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 3iqj_1_A DATA FIRST_RESID -4 DATA SEQUENCE GAMGSMERAS LIQKAKLAEQ AERYEDMAAF MKGAVEKGXX XXXXXXNLLS DATA SEQUENCE VAYKNVVGGQ RAAWRVLSSI EQKSNEEGSE EKGPEVREYR EKVETELQGV DATA SEQUENCE CDTVLGLLDS HLIKEAGDAE SRVFYLKMKG DYYRYLAEVA TGDDKKRIID DATA SEQUENCE SARSAYQEAM DISKKEMPPT NPIRLGLALN FSVFHYEIAN SPEEAISLAK DATA SEQUENCE TTFDEAMADL HTLSEDSYKD STLIMQLLRD NLTLWTXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXE ELSXEER 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 -4 G HA2 0.000 nan 3.960 nan 0.000 0.244 -4 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 -4 G C 0.000 174.912 174.900 0.020 0.000 0.946 -4 G CA 0.000 45.110 45.100 0.016 0.000 0.502 -3 A N -0.304 122.527 122.820 0.019 0.000 2.070 -3 A HA 0.135 4.458 4.320 0.005 0.000 0.220 -3 A C 2.004 179.612 177.584 0.040 0.000 1.159 -3 A CA 2.133 54.184 52.037 0.023 0.000 0.656 -3 A CB -0.451 18.557 19.000 0.013 0.000 0.800 -3 A HN 0.382 nan 8.150 nan 0.000 0.453 -2 M N -0.511 119.120 119.600 0.050 0.000 2.495 -2 M HA 0.101 4.584 4.480 0.005 0.000 0.237 -2 M C 1.905 178.239 176.300 0.056 0.000 1.131 -2 M CA 0.589 55.934 55.300 0.074 0.000 1.032 -2 M CB -1.244 31.420 32.600 0.106 0.000 1.513 -2 M HN 0.411 nan 8.290 nan 0.000 0.488 -1 G N 0.195 109.019 108.800 0.040 0.000 2.448 -1 G HA2 -0.141 3.822 3.960 0.005 0.000 0.219 -1 G HA3 -0.141 3.822 3.960 0.005 0.000 0.219 -1 G C 1.564 176.480 174.900 0.028 0.000 1.127 -1 G CA 0.739 45.858 45.100 0.031 0.000 0.766 -1 G HN 0.469 nan 8.290 nan 0.000 0.552 0 S N -0.377 115.340 115.700 0.029 0.000 2.562 0 S HA 0.269 4.742 4.470 0.005 0.000 0.221 0 S C 0.863 175.477 174.600 0.023 0.000 0.975 0 S CA -0.132 58.082 58.200 0.023 0.000 0.918 0 S CB 0.010 63.223 63.200 0.022 0.000 0.772 0 S HN 0.385 nan 8.310 nan 0.000 0.531 1 M N 2.162 121.780 119.600 0.030 0.000 2.264 1 M HA 0.200 4.683 4.480 0.005 0.000 0.352 1 M C -0.426 175.882 176.300 0.013 0.000 1.173 1 M CA -0.518 54.795 55.300 0.022 0.000 1.075 1 M CB 0.803 33.425 32.600 0.037 0.000 1.621 1 M HN -0.038 nan 8.290 nan 0.000 0.457 2 E N 2.932 123.131 120.200 -0.002 0.000 2.442 2 E HA -0.083 4.270 4.350 0.005 0.000 0.262 2 E C 0.572 177.167 176.600 -0.007 0.000 1.004 2 E CA 0.274 56.670 56.400 -0.006 0.000 0.928 2 E CB 0.581 30.272 29.700 -0.015 0.000 0.937 2 E HN 0.691 nan 8.360 nan 0.000 0.446 3 R N 2.515 123.015 120.500 0.000 0.000 2.096 3 R HA -0.252 4.091 4.340 0.005 0.000 0.240 3 R C 1.900 178.193 176.300 -0.012 0.000 1.139 3 R CA 2.018 58.119 56.100 0.003 0.000 0.952 3 R CB -0.199 30.106 30.300 0.008 0.000 0.854 3 R HN 0.578 nan 8.270 nan 0.000 0.436 4 A N -0.244 122.565 122.820 -0.019 0.000 1.930 4 A HA -0.101 4.222 4.320 0.005 0.000 0.217 4 A C 2.177 179.728 177.584 -0.055 0.000 1.175 4 A CA 1.771 53.791 52.037 -0.030 0.000 0.627 4 A CB -0.348 18.637 19.000 -0.025 0.000 0.815 4 A HN 0.428 nan 8.150 nan 0.000 0.443 5 S N -0.094 115.568 115.700 -0.064 0.000 2.383 5 S HA -0.061 4.412 4.470 0.005 0.000 0.227 5 S C 1.796 176.290 174.600 -0.176 0.000 1.026 5 S CA 1.297 59.433 58.200 -0.106 0.000 0.981 5 S CB -0.423 62.726 63.200 -0.086 0.000 0.818 5 S HN 0.514 nan 8.310 nan 0.000 0.472 6 L N 1.196 122.342 121.223 -0.129 0.000 2.046 6 L HA -0.124 4.219 4.340 0.005 0.000 0.208 6 L C 2.193 178.978 176.870 -0.141 0.000 1.077 6 L CA 0.861 55.614 54.840 -0.145 0.000 0.747 6 L CB -0.601 41.467 42.059 0.014 0.000 0.896 6 L HN 0.290 nan 8.230 nan 0.000 0.432 7 I N -0.291 120.237 120.570 -0.071 0.000 2.179 7 I HA -0.295 3.878 4.170 0.005 0.000 0.242 7 I C 2.569 178.639 176.117 -0.079 0.000 1.088 7 I CA 1.584 62.859 61.300 -0.043 0.000 1.357 7 I CB -1.190 36.799 38.000 -0.019 0.000 1.051 7 I HN 0.405 nan 8.210 nan 0.000 0.409 8 Q N 0.685 120.419 119.800 -0.110 0.000 2.061 8 Q HA -0.217 4.126 4.340 0.005 0.000 0.204 8 Q C 2.241 178.138 176.000 -0.173 0.000 0.984 8 Q CA 1.689 57.422 55.803 -0.116 0.000 0.846 8 Q CB -0.106 28.566 28.738 -0.109 0.000 0.902 8 Q HN 0.487 nan 8.270 nan 0.000 0.421 9 K N -0.007 120.195 120.400 -0.330 0.000 2.155 9 K HA -0.041 4.282 4.320 0.005 0.000 0.203 9 K C 2.056 178.465 176.600 -0.318 0.000 1.052 9 K CA 0.830 56.801 56.287 -0.526 0.000 0.948 9 K CB -0.068 31.707 32.500 -1.208 0.000 0.728 9 K HN 0.137 nan 8.250 nan 0.000 0.448 10 A N 2.089 124.816 122.820 -0.155 0.000 1.902 10 A HA -0.216 4.107 4.320 0.005 0.000 0.217 10 A C 1.862 179.482 177.584 0.061 0.000 1.181 10 A CA 1.561 53.667 52.037 0.116 0.000 0.623 10 A CB -0.269 18.804 19.000 0.122 0.000 0.818 10 A HN 0.193 nan 8.150 nan 0.000 0.443 11 K N -0.387 120.015 120.400 0.002 0.000 2.057 11 K HA -0.009 4.314 4.320 0.005 0.000 0.206 11 K C 1.845 178.441 176.600 -0.007 0.000 1.050 11 K CA 1.281 57.571 56.287 0.004 0.000 0.935 11 K CB -0.379 32.116 32.500 -0.009 0.000 0.715 11 K HN 0.464 nan 8.250 nan 0.000 0.439 12 L N 0.592 121.798 121.223 -0.029 0.000 2.017 12 L HA -0.199 4.144 4.340 0.005 0.000 0.208 12 L C 2.624 179.485 176.870 -0.014 0.000 1.073 12 L CA 1.239 56.063 54.840 -0.027 0.000 0.745 12 L CB -0.637 41.395 42.059 -0.044 0.000 0.894 12 L HN 0.213 nan 8.230 nan 0.000 0.432 13 A N -0.335 122.501 122.820 0.027 0.000 1.933 13 A HA -0.267 4.056 4.320 0.005 0.000 0.218 13 A C 2.258 179.762 177.584 -0.132 0.000 1.175 13 A CA 