0.746 46 E HN 0.566 nan 8.360 nan 0.000 0.452 47 A N 1.229 123.994 122.820 -0.093 0.000 1.902 47 A HA -0.108 4.212 4.320 0.001 0.000 0.217 47 A C 2.406 179.871 177.584 -0.198 0.000 1.181 47 A CA 1.830 53.758 52.037 -0.182 0.000 0.623 47 A CB -0.785 18.004 19.000 -0.351 0.000 0.818 47 A HN 0.425 nan 8.150 nan 0.000 0.443 48 A N -0.331 122.342 122.820 -0.244 0.000 1.902 48 A HA -0.180 4.140 4.320 0.001 0.000 0.217 48 A C 2.256 179.824 177.584 -0.027 0.000 1.181 48 A CA 1.781 53.722 52.037 -0.159 0.000 0.623 48 A CB -0.497 18.440 19.000 -0.106 0.000 0.818 48 A HN 0.569 nan 8.150 nan 0.000 0.443 49 R N -0.096 120.398 120.500 -0.009 0.000 2.081 49 R HA -0.142 4.198 4.340 0.001 0.000 0.235 49 R C 1.862 178.265 176.300 0.173 0.000 1.131 49 R CA 1.862 57.996 56.100 0.058 0.000 0.960 49 R CB -0.405 29.937 30.300 0.070 0.000 0.856 49 R HN 0.718 nan 8.270 nan 0.000 0.436 50 N N -0.151 118.622 118.700 0.122 0.000 2.188 50 N HA -0.113 4.627 4.740 0.001 0.000 0.184 50 N C 1.718 177.314 175.510 0.143 0.000 1.018 50 N CA 1.057 54.196 53.050 0.148 0.000 0.858 50 N CB -0.091 38.435 38.487 0.065 0.000 0.989 50 N HN 0.263 nan 8.380 nan 0.000 0.426 51 A N 1.243 124.117 122.820 0.089 0.000 1.930 51 A HA -0.176 4.145 4.320 0.001 0.000 0.217 51 A C 1.846 179.547 177.584 0.194 0.000 1.175 51 A CA 0.796 52.901 52.037 0.113 0.000 0.627 51 A CB -1.028 18.011 19.000 0.066 0.000 0.815 51 A HN 0.638 nan 8.150 nan 0.000 0.443 52 W N 0.626 121.866 121.300 -0.101 0.000 2.321 52 W HA -0.244 4.416 4.660 0.001 0.000 0.306 52 W C 1.549 177.876 176.519 -0.320 0.000 1.217 52 W CA 2.069 59.158 57.345 -0.425 0.000 1.257 52 W CB -0.528 28.553 29.460 -0.633 0.000 1.145 52 W HN 0.542 nan 8.180 nan 0.000 0.509 53 H N 0.264 119.281 119.070 -0.089 0.000 2.559 53 H HA 0.042 4.598 4.556 0.001 0.000 0.273 53 H C 2.157 177.418 175.328 -0.111 0.000 1.000 53 H CA 1.251 57.205 56.048 -0.156 0.000 1.195 53 H CB -0.436 29.328 29.762 0.004 0.000 1.368 53 H HN 0.242 nan 8.280 nan 0.000 0.592 54 A N 0.063 122.909 122.820 0.043 0.000 2.178 54 A HA -0.003 4.317 4.320 0.001 0.000 0.211 54 A C 0.327 177.933 177.584 0.036 0.000 1.157 54 A CA -0.372 51.691 52.037 0.044 0.000 0.780 54 A CB -0.284 18.750 19.000 0.056 0.000 0.828 54 A HN 0.129 nan 8.150 nan 0.000 0.476 55 W N 1.210 122.286 121.300 -0.373 0.000 2.160 55 W HA 0.279 4.939 4.660 0.001 0.000 0.352 55 W C -2.079 174.249 176.519 -0.318 0.000 1.288 55 W CA -1.647 55.454 57.345 -0.406 0.000 1.279 55 W CB -0.197 28.829 29.460 -0.723 0.000 1.181 55 W HN 0.078 nan 8.180 nan 0.000 0.593 56 P HA 0.040 nan 4.420 nan 0.000 0.268 56 P C 0.158 177.432 177.300 -0.045 0.000 1.205 56 P CA 0.434 63.503 63.100 -0.051 0.000 0.771 56 P CB 0.655 32.316 31.700 -0.064 0.000 0.858 57 A N 3.476 126.272 122.820 -0.040 0.000 1.940 57 A HA -0.204 4.117 4.320 0.001 0.000 0.219 57 A C 2.088 179.664 177.584 -0.013 0.000 1.176 57 A CA 2.596 54.615 52.037 -0.030 0.000 0.631 57 A CB -2.017 16.974 19.000 -0.015 0.000 0.814 57 A HN 0.665 nan 8.150 nan 0.000 0.446 58 T N -0.913 113.635 114.554 -0.009 0.000 2.665 58 T HA -0.185 4.165 4.350 0.001 0.000 0.268 58 T C 1.817 176.530 174.700 0.022 0.000 1.035 58 T CA 1.650 63.751 62.100 0.002 0.000 1.151 58 T CB -0.671 68.193 68.868 -0.006 0.000 0.862 58 T HN 0.325 nan 8.240 nan 0.000 0.438 59 L N 0.205 121.451 121.223 0.038 0.000 2.093 59 L HA 0.038 4.379 4.340 0.001 0.000 0.208 59 L C 3.331 180.260 176.870 0.098 0.000 1.085 59 L CA 1.237 56.139 54.840 0.103 0.000 0.755 59 L CB -0.461 41.732 42.059 0.224 0.000 0.904 59 L HN 0.198 nan 8.230 nan 0.000 0.435 60 R N -0.084 120.414 120.500 -0.004 0.000 2.096 60 R HA -0.140 4.200 4.340 0.001 0.000 0.235 60 R C 2.438 178.799 176.300 0.103 0.000 1.127 60 R CA 1.260 57.369 56.100 0.015 0.000 0.968 60 R CB -0.235 29.986 30.300 -0.132 0.000 0.861 60 R HN 0.351 nan 8.270 nan 0.000 0.440 61 R N 0.370 120.906 120.500 0.060 0.000 2.075 61 R HA -0.105 4.236 4.340 0.001 0.000 0.232 61 R C 1.745 178.086 176.300 0.068 0.000 1.126 61 R CA 1.442 57.579 56.100 0.061 0.000 0.963 61 R CB -0.191 30.130 30.300 0.035 0.000 0.858 61 R HN 0.225 nan 8.270 nan 0.000 0.435 62 D N 0.659 121.098 120.400 0.064 0.000 2.104 62 D HA -0.157 4.483 4.640 0.001 0.000 0.194 62 D C 1.932 178.292 176.300 0.101 0.000 0.994 62 D CA 0.970 55.005 54.000 0.057 0.000 0.830 62 D CB -0.113 40.712 40.800 0.041 0.000 0.959 62 D HN 0.053 nan 8.370 nan 0.000 0.452 63 L N 0.786 122.085 121.223 0.127 0.000 2.046 63 L HA -0.088 4.252 4.340 0.001 0.000 0.208 63 L C 2.476 179.429 176.870 0.139 0.000 1.077 63 L CA 1.171 56.090 54.840 0.132 0.000 0.747 63 L CB -1.314 40.835 42.059 0.151 0.000 0.896 63 L HN -0.046 nan 8.230 nan 0.000 0.432 64 A N -0.125 122.774 122.820 0.131 0.000 1.933 64 A HA -0.102 4.218 4.320 0.001 0.000 0.218 64 A C 2.416 180.062 177.584 0.103 0.000 1.175 64 A CA 1.621 53.721 52.037 0.107 0.000 0.628 64 A CB -1.020 18.043 19.000 0.105 0.000 0.814 64 A HN 0.436 nan 8.150 nan 0.000 0.444 65 G N -1.330 107.537 108.800 0.111 0.000 2.418 65 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 65 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 65 G C 1.451 176.451 174.900 0.166 0.000 1.158 65 G CA 1.123 46.288 45.100 0.108 0.000 0.771 65 G HN 0.511 nan 8.290 nan 0.000 0.545 66 F N 1.329 121.319 119.950 0.066 0.000 2.146 66 F HA 0.083 4.611 4.527 0.001 0.000 0.298 66 F C 2.619 178.484 175.800 0.109 0.000 1.096 66 F CA 1.524 59.601 58.000 0.128 0.000 1.275 66 F CB -0.142 38.904 39.000 0.076 0.000 1.008 66 F HN 0.055 nan 8.300 nan 0.000 0.480 67 R N 0.048 120.554 120.500 0.010 0.000 2.096 67 R HA -0.216 4.124 4.340 0.001 0.000 0.235 67 R C 2.404 178.712 176.300 0.014 0.000 1.127 67 R CA 1.603 57.697 56.100 -0.011 0.000 0.968 67 R CB -0.279 30.046 30.300 0.043 0.000 0.861 67 R HN 0.176 nan 8.270 nan 0.000 0.440 68 R N 0.549 121.063 120.500 0.024 0.000 2.090 68 R HA -0.049 4.292 4.340 0.001 0.000 0.228 68 R C -0.539 175.766 176.300 0.008 0.000 1.110 68 R CA 1.623 57.741 56.100 0.029 0.000 0.973 68 R CB 0.055 30.383 30.300 0.046 0.000 0.869 68 R HN 0.115 nan 8.270 nan 0.000 0.440 69 D N -1.281 119.119 120.400 0.001 0.000 2.470 69 D HA 0.072 4.713 4.640 0.001 0.000 0.233 69 D C -0.529 175.772 176.300 0.001 0.000 1.372 69 D CA 0.008 54.015 54.000 0.012 0.000 0.994 69 D CB 1.419 42.268 40.800 0.082 0.000 1.377 69 D HN 0.100 nan 8.370 nan 0.000 0.586 70 S N 1.645 117.231 115.700 -0.189 0.000 2.603 70 S HA 0.463 4.933 4.470 0.001 0.000 0.220 70 S C 1.218 175.684 174.600 -0.223 0.000 0.967 70 S CA 0.393 58.384 58.200 -0.348 0.000 0.920 70 S CB -0.308 62.558 63.200 -0.557 0.000 0.773 70 S HN 1.021 nan 8.310 nan 0.000 0.529 71 G N 2.478 111.177 108.800 -0.168 0.000 2.828 71 G HA2 -0.165 3.795 3.960 0.001 0.000 0.463 71 G HA3 -0.165 3.795 3.960 0.001 0.000 0.463 71 G C -1.830 172.935 174.900 -0.223 0.000 1.394 71 G CA -0.353 44.556 45.100 -0.319 0.000 0.862 71 G HN 0.229 nan 8.290 nan 0.000 0.540 72 P HA 0.058 nan 4.420 nan 0.000 0.223 72 P C 0.628 177.884 177.300 -0.073 0.000 1.151 72 P CA 1.646 64.701 63.100 -0.075 0.000 0.787 72 P CB 0.158 31.841 31.700 -0.027 0.000 0.788 73 D N -1.108 119.222 120.400 -0.118 0.000 2.369 73 D HA 0.120 4.761 4.640 0.001 0.000 0.211 73 D C 1.304 177.596 176.300 -0.013 0.000 1.077 73 D CA 0.478 54.450 54.000 -0.046 0.000 0.842 73 D CB -0.069 40.723 40.800 -0.014 0.000 0.947 73 D HN 0.112 nan 8.370 nan 0.000 0.509 74 G N 1.266 110.038 108.800 -0.047 0.000 2.283 74 G HA2 -0.083 3.877 3.960 0.001 0.000 0.280 74 G HA3 -0.083 3.877 3.960 0.001 0.000 0.280 74 G C 0.253 175.297 174.900 0.239 0.000 1.029 74 G CA 0.565 45.694 45.100 0.049 0.000 0.840 74 G HN 0.644 nan 8.290 nan 0.000 0.505 75 A N -1.127 121.865 122.820 0.286 0.000 2.604 75 A HA 0.866 5.187 4.320 0.001 0.000 0.295 75 A C -0.857 176.788 177.584 0.102 0.000 1.067 75 A CA -0.055 52.132 52.037 0.249 0.000 0.683 75 A CB 1.727 20.791 19.000 0.108 0.000 1.281 75 A HN 1.556 nan 8.150 nan 0.000 0.407 76 I N 0.961 121.372 120.570 -0.265 0.000 2.686 76 I HA 0.710 4.880 4.170 0.001 0.000 0.295 76 I C -1.666 174.301 176.117 -0.249 0.000 1.114 76 I CA -0.927 60.203 61.300 -0.285 0.000 1.038 76 I CB 2.158 39.748 38.000 -0.682 0.000 1.238 76 I HN 0.451 nan 8.210 nan 0.000 0.420 77 V N 7.316 127.156 119.914 -0.124 0.000 2.487 77 V HA 0.474 4.594 4.120 0.001 0.000 0.298 77 V C -0.645 175.405 176.094 -0.073 0.000 1.028 77 V CA -0.587 61.645 62.300 -0.113 0.000 0.860 77 V CB 1.584 33.367 31.823 -0.067 0.000 0.991 77 V HN 0.422 nan 8.190 nan 0.000 0.427 78 L N 5.689 126.869 121.223 -0.072 0.000 2.325 78 L HA 0.664 5.004 4.340 0.001 0.000 0.278 78 L C 0.182 177.037 176.870 -0.026 0.000 1.023 78 L CA -0.187 54.633 54.840 -0.032 0.000 0.811 78 L CB 1.595 43.654 42.059 0.000 0.000 1.249 78 L HN 0.558 nan 8.230 nan 0.000 0.431 79 R N 1.429 121.918 120.500 -0.019 0.000 2.621 79 R HA 0.676 5.016 4.340 0.001 0.000 0.292 79 R C 0.221 176.504 176.300 -0.030 0.000 0.969 79 R CA -0.383 55.703 56.100 -0.023 0.000 0.887 79 R CB 1.852 32.142 30.300 -0.015 0.000 1.180 79 R HN 0.797 nan 8.270 nan 0.000 0.450 80 G N 1.899 110.677 108.800 -0.038 0.000 2.135 80 G HA2 -0.202 3.759 3.960 0.001 0.000 0.183 80 G HA3 -0.202 3.759 3.960 0.001 0.000 0.183 80 G C -0.104 174.754 174.900 -0.070 0.000 1.004 80 G CA -0.575 44.496 45.100 -0.049 0.000 0.677 80 G HN 0.368 nan 8.290 nan 0.000 0.512 81 L N 1.557 122.739 121.223 -0.069 0.000 2.436 81 L HA 0.445 4.785 4.340 0.001 0.000 0.265 81 L C -1.286 175.524 176.870 -0.101 0.000 1.168 81 L CA -1.969 52.815 54.840 -0.094 0.000 0.815 81 L CB 0.605 42.633 42.059 -0.051 0.000 1.109 81 L HN -0.005 nan 8.230 nan 0.000 0.462 82 P HA 0.160 nan 4.420 nan 0.000 0.276 82 P C -1.170 176.035 177.300 -0.159 0.000 1.243 82 P CA -0.114 62.911 