1.877 53.918 52.037 0.006 0.000 0.628 13 A CB -0.536 18.549 19.000 0.141 0.000 0.814 13 A HN 0.487 nan 8.150 nan 0.000 0.444 14 E N -0.288 119.866 120.200 -0.077 0.000 2.058 14 E HA -0.282 4.071 4.350 0.005 0.000 0.194 14 E C 2.191 178.723 176.600 -0.115 0.000 0.997 14 E CA 1.615 57.959 56.400 -0.095 0.000 0.801 14 E CB -0.186 29.547 29.700 0.056 0.000 0.746 14 E HN 0.769 nan 8.360 nan 0.000 0.450 15 Q N -0.461 119.305 119.800 -0.056 0.000 2.124 15 Q HA -0.129 4.214 4.340 0.005 0.000 0.202 15 Q C 1.970 177.930 176.000 -0.065 0.000 0.977 15 Q CA 1.321 57.101 55.803 -0.038 0.000 0.850 15 Q CB -0.088 28.638 28.738 -0.021 0.000 0.901 15 Q HN 0.303 nan 8.270 nan 0.000 0.429 16 A N 0.596 123.358 122.820 -0.097 0.000 2.238 16 A HA -0.056 4.266 4.320 0.005 0.000 0.208 16 A C 0.100 177.583 177.584 -0.167 0.000 1.177 16 A CA 0.244 52.221 52.037 -0.100 0.000 0.804 16 A CB -0.107 18.850 19.000 -0.071 0.000 0.823 16 A HN 0.413 nan 8.150 nan 0.000 0.482 17 E N -0.594 119.421 120.200 -0.309 0.000 2.360 17 E HA -0.182 4.170 4.350 0.005 0.000 0.238 17 E C -0.597 175.670 176.600 -0.555 0.000 1.186 17 E CA 0.225 56.299 56.400 -0.542 0.000 0.719 17 E CB -0.936 28.676 29.700 -0.146 0.000 1.236 17 E HN 0.482 nan 8.360 nan 0.000 0.386 18 R N 0.643 120.828 120.500 -0.526 0.000 3.256 18 R HA 0.136 4.479 4.340 0.005 0.000 0.263 18 R C 0.127 176.253 176.300 -0.290 0.000 1.388 18 R CA -0.175 55.751 56.100 -0.291 0.000 1.580 18 R CB 0.005 30.216 30.300 -0.147 0.000 1.255 18 R HN 0.250 nan 8.270 nan 0.000 0.640 19 Y N 0.340 120.622 120.300 -0.030 0.000 2.314 19 Y HA -0.110 4.442 4.550 0.003 0.000 0.293 19 Y C 2.373 178.204 175.900 -0.116 0.000 1.129 19 Y CA 0.875 58.942 58.100 -0.055 0.000 1.201 19 Y CB 0.130 38.568 38.460 -0.037 0.000 0.999 19 Y HN 0.435 nan 8.280 nan 0.000 0.541 20 E N 0.525 120.734 120.200 0.016 0.000 2.051 20 E HA -0.228 4.125 4.350 0.005 0.000 0.192 20 E C 1.286 177.780 176.600 -0.177 0.000 0.991 20 E CA 1.628 57.983 56.400 -0.075 0.000 0.799 20 E CB 0.004 29.675 29.700 -0.048 0.000 0.748 20 E HN 0.378 nan 8.360 nan 0.000 0.449 21 D N 0.409 120.686 120.400 -0.204 0.000 2.117 21 D HA -0.202 4.441 4.640 0.005 0.000 0.197 21 D C 1.955 178.009 176.300 -0.411 0.000 0.987 21 D CA 1.058 54.817 54.000 -0.403 0.000 0.829 21 D CB -0.348 40.271 40.800 -0.302 0.000 0.961 21 D HN 0.276 nan 8.370 nan 0.000 0.460 22 M N 0.580 120.114 119.600 -0.111 0.000 2.082 22 M HA -0.235 4.248 4.480 0.005 0.000 0.258 22 M C 2.032 178.309 176.300 -0.039 0.000 1.069 22 M CA 1.945 57.276 55.300 0.051 0.000 1.102 22 M CB 0.024 32.674 32.600 0.084 0.000 1.336 22 M HN 0.028 nan 8.290 nan 0.000 0.404 23 A N -0.053 122.638 122.820 -0.216 0.000 1.902 23 A HA -0.045 4.278 4.320 0.005 0.000 0.217 23 A C 2.267 179.691 177.584 -0.267 0.000 1.181 23 A CA 1.859 53.602 52.037 -0.489 0.000 0.623 23 A CB -1.105 17.319 19.000 -0.959 0.000 0.818 23 A HN 0.667 nan 8.150 nan 0.000 0.443 24 A N -0.945 121.729 122.820 -0.242 0.000 1.902 24 A HA -0.020 4.302 4.320 0.005 0.000 0.217 24 A C 2.036 179.575 177.584 -0.075 0.000 1.181 24 A CA 1.374 53.304 52.037 -0.179 0.000 0.623 24 A CB -0.801 18.018 19.000 -0.300 0.000 0.818 24 A HN 0.535 nan 8.150 nan 0.000 0.443 25 F N -0.898 119.042 119.950 -0.016 0.000 2.134 25 F HA -0.211 4.318 4.527 0.004 0.000 0.299 25 F C 2.637 178.448 175.800 0.019 0.000 1.097 25 F CA 0.911 58.911 58.000 -0.001 0.000 1.264 25 F CB -0.261 38.734 39.000 -0.009 0.000 1.001 25 F HN 0.115 nan 8.300 nan 0.000 0.479 26 M N 0.357 120.076 119.600 0.200 0.000 2.175 26 M HA -0.158 4.325 4.480 0.005 0.000 0.264 26 M C 2.093 178.492 176.300 0.165 0.000 1.063 26 M CA 1.401 56.800 55.300 0.165 0.000 1.119 26 M CB -1.114 31.582 32.600 0.160 0.000 1.377 26 M HN 0.100 nan 8.290 nan 0.000 0.415 27 K N 0.177 120.681 120.400 0.175 0.000 2.032 27 K HA -0.132 4.191 4.320 0.005 0.000 0.209 27 K C 2.006 178.665 176.600 0.099 0.000 1.048 27 K CA 1.748 58.126 56.287 0.152 0.000 0.927 27 K CB -0.429 32.171 32.500 0.167 0.000 0.712 27 K HN 0.349 nan 8.250 nan 0.000 0.441 28 G N 0.361 109.225 108.800 0.106 0.000 2.440 28 G HA2 -0.290 3.672 3.960 0.005 0.000 0.218 28 G HA3 -0.290 3.672 3.960 0.005 0.000 0.218 28 G C 1.576 176.525 174.900 0.081 0.000 1.154 28 G CA 1.029 46.185 45.100 0.094 0.000 0.767 28 G HN 0.470 nan 8.290 nan 0.000 0.552 29 A N 0.075 122.951 122.820 0.094 0.000 1.877 29 A HA 0.078 4.401 4.320 0.005 0.000 0.216 29 A C 2.618 180.238 177.584 0.059 0.000 1.186 29 A CA 1.836 53.915 52.037 0.070 0.000 0.620 29 A CB -0.688 18.356 19.000 0.074 0.000 0.822 29 A HN 0.267 nan 8.150 nan 0.000 0.443 30 V N 0.347 120.300 119.914 0.065 0.000 2.332 30 V HA -0.276 3.846 4.120 0.005 0.000 0.248 30 V C 2.205 178.315 176.094 0.028 0.000 1.055 30 V CA 2.286 64.612 62.300 0.043 0.000 1.038 30 V CB -0.875 30.968 31.823 0.032 0.000 0.651 30 V HN 0.650 nan 8.190 nan 0.000 0.450 31 E N -0.370 119.848 120.200 0.030 0.000 2.478 31 E HA -0.130 4.223 4.350 0.005 0.000 0.198 31 E C 1.925 178.544 176.600 0.031 0.000 1.046 31 E CA 0.151 56.566 56.400 0.025 0.000 0.870 31 E CB -0.012 29.701 29.700 0.022 0.000 0.818 31 E HN 0.454 nan 8.360 nan 0.000 0.527 32 K N 0.266 120.686 120.400 0.033 0.000 2.283 32 K HA -0.012 4.311 4.320 0.005 0.000 0.202 32 K C 1.067 177.684 176.600 0.028 0.000 1.048 32 K CA 0.873 57.177 56.287 0.029 0.000 0.948 32 K CB -0.147 32.370 32.500 0.027 0.000 0.742 32 K HN 0.237 nan 8.250 nan 0.000 0.458 43 L N 1.941 123.217 121.223 0.089 0.000 2.042 43 L HA 0.017 4.360 4.340 0.005 0.000 0.210 43 L C 2.368 179.339 176.870 0.169 0.000 1.076 43 L CA 1.401 56.312 54.840 0.119 0.000 0.749 43 L CB -1.225 40.888 42.059 0.089 0.000 0.893 43 L HN 0.255 nan 8.230 nan 0.000 0.432 44 L N -0.422 120.922 121.223 0.201 0.000 2.012 44 L HA -0.221 4.122 4.340 0.005 0.000 0.210 44 L C 2.755 179.843 176.870 0.365 0.000 1.073 44 L CA 2.226 57.240 54.840 0.291 0.000 0.748 44 L CB -0.736 41.513 42.059 0.316 0.000 0.891 44 L HN 0.460 nan 8.230 nan 0.000 0.431 45 S N -1.926 114.013 115.700 0.397 0.000 2.368 45 S HA -0.133 4.339 4.470 0.005 0.000 0.224 45 S C 1.950 176.719 174.600 0.283 0.000 1.029 45 S CA 1.206 59.641 58.200 0.392 0.000 0.988 45 S CB -1.187 62.298 63.200 0.475 0.000 0.838 45 S HN 0.249 nan 8.310 nan 0.000 0.462 46 V N 2.719 122.763 119.914 0.217 0.000 2.343 46 V HA -0.139 3.984 4.120 0.005 0.000 0.247 46 V C 3.160 179.317 176.094 0.104 0.000 1.051 46 V CA 1.706 64.089 62.300 0.138 0.000 1.036 46 V CB -1.555 30.354 31.823 0.142 0.000 0.654 46 V HN 0.679 nan 8.190 nan 0.000 0.451 47 A N -0.944 121.959 122.820 0.139 0.000 1.845 47 A HA -0.239 4.084 4.320 0.005 0.000 0.215 47 A C 2.076 179.642 177.584 -0.029 0.000 1.195 47 A CA 2.084 54.159 52.037 0.064 0.000 0.616 47 A CB -0.843 18.135 19.000 -0.037 0.000 0.832 47 A HN 0.548 nan 8.150 nan 0.000 0.443 48 Y N -0.182 120.191 120.300 0.122 0.000 2.314 48 Y HA -0.095 4.458 4.550 0.005 0.000 0.293 48 Y C 2.393 178.406 175.900 0.188 0.000 1.129 48 Y CA 1.664 59.843 58.100 0.131 0.000 1.201 48 Y CB -0.147 38.348 38.460 0.059 0.000 0.999 48 Y HN 0.335 nan 8.280 nan 0.000 0.541 49 K N 0.217 120.798 120.400 0.302 0.000 2.057 49 K HA -0.191 4.132 4.320 0.005 0.000 0.207 49 K C 1.586 178.175 176.600 -0.018 0.000 1.049 49 K CA 1.659 58.044 56.287 0.163 0.000 0.931 49 K CB -0.034 32.539 32.500 0.121 0.000 0.714 49 K HN 0.226 nan 8.250 nan 0.000 0.440 50 N N 0.317 118.942 118.700 -0.124 0.000 2.171 50 N HA -0.115 4.628 4.740 0.005 0.000 0.184 50 N C 1.781 177.210 175.510 -0.135 0.000 1.021 50 N CA 1.012 53.880 53.050 -0.304 0.000 0.854 50 N CB -0.299 37.640 38.487 -0.913 0.000 0.994 50 N HN -0.016 nan 8.380 nan 0.000 0.426 51 V N 0.640 120.537 119.914 -0.029 0.000 2.261 51 V HA -0.153 3.970 4.120 0.005 0.000 0.246 51 V C 2.311 178.423 176.094 0.031 0.000 1.047 51 V CA 1.284 63.603 62.300 0.031 0.000 1.015 51 V CB -0.535 31.316 31.823 0.047 0.000 0.642 51 V HN 0.068 nan 8.190 nan 0.000 0.446 52 V N 0.812 120.762 119.914 0.060 0.000 2.667 52 V HA -0.087 4.035 4.120 0.005 0.000 0.252 52 V C 2.551 178.558 176.094 -0.145 0.000 1.065 52 V CA 1.755 64.046 62.300 -0.016 0.000 1.083 52 V CB -1.209 30.622 31.823 0.014 0.000 0.692 52 V HN 0.617 nan 8.190 nan 0.000 0.468 53 G N 0.457 109.167 108.800 -0.151 0.000 2.408 53 G HA2 -0.133 3.830 3.960 0.005 0.000 0.217 53 G HA3 -0.133 3.830 3.960 0.005 0.000 0.217 53 G C 1.627 176.475 174.900 -0.088 0.000 1.150 53 G CA 0.865 45.867 45.100 -0.163 0.000 0.776 53 G HN 0.559 nan 8.290 nan 0.000 0.542 54 G N 0.272 109.041 108.800 -0.051 0.000 2.418 54 G HA2 -0.174 3.789 3.960 0.005 0.000 0.217 54 G HA3 -0.174 3.789 3.960 0.005 0.000 0.217 54 G C 1.796 176.700 174.900 0.008 0.000 1.158 54 G CA 1.061 46.155 45.100 -0.009 0.000 0.771 54 G HN 0.514 nan 8.290 nan 0.000 0.545 55 Q N -0.141 119.659 119.800 0.000 0.000 2.079 55 Q HA -0.029 4.314 4.340 0.005 0.000 0.200 55 Q C 2.820 178.845 176.000 0.041 0.000 0.974 55 Q CA 0.990 56.806 55.803 0.022 0.000 0.840 55 Q CB -0.132 28.613 28.738 0.012 0.000 0.898 55 Q HN 0.401 nan 8.270 nan 0.000 0.430 56 R N 0.418 120.903 120.500 -0.024 0.000 2.081 56 R HA -0.116 4.227 4.340 0.005 0.000 0.235 56 R C 2.319 178.678 176.300 0.098 0.000 1.131 56 R CA 1.276 57.372 56.100 -0.007 0.000 0.960 56 R CB -0.432 29.780 30.300 -0.147 0.000 0.856 56 R HN 0.212 nan 8.270 nan 0.000 0.436 57 A N 1.191 124.039 122.820 0.046 0.000 1.902 57 A HA -0.106 4.217 4.320 0.005 0.000 0.217 57 A C 2.365 179.997 177.584 0.079 0.000 1.181 57 A CA 1.687 53.759 52.037 0.059 0.000 0.623 57 A CB -0.675 18.341 19.000 0.027 0.000 0.818 57 A HN 0.403 nan 8.150 nan 0.000 0.443 58 A N -1.662 121.204 122.820 0.076 0.000 1.898 58 A HA -0.141 4.182 4.320 0.005 0.000 0.216 58 A C 2.001 179.622 177.584 0.062 0.000 1.181 58 A CA 1.450 53.520 52.037 0.056 0.000 0.620 58 A CB -0.937 18.087 19.000 0.040 0.000 0.819 58 A HN 0.833 nan 8.150 nan 0.000 0.442 59 W N 0.768 122.028 121.300 -0.066 0.000 2.338 59 W HA -0.215 4.447 4.660 0.003 0.000 0.304 59 W C 2.382 178.877 176.519 -0.040 0.000 1.212 59 W CA 2.144 59.449 57.345 -0.067 0.000 1.264 59 W CB -0.092 29.334 29.460 -0.056 0.000 1.142 59 W HN 0.245 nan 8.180 nan 0.000 0.512 60 R N -0.545 120.107 120.500 0.254 0.000 2.096 60 R HA -0.156 4.187 4.340 0.005 0.000 0.235 60 R C 2.008 178.267 176.300 -0.069 0.000 1.127 60 R CA 1.786 57.951 56.100 0.108 0.000 0.968 60 R CB -0.972 29.436 30.300 0.179 0.000 0.861 60 R HN 0.164 nan 8.270 nan 0.000 0.440 61 V N 1.474 121.364 119.914 -0.040 0.000 2.295 61 V HA -0.234 3.889 4.120 0.005 0.000 0.246 61 V C 2.259 178.285 176.094 -0.113 0.000 