63.100 -0.126 0.000 0.768 82 P CB 1.109 32.711 31.700 -0.164 0.000 0.856 83 V N -0.445 119.393 119.914 -0.127 0.000 2.760 83 V HA 0.416 4.536 4.120 0.001 0.000 0.309 83 V C -0.394 175.643 176.094 -0.095 0.000 1.077 83 V CA -0.975 61.229 62.300 -0.160 0.000 0.910 83 V CB 2.123 33.850 31.823 -0.161 0.000 1.008 83 V HN 0.301 nan 8.190 nan 0.000 0.424 84 D N 2.929 123.263 120.400 -0.111 0.000 2.551 84 D HA 0.292 4.933 4.640 0.001 0.000 0.223 84 D C 1.245 177.547 176.300 0.003 0.000 1.144 84 D CA 0.632 54.643 54.000 0.018 0.000 1.025 84 D CB 0.714 41.546 40.800 0.054 0.000 1.085 84 D HN 0.632 nan 8.370 nan 0.000 0.506 85 S N 1.987 117.689 115.700 0.004 0.000 2.368 85 S HA -0.168 4.302 4.470 0.001 0.000 0.225 85 S C 1.938 176.555 174.600 0.028 0.000 1.030 85 S CA 1.018 59.218 58.200 -0.001 0.000 0.999 85 S CB -0.024 63.175 63.200 -0.000 0.000 0.844 85 S HN 0.576 nan 8.310 nan 0.000 0.459 86 M N 0.523 120.149 119.600 0.044 0.000 2.229 86 M HA -0.004 4.476 4.480 0.001 0.000 0.264 86 M C 2.187 178.522 176.300 0.059 0.000 1.063 86 M CA 1.347 56.676 55.300 0.048 0.000 1.114 86 M CB -0.441 32.187 32.600 0.047 0.000 1.387 86 M HN 0.402 nan 8.290 nan 0.000 0.420 87 G N -0.167 108.677 108.800 0.075 0.000 2.985 87 G HA2 0.166 4.126 3.960 0.001 0.000 0.209 87 G HA3 0.166 4.126 3.960 0.001 0.000 0.209 87 G C 0.216 175.159 174.900 0.073 0.000 1.165 87 G CA -0.306 44.844 45.100 0.083 0.000 0.776 87 G HN 0.172 nan 8.290 nan 0.000 0.541 88 L N 2.891 124.149 121.223 0.058 0.000 2.410 88 L HA 0.348 4.688 4.340 0.001 0.000 0.273 88 L C -1.329 175.634 176.870 0.155 0.000 1.144 88 L CA -1.769 53.113 54.840 0.071 0.000 0.863 88 L CB 0.609 42.679 42.059 0.018 0.000 1.140 88 L HN -0.029 nan 8.230 nan 0.000 0.463 89 P HA 0.347 nan 4.420 nan 0.000 0.277 89 P C -2.737 174.700 177.300 0.228 0.000 1.276 89 P CA -1.464 61.754 63.100 0.196 0.000 0.788 89 P CB -0.504 31.304 31.700 0.180 0.000 1.114 90 P HA 0.063 nan 4.420 nan 0.000 0.267 90 P C -0.240 177.015 177.300 -0.075 0.000 1.200 90 P CA 0.396 63.527 63.100 0.051 0.000 0.772 90 P CB -0.307 31.398 31.700 0.008 0.000 0.855 91 T N 4.958 119.444 114.554 -0.113 0.000 2.867 91 T HA 0.128 4.479 4.350 0.001 0.000 0.297 91 T C -2.038 172.362 174.700 -0.499 0.000 0.989 91 T CA -0.535 61.283 62.100 -0.469 0.000 1.159 91 T CB -0.662 68.092 68.868 -0.190 0.000 0.928 91 T HN 0.320 nan 8.240 nan 0.000 0.538 92 P HA 0.178 nan 4.420 nan 0.000 0.267 92 P C 0.399 177.532 177.300 -0.278 0.000 1.200 92 P CA -0.139 62.697 63.100 -0.441 0.000 0.772 92 P CB 0.550 31.968 31.700 -0.470 0.000 0.855 93 R N 0.908 121.304 120.500 -0.173 0.000 2.565 93 R HA 0.185 4.526 4.340 0.001 0.000 0.347 93 R C 0.001 176.219 176.300 -0.136 0.000 1.010 93 R CA -0.152 55.877 56.100 -0.117 0.000 1.126 93 R CB 0.472 30.718 30.300 -0.091 0.000 1.331 93 R HN 0.379 nan 8.270 nan 0.000 0.552 94 V N -1.219 118.613 119.914 -0.137 0.000 2.617 94 V HA 0.385 4.506 4.120 0.001 0.000 0.298 94 V C 0.024 176.045 176.094 -0.122 0.000 1.048 94 V CA -1.170 61.055 62.300 -0.125 0.000 0.964 94 V CB 1.565 33.325 31.823 -0.105 0.000 1.004 94 V HN -0.016 nan 8.190 nan 0.000 0.466 95 N N 2.158 120.782 118.700 -0.127 0.000 2.482 95 N HA 0.484 5.225 4.740 0.001 0.000 0.260 95 N C 1.165 176.619 175.510 -0.093 0.000 1.236 95 N CA 1.527 54.500 53.050 -0.128 0.000 0.938 95 N CB 0.932 39.320 38.487 -0.165 0.000 1.128 95 N HN 1.546 nan 8.380 nan 0.000 0.448 96 G N 0.397 109.152 108.800 -0.075 0.000 2.153 96 G HA2 -0.291 3.670 3.960 0.001 0.000 0.252 96 G HA3 -0.291 3.670 3.960 0.001 0.000 0.252 96 G C 0.109 174.981 174.900 -0.047 0.000 0.994 96 G CA 0.528 45.597 45.100 -0.052 0.000 0.698 96 G HN 0.712 nan 8.290 nan 0.000 0.521 97 S N -0.320 115.347 115.700 -0.055 0.000 2.533 97 S HA 0.556 5.027 4.470 0.001 0.000 0.282 97 S C 0.554 175.143 174.600 -0.019 0.000 1.304 97 S CA 0.415 58.583 58.200 -0.053 0.000 1.063 97 S CB 0.742 63.886 63.200 -0.093 0.000 0.881 97 S HN 1.770 nan 8.310 nan 0.000 0.493 98 V N 2.949 122.855 119.914 -0.013 0.000 3.159 98 V HA 0.666 4.786 4.120 0.001 0.000 0.308 98 V C -0.975 175.119 176.094 -0.001 0.000 1.190 98 V CA -1.171 61.124 62.300 -0.007 0.000 1.037 98 V CB 1.910 33.714 31.823 -0.032 0.000 1.060 98 V HN 0.660 nan 8.190 nan 0.000 0.437 99 Q N 1.671 121.461 119.800 -0.016 0.000 2.509 99 Q HA 0.482 4.822 4.340 0.001 0.000 0.230 99 Q C 0.614 176.549 176.000 -0.108 0.000 1.089 99 Q CA -0.137 55.645 55.803 -0.035 0.000 0.901 99 Q CB 1.045 29.759 28.738 -0.040 0.000 1.208 99 Q HN 0.676 nan 8.270 nan 0.000 0.529 100 R N 1.421 121.862 120.500 -0.098 0.000 2.161 100 R HA 0.128 4.468 4.340 0.001 0.000 0.213 100 R C -0.110 176.077 176.300 -0.188 0.000 1.055 100 R CA 0.477 56.496 56.100 -0.134 0.000 0.996 100 R CB 0.360 30.606 30.300 -0.089 0.000 0.901 100 R HN 0.521 nan 8.270 nan 0.000 0.456 101 E N 0.797 120.904 120.200 -0.155 0.000 2.283 101 E HA 0.352 4.702 4.350 0.001 0.000 0.271 101 E C -0.419 176.033 176.600 -0.248 0.000 1.031 101 E CA -0.475 55.825 56.400 -0.166 0.000 0.868 101 E CB 1.175 30.829 29.700 -0.077 0.000 1.094 101 E HN 0.049 nan 8.360 nan 0.000 0.401 102 A N 1.819 124.485 122.820 -0.258 0.000 2.540 102 A HA 0.325 4.646 4.320 0.001 0.000 0.239 102 A C 0.266 177.813 177.584 -0.062 0.000 1.061 102 A CA 0.414 52.328 52.037 -0.206 0.000 0.758 102 A CB -0.132 18.928 19.000 0.100 0.000 0.991 102 A HN 0.627 nan 8.150 nan 0.000 0.502 103 S N 1.292 116.969 115.700 -0.039 0.000 2.611 103 S HA 0.482 4.953 4.470 0.001 0.000 0.268 103 S C 0.441 174.981 174.600 -0.100 0.000 1.156 103 S CA -0.540 57.612 58.200 -0.080 0.000 0.817 103 S CB 0.356 63.485 63.200 -0.119 0.000 1.122 103 S HN 0.518 nan 8.310 nan 0.000 0.466 104 L N 1.022 122.080 121.223 -0.275 0.000 2.046 104 L HA 0.035 4.375 4.340 0.001 0.000 0.208 104 L C 2.733 179.483 176.870 -0.199 0.000 1.077 104 L CA 1.978 56.604 54.840 -0.357 0.000 0.747 104 L CB -1.077 40.618 42.059 -0.607 0.000 0.896 104 L HN 1.015 nan 8.230 nan 0.000 0.432 105 G N -0.581 108.099 108.800 -0.199 0.000 2.421 105 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 105 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 105 G C 1.764 176.614 174.900 -0.084 0.000 1.171 105 G CA 0.785 45.787 45.100 -0.164 0.000 0.775 105 G HN 0.472 nan 8.290 nan 0.000 0.543 106 A N 1.187 123.965 122.820 -0.071 0.000 1.902 106 A HA 0.230 4.550 4.320 0.001 0.000 0.217 106 A C 2.824 180.514 177.584 0.177 0.000 1.181 106 A CA 2.338 54.359 52.037 -0.027 0.000 0.623 106 A CB -0.825 18.063 19.000 -0.187 0.000 0.818 106 A HN 0.801 nan 8.150 nan 0.000 0.443 107 A N -0.514 122.466 122.820 0.267 0.000 1.865 107 A HA -0.047 4.273 4.320 0.001 0.000 0.217 107 A C 2.258 179.953 177.584 0.185 0.000 1.191 107 A CA 1.950 54.156 52.037 0.280 0.000 0.623 107 A CB -1.110 17.973 19.000 0.138 0.000 0.826 107 A HN 0.419 nan 8.150 nan 0.000 0.444 108 V N 0.037 120.027 119.914 0.127 0.000 2.287 108 V HA -0.280 3.841 4.120 0.001 0.000 0.248 108 V C 2.616 178.800 176.094 0.151 0.000 1.053 108 V CA 2.109 64.529 62.300 0.200 0.000 1.027 108 V CB -0.822 31.059 31.823 0.096 0.000 0.646 108 V HN 0.560 nan 8.190 nan 0.000 0.447 109 L N -0.863 120.393 121.223 0.054 0.000 2.017 109 L HA -0.187 4.153 4.340 0.001 0.000 0.208 109 L C 2.373 179.223 176.870 -0.033 0.000 1.073 109 L CA 1.606 56.439 54.840 -0.010 0.000 0.745 109 L CB -0.471 41.561 42.059 -0.046 0.000 0.894 109 L HN 0.289 nan 8.230 nan 0.000 0.432 110 L N -1.361 119.877 121.223 0.026 0.000 2.156 110 L HA -0.163 4.178 4.340 0.001 0.000 0.208 110 L C 2.599 179.426 176.870 -0.072 0.000 1.095 110 L CA 0.893 55.730 54.840 -0.004 0.000 0.770 110 L CB -0.322 41.815 42.059 0.130 0.000 0.914 110 L HN 0.331 nan 8.230 nan 0.000 0.439 111 M N -0.683 118.911 119.600 -0.010 0.000 2.086 111 M HA -0.178 4.303 4.480 0.001 0.000 0.261 111 M C 2.288 178.325 176.300 -0.439 0.000 1.067 111 M CA 1.989 57.255 55.300 -0.055 0.000 1.116 111 M CB -0.671 32.071 32.600 0.236 0.000 1.348 111 M HN 0.199 nan 8.290 nan 0.000 0.407 112 T N 0.807 115.106 114.554 -0.426 0.000 2.788 112 T HA -0.072 4.279 4.350 0.001 0.000 0.268 112 T C 1.898 176.153 174.700 -0.742 0.000 1.044 112 T CA 1.426 63.053 62.100 -0.787 0.000 1.139 112 T CB -0.360 68.295 68.868 -0.355 0.000 0.867 112 T HN 0.487 nan 8.240 nan 0.000 0.454 113 A N 0.714 123.281 122.820 -0.422 0.000 1.902 113 A HA -0.134 4.186 4.320 0.001 0.000 0.217 113 A C 2.633 179.998 177.584 -0.365 0.000 1.181 113 A CA 1.489 53.346 52.037 -0.300 0.000 0.623 113 A CB -1.287 17.615 19.000 -0.164 0.000 0.818 113 A HN 0.635 nan 8.150 nan 0.000 0.443 114 C N -0.967 118.072 119.300 -0.435 0.000 2.432 114 C HA 0.088 4.549 4.460 0.001 0.000 0.282 114 C C 2.839 177.426 174.990 -0.672 0.000 1.388 114 C CA 0.284 59.061 59.018 -0.402 0.000 1.777 114 C CB -1.536 26.042 27.740 -0.271 0.000 1.882 114 C HN 0.718 nan 8.230 nan 0.000 0.520 115 G N 0.095 108.085 108.800 -1.349 0.000 2.403 115 G HA2 -0.066 3.894 3.960 0.001 0.000 0.216 115 G HA3 -0.066 3.894 3.960 0.001 0.000 0.216 115 G C 1.502 175.982 174.900 -0.700 0.000 1.154 115 G CA 0.402 44.490 45.100 -1.688 0.000 0.784 115 G HN 0.515 nan 8.290 nan 0.000 0.538 116 L N -0.485 120.397 121.223 -0.568 0.000 2.375 116 L HA 0.350 4.691 4.340 0.001 0.000 0.215 116 L C 1.732 178.555 176.870 -0.077 0.000 1.108 116 L CA 0.632 55.304 54.840 -0.280 0.000 0.830 116 L CB 0.293 42.145 42.059 -0.345 0.000 0.959 116 L HN 0.444 nan 8.230 nan 0.000 0.457 117 G N -1.584 107.152 108.800 -0.107 0.000 2.528 117 G HA2 0.063 4.023 3.960 0.001 0.000 0.078 117 G HA3 0.063 4.023 3.960 0.001 0.000 0.078 117 G C -1.584 173.298 174.900 -0.029 0.000 1.008 117 G CA -0.449 44.645 45.100 -0.011 0.000 1.309 117 G HN -0.006 nan 8.290 nan 0.000 0.564 118 D N 1.122 121.534 120.400 0.020 0.000 