1.049 61 V CA 1.711 63.981 62.300 -0.051 0.000 1.024 61 V CB -0.376 31.441 31.823 -0.010 0.000 0.648 61 V HN 0.275 nan 8.190 nan 0.000 0.447 62 L N -0.287 120.830 121.223 -0.178 0.000 2.056 62 L HA -0.142 4.200 4.340 0.005 0.000 0.207 62 L C 2.690 179.367 176.870 -0.322 0.000 1.078 62 L CA 1.812 56.518 54.840 -0.223 0.000 0.749 62 L CB -0.727 41.171 42.059 -0.268 0.000 0.901 62 L HN 0.366 nan 8.230 nan 0.000 0.433 63 S N -0.679 114.690 115.700 -0.553 0.000 2.382 63 S HA -0.165 4.308 4.470 0.005 0.000 0.228 63 S C 2.187 176.606 174.600 -0.302 0.000 1.027 63 S CA 1.687 59.529 58.200 -0.597 0.000 0.991 63 S CB -0.072 62.444 63.200 -1.139 0.000 0.823 63 S HN 0.392 nan 8.310 nan 0.000 0.469 64 S N 1.142 116.714 115.700 -0.213 0.000 2.383 64 S HA 0.073 4.546 4.470 0.005 0.000 0.227 64 S C 1.703 176.250 174.600 -0.089 0.000 1.026 64 S CA 1.212 59.344 58.200 -0.113 0.000 0.981 64 S CB -0.363 62.796 63.200 -0.069 0.000 0.818 64 S HN 0.530 nan 8.310 nan 0.000 0.472 65 I N 1.395 121.910 120.570 -0.091 0.000 2.252 65 I HA -0.179 3.994 4.170 0.005 0.000 0.245 65 I C 2.693 178.771 176.117 -0.065 0.000 1.102 65 I CA 1.249 62.513 61.300 -0.060 0.000 1.385 65 I CB -0.280 37.693 38.000 -0.045 0.000 1.064 65 I HN 0.354 nan 8.210 nan 0.000 0.414 66 E N 0.793 120.936 120.200 -0.095 0.000 2.051 66 E HA -0.283 4.070 4.350 0.005 0.000 0.192 66 E C 2.199 178.759 176.600 -0.068 0.000 0.991 66 E CA 1.351 57.701 56.400 -0.084 0.000 0.799 66 E CB 0.026 29.653 29.700 -0.122 0.000 0.748 66 E HN 0.498 nan 8.360 nan 0.000 0.449 67 Q N -0.002 119.751 119.800 -0.078 0.000 2.061 67 Q HA -0.192 4.150 4.340 0.005 0.000 0.204 67 Q C 2.430 178.408 176.000 -0.036 0.000 0.984 67 Q CA 2.195 57.966 55.803 -0.052 0.000 0.846 67 Q CB 0.014 28.721 28.738 -0.052 0.000 0.902 67 Q HN -0.003 nan 8.270 nan 0.000 0.421 68 K N 0.274 120.652 120.400 -0.036 0.000 2.057 68 K HA -0.136 4.186 4.320 0.005 0.000 0.207 68 K C 2.375 178.962 176.600 -0.021 0.000 1.049 68 K CA 1.262 57.535 56.287 -0.024 0.000 0.931 68 K CB -0.939 31.547 32.500 -0.023 0.000 0.714 68 K HN 0.584 nan 8.250 nan 0.000 0.440 69 S N 1.388 117.073 115.700 -0.024 0.000 2.420 69 S HA -0.178 4.295 4.470 0.005 0.000 0.237 69 S C 1.438 176.029 174.600 -0.015 0.000 1.023 69 S CA 1.562 59.751 58.200 -0.018 0.000 0.991 69 S CB -0.435 62.754 63.200 -0.019 0.000 0.792 69 S HN 0.393 nan 8.310 nan 0.000 0.488 70 N N 1.662 120.352 118.700 -0.017 0.000 2.276 70 N HA 0.261 5.004 4.740 0.005 0.000 0.212 70 N C -0.346 175.158 175.510 -0.010 0.000 1.127 70 N CA 0.091 53.133 53.050 -0.013 0.000 0.834 70 N CB 0.267 38.745 38.487 -0.014 0.000 1.014 70 N HN 0.678 nan 8.380 nan 0.000 0.491 71 E N 0.801 120.995 120.200 -0.010 0.000 2.318 71 E HA 0.305 4.658 4.350 0.005 0.000 0.265 71 E C 0.302 176.899 176.600 -0.006 0.000 1.069 71 E CA -0.341 56.054 56.400 -0.008 0.000 0.893 71 E CB 0.710 30.405 29.700 -0.008 0.000 1.076 71 E HN 0.275 nan 8.360 nan 0.000 0.414 72 E N 0.417 120.614 120.200 -0.005 0.000 2.480 72 E HA 0.264 4.617 4.350 0.005 0.000 0.258 72 E C 0.965 177.563 176.600 -0.004 0.000 0.984 72 E CA 0.371 56.768 56.400 -0.004 0.000 0.930 72 E CB -0.171 29.527 29.700 -0.003 0.000 0.936 72 E HN 0.806 nan 8.360 nan 0.000 0.466 73 G N 1.906 110.704 108.800 -0.004 0.000 2.175 73 G HA2 -0.220 3.743 3.960 0.005 0.000 0.244 73 G HA3 -0.220 3.743 3.960 0.005 0.000 0.244 73 G C 0.695 175.592 174.900 -0.004 0.000 0.982 73 G CA 0.350 45.448 45.100 -0.004 0.000 0.641 73 G HN 1.187 nan 8.290 nan 0.000 0.527 74 S N 0.740 116.437 115.700 -0.005 0.000 2.528 74 S HA 0.475 4.947 4.470 0.005 0.000 0.277 74 S C 0.292 174.889 174.600 -0.005 0.000 1.297 74 S CA -0.246 57.951 58.200 -0.006 0.000 1.052 74 S CB 1.674 64.870 63.200 -0.008 0.000 0.917 74 S HN 0.482 nan 8.310 nan 0.000 0.492 75 E N 2.425 122.622 120.200 -0.005 0.000 2.373 75 E HA 0.340 4.693 4.350 0.005 0.000 0.267 75 E C 0.350 176.947 176.600 -0.005 0.000 1.032 75 E CA 0.088 56.486 56.400 -0.004 0.000 0.889 75 E CB 0.342 30.040 29.700 -0.004 0.000 0.984 75 E HN 0.676 nan 8.360 nan 0.000 0.425 76 E N 3.325 123.522 120.200 -0.004 0.000 2.324 76 E HA 0.117 4.470 4.350 0.005 0.000 0.271 76 E C 0.230 176.828 176.600 -0.003 0.000 1.028 76 E CA 0.238 56.636 56.400 -0.003 0.000 0.890 76 E CB -0.016 29.683 29.700 -0.002 0.000 1.004 76 E HN 0.575 nan 8.360 nan 0.000 0.431 77 K N 1.717 122.115 120.400 -0.003 0.000 2.469 77 K HA 0.489 4.812 4.320 0.005 0.000 0.204 77 K C 0.892 177.491 176.600 -0.002 0.000 1.047 77 K CA -0.006 56.279 56.287 -0.004 0.000 1.072 77 K CB 0.209 32.706 32.500 -0.005 0.000 0.863 77 K HN 1.327 nan 8.250 nan 0.000 0.530 78 G N 2.682 111.482 108.800 -0.000 0.000 2.728 78 G HA2 -0.205 3.758 3.960 0.005 0.000 0.294 78 G HA3 -0.205 3.758 3.960 0.005 0.000 0.294 78 G C -2.215 172.688 174.900 0.005 0.000 1.342 78 G CA -0.327 44.774 45.100 0.002 0.000 0.866 78 G HN 0.056 nan 8.290 nan 0.000 0.534 79 P HA 0.129 nan 4.420 nan 0.000 0.241 79 P C 1.047 178.359 177.300 0.021 0.000 1.191 79 P CA 1.045 64.153 63.100 0.013 0.000 0.771 79 P CB 0.225 31.934 31.700 0.015 0.000 0.929 80 E N 0.184 120.396 120.200 0.019 0.000 2.072 80 E HA -0.109 4.244 4.350 0.005 0.000 0.191 80 E C 2.071 178.705 176.600 0.057 0.000 0.985 80 E CA 0.747 57.165 56.400 0.030 0.000 0.801 80 E CB -1.258 