2.661 118 D HA 0.485 5.125 4.640 0.001 0.000 0.228 118 D C -2.746 173.583 176.300 0.048 0.000 1.183 118 D CA -0.829 53.199 54.000 0.047 0.000 0.844 118 D CB 3.196 44.096 40.800 0.166 0.000 1.555 118 D HN 0.167 nan 8.370 nan 0.000 0.453 119 P HA 0.342 nan 4.420 nan 0.000 0.274 119 P C -0.380 176.971 177.300 0.085 0.000 1.237 119 P CA -0.083 63.008 63.100 -0.014 0.000 0.793 119 P CB 1.176 32.785 31.700 -0.152 0.000 0.977 120 G N -0.871 107.977 108.800 0.080 0.000 2.677 120 G HA2 0.657 4.618 3.960 0.001 0.000 0.291 120 G HA3 0.657 4.618 3.960 0.001 0.000 0.291 120 G C -2.006 172.905 174.900 0.020 0.000 1.435 120 G CA -0.294 44.828 45.100 0.038 0.000 0.826 120 G HN 0.646 nan 8.290 nan 0.000 0.491 121 A N -0.599 122.135 122.820 -0.143 0.000 2.588 121 A HA 0.884 5.204 4.320 0.001 0.000 0.290 121 A C -2.003 175.333 177.584 -0.415 0.000 1.136 121 A CA -0.769 51.218 52.037 -0.083 0.000 0.681 121 A CB 1.094 20.122 19.000 0.047 0.000 1.282 121 A HN 0.866 nan 8.150 nan 0.000 0.421 122 F N 0.592 120.627 119.950 0.141 0.000 2.467 122 F HA 0.434 4.962 4.527 0.001 0.000 0.336 122 F C 1.098 176.894 175.800 -0.007 0.000 1.123 122 F CA -0.565 57.488 58.000 0.087 0.000 0.964 122 F CB 1.827 40.923 39.000 0.160 0.000 1.136 122 F HN 0.524 nan 8.300 nan 0.000 0.447 123 L N 5.757 127.077 121.223 0.161 0.000 2.043 123 L HA -0.079 4.261 4.340 0.001 0.000 0.212 123 L C -0.947 175.938 176.870 0.026 0.000 1.075 123 L CA 2.240 57.130 54.840 0.084 0.000 0.752 123 L CB -1.206 40.911 42.059 0.098 0.000 0.891 123 L HN 0.385 nan 8.230 nan 0.000 0.432 124 P HA -0.063 nan 4.420 nan 0.000 0.242 124 P C -0.368 176.742 177.300 -0.317 0.000 1.197 124 P CA 0.661 63.707 63.100 -0.090 0.000 0.765 124 P CB -0.015 31.723 31.700 0.063 0.000 0.936 125 E N 0.704 120.644 120.200 -0.433 0.000 2.191 125 E HA 0.168 4.519 4.350 0.001 0.000 0.263 125 E C -0.158 176.382 176.600 -0.099 0.000 0.881 125 E CA -0.753 55.417 56.400 -0.385 0.000 0.757 125 E CB 0.376 29.679 29.700 -0.661 0.000 1.147 125 E HN -0.274 nan 8.360 nan 0.000 0.414 126 K N 3.471 123.839 120.400 -0.052 0.000 3.016 126 K HA -0.234 4.086 4.320 0.001 0.000 0.262 126 K C -0.379 176.208 176.600 -0.022 0.000 1.043 126 K CA 0.933 57.207 56.287 -0.021 0.000 0.761 126 K CB -1.706 30.794 32.500 0.000 0.000 1.230 126 K HN 0.847 nan 8.250 nan 0.000 0.485 127 N N -1.185 117.498 118.700 -0.028 0.000 2.708 127 N HA -0.232 4.508 4.740 0.001 0.000 0.249 127 N C 0.741 176.248 175.510 -0.005 0.000 1.097 127 N CA 2.230 55.270 53.050 -0.016 0.000 0.710 127 N CB -1.505 36.972 38.487 -0.017 0.000 1.032 127 N HN 0.805 nan 8.380 nan 0.000 0.551 128 G N -2.126 106.678 108.800 0.006 0.000 2.168 128 G HA2 -0.180 3.780 3.960 0.001 0.000 0.257 128 G HA3 -0.180 3.780 3.960 0.001 0.000 0.257 128 G C 0.364 175.265 174.900 0.002 0.000 0.997 128 G CA 0.977 46.090 45.100 0.021 0.000 0.708 128 G HN 1.212 nan 8.290 nan 0.000 0.520 129 A N -0.469 122.341 122.820 -0.017 0.000 2.511 129 A HA 0.640 4.961 4.320 0.001 0.000 0.242 129 A C 1.555 179.098 177.584 -0.068 0.000 1.069 129 A CA 0.458 52.466 52.037 -0.047 0.000 0.763 129 A CB 0.258 19.224 19.000 -0.056 0.000 1.001 129 A HN 0.740 nan 8.150 nan 0.000 0.498 130 L N 2.139 123.308 121.223 -0.090 0.000 2.217 130 L HA -0.011 4.329 4.340 0.001 0.000 0.211 130 L C -0.042 176.736 176.870 -0.153 0.000 1.107 130 L CA 0.633 55.404 54.840 -0.116 0.000 0.783 130 L CB -0.308 41.674 42.059 -0.129 0.000 0.919 130 L HN 0.468 nan 8.230 nan 0.000 0.442 131 V N 0.608 120.438 119.914 -0.141 0.000 2.376 131 V HA 0.294 4.414 4.120 0.001 0.000 0.287 131 V C -0.495 175.540 176.094 -0.098 0.000 1.015 131 V CA -0.584 61.636 62.300 -0.133 0.000 0.834 131 V CB 1.421 33.169 31.823 -0.126 0.000 1.001 131 V HN 0.186 nan 8.190 nan 0.000 0.428 132 Q N 2.611 122.349 119.800 -0.104 0.000 2.337 132 Q HA 0.470 4.811 4.340 0.001 0.000 0.266 132 Q C -1.252 174.760 176.000 0.021 0.000 1.023 132 Q CA -0.887 54.883 55.803 -0.055 0.000 0.829 132 Q CB 2.523 31.202 28.738 -0.098 0.000 1.306 132 Q HN 0.601 nan 8.270 nan 0.000 0.449 133 D N 1.563 122.008 120.400 0.075 0.000 2.304 133 D HA 0.162 4.803 4.640 0.001 0.000 0.250 133 D C -0.650 175.720 176.300 0.116 0.000 1.107 133 D CA -0.063 54.038 54.000 0.167 0.000 0.885 133 D CB 1.705 42.591 40.800 0.144 0.000 1.192 133 D HN 0.135 nan 8.370 nan 0.000 0.436 134 V N 3.091 123.109 119.914 0.173 0.000 2.257 134 V HA 0.262 4.383 4.120 0.001 0.000 0.269 134 V C 0.170 176.356 176.094 0.153 0.000 1.040 134 V CA -0.613 61.774 62.300 0.146 0.000 0.813 134 V CB 0.897 32.808 31.823 0.146 0.000 1.065 134 V HN 0.391 nan 8.190 nan 0.000 0.457 135 V N 3.215 123.180 119.914 0.085 0.000 2.925 135 V HA 0.779 4.899 4.120 0.001 0.000 0.311 135 V C -2.814 173.336 176.094 0.093 0.000 1.104 135 V CA -2.599 59.729 62.300 0.047 0.000 0.954 135 V CB 2.600 34.331 31.823 -0.153 0.000 1.022 135 V HN 0.498 nan 8.190 nan 0.000 0.427 136 P HA 0.341 nan 4.420 nan 0.000 0.276 136 P C -0.707 176.729 177.300 0.228 0.000 1.235 136 P CA -0.019 63.194 63.100 0.188 0.000 0.772 136 P CB 1.539 33.332 31.700 0.156 0.000 0.871 137 V N 6.253 126.235 119.914 0.113 0.000 2.417 137 V HA 0.295 4.415 4.120 0.001 0.000 0.291 137 V C -2.164 173.802 176.094 -0.213 0.000 1.024 137 V CA -2.391 59.874 62.300 -0.058 0.000 0.861 137 V CB 1.525 33.265 31.823 -0.139 0.000 0.985 137 V HN 0.456 nan 8.190 nan 0.000 0.436 138 P HA 0.184 nan 4.420 nan 0.000 0.262 138 P C 1.024 178.130 177.300 -0.324 0.000 1.182 138 P CA 1.449 64.087 63.100 -0.771 0.000 0.761 138 P CB 0.566 31.758 31.700 -0.847 0.000 0.795 139 G N 2.914 111.603 108.800 -0.185 0.000 2.225 139 G HA2 -0.268 3.693 3.960 0.001 0.000 0.254 139 G HA3 -0.268 3.693 3.960 0.001 0.000 0.254 139 G C 0.647 175.521 174.900 -0.045 0.000 0.988 139 G CA -0.013 45.032 45.100 -0.093 0.000 0.625 139 G HN 0.461 nan 8.290 nan 0.000 0.527 140 M N 0.395 119.943 119.600 -0.086 0.000 2.419 140 M HA 0.313 4.794 4.480 0.001 0.000 0.252 140 M C 1.604 177.963 176.300 0.099 0.000 1.143 140 M CA 0.284 55.529 55.300 -0.092 0.000 0.985 140 M CB 0.203 32.592 32.600 -0.351 0.000 1.489 140 M HN 0.234 nan 8.290 nan 0.000 0.484 141 E N 1.443 121.694 120.200 0.085 0.000 2.130 141 E HA -0.179 4.171 4.350 0.001 0.000 0.196 141 E C 1.501 178.153 176.600 0.088 0.000 0.998 141 E CA 1.264 57.700 56.400 0.061 0.000 0.806 141 E CB 0.039 29.761 29.700 0.037 0.000 0.738 141 E HN 0.370 nan 8.360 nan 0.000 0.459 142 E N -0.396 119.889 120.200 0.141 0.000 2.489 142 E HA 0.020 4.370 4.350 0.001 0.000 0.193 142 E C -0.326 176.342 176.600 0.114 0.000 1.057 142 E CA -0.047 56.412 56.400 0.097 0.000 0.866 142 E CB -0.024 29.706 29.700 0.050 0.000 0.916 142 E HN 0.187 nan 8.360 nan 0.000 0.500 143 F N 2.146 122.090 119.950 -0.009 0.000 2.538 143 F HA 0.004 4.532 4.527 0.000 0.000 0.371 143 F C 1.379 177.178 175.800 -0.002 0.000 1.087 143 F CA 0.062 58.059 58.000 -0.004 0.000 1.250 143 F CB 0.649 39.650 39.000 0.003 0.000 1.110 143 F HN -0.257 nan 8.300 nan 0.000 0.570 144 Q N 3.742 123.572 119.800 0.049 0.000 3.004 144 Q HA 0.356 4.697 4.340 0.001 0.000 0.256 144 Q C 0.394 176.429 176.000 0.059 0.000 1.387 144 Q CA -0.085 55.732 55.803 0.024 0.000 0.962 144 Q CB 0.233 28.938 28.738 -0.054 0.000 1.676 144 Q HN 0.900 nan 8.270 nan 0.000 0.568 145 G N 0.941 109.824 108.800 0.138 0.000 2.428 145 G HA2 0.073 4.034 3.960 0.001 0.000 0.304 145 G HA3 0.073 4.034 3.960 0.001 0.000 0.304 145 G C 0.296 175.299 174.900 0.172 0.000 1.303 145 G CA -0.392 44.799 45.100 0.150 0.000 0.825 145 G HN 0.416 nan 8.290 nan 0.000 0.484 146 N N -0.703 118.099 118.700 0.170 0.000 2.364 146 N HA 0.121 4.861 4.740 0.001 0.000 0.183 146 N C 1.735 177.324 175.510 0.131 0.000 1.022 146 N CA 2.195 55.344 53.050 0.164 0.000 0.883 146 N CB 0.107 38.686 38.487 0.154 0.000 0.965 146 N HN 0.697 nan 8.380 nan 0.000 0.438 147 A N -0.469 122.401 122.820 0.083 0.000 2.308 147 A HA 0.444 4.764 4.320 0.001 0.000 0.217 147 A C 1.202 178.817 177.584 0.052 0.000 1.216 147 A CA -0.003 52.052 52.037 0.030 0.000 0.864 147 A CB -0.548 18.395 19.000 -0.094 0.000 0.902 147 A HN 0.407 nan 8.150 nan 0.000 0.499 148 G N -0.955 107.911 108.800 0.109 0.000 2.562 148 G HA2 0.405 4.365 3.960 0.001 0.000 0.275 148 G HA3 0.405 4.365 3.960 0.001 0.000 0.275 148 G C 0.622 175.543 174.900 0.036 0.000 1.196 148 G CA 0.513 45.675 45.100 0.103 0.000 0.908 148 G HN 0.686 nan 8.290 nan 0.000 0.524 149 S N -1.706 113.944 115.700 -0.084 0.000 2.817 149 S HA 0.185 4.655 4.470 0.001 0.000 0.262 149 S C 0.721 175.210 174.600 -0.186 0.000 1.051 149 S CA 0.299 58.284 58.200 -0.359 0.000 1.185 149 S CB 0.169 62.820 63.200 -0.915 0.000 1.152 149 S HN 0.719 nan 8.310 nan 0.000 0.653 150 T N 2.171 116.695 114.554 -0.049 0.000 2.788 150 T HA 0.463 4.813 4.350 0.001 0.000 0.287 150 T C 0.055 174.776 174.700 0.035 0.000 1.007 150 T CA -0.597 61.499 62.100 -0.006 0.000 1.005 150 T CB 0.242 69.114 68.868 0.007 0.000 1.012 150 T HN 0.479 nan 8.240 nan 0.000 0.530 151 L N 3.439 124.680 121.223 0.030 0.000 2.584 151 L HA 0.268 4.608 4.340 0.001 0.000 0.272 151 L C -0.477 176.399 176.870 0.010 0.000 1.195 151 L CA -0.436 54.418 54.840 0.023 0.000 0.920 151 L CB 0.202 42.264 42.059 0.006 0.000 1.173 151 L HN 0.527 nan 8.230 nan 0.000 0.489 152 L N 6.231 127.458 121.223 0.007 0.000 2.257 152 L HA 0.346 4.687 4.340 0.001 0.000 0.290 152 L C 0.464 177.286 176.870 -0.079 0.000 1.044 152 L CA 0.029 54.875 54.840 0.010 0.000 0.810 152 L CB 1.120 43.230 42.059 0.084 0.000 1.193 152 L HN 0.771 nan 8.230 nan 0.000 0.425 153 T N 1.541 116.070 114.554 -0.042 0.000 2.855 153 T HA 0.250 4.601 4.350 0.001 0.000 0.314 153 T C 0.360 175.040 174.700 -0.033 0.000 1.077 153 T CA -0.344 61.723 62.100 -0.056 0.000 1.095 153 T CB 0.027 68.921 