28.447 29.700 0.008 0.000 0.750 80 E HN 0.021 nan 8.360 nan 0.000 0.452 81 V N 0.854 120.793 119.914 0.040 0.000 2.358 81 V HA -0.250 3.873 4.120 0.005 0.000 0.246 81 V C 2.395 178.508 176.094 0.032 0.000 1.047 81 V CA 2.083 64.412 62.300 0.049 0.000 1.035 81 V CB -0.204 31.627 31.823 0.013 0.000 0.658 81 V HN 0.200 nan 8.190 nan 0.000 0.452 82 R N -0.250 120.259 120.500 0.015 0.000 2.083 82 R HA -0.217 4.126 4.340 0.005 0.000 0.237 82 R C 2.206 178.525 176.300 0.031 0.000 1.137 82 R CA 2.373 58.477 56.100 0.007 0.000 0.951 82 R CB -0.365 29.940 30.300 0.008 0.000 0.851 82 R HN 0.673 nan 8.270 nan 0.000 0.434 83 E N -0.741 119.492 120.200 0.056 0.000 2.077 83 E HA -0.243 4.110 4.350 0.005 0.000 0.193 83 E C 1.789 178.463 176.600 0.124 0.000 0.989 83 E CA 1.483 57.930 56.400 0.077 0.000 0.800 83 E CB -0.254 29.492 29.700 0.076 0.000 0.746 83 E HN 0.372 nan 8.360 nan 0.000 0.452 84 Y N 1.583 121.882 120.300 -0.002 0.000 2.220 84 Y HA -0.121 4.431 4.550 0.004 0.000 0.291 84 Y C 2.298 178.200 175.900 0.003 0.000 1.129 84 Y CA 1.227 59.328 58.100 0.001 0.000 1.161 84 Y CB -0.053 38.402 38.460 -0.009 0.000 0.997 84 Y HN -0.167 nan 8.280 nan 0.000 0.522 85 R N 1.181 121.608 120.500 -0.122 0.000 2.103 85 R HA -0.217 4.126 4.340 0.005 0.000 0.242 85 R C 1.909 178.172 176.300 -0.063 0.000 1.142 85 R CA 2.275 58.255 56.100 -0.201 0.000 0.960 85 R CB -0.450 29.715 30.300 -0.225 0.000 0.858 85 R HN 0.548 nan 8.270 nan 0.000 0.439 86 E N 0.178 120.381 120.200 0.004 0.000 2.077 86 E HA -0.202 4.151 4.350 0.005 0.000 0.193 86 E C 2.075 178.705 176.600 0.049 0.000 0.989 86 E CA 1.316 57.751 56.400 0.058 0.000 0.800 86 E CB -0.094 29.640 29.700 0.057 0.000 0.746 86 E HN 0.312 nan 8.360 nan 0.000 0.452 87 K N 0.933 121.347 120.400 0.023 0.000 2.002 87 K HA -0.157 4.166 4.320 0.005 0.000 0.209 87 K C 2.103 178.702 176.600 -0.000 0.000 1.048 87 K CA 1.360 57.665 56.287 0.031 0.000 0.930 87 K CB -0.045 32.507 32.500 0.088 0.000 0.714 87 K HN -0.021 nan 8.250 nan 0.000 0.438 88 V N 1.712 121.572 119.914 -0.090 0.000 2.343 88 V HA -0.238 3.885 4.120 0.005 0.000 0.247 88 V C 2.419 178.566 176.094 0.089 0.000 1.051 88 V CA 2.245 64.519 62.300 -0.044 0.000 1.036 88 V CB -0.555 31.176 31.823 -0.155 0.000 0.654 88 V HN 0.501 nan 8.190 nan 0.000 0.451 89 E N -0.004 120.307 120.200 0.184 0.000 2.085 89 E HA -0.234 4.118 4.350 0.005 0.000 0.194 89 E C 2.212 178.853 176.600 0.068 0.000 0.994 89 E CA 1.929 58.444 56.400 0.191 0.000 0.801 89 E CB -0.142 29.741 29.700 0.304 0.000 0.743 89 E HN 0.618 nan 8.360 nan 0.000 0.453 90 T N 0.567 115.159 114.554 0.063 0.000 2.788 90 T HA -0.168 4.185 4.350 0.005 0.000 0.268 90 T C 1.662 176.380 174.700 0.030 0.000 1.044 90 T CA 1.343 63.467 62.100 0.040 0.000 1.139 90 T CB -0.185 68.708 68.868 0.041 0.000 0.867 90 T HN 0.295 nan 8.240 nan 0.000 0.454 91 E N 0.427 120.648 120.200 0.034 0.000 2.072 91 E HA -0.119 4.233 4.350 0.005 0.000 0.191 91 E C 2.189 178.807 176.600 0.031 0.000 0.985 91 E CA 0.787 57.206 56.400 0.033 0.000 0.801 91 E CB -0.145 29.578 29.700 0.037 0.000 0.750 91 E HN 0.302 nan 8.360 nan 0.000 0.452 92 L N 1.349 122.586 121.223 0.023 0.000 2.017 92 L HA -0.227 4.116 4.340 0.005 0.000 0.208 92 L C 2.222 179.096 176.870 0.006 0.000 1.073 92 L CA 1.830 56.674 54.840 0.007 0.000 0.745 92 L CB -0.385 41.648 42.059 -0.044 0.000 0.894 92 L HN 0.136 nan 8.230 nan 0.000 0.432 93 Q N -0.577 119.217 119.800 -0.010 0.000 2.135 93 Q HA -0.150 4.193 4.340 0.005 0.000 0.204 93 Q C 2.128 178.123 176.000 -0.009 0.000 0.981 93 Q CA 1.417 57.212 55.803 -0.013 0.000 0.856 93 Q CB -0.629 28.101 28.738 -0.015 0.000 0.902 93 Q HN 0.720 nan 8.270 nan 0.000 0.425 94 G N 0.153 108.954 108.800 0.001 0.000 2.418 94 G HA2 -0.223 3.740 3.960 0.005 0.000 0.217 94 G HA3 -0.223 3.740 3.960 0.005 0.000 0.217 94 G C 1.493 176.390 174.900 -0.004 0.000 1.158 94 G CA 0.872 45.970 45.100 -0.003 0.000 0.771 94 G HN 0.214 nan 8.290 nan 0.000 0.545 95 V N 0.465 120.397 119.914 0.029 0.000 2.307 95 V HA -0.202 3.921 4.120 0.005 0.000 0.245 95 V C 3.057 179.136 176.094 -0.025 0.000 1.045 95 V CA 1.770 64.103 62.300 0.056 0.000 1.024 95 V CB -0.635 31.274 31.823 0.144 0.000 0.651 95 V HN 0.503 nan 8.190 nan 0.000 0.449 96 C N 0.147 119.468 119.300 0.036 0.000 2.429 96 C HA -0.155 4.308 4.460 0.005 0.000 0.277 96 C C 2.513 177.408 174.990 -0.159 0.000 1.262 96 C CA 0.866 59.903 59.018 0.031 0.000 1.733 96 C CB -1.084 26.706 27.740 0.083 0.000 2.010 96 C HN 0.596 nan 8.230 nan 0.000 0.483 97 D N 0.408 120.727 120.400 -0.134 0.000 2.144 97 D HA -0.094 4.549 4.640 0.005 0.000 0.199 97 D C 2.188 178.372 176.300 -0.193 0.000 0.984 97 D CA 1.485 55.389 54.000 -0.160 0.000 0.834 97 D CB -0.641 40.100 40.800 -0.099 0.000 0.955 97 D HN 0.434 nan 8.370 nan 0.000 0.465 98 T N 0.460 114.901 114.554 -0.188 0.000 2.674 98 T HA -0.100 4.253 4.350 0.005 0.000 0.265 98 T C 2.254 176.730 174.700 -0.373 0.000 1.039 98 T CA 0.945 62.916 62.100 -0.216 0.000 1.150 98 T CB -0.344 68.438 68.868 -0.143 0.000 0.864 98 T HN -0.026 nan 8.240 nan 0.000 0.427 99 V N 1.528 121.102 119.914 -0.566 0.000 2.295 99 V HA -0.105 4.018 4.120 0.005 0.000 0.246 99 V C 2.512 178.304 176.094 -0.502 0.000 1.049 99 V CA 1.457 63.305 62.300 -0.753 0.000 1.024 99 V CB -0.726 30.358 31.823 -1.231 0.000 0.648 99 V HN 0.426 nan 8.190 nan 0.000 0.447 100 L N 0.488 121.457 121.223 -0.422 0.000 2.079 100 L HA -0.111 4.232 4.340 0.005 0.000 0.210 100 L C 2.610 179.322 176.870 -0.263 0.000 1.081 100 L CA 1.685 56.320 54.840 -0.341 0.000 0.752 100 L CB -1.095 40.721 42.059 -0.405 0.000 0.896 100 L HN 0.481 nan 8.230 nan 0.000 0.433 101 G N 0.002 108.653 108.800 -0.248 0.000 2.408 101 G HA2 -0.182 3.780 3.960 0.005 0.000 0.217 101 G HA3 -0.182 3.780 3.960 0.005 0.000 0.217 101 G C 1.628 176.388 174.900 -0.234 0.000 1.150 101 G CA 0.418 45.393 45.100 -0.209 0.000 0.776 101 G HN 0.226 nan 8.290 nan 0.000 0.542 102 L N -0.099 120.974 121.223 -0.251 0.000 2.046 102 L HA -0.009 4.334 4.340 0.005 0.000 0.208 102 L C 2.892 179.602 176.870 -0.266 0.000 1.077 102 L CA 0.565 55.261 54.840 -0.239 0.000 0.747 102 L CB -0.399 41.526 42.059 -0.222 0.000 0.896 102 L HN 0.185 nan 8.230 nan 0.000 0.432 103 L N -0.471 120.590 121.223 -0.270 0.000 2.046 103 L HA -0.232 4.110 4.340 0.005 0.000 0.208 103 L C 2.077 178.812 176.870 -0.226 0.000 1.077 103 L CA 1.335 56.016 54.840 -0.266 0.000 0.747 103 L CB -0.476 41.459 42.059 -0.208 0.000 0.896 103 L HN 0.250 nan 8.230 nan 0.000 0.432 104 D N -0.915 119.361 120.400 -0.206 0.000 2.277 104 D HA -0.062 4.581 4.640 0.005 0.000 0.208 104 D C 0.336 176.469 176.300 -0.279 0.000 0.962 104 D CA 0.526 54.421 54.000 -0.175 0.000 0.865 104 D CB 0.343 41.062 40.800 -0.136 0.000 0.939 104 D HN 0.022 nan 8.370 nan 0.000 0.510 105 S N -0.565 114.869 115.700 -0.442 0.000 2.204 105 S HA 0.230 4.703 4.470 0.005 0.000 0.147 105 S C -0.745 173.435 174.600 -0.700 0.000 1.711 105 S CA -0.598 56.995 58.200 -1.011 0.000 1.274 105 S CB 0.303 63.072 63.200 -0.718 0.000 1.257 105 S HN 0.260 nan 8.310 nan 0.000 0.404 106 H N 1.119 120.126 119.070 -0.105 0.000 3.064 106 H HA 0.238 4.797 4.556 0.005 0.000 0.232 106 H C 0.939 176.181 175.328 -0.144 0.000 1.308 106 H CA -0.209 55.779 56.048 -0.101 0.000 1.010 106 H CB 0.149 29.872 29.762 -0.064 0.000 2.408 106 H HN 0.334 nan 8.280 nan 0.000 0.599 107 L N 0.002 121.102 121.223 -0.205 0.000 2.017 107 L HA -0.138 4.205 4.340 0.005 0.000 0.208 107 L C 2.260 178.937 176.870 -0.320 0.000 1.073 107 L CA 1.524 56.129 54.840 -0.392 0.000 0.745 107 L CB -0.237 41.310 42.059 -0.852 0.000 0.894 107 L HN 0.244 nan 8.230 nan 0.000 0.432 108 I N 0.264 120.694 120.570 -0.232 0.000 2.179 108 I HA -0.306 3.867 4.170 0.005 0.000 0.242 108 I C 2.654 178.784 176.117 0.022 0.000 1.088 108 I CA 1.554 62.827 61.300 -0.045 0.000 1.357 108 I CB -0.339 37.647 38.000 -0.023 0.000 1.051 108 I HN 0.339 nan 8.210 nan 0.000 0.409 109 K N 0.720 121.129 120.400 0.014 0.000 2.211 109 K HA -0.100 4.223 4.320 0.005 0.000 0.203 109 K C 1.485 178.107 176.600 0.036 0.000 1.050 109 K CA 1.279 57.586 56.287 0.034 0.000 0.945 109 K CB -0.211 32.316 32.500 0.046 0.000 0.732 109 K HN 0.107 nan 8.250 nan 0.000 0.451 110 E N 0.341 120.565 120.200 0.040 0.000 2.474 110 E HA 0.200 4.553 4.350 0.005 0.000 0.194 110 E C 0.217 176.862 176.600 0.075 0.000 1.041 110 E CA 0.393 56.819 56.400 0.044 0.000 0.874 110 E CB 0.693 30.415 29.700 0.037 0.000 0.914 110 E HN 0.526 nan 8.360 nan 0.000 0.498 111 A N 0.484 123.374 122.820 0.115 0.000 2.343 111 A HA 0.620 4.943 4.320 0.005 0.000 0.305 111 A C 1.300 178.948 177.584 0.108 0.000 1.308 111 A CA 0.166 52.305 52.037 0.170 0.000 0.949 111 A CB 0.377 19.585 19.000 0.348 0.000 1.148 111 A HN 0.327 nan 8.150 nan 0.000 0.545 112 G N 1.489 110.335 108.800 0.076 0.000 2.743 112 G HA2 0.150 4.113 3.960 0.005 0.000 0.206 112 G HA3 0.150 4.113 3.960 0.005 0.000 0.206 112 G C 0.017 174.940 174.900 0.040 0.000 1.115 112 G CA -0.004 45.126 45.100 0.049 0.000 0.782 112 G HN 0.609 nan 8.290 nan 0.000 0.524 113 D N 0.352 120.774 120.400 0.036 0.000 2.339 113 D HA 0.472 5.115 4.640 0.005 0.000 0.245 113 D C 1.441 177.754 176.300 0.022 0.000 1.115 113 D CA 0.259 54.271 54.000 0.021 0.000 0.917 113 D CB 1.724 42.530 40.800 0.009 0.000 1.192 113 D HN 0.063 nan 8.370 nan 0.000 0.428 114 A N 2.063 124.892 122.820 0.016 0.000 1.933 114 A HA -0.184 4.139 4.320 0.005 0.000 0.218 114 A C 1.737 179.329 177.584 0.013 0.000 1.175 114 A CA 1.226 53.273 52.037 0.018 0.000 0.628 114 A CB -0.350 18.658 19.000 0.015 0.000 0.814 114 A HN 0.615 nan 8.150 nan 0.000 0.444 115 E N 0.280 120.479 120.200 -0.003 0.000 2.106 115 E HA -0.141 4.212 4.350 0.005 0.000 0.192 115 E C 2.410 178.982 176.600 -0.046 0.000 0.984 115 E CA 1.424 57.814 56.400 -0.015 0.000 0.806 115 E CB -0.183 29.499 29.700 -0.031 0.000 0.750 115 E HN 0.815 nan 8.360 nan 0.000 0.458 116 S N 1.024 116.682 115.700 -0.070 0.000 2.357 116 S HA -0.126 4.347 4.470 0.005 0.000 0.221 116 S C 2.066 176.621 174.600 -0.074 0.000 1.031 116 S CA 0.709 58.807 58.200 -0.169 0.000 0.982 116 S CB -0.213 62.943 63.200 -0.072 0.000 0.853 116 S HN 0.087 nan 8.310 nan 0.000 0.458 117 R N 0.903 121.440 120.500 0.061 0.000 2.073 117 R HA -0.010 4.333 4.340 0.005 0.000 0.234 117 R C 2.167 178.525 176.300 0.097 0.000 1.134 117 R CA 1.536 57.714 56.100 0.130 0.000 0.952 117 R CB -0.656 29.699 30.300 0.093 0.000 0.850 117 R HN 0.363 nan 8.270 nan 0.000 0.433 118 V N 0.908 120.856 119.914 0.056 0.000 2.287 118 V HA -0.263 3.860 4.120 0.005 0.000 