68.868 0.042 0.000 0.987 153 T HN 0.266 nan 8.240 nan 0.000 0.546 154 F N 3.374 123.361 119.950 0.062 0.000 2.572 154 F HA 0.284 4.812 4.527 0.001 0.000 0.370 154 F C 1.463 177.220 175.800 -0.072 0.000 1.103 154 F CA 0.419 58.358 58.000 -0.102 0.000 1.286 154 F CB 0.208 39.086 39.000 -0.204 0.000 1.105 154 F HN 0.779 nan 8.300 nan 0.000 0.583 155 H N 0.282 119.278 119.070 -0.124 0.000 3.064 155 H HA 0.354 4.910 4.556 0.001 0.000 0.352 155 H C -1.623 173.561 175.328 -0.241 0.000 1.260 155 H CA -1.293 54.655 56.048 -0.167 0.000 1.160 155 H CB 0.475 30.142 29.762 -0.158 0.000 1.879 155 H HN 0.496 nan 8.280 nan 0.000 0.544 156 N N 0.917 119.569 118.700 -0.081 0.000 2.518 156 N HA 0.066 4.806 4.740 0.001 0.000 0.266 156 N C -0.241 175.328 175.510 0.099 0.000 1.196 156 N CA -0.334 52.688 53.050 -0.047 0.000 0.947 156 N CB 1.044 39.504 38.487 -0.045 0.000 1.098 156 N HN 0.520 nan 8.380 nan 0.000 0.450 157 E N 1.496 121.791 120.200 0.159 0.000 2.417 157 E HA -0.039 4.312 4.350 0.001 0.000 0.261 157 E C -0.617 175.966 176.600 -0.029 0.000 1.000 157 E CA 0.253 56.781 56.400 0.214 0.000 0.919 157 E CB -0.221 29.585 29.700 0.178 0.000 0.955 157 E HN 0.564 nan 8.360 nan 0.000 0.455 158 N N 2.819 121.495 118.700 -0.040 0.000 2.714 158 N HA -0.327 4.414 4.740 0.001 0.000 0.252 158 N C 0.490 175.873 175.510 -0.211 0.000 1.014 158 N CA 0.091 53.022 53.050 -0.198 0.000 0.735 158 N CB -0.643 37.517 38.487 -0.544 0.000 0.924 158 N HN 0.567 nan 8.380 nan 0.000 0.540 159 A N 0.620 123.409 122.820 -0.051 0.000 1.948 159 A HA -0.207 4.113 4.320 0.001 0.000 0.220 159 A C 1.743 179.281 177.584 -0.077 0.000 1.177 159 A CA 1.868 53.871 52.037 -0.057 0.000 0.636 159 A CB -0.769 18.230 19.000 -0.001 0.000 0.815 159 A HN 0.690 nan 8.150 nan 0.000 0.449 160 F N -0.951 118.893 119.950 -0.176 0.000 2.250 160 F HA -0.055 4.472 4.527 0.001 0.000 0.301 160 F C 1.204 176.913 175.800 -0.152 0.000 1.077 160 F CA 0.971 58.869 58.000 -0.170 0.000 1.348 160 F CB -0.568 38.299 39.000 -0.222 0.000 1.040 160 F HN 0.291 nan 8.300 nan 0.000 0.509 161 H N 2.101 120.429 119.070 -1.237 0.000 2.580 161 H HA 0.105 4.662 4.556 0.001 0.000 0.322 161 H C 1.138 176.143 175.328 -0.539 0.000 1.082 161 H CA 0.195 55.528 56.048 -1.190 0.000 1.383 161 H CB 1.190 30.114 29.762 -1.396 0.000 1.450 161 H HN 0.422 nan 8.280 nan 0.000 0.505 162 E N 3.015 122.999 120.200 -0.360 0.000 2.160 162 E HA -0.186 4.164 4.350 0.001 0.000 0.195 162 E C -0.049 176.370 176.600 -0.301 0.000 0.991 162 E CA 0.962 57.158 56.400 -0.340 0.000 0.810 162 E CB 0.224 29.621 29.700 -0.505 0.000 0.742 162 E HN 0.596 nan 8.360 nan 0.000 0.466 163 H N 0.537 119.814 119.070 0.344 0.000 2.490 163 H HA 0.143 4.699 4.556 0.001 0.000 0.285 163 H C -0.207 175.189 175.328 0.114 0.000 1.127 163 H CA -0.238 55.930 56.048 0.200 0.000 0.993 163 H CB -0.174 29.721 29.762 0.221 0.000 1.653 163 H HN 0.195 nan 8.280 nan 0.000 0.557 164 R N 0.518 121.048 120.500 0.049 0.000 2.811 164 R HA 0.145 4.486 4.340 0.001 0.000 0.265 164 R C -2.662 173.632 176.300 -0.010 0.000 1.026 164 R CA -1.470 54.566 56.100 -0.107 0.000 1.142 164 R CB -0.609 29.563 30.300 -0.213 0.000 1.027 164 R HN -0.115 nan 8.270 nan 0.000 0.465 165 P HA -0.072 nan 4.420 nan 0.000 0.265 165 P C -0.364 176.898 177.300 -0.063 0.000 1.187 165 P CA 0.241 63.320 63.100 -0.035 0.000 0.766 165 P CB 0.495 32.104 31.700 -0.152 0.000 0.820 166 D N 1.536 121.886 120.400 -0.083 0.000 2.162 166 D HA 0.015 4.655 4.640 0.001 0.000 0.205 166 D C 0.358 176.328 176.300 -0.550 0.000 0.964 166 D CA 1.499 55.306 54.000 -0.321 0.000 0.847 166 D CB 0.044 40.638 40.800 -0.344 0.000 0.988 166 D HN 0.313 nan 8.370 nan 0.000 0.480 167 F N 0.065 120.068 119.950 0.088 0.000 2.546 167 F HA 0.397 4.924 4.527 0.001 0.000 0.320 167 F C -0.044 175.854 175.800 0.163 0.000 1.076 167 F CA -1.112 56.959 58.000 0.119 0.000 0.928 167 F CB 2.016 41.094 39.000 0.130 0.000 1.189 167 F HN -0.432 nan 8.300 nan 0.000 0.465 168 V N 3.736 123.854 119.914 0.339 0.000 2.409 168 V HA 0.476 4.596 4.120 0.001 0.000 0.291 168 V C -0.294 175.891 176.094 0.151 0.000 1.020 168 V CA -0.704 61.770 62.300 0.290 0.000 0.848 168 V CB 1.535 33.469 31.823 0.186 0.000 0.990 168 V HN 0.677 nan 8.190 nan 0.000 0.430 169 M N 6.153 125.813 119.600 0.100 0.000 2.294 169 M HA 0.622 5.102 4.480 0.001 0.000 0.335 169 M C -1.213 175.063 176.300 -0.040 0.000 1.079 169 M CA -0.402 54.897 55.300 -0.001 0.000 0.982 169 M CB 2.042 34.625 32.600 -0.027 0.000 1.651 169 M HN 0.391 nan 8.290 nan 0.000 0.437 170 L N 4.523 125.708 121.223 -0.064 0.000 2.372 170 L HA 0.509 4.849 4.340 0.001 0.000 0.273 170 L C -1.242 175.584 176.870 -0.073 0.000 0.989 170 L CA -0.727 54.075 54.840 -0.064 0.000 0.841 170 L CB 1.884 43.903 42.059 -0.067 0.000 1.225 170 L HN 0.536 nan 8.230 nan 0.000 0.414 171 L N 4.011 125.189 121.223 -0.075 0.000 2.272 171 L HA 0.454 4.794 4.340 0.001 0.000 0.289 171 L C -0.300 176.507 176.870 -0.105 0.000 1.032 171 L CA -0.068 54.719 54.840 -0.089 0.000 0.810 171 L CB 1.366 43.366 42.059 -0.099 0.000 1.205 171 L HN 0.712 nan 8.230 nan 0.000 0.422 172 C N 6.228 125.469 119.300 -0.097 0.000 2.482 172 C HA 0.326 4.786 4.460 0.001 0.000 0.378 172 C C 1.464 176.364 174.990 -0.151 0.000 1.284 172 C CA -0.550 58.410 59.018 -0.096 0.000 1.826 172 C CB -0.967 26.735 27.740 -0.063 0.000 2.473 172 C HN 0.985 nan 8.230 nan 0.000 0.562 173 L N 3.736 124.824 121.223 -0.225 0.000 2.286 173 L HA 0.310 4.650 4.340 0.001 0.000 0.203 173 L C 1.271 178.048 176.870 -0.155 0.000 1.068 173 L CA 0.514 55.160 54.840 -0.323 0.000 0.811 173 L CB -0.288 41.309 42.059 -0.771 0.000 0.989 173 L HN 0.641 nan 8.230 nan 0.000 0.467 174 R N 0.479 120.959 120.500 -0.033 0.000 2.533 174 R HA 0.565 4.906 4.340 0.001 0.000 0.288 174 R C -0.890 175.439 176.300 0.049 0.000 1.039 174 R CA -0.353 55.780 56.100 0.055 0.000 0.909 174 R CB 1.862 32.269 30.300 0.178 0.000 1.195 174 R HN 0.034 nan 8.270 nan 0.000 0.438 175 A N 2.656 125.484 122.820 0.013 0.000 2.366 175 A HA 0.099 4.419 4.320 0.001 0.000 0.249 175 A C -0.390 177.182 177.584 -0.021 0.000 1.084 175 A CA -0.192 51.836 52.037 -0.014 0.000 0.794 175 A CB 0.363 19.352 19.000 -0.019 0.000 1.034 175 A HN 0.810 nan 8.150 nan 0.000 0.491 176 D N 1.633 121.983 120.400 -0.083 0.000 2.389 176 D HA 0.136 4.776 4.640 0.001 0.000 0.263 176 D C -1.225 175.043 176.300 -0.053 0.000 1.255 176 D CA -1.209 52.719 54.000 -0.120 0.000 0.914 176 D CB 0.738 41.359 40.800 -0.299 0.000 1.116 176 D HN 0.192 nan 8.370 nan 0.000 0.502 177 P HA -0.104 nan 4.420 nan 0.000 0.229 177 P C 1.066 178.370 177.300 0.006 0.000 1.160 177 P CA 0.824 63.925 63.100 0.003 0.000 0.777 177 P CB -0.060 31.650 31.700 0.018 0.000 0.814 178 T N -4.523 110.039 114.554 0.013 0.000 3.055 178 T HA 0.195 4.545 4.350 0.001 0.000 0.265 178 T C 1.678 176.389 174.700 0.018 0.000 1.111 178 T CA 1.070 63.188 62.100 0.029 0.000 1.118 178 T CB -1.068 67.842 68.868 0.070 0.000 0.909 178 T HN 0.226 nan 8.240 nan 0.000 0.501 179 G N 1.387 110.184 108.800 -0.006 0.000 2.179 179 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 179 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 179 G C 1.065 175.962 174.900 -0.005 0.000 0.977 179 G CA 0.375 45.469 45.100 -0.009 0.000 0.641 179 G HN 0.559 nan 8.290 nan 0.000 0.533 180 R N 0.187 120.692 120.500 0.008 0.000 2.206 180 R HA 0.502 4.842 4.340 0.001 0.000 0.198 180 R C 1.573 177.877 176.300 0.007 0.000 0.986 180 R CA 0.693 56.816 56.100 0.038 0.000 1.029 180 R CB 0.275 30.639 30.300 0.105 0.000 0.966 180 R HN 0.542 nan 8.270 nan 0.000 0.487 181 A N 1.093 123.837 122.820 -0.127 0.000 2.363 181 A HA 0.586 4.907 4.320 0.001 0.000 0.270 181 A C 0.020 177.519 177.584 -0.142 0.000 1.121 181 A CA 0.056 51.936 52.037 -0.261 0.000 0.800 181 A CB 0.825 19.313 19.000 -0.853 0.000 1.052 181 A HN 0.301 nan 8.150 nan 0.000 0.493 182 G N 0.766 109.526 108.800 -0.067 0.000 2.746 182 G HA2 0.532 4.492 3.960 0.001 0.000 0.297 182 G HA3 0.532 4.492 3.960 0.001 0.000 0.297 182 G C -1.210 173.710 174.900 0.033 0.000 1.426 182 G CA -0.667 44.425 45.100 -0.012 0.000 0.989 182 G HN 1.030 nan 8.290 nan 0.000 0.520 183 L N 1.304 122.575 121.223 0.081 0.000 2.416 183 L HA 0.599 4.939 4.340 0.001 0.000 0.272 183 L C 0.344 177.343 176.870 0.214 0.000 1.161 183 L CA -0.086 54.837 54.840 0.138 0.000 0.845 183 L CB 0.281 42.418 42.059 0.129 0.000 1.119 183 L HN 0.508 nan 8.230 nan 0.000 0.464 184 R N 3.038 123.655 120.500 0.194 0.000 2.494 184 R HA 0.602 4.942 4.340 0.001 0.000 0.305 184 R C -0.831 175.683 176.300 0.358 0.000 0.959 184 R CA -0.532 55.718 56.100 0.250 0.000 0.864 184 R CB 1.676 32.103 30.300 0.213 0.000 1.159 184 R HN 0.783 nan 8.270 nan 0.000 0.446 185 T N -1.110 113.647 114.554 0.337 0.000 2.861 185 T HA 0.754 5.105 4.350 0.001 0.000 0.287 185 T C -0.615 174.155 174.700 0.117 0.000 1.003 185 T CA -0.900 61.355 62.100 0.258 0.000 0.977 185 T CB 2.020 71.047 68.868 0.265 0.000 0.996 185 T HN 0.605 nan 8.240 nan 0.000 0.448 186 A N 1.807 124.587 122.820 -0.066 0.000 2.359 186 A HA 0.685 5.006 4.320 0.001 0.000 0.303 186 A C -0.135 177.364 177.584 -0.141 0.000 1.066 186 A CA -0.883 51.045 52.037 -0.182 0.000 0.730 186 A CB 0.916 19.618 19.000 -0.496 0.000 1.211 186 A HN 1.164 nan 8.150 nan 0.000 0.439 187 C N 2.623 121.904 119.300 -0.031 0.000 2.341 187 C HA 0.459 4.919 4.460 0.001 0.000 0.338 187 C C 1.850 176.858 174.990 0.030 0.000 1.257 187 C CA -0.020 58.992 59.018 -0.011 0.000 1.883 187 C CB 0.724 28.460 27.740 -0.008 0.000 2.334 187 C HN 0.997 nan 8.230 nan 0.000 0.524 188 V N 6.312 126.246 119.914 0.033 0.000 2.720 188 V HA -0.109 4.012 4.120 0.001 0.000 0.256 188 V C 2.355 178.450 176.094 0.003 0.000 1.082 188 V CA 1.960 64.283 62.300 0.039 0.000 1.101 188 V CB -0.673 31.151 31.823 0.001 0.000 0.693 188 V HN 0.971 nan 8.190 nan 0.000 0.479 189 R N -0.605 119.894 120.500 -0.002 0.000 2.148 189 R HA -0.045 4.295 4.340 0.001 0.000 0.227 189 R C 2.385 178.686 176.300 0.001 0.000 1.103 189 R CA 1.083 57.181 56.100 -0.004 0.000 0.983 189 R CB -0.256 30.038 30.300 -0.010 0.000 0.874 189 R HN 0.394 nan 8.270 nan 0.000 0.451 190 R N 0.024 120.529 120.500 0.009 0.000 2.119 190 R HA 0.017 4.358 4.340 0.001 0.000 0.222 190 R C 2.180 178.488 176.300 0.014 0.000 1.088 190 R CA 0.813 56.923 56.100 0.016 0.000 0.984 190 R CB -0.398 29.917 30.300 0.026 0.000 0.884 190 R HN 0.117 nan 8.270 nan 0.000 0.447 191 V N 1.398 121.315 119.914 0.006 0.000 2.346 191 V HA -0.153 3.968 4.120 0.001 0.000 0.244 191 V C 2.352 178.378 176.094 -0.114 0.000 1.037 191 V CA 0.967 63.241 62.300 -0.043 0.000 1.029 191 V CB -0.527 31.262 31.823 -0.057 0.000 0.663 191 V HN 0.090 nan 8.190 nan 0.000 0.454 192 L N 1.320 122.493 121.223 -0.083 0.000 2.013 192 L HA -0.112 4.229 4.340 0.001 0.000 0.212 192 L C -0.187 176.640 176.870 -0.073 0.000 1.073 192 L CA 2.531 57.320 54.840 -0.086 0.000 0.753 192 L CB -1.713 40.325 42.059 -0.036 0.000 0.890 192 L HN 0.292 nan 8.230 nan 0.000 0.432 193 P HA -0.098 nan 4.420 nan 0.000 0.228 193 P C 1.624 178.898 177.300 -0.043 0.000 1.151 193 P CA 1.254 64.338 63.100 -0.027 0.000 0.770 193 P CB 0.004 31.700 31.700 -0.006 0.000 0.786 194 L N -2.442 118.731 121.223 -0.083 0.000 2.513 194 L HA 0.140 4.481 4.340 0.001 0.000 0.222 194 L C 1.044 177.771 176.870 -0.240 0.000 1.096 194 L CA -0.119 54.667 54.840 -0.089 0.000 0.857 194 L CB -0.266 41.797 42.059 0.008 0.000 1.026 194 L HN -0.069 nan 8.230 nan 0.000 0.469 195 L N 0.622 121.652 121.223 -0.323 0.000 2.417 195 L HA 0.134 4.475 4.340 0.001 0.000 0.268 195 L C 0.964 177.741 176.870 -0.156 0.000 1.158 195 L CA -0.233 54.391 54.840 -0.360 0.000 0.819 195 L CB 1.066 42.940 42.059 -0.310 0.000 1.112 195 L HN 0.163 nan 8.230 nan 0.000 0.458 196 S N 0.174 115.808 115.700 -0.110 0.000 2.579 196 S HA 0.023 4.494 4.470 0.001 0.000 0.275 196 S C 0.635 175.221 174.600 -0.023 0.000 1.345 196 S CA -0.729 57.448 58.200 -0.039 0.000 1.031 196 S CB 1.035 64.228 63.200 -0.013 0.000 0.892 196 S HN 0.593 nan 8.310 nan 0.000 0.529 197 D N 1.895 122.293 120.400 -0.003 0.000 2.123 197 D HA -0.128 4.513 4.640 0.001 0.000 0.196 197 D C 2.300 178.617 176.300 0.028 0.000 0.992 197 D CA 1.974 55.983 54.000 0.015 0.000 0.833 197 D CB -0.677 40.131 40.800 0.014 0.000 0.954 197 D HN 0.772 nan 8.370 nan 0.000 0.455 198 S N -0.566 115.146 115.700 0.020 0.000 2.382 198 S HA -0.131 4.339 4.470 0.001 0.000 0.228 198 S C 2.076 176.698 174.600 0.036 0.000 1.027 198 S CA 1.462 59.679 58.200 0.028 0.000 0.991 198 S CB -0.674 62.537 63.200 0.019 0.000 0.823 198 S HN 0.110 nan 8.310 nan 0.000 0.469 199 T N 2.246 116.810 114.554 0.016 0.000 2.777 199 T HA 0.025 4.375 4.350 0.001 0.000 0.266 199 T C 1.932 176.640 174.700 0.014 0.000 1.040 199 T CA 1.315 63.419 62.100 0.007 0.000 1.141 199 T CB -0.540 68.302 68.868 -0.043 0.000 0.868 199 T HN 0.283 nan 8.240 nan 0.000 0.444 200 V N 2.218 122.142 119.914 0.017 0.000 2.287 200 V HA -0.203 3.918 4.120 0.001 0.000 0.248 200 V C 2.375 178.600 176.094 0.217 0.000 1.053 200 V CA 1.830 64.174 62.300 0.073 0.000 1.027 200 V CB -0.612 31.280 31.823 0.114 0.000 0.646 200 V HN 0.421 nan 8.190 nan 0.000 0.447 201 D N 0.369 120.883 120.400 0.190 0.000 2.123 201 D HA -0.150 4.491 4.640 0.001 0.000 0.196 201 D C 2.232 178.661 176.300 0.215 0.000 0.992 201 D CA 1.730 55.858 54.000 0.213 0.000 0.833 201 D CB -0.394 40.473 40.800 0.113 0.000 0.954 201 D HN 0.453 nan 8.370 nan 0.000 0.455 202 A N 0.678 123.592 122.820 0.157 0.000 1.902 202 A HA -0.125 4.196 4.320 0.001 0.000 0.217 202 A C 2.373 180.149 177.584 0.320 0.000 1.181 202 A CA 0.946 53.092 52.037 0.181 0.000 0.623 202 A CB -0.797 18.291 19.000 0.146 0.000 0.818 202 A HN 0.232 nan 8.150 nan 0.000 0.443 203 L N -2.796 118.534 121.223 0.179 0.000 2.275 203 L HA -0.148 4.193 4.340 0.001 0.000 0.215 203 L C 2.160 178.956 176.870 -0.124 0.000 1.119 203 L CA 0.602 55.411 54.840 -0.051 0.000 0.790 203 L CB -0.338 41.527 42.059 -0.323 0.000 0.919 203 L HN 0.615 nan 8.230 nan 0.000 0.443 204 W N 0.025 121.374 121.300 0.080 0.000 3.047 204 W HA 0.207 4.867 4.660 0.001 0.000 0.250 204 W C 1.222 177.799 176.519 0.097 0.000 1.314 204 W CA -0.293 57.087 57.345 0.058 0.000 1.540 204 W CB 0.112 29.588 29.460 0.026 0.000 1.127 204 W HN -0.057 nan 8.180 nan 0.000 0.679 205 A N 1.909 124.934 122.820 0.341 0.000 2.304 205 A HA 0.374 4.695 4.320 0.001 0.000 0.301 205 A C -2.123 175.600 177.584 0.230 0.000 1.132 205 A CA -1.485 50.689 52.037 0.229 0.000 0.819 205 A CB 0.138 19.220 19.000 0.137 0.000 1.094 205 A HN -0.117 nan 8.150 nan 0.000 0.492 206 P HA 0.178 nan 4.420 nan 0.000 0.230 206 P C -0.558 176.760 177.300 0.030 0.000 1.791 206 P CA 0.459 63.631 63.100 0.121 0.000 1.020 206 P CB -0.215 31.532 31.700 0.078 0.000 1.977 207 E N 0.540 120.698 120.200 -0.070 0.000 2.887 207 E HA 0.230 4.581 4.350 0.001 0.000 0.206 207 E C -0.749 175.451 176.600 -0.666 0.000 0.983 207 E CA -0.175 56.003 56.400 -0.370 0.000 1.141 207 E CB 0.230 29.645 29.700 -0.475 0.000 1.061 207 E HN 0.301 nan 8.360 nan 0.000 0.468 208 F N 0.789 120.733 119.950 -0.009 0.000 2.547 208 F HA 0.453 4.980 4.527 0.001 0.000 0.316 208 F C -0.008 175.785 175.800 -0.012 0.000 1.121 208 F CA -1.157 56.836 58.000 -0.013 0.000 0.911 208 F CB 1.599 40.588 39.000 -0.019 0.000 1.179 208 F HN -0.181 nan 8.300 nan 0.000 0.443 209 R N 1.350 121.934 120.500 0.140 0.000 2.437 209 R HA 0.761 5.101 4.340 0.001 0.000 0.310 209 R C -1.575 174.764 176.300 0.065 0.000 0.955 209 R CA -0.194 55.951 56.100 0.075 0.000 0.851 209 R CB 1.690 32.007 30.300 0.028 0.000 1.161 209 R HN 0.687 nan 8.270 nan 0.000 0.446 210 T N 3.116 117.701 114.554 0.052 0.000 2.812 210 T HA 0.653 5.003 4.350 0.001 0.000 0.282 210 T C -0.658 174.044 174.700 0.004 0.000 0.990 210 T CA -0.500 61.622 62.100 0.037 0.000 0.960 210 T CB 1.655 70.556 68.868 0.054 0.000 0.948 210 T HN 0.760 nan 8.240 nan 0.000 0.438 211 A N 4.427 127.209 122.820 -0.064 0.000 2.256 211 A HA 0.886 5.206 4.320 0.001 0.000 0.318 211 A C -2.600 174.759 177.584 -0.374 0.000 1.103 211 A CA -2.046 49.876 52.037 -0.191 0.000 0.860 211 A CB 0.039 18.940 19.000 -0.164 0.000 1.182 211 A HN 0.509 nan 8.150 nan 0.000 0.501 212 P HA 0.234 nan 4.420 nan 0.000 0.269 212 P C -2.464 174.551 177.300 -0.474 0.000 1.215 212 P CA -0.789 61.595 63.100 -1.193 0.000 0.780 212 P CB -0.201 30.677 31.700 -1.369 0.000 0.898 213 P HA 0.141 nan 4.420 nan 0.000 0.274 213 P C -1.962 175.349 177.300 0.018 0.000 1.246 213 P CA -1.647 61.395 63.100 -0.096 0.000 0.795 213 P CB -0.494 31.194 31.700 -0.020 0.000 1.006 214 P HA -0.162 nan 4.420 nan 0.000 0.219 214 P C 1.562 178.989 177.300 0.213 0.000 1.146 214 P CA 1.592 64.748 63.100 0.093 0.000 0.808 214 P CB -0.547 31.180 31.700 0.045 0.000 0.779 215 S N -2.045 113.802 115.700 0.246 0.000 2.440 215 S HA -0.149 4.321 4.470 0.001 0.000 0.238 215 S C 1.805 176.522 174.600 0.196 0.000 1.010 215 S CA 0.848 59.186 58.200 0.229 0.000 0.972 215 S CB -1.543 61.804 63.200 0.244 0.000 0.774 215 S HN 0.074 nan 8.310 nan 0.000 0.501 216 F N 2.326 122.306 119.950 0.049 0.000 2.138 216 F HA 0.200 4.727 4.527 0.001 0.000 0.283 216 F C 1.878 177.690 175.800 0.021 0.000 1.100 216 F CA 0.786 58.809 58.000 0.039 0.000 1.189 216 F CB -0.005 38.976 39.000 -0.031 0.000 1.060 216 F HN 0.357 nan 8.300 nan 0.000 0.492 217 Q N -0.398 119.517 119.800 0.191 0.000 3.093 217 Q HA 0.395 4.735 4.340 0.001 0.000 0.330 217 Q C -1.424 174.611 176.000 0.058 0.000 0.947 217 Q CA -0.930 54.936 55.803 0.104 0.000 0.801 217 Q CB 1.159 29.937 28.738 0.066 0.000 1.470 217 Q HN -0.050 nan 8.270 nan 0.000 0.498 218 L N 1.600 122.848 121.223 0.042 0.000 2.331 218 L HA 0.206 4.546 4.340 0.001 0.000 0.278 218 L C -0.056 176.794 176.870 -0.034 0.000 1.106 218 L CA 0.911 55.746 54.840 -0.008 0.000 0.824 218 L CB 0.840 42.898 42.059 -0.001 0.000 1.142 218 L HN 0.868 nan 8.230 nan 0.000 0.443 219 S N 1.423 117.085 115.700 -0.064 0.000 3.559 219 S HA -0.158 4.312 4.470 0.001 0.000 0.369 219 S C 0.770 175.330 174.600 -0.068 0.000 0.987 219 S CA 0.550 58.710 58.200 -0.067 0.000 1.187 219 S CB -1.667 61.502 63.200 -0.053 0.000 0.914 219 S HN 1.088 nan 8.310 nan 0.000 0.480 220 G N 1.642 110.385 108.800 -0.095 0.000 2.684 220 G HA2 0.476 4.437 3.960 0.001 0.000 0.255 220 G HA3 0.476 4.437 3.960 0.001 0.000 0.255 220 G C -2.025 172.804 174.900 -0.118 0.000 1.219 220 G CA -1.096 43.937 45.100 -0.112 0.000 0.901 220 G HN 0.339 nan 8.290 nan 0.000 0.548 221 P HA 0.200 nan 4.420 nan 0.000 0.276 221 P C -0.413 176.828 177.300 -0.098 0.000 1.230 221 P CA -0.097 62.956 63.100 -0.078 0.000 0.776 221 P CB 1.030 32.702 31.700 -0.046 0.000 0.888 222 E N 1.953 122.113 120.200 -0.068 0.000 2.338 222 E HA 0.101 4.451 4.350 0.001 0.000 0.272 222 E C 0.367 176.955 176.600 -0.019 0.000 1.029 222 E CA -0.491 55.878 56.400 -0.052 0.000 0.872 222 E CB 0.613 30.292 29.700 -0.034 0.000 1.015 222 E HN 0.403 nan 8.360 nan 0.000 0.417 223 E N 0.887 121.091 120.200 0.007 0.000 2.409 223 E HA 0.166 4.517 4.350 0.001 0.000 0.257 223 E C -0.138 176.472 176.600 0.016 0.000 1.150 223 E CA -0.255 56.160 56.400 0.025 0.000 0.942 223 E CB 0.640 30.372 29.700 0.053 0.000 0.979 223 E HN 0.569 nan 8.360 nan 0.000 0.447 224 A N 2.332 125.159 122.820 0.011 0.000 2.448 224 A HA 0.265 4.585 4.320 0.001 0.000 0.239 224 A C -2.025 175.572 177.584 0.022 0.000 1.080 224 A CA -0.893 51.150 52.037 0.010 0.000 0.779 224 A CB -0.719 18.285 19.000 0.006 0.000 