0.248 118 V C 2.005 178.123 176.094 0.039 0.000 1.053 118 V CA 2.064 64.389 62.300 0.041 0.000 1.027 118 V CB -0.701 31.144 31.823 0.036 0.000 0.646 118 V HN 0.371 nan 8.190 nan 0.000 0.447 119 F N 0.269 120.147 119.950 -0.119 0.000 2.095 119 F HA -0.270 4.259 4.527 0.004 0.000 0.298 119 F C 2.273 178.021 175.800 -0.085 0.000 1.104 119 F CA 1.974 59.882 58.000 -0.154 0.000 1.232 119 F CB -0.398 38.417 39.000 -0.309 0.000 0.987 119 F HN 0.180 nan 8.300 nan 0.000 0.475 120 Y N 0.509 120.897 120.300 0.146 0.000 2.263 120 Y HA -0.102 4.451 4.550 0.005 0.000 0.292 120 Y C 2.317 178.149 175.900 -0.113 0.000 1.130 120 Y CA 1.187 59.295 58.100 0.013 0.000 1.179 120 Y CB -1.060 37.478 38.460 0.130 0.000 0.998 120 Y HN 0.096 nan 8.280 nan 0.000 0.532 121 L N -0.011 121.250 121.223 0.063 0.000 2.093 121 L HA -0.209 4.133 4.340 0.005 0.000 0.208 121 L C 2.543 179.323 176.870 -0.149 0.000 1.085 121 L CA 1.485 56.296 54.840 -0.049 0.000 0.755 121 L CB -0.489 41.546 42.059 -0.040 0.000 0.904 121 L HN 0.127 nan 8.230 nan 0.000 0.435 122 K N 0.469 120.791 120.400 -0.130 0.000 2.032 122 K HA -0.256 4.067 4.320 0.005 0.000 0.209 122 K C 2.248 178.729 176.600 -0.198 0.000 1.048 122 K CA 1.758 57.976 56.287 -0.115 0.000 0.927 122 K CB -0.118 32.334 32.500 -0.081 0.000 0.712 122 K HN 0.179 nan 8.250 nan 0.000 0.441 123 M N 0.962 120.412 119.600 -0.251 0.000 2.117 123 M HA -0.208 4.275 4.480 0.005 0.000 0.262 123 M C 2.208 178.459 176.300 -0.082 0.000 1.065 123 M CA 1.697 56.908 55.300 -0.148 0.000 1.114 123 M CB -0.102 32.374 32.600 -0.206 0.000 1.361 123 M HN 0.082 nan 8.290 nan 0.000 0.408 124 K N -0.352 119.962 120.400 -0.144 0.000 2.032 124 K HA -0.157 4.166 4.320 0.005 0.000 0.209 124 K C 1.842 178.298 176.600 -0.240 0.000 1.048 124 K CA 1.777 57.980 56.287 -0.141 0.000 0.927 124 K CB -0.545 31.900 32.500 -0.091 0.000 0.712 124 K HN 0.510 nan 8.250 nan 0.000 0.441 125 G N 1.005 109.464 108.800 -0.569 0.000 2.446 125 G HA2 -0.272 3.691 3.960 0.005 0.000 0.217 125 G HA3 -0.272 3.691 3.960 0.005 0.000 0.217 125 G C 1.049 175.420 174.900 -0.881 0.000 1.168 125 G CA 1.190 45.560 45.100 -1.218 0.000 0.771 125 G HN 0.348 nan 8.290 nan 0.000 0.551 126 D N -0.062 119.990 120.400 -0.581 0.000 2.104 126 D HA -0.100 4.543 4.640 0.005 0.000 0.194 126 D C 2.128 177.755 176.300 -1.121 0.000 0.994 126 D CA 0.962 54.572 54.000 -0.650 0.000 0.830 126 D CB -0.307 40.186 40.800 -0.511 0.000 0.959 126 D HN 0.445 nan 8.370 nan 0.000 0.452 127 Y N -0.691 119.258 120.300 -0.585 0.000 2.337 127 Y HA -0.099 4.454 4.550 0.005 0.000 0.293 127 Y C 2.110 177.780 175.900 -0.383 0.000 1.123 127 Y CA 0.513 58.341 58.100 -0.454 0.000 1.201 127 Y CB -0.415 37.867 38.460 -0.298 0.000 1.011 127 Y HN 0.018 nan 8.280 nan 0.000 0.545 128 Y N -0.086 120.082 120.300 -0.220 0.000 2.242 128 Y HA -0.211 4.341 4.550 0.004 0.000 0.291 128 Y C 2.630 178.439 175.900 -0.151 0.000 1.137 128 Y CA 1.411 59.409 58.100 -0.170 0.000 1.181 128 Y CB -0.459 37.883 38.460 -0.196 0.000 0.989 128 Y HN 0.004 nan 8.280 nan 0.000 0.527 129 R N -0.667 119.775 120.500 -0.096 0.000 2.091 129 R HA -0.223 4.120 4.340 0.005 0.000 0.238 129 R C 1.742 178.035 176.300 -0.013 0.000 1.136 129 R CA 1.931 58.030 56.100 -0.002 0.000 0.959 129 R CB -0.545 29.780 30.300 0.043 0.000 0.856 129 R HN 0.257 nan 8.270 nan 0.000 0.437 130 Y N 0.787 121.040 120.300 -0.078 0.000 2.242 130 Y HA -0.114 4.439 4.550 0.005 0.000 0.291 130 Y C 2.125 177.941 175.900 -0.140 0.000 1.137 130 Y CA 0.635 58.650 58.100 -0.142 0.000 1.181 130 Y CB -0.668 37.664 38.460 -0.214 0.000 0.989 130 Y HN 0.052 nan 8.280 nan 0.000 0.527 131 L N -0.638 120.605 121.223 0.034 0.000 2.083 131 L HA -0.213 4.130 4.340 0.005 0.000 0.209 131 L C 2.623 179.486 176.870 -0.010 0.000 1.083 131 L CA 1.198 56.036 54.840 -0.003 0.000 0.752 131 L CB -0.807 41.267 42.059 0.026 0.000 0.899 131 L HN 0.206 nan 8.230 nan 0.000 0.433 132 A N -0.272 122.570 122.820 0.037 0.000 1.969 132 A HA -0.197 4.126 4.320 0.005 0.000 0.218 132 A C 2.121 179.693 177.584 -0.021 0.000 1.169 132 A CA 1.359 53.419 52.037 0.037 0.000 0.635 132 A CB -0.372 18.688 19.000 0.100 0.000 0.810 132 A HN 0.446 nan 8.150 nan 0.000 0.445 133 E N -0.421 119.744 120.200 -0.058 0.000 2.153 133 E HA -0.136 4.217 4.350 0.005 0.000 0.194 133 E C 1.678 178.090 176.600 -0.313 0.000 0.988 133 E CA 1.599 57.917 56.400 -0.137 0.000 0.811 133 E CB -0.166 29.444 29.700 -0.150 0.000 0.746 133 E HN 0.679 nan 8.360 nan 0.000 0.466 134 V N -2.891 116.788 119.914 -0.391 0.000 3.578 134 V HA 0.436 4.559 4.120 0.005 0.000 0.290 134 V C 0.595 176.634 176.094 -0.093 0.000 1.376 134 V CA -0.127 61.894 62.300 -0.466 0.000 1.083 134 V CB 0.217 31.572 31.823 -0.781 0.000 0.911 134 V HN 0.046 nan 8.190 nan 0.000 0.433 135 A N 1.715 124.506 122.820 -0.048 0.000 2.388 135 A HA 0.718 5.041 4.320 0.005 0.000 0.257 135 A C 0.537 178.146 177.584 0.041 0.000 1.095 135 A CA 0.678 52.721 52.037 0.011 0.000 0.791 135 A CB 0.133 19.142 19.000 0.015 0.000 1.029 135 A HN 0.993 nan 8.150 nan 0.000 0.489 136 T N -1.208 113.376 114.554 0.050 0.000 2.843 136 T HA 0.807 5.160 4.350 0.005 0.000 0.302 136 T C 0.194 174.918 174.700 0.039 0.000 1.232 136 T CA 0.153 62.285 62.100 0.053 0.000 1.009 136 T CB 1.040 69.953 68.868 0.074 