1.026 224 A HN 0.289 nan 8.150 nan 0.000 0.499 225 P HA 0.416 nan 4.420 nan 0.000 0.268 225 P C -0.418 176.916 177.300 0.058 0.000 1.204 225 P CA 0.613 63.734 63.100 0.036 0.000 0.768 225 P CB 0.897 32.601 31.700 0.008 0.000 0.842 226 A N 3.962 126.846 122.820 0.107 0.000 2.610 226 A HA 0.742 5.062 4.320 0.001 0.000 0.291 226 A C -3.017 174.691 177.584 0.208 0.000 1.086 226 A CA -1.602 50.504 52.037 0.114 0.000 0.677 226 A CB 0.799 19.837 19.000 0.063 0.000 1.278 226 A HN 0.244 nan 8.150 nan 0.000 0.414 227 P HA 0.386 nan 4.420 nan 0.000 0.274 227 P C 0.647 177.888 177.300 -0.099 0.000 1.246 227 P CA -0.277 62.911 63.100 0.147 0.000 0.795 227 P CB 0.794 32.569 31.700 0.125 0.000 1.006 228 V N 0.636 120.307 119.914 -0.405 0.000 2.446 228 V HA -0.031 4.090 4.120 0.001 0.000 0.244 228 V C 1.163 176.993 176.094 -0.441 0.000 1.039 228 V CA 1.212 63.196 62.300 -0.527 0.000 1.045 228 V CB -0.542 30.780 31.823 -0.835 0.000 0.681 228 V HN 0.359 nan 8.190 nan 0.000 0.459 229 L N 0.944 121.796 121.223 -0.619 0.000 2.350 229 L HA 0.469 4.810 4.340 0.001 0.000 0.275 229 L C -0.763 175.716 176.870 -0.652 0.000 1.099 229 L CA 0.072 54.380 54.840 -0.887 0.000 0.808 229 L CB 1.043 42.031 42.059 -1.786 0.000 1.149 229 L HN 0.143 nan 8.230 nan 0.000 0.442 230 L N 1.892 122.911 121.223 -0.339 0.000 2.409 230 L HA 0.771 5.112 4.340 0.001 0.000 0.262 230 L C 0.536 177.529 176.870 0.205 0.000 0.992 230 L CA -0.409 54.456 54.840 0.042 0.000 0.817 230 L CB 1.900 43.948 42.059 -0.020 0.000 1.350 230 L HN 0.841 nan 8.230 nan 0.000 0.411 231 G N 2.078 111.049 108.800 0.286 0.000 2.509 231 G HA2 -0.285 3.675 3.960 0.001 0.000 0.256 231 G HA3 -0.285 3.675 3.960 0.001 0.000 0.256 231 G C -0.492 174.549 174.900 0.233 0.000 1.152 231 G CA 0.198 45.415 45.100 0.195 0.000 0.951 231 G HN 0.773 nan 8.290 nan 0.000 0.559 232 D N 0.508 121.007 120.400 0.166 0.000 2.424 232 D HA 0.448 5.088 4.640 0.001 0.000 0.244 232 D C 1.886 178.306 176.300 0.201 0.000 1.134 232 D CA -0.165 53.903 54.000 0.114 0.000 0.881 232 D CB 0.587 41.430 40.800 0.072 0.000 1.191 232 D HN 0.395 nan 8.370 nan 0.000 0.445 233 R N 1.940 122.470 120.500 0.050 0.000 2.115 233 R HA -0.055 4.286 4.340 0.001 0.000 0.230 233 R C 1.607 178.007 176.300 0.168 0.000 1.111 233 R CA 0.808 56.946 56.100 0.063 0.000 0.976 233 R CB -0.271 29.935 30.300 -0.157 0.000 0.870 233 R HN 0.416 nan 8.270 nan 0.000 0.445 234 S N -0.009 115.748 115.700 0.095 0.000 2.456 234 S HA -0.051 4.420 4.470 0.001 0.000 0.224 234 S C 0.484 175.129 174.600 0.075 0.000 1.035 234 S CA 0.352 58.597 58.200 0.075 0.000 0.940 234 S CB 0.278 63.501 63.200 0.038 0.000 0.799 234 S HN 0.193 nan 8.310 nan 0.000 0.508 235 D N 1.774 122.221 120.400 0.078 0.000 2.739 235 D HA 0.283 4.924 4.640 0.001 0.000 0.335 235 D C -2.750 173.590 176.300 0.066 0.000 1.216 235 D CA -2.175 51.857 54.000 0.053 0.000 0.808 235 D CB 0.784 41.603 40.800 0.032 0.000 1.121 235 D HN 0.119 nan 8.370 nan 0.000 0.499 236 P HA 0.248 nan 4.420 nan 0.000 0.276 236 P C -0.234 177.058 177.300 -0.013 0.000 1.252 236 P CA -0.325 62.824 63.100 0.081 0.000 0.802 236 P CB 1.368 33.094 31.700 0.043 0.000 1.035 237 D N -0.003 120.378 120.400 -0.032 0.000 2.423 237 D HA 0.485 5.126 4.640 0.001 0.000 0.255 237 D C 0.268 176.490 176.300 -0.131 0.000 1.174 237 D CA -0.064 53.892 54.000 -0.074 0.000 1.008 237 D CB 0.519 41.280 40.800 -0.065 0.000 1.101 237 D HN 0.357 nan 8.370 nan 0.000 0.516 238 L N -2.388 118.759 121.223 -0.127 0.000 2.409 238 L HA 0.737 5.078 4.340 0.001 0.000 0.255 238 L C -0.977 175.816 176.870 -0.128 0.000 1.027 238 L CA -1.036 53.708 54.840 -0.159 0.000 0.834 238 L CB 2.618 44.592 42.059 -0.141 0.000 1.426 238 L HN 0.239 nan 8.230 nan 0.000 0.411 239 R N 2.039 122.453 120.500 -0.144 0.000 2.631 239 R HA 0.756 5.097 4.340 0.001 0.000 0.289 239 R C -2.339 173.893 176.300 -0.113 0.000 1.303 239 R CA -0.365 55.668 56.100 -0.112 0.000 0.989 239 R CB 1.939 32.175 30.300 -0.106 0.000 1.208 239 R HN 0.703 nan 8.270 nan 0.000 0.461 240 V N 2.909 122.785 119.914 -0.063 0.000 3.147 240 V HA 0.477 4.598 4.120 0.001 0.000 0.299 240 V C -2.058 174.057 176.094 0.035 0.000 1.302 240 V CA -0.593 61.690 62.300 -0.030 0.000 1.015 240 V CB 2.406 34.215 31.823 -0.024 0.000 1.086 240 V HN 0.793 nan 8.190 nan 0.000 0.437 241 D N 4.157 124.593 120.400 0.061 0.000 2.602 241 D HA 0.317 4.957 4.640 0.001 0.000 0.245 241 D C 0.567 176.926 176.300 0.098 0.000 1.325 241 D CA -0.366 53.691 54.000 0.095 0.000 0.952 241 D CB 2.015 42.844 40.800 0.049 0.000 1.317 241 D HN 0.479 nan 8.370 nan 0.000 0.577 242 L N 2.431 123.742 121.223 0.147 0.000 2.362 242 L HA -0.049 4.292 4.340 0.001 0.000 0.219 242 L C 2.176 179.095 176.870 0.082 0.000 1.134 242 L CA 1.187 56.112 54.840 0.142 0.000 0.807 242 L CB -0.028 42.158 42.059 0.211 0.000 0.927 242 L HN 0.458 nan 8.230 nan 0.000 0.447 243 A N -0.792 122.055 122.820 0.045 0.000 1.956 243 A HA 0.223 4.543 4.320 0.001 0.000 0.212 243 A C 2.219 179.794 177.584 -0.015 0.000 1.188 243 A CA 0.992 53.030 52.037 0.001 0.000 0.675 243 A CB -0.170 18.809 19.000 -0.035 0.000 0.845 243 A HN 0.302 nan 8.150 nan 0.000 0.455 244 A N -1.204 121.607 122.820 -0.015 0.000 2.303 244 A HA 0.360 4.681 4.320 0.001 0.000 0.217 244 A C 0.756 178.339 177.584 -0.003 0.000 1.205 244 A CA 0.527 52.544 52.037 -0.033 0.000 0.875 244 A CB -0.068 18.894 19.000 -0.064 0.000 0.910 244 A HN 0.222 nan 8.150 nan 0.000 0.501 245 T N 2.133 116.706 114.554 0.033 0.000 2.733 245 T HA 0.380 4.730 4.350 0.001 0.000 0.294 245 T C -0.726 174.026 174.700 0.086 0.000 0.956 245 T CA -0.285 61.856 62.100 0.069 0.000 0.987 245 T CB 0.923 69.843 68.868 0.086 0.000 0.920 245 T HN 0.227 nan 8.240 nan 0.000 0.470 246 E N 4.893 125.139 120.200 0.077 0.000 2.156 246 E HA 0.309 4.660 4.350 0.001 0.000 0.279 246 E C -2.365 174.274 176.600 0.065 0.000 0.965 246 E CA -2.639 53.794 56.400 0.055 0.000 0.789 246 E CB 1.486 31.195 29.700 0.016 0.000 1.098 246 E HN 0.353 nan 8.360 nan 0.000 0.397 247 P HA 0.095 nan 4.420 nan 0.000 0.280 247 P C 0.604 177.828 177.300 -0.127 0.000 1.244 247 P CA -0.222 62.827 63.100 -0.085 0.000 0.784 247 P CB 1.244 32.910 31.700 -0.058 0.000 0.913 248 V N 1.602 121.388 119.914 -0.212 0.000 3.174 248 V HA 0.012 4.132 4.120 0.001 0.000 0.254 248 V C 1.465 177.476 176.094 -0.139 0.000 1.120 248 V CA 1.801 64.013 62.300 -0.147 0.000 1.114 248 V CB -0.415 31.323 31.823 -0.143 0.000 0.756 248 V HN 0.733 nan 8.190 nan 0.000 0.467 249 T N -3.475 110.967 114.554 -0.186 0.000 2.910 249 T HA 0.372 4.723 4.350 0.001 0.000 0.287 249 T C 0.798 175.431 174.700 -0.112 0.000 1.050 249 T CA -0.084 61.935 62.100 -0.135 0.000 1.011 249 T CB 2.422 71.204 68.868 -0.142 0.000 1.195 249 T HN 0.178 nan 8.240 nan 0.000 0.540 250 E N 0.449 120.605 120.200 -0.073 0.000 2.072 250 E HA -0.194 4.156 4.350 0.001 0.000 0.191 250 E C 2.105 178.679 176.600 -0.044 0.000 0.985 250 E CA 1.136 57.507 56.400 -0.049 0.000 0.801 250 E CB -0.078 29.603 29.700 -0.033 0.000 0.750 250 E HN 0.705 nan 8.360 nan 0.000 0.452 251 R N 0.292 120.762 120.500 -0.051 0.000 2.115 251 R HA 0.041 4.382 4.340 0.001 0.000 0.230 251 R C 2.236 178.519 176.300 -0.027 0.000 1.111 251 R CA 1.161 57.243 56.100 -0.030 0.000 0.976 251 R CB -0.451 29.836 30.300 -0.021 0.000 0.870 251 R HN 0.116 nan 8.270 nan 0.000 0.445 252 A N 1.607 124.357 122.820 -0.117 0.000 1.930 252 A HA 0.060 4.381 4.320 0.001 0.000 0.217 252 A C 2.530 180.129 177.584 0.026 0.000 1.175 252 A CA 1.346 53.277 52.037 -0.178 0.000 0.627 252 A CB -0.718 17.850 19.000 -0.721 0.000 0.815 252 A HN 0.519 nan 8.150 nan 0.000 0.443 253 A N -0.125 122.685 122.820 -0.017 0.000 1.858 253 A HA -0.218 4.102 4.320 0.001 0.000 0.216 253 A C 2.043 179.653 177.584 0.043 0.000 1.190 253 A CA 1.898 53.951 52.037 0.025 0.000 0.617 253 A CB -0.643 18.356 19.000 -0.001 0.000 0.827 253 A HN 0.662 nan 8.150 nan 0.000 0.443 254 E N -0.200 120.016 120.200 0.028 0.000 2.110 254 E HA -0.134 4.216 4.350 0.001 0.000 0.193 254 E C 2.111 178.734 176.600 0.039 0.000 0.988 254 E CA 1.094 57.511 56.400 0.028 0.000 0.804 254 E CB -0.281 29.429 29.700 0.018 0.000 0.745 254 E HN 0.536 nan 8.360 nan 0.000 0.458 255 A N 1.098 123.957 122.820 0.065 0.000 1.883 255 A HA -0.184 4.136 4.320 0.001 0.000 0.217 255 A C 2.216 179.822 177.584 0.037 0.000 1.186 255 A CA 1.372 53.451 52.037 0.070 0.000 0.624 255 A CB -0.742 18.361 19.000 0.173 0.000 0.822 255 A HN 0.333 nan 8.150 nan 0.000 0.444 256 L N -1.253 120.029 121.223 0.099 0.000 2.046 256 L HA -0.194 4.146 4.340 0.001 0.000 0.208 256 L C 2.913 179.793 176.870 0.017 0.000 1.077 256 L CA 1.432 56.305 54.840 0.057 0.000 0.747 256 L CB -0.502 41.634 42.059 0.128 0.000 0.896 256 L HN 0.378 nan 8.230 nan 0.000 0.432 257 R N -0.144 120.375 120.500 0.032 0.000 2.081 257 R HA -0.216 4.124 4.340 0.001 0.000 0.235 257 R C 2.223 178.530 176.300 0.012 0.000 1.131 257 R CA 1.682 57.798 56.100 0.026 0.000 0.960 257 R CB -0.274 30.043 30.300 0.028 0.000 0.856 257 R HN 0.414 nan 8.270 nan 0.000 0.436 258 E N 0.615 120.822 120.200 0.012 0.000 2.107 258 E HA -0.176 4.174 4.350 0.001 0.000 0.191 258 E C 1.938 178.561 176.600 0.038 0.000 0.982 258 E CA 0.572 57.005 56.400 0.054 0.000 0.809 258 E CB 0.089 29.815 29.700 0.044 0.000 0.756 258 E HN 0.075 nan 8.360 nan 0.000 0.459 259 L N 1.441 122.575 121.223 -0.148 0.000 1.994 259 L HA -0.231 4.109 4.340 0.001 0.000 0.208 259 L C 2.506 179.037 176.870 -0.564 0.000 1.071 259 L CA 2.075 56.647 54.840 -0.447 0.000 0.745 259 L CB -0.830 40.924 42.059 -0.509 0.000 0.892 259 L HN 0.158 nan 8.230 nan 0.000 0.431 260 Q N -0.015 119.643 119.800 -0.238 0.000 2.077 260 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 260 Q C 2.134 178.146 176.000 0.020 0.000 0.989 260 Q CA 2.552 58.358 55.803 0.005 0.000 0.853 260 Q CB -0.739 28.069 28.738 0.117 0.000 0.907 260 Q HN 0.573 nan 8.270 nan 0.000 0.418 261 A N -0.679 122.128 122.820 -0.022 0.000 1.940 261 A HA -0.223 4.098 4.320 0.001 0.000 0.219 261 A C 1.795 179.279 177.584 -0.168 0.000 1.176 261 A CA 1.915 53.905 52.037 -0.078 0.000 0.631 261 A CB -0.891 18.029 19.000 -0.132 0.000 0.814 261 A HN 0.670 nan 8.150 nan 0.000 0.446 262 H N -2.332 116.650 119.070 -0.147 0.000 2.482 262 H HA 0.100 4.657 4.556 0.001 0.000 0.286 262 H C 1.617 176.882 175.328 -0.105 0.000 1.017 262 H CA 1.191 57.154 56.048 -0.142 0.000 1.322 262 H CB -0.145 29.498 29.762 -0.197 0.000 1.426 262 H HN 0.473 nan 8.280 nan 0.000 0.546 263 F N 0.793 120.660 119.950 -0.137 0.000 2.095 263 F HA -0.183 4.344 4.527 0.001 0.000 0.298 263 F C 2.304 177.854 175.800 -0.416 0.000 1.104 263 F CA 1.597 59.318 58.000 -0.465 0.000 1.232 263 F CB -0.878 37.618 39.000 -0.840 0.000 0.987 263 F HN 0.204 nan 8.300 nan 0.000 0.475 264 D N -0.277 120.162 120.400 0.065 0.000 2.123 264 D HA -0.161 4.480 4.640 0.001 0.000 0.196 264 D C 2.172 178.522 176.300 0.084 0.000 0.992 264 D CA 1.432 55.545 54.000 0.188 0.000 0.833 264 D CB -0.176 40.745 40.800 0.202 0.000 0.954 264 D HN 0.145 nan 8.370 nan 0.000 0.455 265 A N -0.745 122.082 122.820 0.012 0.000 1.969 265 A HA -0.065 4.255 4.320 0.001 0.000 0.218 265 A C 2.211 179.804 177.584 0.014 0.000 1.169 265 A CA 2.112 54.143 52.037 -0.011 0.000 0.635 265 A CB -0.684 18.265 19.000 -0.086 0.000 0.810 265 A HN 0.439 nan 8.150 nan 0.000 0.445 266 T N -3.449 111.120 114.554 0.024 0.000 3.054 266 T HA 0.586 4.937 4.350 0.001 0.000 0.255 266 T C 0.721 175.431 174.700 0.017 0.000 1.035 266 T CA 0.414 62.531 62.100 0.028 0.000 0.941 266 T CB -0.239 68.657 68.868 0.047 0.000 1.026 266 T HN 0.549 nan 8.240 nan 0.000 0.533 267 A N 1.439 124.270 122.820 0.018 0.000 2.445 267 A HA 0.589 4.909 4.320 0.001 0.000 0.242 267 A C 0.115 177.721 177.584 0.036 0.000 1.075 267 A CA -0.402 51.662 52.037 0.045 0.000 0.777 267 A CB 0.270 19.378 19.000 0.179 0.000 1.013 267 A HN 0.360 nan 8.150 nan 0.000 0.493 268 V N 2.318 122.238 119.914 0.009 0.000 2.427 268 V HA 0.388 4.508 4.120 0.001 0.000 0.286 268 V C 0.398 176.338 176.094 -0.257 0.000 1.034 268 V CA -0.305 61.918 62.300 -0.128 0.000 0.893 268 V CB 1.452 33.181 31.823 -0.157 0.000 0.982 268 V HN 0.928 nan 8.190 nan 0.000 0.452 269 T N 4.936 119.331 114.554 -0.267 0.000 2.795 269 T HA 0.483 4.833 4.350 0.001 0.000 0.282 269 T C -0.483 174.016 174.700 -0.335 0.000 0.980 269 T CA -0.323 61.658 62.100 -0.198 0.000 1.012 269 T CB 0.167 69.004 68.868 -0.052 0.000 0.936 269 T HN 0.673 nan 8.240 nan 0.000 0.457 270 H N 2.409 121.495 119.070 0.028 0.000 2.589 270 H HA 0.368 4.924 4.556 0.001 0.000 0.335 270 H C -0.122 175.202 175.328 -0.006 0.000 1.019 270 H CA -0.724 55.330 56.048 0.011 0.000 1.213 270 H CB 1.712 31.479 29.762 0.009 0.000 1.472 270 H HN 0.417 nan 8.280 nan 0.000 0.508 271 R N 4.534 125.084 120.500 0.083 0.000 2.204 271 R HA 0.291 4.631 4.340 0.001 0.000 0.341 271 R C -0.676 175.641 176.300 0.029 0.000 1.035 271 R CA -0.544 55.574 56.100 0.030 0.000 0.887 271 R CB 0.140 30.441 30.300 0.001 0.000 1.114 271 R HN 0.501 nan 8.270 nan 0.000 0.473 272 L N 5.660 126.891 121.223 0.013 0.000 2.397 272 L HA 0.285 4.625 4.340 0.001 0.000 0.271 272 L C -0.042 176.817 176.870 -0.017 0.000 1.148 272 L CA -0.330 54.508 54.840 -0.004 0.000 0.825 272 L CB 0.779 42.824 42.059 -0.023 0.000 1.117 272 L HN 0.499 nan 8.230 nan 0.000 0.456 273 L N 3.007 124.219 121.223 -0.018 0.000 2.313 273 L HA 0.532 4.872 4.340 0.001 0.000 0.268 273 L C -2.295 174.554 176.870 -0.036 0.000 1.010 273 L CA -2.289 52.538 54.840 -0.022 0.000 0.814 273 L CB 1.380 43.429 42.059 -0.015 0.000 1.304 273 L HN 0.304 nan 8.230 nan 0.000 0.441 274 P HA 0.028 nan 4.420 nan 0.000 0.262 274 P C 0.655 177.919 177.300 -0.059 0.000 1.182 274 P CA 0.961 64.025 63.100 -0.059 0.000 0.761 274 P CB 0.533 32.202 31.700 -0.051 0.000 0.795 275 G N 1.674 110.428 108.800 -0.077 0.000 2.176 275 G HA2 -0.224 3.737 3.960 0.001 0.000 0.253 275 G HA3 -0.224 3.737 3.960 0.001 0.000 0.253 275 G C -0.077 174.789 174.900 -0.057 0.000 0.979 275 G CA -0.316 44.742 45.100 -0.071 0.000 0.641 275 G HN 0.560 nan 8.290 nan 0.000 0.530 276 E N -0.327 119.840 120.200 -0.055 0.000 2.249 276 E HA 0.599 4.950 4.350 0.001 0.000 0.280 276 E C -0.703 175.861 176.600 -0.061 0.000 1.016 276 E CA -0.782 55.589 56.400 -0.049 0.000 0.830 276 E CB 2.098 31.774 29.700 -0.040 0.000 1.081 276 E HN 0.210 nan 8.360 nan 0.000 0.395 277 L N 2.326 123.512 121.223 -0.061 0.000 2.342 277 L HA 0.493 4.834 4.340 0.001 0.000 0.276 277 L C -1.137 175.666 176.870 -0.112 0.000 0.997 277 L CA -0.423 54.373 54.840 -0.073 0.000 0.838 277 L CB 1.303 43.338 42.059 -0.040 0.000 1.224 277 L HN 0.580 nan 8.230 nan 0.000 0.416 278 A N 6.458 129.196 122.820 -0.137 0.000 2.290 278 A HA 0.769 5.089 4.320 0.001 0.000 0.310 278 A C -0.555 176.932 177.584 -0.163 0.000 1.202 278 A CA -0.365 51.555 52.037 -0.194 0.000 0.837 278 A CB 0.201 19.048 19.000 -0.254 0.000 1.139 278 A HN 0.695 nan 8.150 nan 0.000 0.509 279 I N 3.222 123.673 120.570 -0.198 0.000 2.410 279 I HA 0.328 4.498 4.170 0.001 0.000 0.286 279 I C -0.798 175.325 176.117 0.010 0.000 1.009 279 I CA -0.751 60.472 61.300 -0.128 0.000 1.111 279 I CB 1.900 39.731 38.000 -0.283 0.000 1.262 279 I HN 0.283 nan 8.210 nan 0.000 0.443 280 V N 4.428 124.432 119.914 0.149 0.000 2.435 280 V HA 0.211 4.331 4.120 0.001 0.000 0.290 280 V C -0.056 176.281 176.094 0.405 0.000 1.030 280 V CA -0.595 61.834 62.300 0.215 0.000 0.881 280 V CB 1.848 33.706 31.823 0.058 0.000 0.983 280 V HN 0.633 nan 8.190 nan 0.000 0.445 281 D N 3.737 124.395 120.400 0.430 0.000 2.359 281 D HA 0.036 4.676 4.640 0.001 0.000 0.250 281 D C 0.910 177.225 176.300 0.024 0.000 1.264 281 D CA 0.119 54.261 54.000 0.237 0.000 0.911 281 D CB 0.564 41.442 40.800 0.129 0.000 1.056 281 D HN 0.538 nan 8.370 nan 0.000 0.499 282 N N 2.949 121.615 118.700 -0.057 0.000 2.550 282 N HA -0.059 4.682 4.740 0.001 0.000 0.186 282 N C 1.212 176.660 175.510 -0.103 0.000 1.110 282 N CA 0.523 53.544 53.050 -0.048 0.000 0.912 282 N CB 0.212 38.678 38.487 -0.035 0.000 0.968 282 N HN 0.235 nan 8.380 nan 0.000 0.448 283 R N -0.973 119.433 120.500 -0.158 0.000 2.119 283 R HA 0.069 4.409 4.340 0.001 0.000 0.222 283 R C 1.615 177.855 176.300 -0.099 0.000 1.088 283 R CA 1.140 57.158 56.100 -0.138 0.000 0.984 283 R CB 0.071 30.272 30.300 -0.165 0.000 0.884 283 R HN 0.273 nan 8.270 nan 0.000 0.447 284 V N -5.269 114.595 119.914 -0.083 0.000 3.502 284 V HA 0.379 4.500 4.120 0.001 0.000 0.288 284 V C 0.068 176.132 176.094 -0.050 0.000 1.461 284 V CA -0.187 62.076 62.300 -0.061 0.000 1.029 284 V CB 0.997 32.787 31.823 -0.054 0.000 0.843 284 V HN -0.073 nan 8.190 nan 0.000 0.438 285 T N 2.479 117.005 114.554 -0.047 0.000 2.881 285 T HA 0.677 5.027 4.350 0.001 0.000 0.290 285 T C -0.466 174.184 174.700 -0.084 0.000 1.000 285 T CA -0.170 61.900 62.100 -0.052 0.000 0.978 285 T CB 2.240 71.120 68.868 0.020 0.000 0.997 285 T HN 0.575 nan 8.240 nan 0.000 0.443 286 V N 1.433 121.207 119.914 -0.233 0.000 2.837 286 V HA 0.800 4.920 4.120 0.001 0.000 0.310 286 V C -0.322 175.719 176.094 -0.087 0.000 1.059 286 V CA -0.737 61.384 62.300 -0.299 0.000 1.004 286 V CB 1.417 32.826 31.823 -0.690 0.000 1.045 286 V HN 1.047 nan 8.190 nan 0.000 0.465 287 H N 0.955 119.914 119.070 -0.186 0.000 2.928 287 H HA 0.914 5.470 4.556 0.001 0.000 0.371 287 H C -0.358 174.858 175.328 -0.188 0.000 1.186 287 H CA -0.346 55.662 56.048 -0.067 0.000 1.134 287 H CB 1.923 31.630 29.762 -0.093 0.000 1.824 287 H HN 1.104 nan 8.280 nan 0.000 0.554 288 G N 0.124 108.877 108.800 -0.078 0.000 2.782 288 G HA2 0.505 4.465 3.960 0.001 0.000 0.304 288 G HA3 0.505 4.465 3.960 0.001 0.000 0.304 288 G C -1.473 173.393 174.900 -0.057 0.000 1.315 288 G CA -1.046 43.899 45.100 -0.258 0.000 0.791 288 G HN 0.684 nan 8.290 nan 0.000 0.519 289 R N -0.185 120.273 120.500 -0.071 0.000 2.594 289 R HA 0.484 4.825 4.340 0.001 0.000 0.265 289 R C -0.111 176.206 176.300 0.028 0.000 1.070 289 R CA -0.230 55.888 56.100 0.031 0.000 0.909 289 R CB 1.630 32.002 30.300 0.121 0.000 1.243 289 R HN 0.943 nan 8.270 nan 0.000 0.455 290 T N -0.615 113.970 114.554 0.051 0.000 2.813 290 T HA 0.122 4.472 4.350 0.001 0.000 0.297 290 T C 0.392 175.198 174.700 0.178 0.000 1.036 290 T CA -0.582 61.563 62.100 0.075 0.000 1.044 290 T CB 1.039 69.944 68.868 0.062 0.000 0.993 290 T HN 0.584 nan 8.240 nan 0.000 0.535 291 E N 0.805 121.092 120.200 0.145 0.000 2.373 291 E HA 0.440 4.791 4.350 0.001 0.000 0.267 291 E C -0.784 175.981 176.600 0.275 0.000 1.032 291 E CA -0.792 55.703 56.400 0.158 0.000 0.889 291 E CB 0.295 30.035 29.700 0.067 0.000 0.984 291 E HN 0.623 nan 8.360 nan 0.000 0.425 292 F N -0.309 119.639 119.950 -0.004 0.000 2.685 292 F HA 0.498 5.025 4.527 0.001 0.000 0.315 292 F C -1.111 174.666 175.800 -0.037 0.000 1.126 292 F CA -1.099 56.890 58.000 -0.018 0.000 0.950 292 F CB 1.566 40.554 39.000 -0.019 0.000 1.360 292 F HN 0.070 nan 8.300 nan 0.000 0.469 293 T N 2.550 117.088 114.554 -0.026 0.000 2.874 293 T HA 0.419 4.769 4.350 0.001 0.000 0.321 293 T C -2.688 171.900 174.700 -0.187 0.000 1.075 293 T CA -1.178 60.824 62.100 -0.163 0.000 0.966 293 T CB 0.647 69.478 68.868 -0.062 0.000 1.001 293 T HN 0.289 nan 8.240 nan 0.000 0.476 294 P HA 0.272 nan 4.420 nan 0.000 0.269 294 P C 0.719 177.705 177.300 -0.522 0.000 1.209 294 P CA -0.441 62.345 63.100 -0.524 0.000 0.776 294 P CB 1.006 32.041 31.700 -1.108 0.000 0.876 295 R N 1.233 121.546 120.500 -0.311 0.000 2.127 295 R HA -0.004 4.337 4.340 0.001 0.000 0.217 295 R C 0.065 176.315 176.300 -0.084 0.000 1.074 295 R CA 0.445 56.452 56.100 -0.156 0.000 0.991 295 R CB -0.418 29.854 30.300 -0.046 0.000 0.895 295 R HN 0.466 nan 8.270 nan 0.000 0.450 296 Y N 0.960 121.262 120.300 0.002 0.000 3.589 296 Y HA -0.209 4.341 4.550 0.000 0.000 0.218 296 Y C 0.048 175.937 175.900 -0.018 0.000 1.234 296 Y CA 0.681 58.770 58.100 -0.019 0.000 1.576 296 Y CB -2.417 36.023 38.460 -0.033 0.000 1.487 296 Y HN 0.394 nan 8.280 nan 0.000 0.616 297 D N -1.895 118.565 120.400 0.099 0.000 2.513 297 D HA 0.425 5.066 4.640 0.001 0.000 0.222 297 D C 1.626 177.951 176.300 0.042 0.000 1.210 297 D CA 0.385 54.422 54.000 0.061 0.000 0.825 297 D CB 0.201 41.027 40.800 0.044 0.000 1.037 297 D HN 0.536 nan 8.370 nan 0.000 0.506 298 G N 0.616 109.439 108.800 0.040 0.000 2.176 298 G HA2 -0.324 3.636 3.960 0.001 0.000 0.253 298 G HA3 -0.324 3.636 3.960 0.001 0.000 0.253 298 G C 0.984 175.909 174.900 0.041 0.000 0.979 298 G CA 0.807 45.919 45.100 0.019 0.000 0.641 298 G HN 0.712 nan 8.290 nan 0.000 0.530 299 T N -2.202 112.380 114.554 0.047 0.000 3.054 299 T HA 0.358 4.708 4.350 0.001 0.000 0.255 299 T C 0.451 175.191 174.700 0.067 0.000 1.035 299 T CA 0.478 62.614 62.100 0.060 0.000 0.941 299 T CB 0.678 69.573 68.868 0.045 0.000 1.026 299 T HN 0.247 nan 8.240 nan 0.000 0.533 300 D N 2.119 122.556 120.400 0.061 0.000 2.371 300 D HA 0.132 4.772 4.640 0.001 0.000 0.242 300 D C 0.463 176.827 176.300 0.108 0.000 1.218 300 D CA -0.389 53.657 54.000 0.077 0.000 0.945 300 D CB 0.689 41.536 40.800 0.079 0.000 1.137 300 D HN 0.264 nan 8.370 nan 0.000 0.464 301 R N 0.407 120.958 120.500 0.084 0.000 2.500 301 R HA -0.124 4.217 4.340 0.001 0.000 0.281 301 R C -0.958 175.463 176.300 0.201 0.000 0.953 301 R CA 0.480 56.621 56.100 0.068 0.000 1.108 301 R CB 0.261 30.504 30.300 -0.097 0.000 0.901 301 R HN 0.375 nan 8.270 nan 0.000 0.410 302 W N 7.782 129.073 121.300 -0.015 0.000 2.728 302 W HA 0.325 4.986 4.660 0.001 0.000 0.324 302 W C -1.953 174.554 176.519 -0.020 0.000 1.012 302 W CA -1.040 56.303 57.345 -0.004 0.000 1.279 302 W CB 0.450 29.909 29.460 -0.002 0.000 1.289 302 W HN 0.440 nan 8.180 nan 0.000 0.418 303 L N 4.760 126.180 121.223 0.328 0.000 2.334 303 L HA 0.569 4.910 4.340 0.001 0.000 0.272 303 L C 0.286 177.240 176.870 0.140 0.000 1.020 303 L CA -1.085 53.824 54.840 0.115 0.000 0.812 303 L CB 1.896 43.997 42.059 0.069 0.000 1.264 303 L HN 0.224 nan 8.230 nan 0.000 0.439 304 Q N 1.644 121.433 119.800 -0.017 0.000 2.342 304 Q HA 0.552 4.892 4.340 0.001 0.000 0.267 304 Q C -1.103 174.865 176.000 -0.053 0.000 1.038 304 Q CA -0.774 55.019 55.803 -0.015 0.000 0.832 304 Q CB 3.352 32.039 28.738 -0.086 0.000 1.323 304 Q HN 0.412 nan 8.270 nan 0.000 0.448 305 R N 1.025 121.479 120.500 -0.077 0.000 2.561 305 R HA 0.576 4.916 4.340 0.001 0.000 0.297 305 R C -1.429 174.717 176.300 -0.256 0.000 0.969 305 R CA -0.140 55.876 56.100 -0.140 0.000 0.879 305 R CB 1.764 31.984 30.300 -0.134 0.000 1.178 305 R HN 0.561 nan 8.270 nan 0.000 0.445 306 T N 4.312 118.723 114.554 -0.238 0.000 2.921 306 T HA 0.443 4.794 4.350 0.001 0.000 0.297 306 T C -1.151 173.472 174.700 -0.129 0.000 1.013 306 T CA -0.435 61.508 62.100 -0.261 0.000 0.990 306 T CB 0.623 69.409 68.868 -0.136 0.000 1.023 306 T HN 0.245 nan 8.240 nan 0.000 0.447 307 F N 1.740 121.731 119.950 0.068 0.000 2.375 307 F HA 0.603 5.130 4.527 0.001 0.000 0.333 307 F C 0.331 176.175 175.800 0.074 0.000 1.104 307 F CA -1.267 56.796 58.000 0.105 0.000 1.149 307 F CB 0.730 39.829 39.000 0.164 0.000 1.190 307 F HN 0.130 nan 8.300 nan 0.000 0.533 308 V N 4.289 124.400 119.914 0.329 0.000 2.540 308 V HA 0.418 4.539 4.120 0.001 0.000 0.302 308 V C -0.299 175.913 176.094 0.196 0.000 1.035 308 V CA -0.846 61.593 62.300 0.232 0.000 0.873 308 V CB 1.841 33.838 31.823 0.290 0.000 0.992 308 V HN 0.502 nan 8.190 nan 0.000 0.428 309 L N 4.155 125.456 121.223 0.128 0.000 2.272 309 L HA 0.358 4.699 4.340 0.001 0.000 0.289 309 L C 1.580 178.499 176.870 0.081 0.000 1.032 309 L CA -0.340 54.547 54.840 0.078 0.000 0.810 309 L CB 1.894 43.976 42.059 0.038 0.000 1.205 309 L HN 0.890 nan 8.230 nan 0.000 0.422 310 T N -2.337 112.259 114.554 0.069 0.000 2.915 310 T HA -0.090 4.260 4.350 0.001 0.000 0.269 310 T C 0.517 175.247 174.700 0.050 0.000 1.071 310 T CA 0.656 62.807 62.100 0.086 0.000 1.132 310 T CB -0.020 68.888 68.868 0.066 0.000 0.878 310 T HN 0.459 nan 8.240 nan 0.000 0.479 311 D N 0.057 120.475 120.400 0.030 0.000 2.405 311 D HA 0.264 4.904 4.640 0.001 0.000 0.264 311 D C 0.635 176.930 176.300 -0.008 0.000 1.240 311 D CA -0.655 53.354 54.000 0.015 0.000 0.893 311 D CB 0.781 41.591 40.800 0.016 0.000 1.198 311 D HN 0.016 nan 8.370 nan 0.000 0.514 312 L N 3.188 124.404 121.223 -0.011 0.000 2.129 312 L HA -0.082 4.259 4.340 0.001 0.000 0.212 312 L C 2.138 178.956 176.870 -0.086 0.000 1.087 312 L CA 1.690 56.502 54.840 -0.046 0.000 0.757 312 L CB -0.269 41.774 42.059 -0.027 0.000 0.896 312 L HN 0.249 nan 8.230 nan 0.000 0.434 313 R N 0.058 120.523 120.500 -0.059 0.000 2.139 313 R HA -0.161 4.180 4.340 0.001 0.000 0.243 313 R C 2.291 178.543 176.300 -0.080 0.000 1.145 313 R CA 1.582 57.645 56.100 -0.063 0.000 0.976 313 R CB -0.376 29.904 30.300 -0.033 0.000 0.866 313 R HN 0.393 nan 8.270 nan 0.000 0.449 314 R N -0.471 119.982 120.500 -0.079 0.000 2.159 314 R HA -0.053 4.288 4.340 0.001 0.000 0.237 314 R C 1.453 177.603 176.300 -0.249 0.000 1.131 314 R CA 1.550 57.607 56.100 -0.071 0.000 0.982 314 R CB -0.151 30.164 30.300 0.024 0.000 0.868 314 R HN 0.357 nan 8.270 nan 0.000 0.453 315 S N -0.190 115.260 115.700 -0.417 0.000 2.582 315 S HA 0.140 4.611 4.470 0.001 0.000 0.234 315 S C 1.363 175.817 174.600 -0.244 0.000 0.961 315 S CA -0.503 57.330 58.200 -0.612 0.000 0.953 315 S CB 0.586 63.374 63.200 -0.686 0.000 0.800 315 S HN 0.057 nan 8.310 nan 0.000 0.471 316 R N 2.730 123.138 120.500 -0.153 0.000 2.117 316 R HA 0.032 4.372 4.340 0.001 0.000 0.243 316 R C 2.079 178.345 176.300 -0.056 0.000 1.143 316 R CA 1.888 57.930 56.100 -0.096 0.000 0.968 316 R CB -1.274 28.983 30.300 -0.070 0.000 0.863 316 R HN 0.510 nan 8.270 nan 0.000 0.444 317 A N -0.280 122.524 122.820 -0.028 0.000 2.125 317 A HA -0.090 4.230 4.320 0.001 0.000 0.219 317 A C 1.850 179.450 177.584 0.027 0.000 1.156 317 A CA 1.609 53.652 52.037 0.010 0.000 0.671 317 A CB -0.371 18.651 19.000 0.038 0.000 0.794 317 A HN 0.429 nan 8.150 nan 0.000 0.459 318 M N -1.293 118.321 119.600 0.023 0.000 2.371 318 M HA 0.161 4.642 4.480 0.001 0.000 0.246 318 M C -0.027 176.286 176.300 0.021 0.000 1.103 318 M CA 0.226 55.563 55.300 0.061 0.000 1.010 318 M CB 0.467 33.151 32.600 0.140 0.000 1.457 318 M HN 0.118 nan 8.290 nan 0.000 0.486 319 R N 1.233 121.718 120.500 -0.026 0.000 2.477 319 R HA 0.337 4.678 4.340 0.001 0.000 0.285 319 R C -2.651 173.619 176.300 -0.050 0.000 1.415 319 R CA -1.666 54.400 56.100 -0.055 0.000 1.446 319 R CB 0.508 30.740 30.300 -0.114 0.000 1.110 319 R HN -0.084 nan 8.270 nan 0.000 0.590 320 P HA -0.130 nan 4.420 nan 0.000 0.263 320 P C 0.211 177.490 177.300 -0.034 0.000 1.175 320 P CA 0.709 63.798 63.100 -0.018 0.000 0.761 320 P CB 0.746 32.446 31.700 -0.000 0.000 0.794 321 A N 3.798 126.599 122.820 -0.032 0.000 2.826 321 A HA -0.252 4.069 4.320 0.001 0.000 0.274 321 A C 1.013 178.555 177.584 -0.070 0.000 1.443 321 A CA 1.201 53.216 52.037 -0.038 0.000 0.833 321 A CB -2.595 16.391 19.000 -0.022 0.000 1.023 321 A HN 0.654 nan 8.150 nan 0.000 0.600 322 D N -3.253 117.091 120.400 -0.093 0.000 2.772 322 D HA -0.085 4.555 4.640 0.001 0.000 0.233 322 D C 0.672 176.820 176.300 -0.253 0.000 1.143 322 D CA 2.369 56.279 54.000 -0.150 0.000 0.700 322 D CB -1.264 39.462 40.800 -0.123 0.000 1.076 322 D HN 1.679 nan 8.370 nan 0.000 0.430 323 G N -1.130 107.537 108.800 -0.221 0.000 2.510 323 G HA2 0.383 4.344 3.960 0.001 0.000 0.280 323 G HA3 0.383 4.344 3.960 0.001 0.000 0.280 323 G C 0.325 174.975 174.900 -0.418 0.000 1.386 323 G CA -0.440 44.493 45.100 -0.277 0.000 1.047 323 G HN 0.246 nan 8.290 nan 0.000 0.527 324 Y N -1.403 118.874 120.300 -0.039 0.000 2.507 324 Y HA 0.359 4.909 4.550 0.001 0.000 0.254 324 Y C 0.499 176.342 175.900 -0.096 0.000 1.171 324 Y CA -0.286 57.776 58.100 -0.062 0.000 1.238 324 Y CB 0.755 39.190 38.460 -0.042 0.000 1.148 324 Y HN 0.009 nan 8.280 nan 0.000 0.525 325 V N 2.206 122.129 119.914 0.015 0.000 2.357 325 V HA 0.280 4.400 4.120 0.001 0.000 0.284 325 V C -0.498 175.567 176.094 -0.049 0.000 1.018 325 V CA -0.913 61.372 62.300 -0.025 0.000 0.841 325 V CB 1.254 33.086 31.823 0.014 0.000 0.991 325 V HN -0.010 nan 8.190 nan 0.000 0.437 326 L N 4.943 126.098 121.223 -0.113 0.000 2.292 326 L HA 0.803 5.143 4.340 0.001 0.000 0.284 326 L C 0.846 177.808 176.870 0.153 0.000 1.065 326 L CA 0.916 55.742 54.840 -0.022 0.000 0.806 326 L CB 1.175 43.156 42.059 -0.130 0.000 1.175 326 L HN 0.767 nan 8.230 nan 0.000 0.431 327 G N 1.038 109.949 108.800 0.184 0.000 3.247 327 G HA2 0.736 4.697 3.960 0.001 0.000 0.226 327 G HA3 0.736 4.697 3.960 0.001 0.000 0.226 327 G C -1.072 173.969 174.900 0.235 0.000 1.220 327 G CA -0.223 45.015 45.100 0.229 0.000 0.875 327 G HN 0.768 nan 8.290 nan 0.000 0.606 328 A N -0.881 122.046 122.820 0.178 0.000 2.445 328 A HA 0.692 5.013 4.320 0.001 0.000 0.242 328 A C 1.236 178.889 177.584 0.116 0.000 1.075 328 A CA 1.076 53.202 52.037 0.148 0.000 0.777 328 A CB -0.587 18.481 19.000 0.114 0.000 1.013 328 A HN 2.684 nan 8.150 nan 0.000 0.493 329 A N 0.000 122.879 122.820 0.098 0.000 2.254 329 A HA 0.000 4.320 4.320 0.001 0.000 0.244 329 A CA 0.000 52.082 52.037 0.074 0.000 0.836 329 A CB 0.000 19.034 19.000 0.056 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486