0.000 1.254 136 T HN 2.649 nan 8.240 nan 0.000 0.504 137 G N -0.163 108.656 108.800 0.032 0.000 2.782 137 G HA2 0.145 4.108 3.960 0.005 0.000 0.228 137 G HA3 0.145 4.108 3.960 0.005 0.000 0.228 137 G C 0.368 175.281 174.900 0.022 0.000 1.372 137 G CA 0.592 45.708 45.100 0.027 0.000 0.862 137 G HN 1.553 nan 8.290 nan 0.000 0.547 138 D N -0.874 119.538 120.400 0.019 0.000 2.277 138 D HA 0.135 4.777 4.640 0.005 0.000 0.208 138 D C 1.687 177.996 176.300 0.014 0.000 0.962 138 D CA 1.862 55.871 54.000 0.014 0.000 0.865 138 D CB -0.160 40.647 40.800 0.012 0.000 0.939 138 D HN 0.510 nan 8.370 nan 0.000 0.510 139 D N -0.801 119.609 120.400 0.017 0.000 2.349 139 D HA 0.054 4.697 4.640 0.005 0.000 0.214 139 D C 1.772 178.084 176.300 0.020 0.000 1.063 139 D CA 0.052 54.062 54.000 0.017 0.000 0.847 139 D CB 0.409 41.222 40.800 0.022 0.000 0.933 139 D HN 0.426 nan 8.370 nan 0.000 0.513 140 K N 1.481 121.895 120.400 0.022 0.000 2.044 140 K HA -0.198 4.125 4.320 0.005 0.000 0.210 140 K C 1.688 178.303 176.600 0.024 0.000 1.049 140 K CA 1.229 57.531 56.287 0.025 0.000 0.927 140 K CB 0.210 32.724 32.500 0.023 0.000 0.713 140 K HN -0.027 nan 8.250 nan 0.000 0.443 141 K N 0.019 120.429 120.400 0.016 0.000 2.063 141 K HA -0.160 4.163 4.320 0.005 0.000 0.208 141 K C 2.323 178.928 176.600 0.008 0.000 1.048 141 K CA 1.606 57.903 56.287 0.015 0.000 0.928 141 K CB -0.103 32.402 32.500 0.009 0.000 0.713 141 K HN 0.150 nan 8.250 nan 0.000 0.442 142 R N 0.500 120.997 120.500 -0.005 0.000 2.092 142 R HA -0.027 4.316 4.340 0.005 0.000 0.231 142 R C 2.310 178.571 176.300 -0.066 0.000 1.119 142 R CA 1.081 57.160 56.100 -0.034 0.000 0.970 142 R CB -0.221 30.060 30.300 -0.031 0.000 0.864 142 R HN 0.191 nan 8.270 nan 0.000 0.440 143 I N 0.490 121.049 120.570 -0.019 0.000 2.202 143 I HA -0.284 3.889 4.170 0.005 0.000 0.242 143 I C 2.185 178.296 176.117 -0.010 0.000 1.091 143 I CA 1.333 62.631 61.300 -0.003 0.000 1.368 143 I CB -0.202 37.854 38.000 0.092 0.000 1.058 143 I HN 0.129 nan 8.210 nan 0.000 0.410 144 I N 0.659 121.266 120.570 0.062 0.000 2.208 144 I HA -0.333 3.840 4.170 0.005 0.000 0.245 144 I C 2.154 178.350 176.117 0.132 0.000 1.097 144 I CA 1.704 63.109 61.300 0.176 0.000 1.363 144 I CB -0.410 37.684 38.000 0.158 0.000 1.051 144 I HN 0.254 nan 8.210 nan 0.000 0.413 145 D N 0.261 120.675 120.400 0.023 0.000 2.144 145 D HA -0.148 4.495 4.640 0.005 0.000 0.199 145 D C 2.268 178.467 176.300 -0.167 0.000 0.984 145 D CA 1.218 55.202 54.000 -0.026 0.000 0.834 145 D CB 0.167 40.947 40.800 -0.033 0.000 0.955 145 D HN 0.105 nan 8.370 nan 0.000 0.465 146 S N -0.438 115.066 115.700 -0.326 0.000 2.368 146 S HA -0.152 4.320 4.470 0.005 0.000 0.225 146 S C 2.046 176.301 174.600 -0.576 0.000 1.030 146 S CA 1.020 58.847 58.200 -0.621 0.000 0.999 146 S CB -0.418 62.015 63.200 -1.280 0.000 0.844 146 S HN 0.440 nan 8.310 nan 0.000 0.459 147 A N 1.954 124.517 122.820 -0.429 0.000 1.865 147 A HA -0.164 4.158 4.320 0.005 0.000 0.217 147 A C 2.081 179.289 177.584 -0.627 0.000 1.191 147 A CA 1.793 53.556 52.037 -0.456 0.000 0.623 147 A CB -0.676 18.181 19.000 -0.238 0.000 0.826 147 A HN 0.448 nan 8.150 nan 0.000 0.444 148 R N -0.275 119.924 120.500 -0.502 0.000 2.096 148 R HA -0.144 4.199 4.340 0.005 0.000 0.240 148 R C 2.361 178.506 176.300 -0.258 0.000 1.139 148 R CA 2.044 57.928 56.100 -0.359 0.000 0.952 148 R CB -0.371 29.949 30.300 0.033 0.000 0.854 148 R HN 0.498 nan 8.270 nan 0.000 0.436 149 S N 0.174 115.739 115.700 -0.224 0.000 2.368 149 S HA -0.099 4.374 4.470 0.005 0.000 0.224 149 S C 1.934 176.397 174.600 -0.229 0.000 1.029 149 S CA 1.062 59.156 58.200 -0.177 0.000 0.988 149 S CB -0.148 62.956 63.200 -0.159 0.000 0.838 149 S HN 0.573 nan 8.310 nan 0.000 0.462 150 A N 0.764 123.393 122.820 -0.319 0.000 1.877 150 A HA -0.084 4.239 4.320 0.005 0.000 0.216 150 A C 1.895 179.262 177.584 -0.363 0.000 1.186 150 A CA 1.412 53.255 52.037 -0.322 0.000 0.620 150 A CB -1.007 17.773 19.000 -0.366 0.000 0.822 150 A HN 0.495 nan 8.150 nan 0.000 0.443 151 Y N -0.335 119.636 120.300 -0.548 0.000 2.165 151 Y HA -0.238 4.314 4.550 0.004 0.000 0.286 151 Y C 2.706 178.153 175.900 -0.754 0.000 1.155 151 Y CA 1.793 59.396 58.100 -0.828 0.000 1.164 151 Y CB -0.811 36.714 38.460 -1.559 0.000 0.978 151 Y HN 0.435 nan 8.280 nan 0.000 0.513 152 Q N 0.515 120.059 119.800 -0.427 0.000 2.079 152 Q HA -0.193 4.150 4.340 0.005 0.000 0.200 152 Q C 2.202 178.148 176.000 -0.090 0.000 0.974 152 Q CA 1.953 57.656 55.803 -0.167 0.000 0.840 152 Q CB -0.296 28.436 28.738 -0.010 0.000 0.898 152 Q HN 0.583 nan 8.270 nan 0.000 0.430 153 E N -0.953 119.186 120.200 -0.103 0.000 2.077 153 E HA -0.214 4.138 4.350 0.005 0.000 0.193 153 E C 1.740 178.311 176.600 -0.048 0.000 0.989 153 E CA 1.060 57.423 56.400 -0.060 0.000 0.800 153 E CB -0.229 29.433 29.700 -0.064 0.000 0.746 153 E HN 0.448 nan 8.360 nan 0.000 0.452 154 A N 0.843 123.618 122.820 -0.075 0.000 1.877 154 A HA -0.224 4.099 4.320 0.005 0.000 0.216 154 A C 2.125 179.698 177.584 -0.019 0.000 1.186 154 A CA 1.874 53.886 52.037 -0.042 0.000 0.620 154 A CB -0.593 18.377 19.000 -0.051 0.000 0.822 154 A HN 0.404 nan 8.150 nan 0.000 0.443 155 M N 0.236 119.819 119.600 -0.030 0.000 2.117 155 M HA -0.142 4.341 4.480 0.005 0.000 0.262 155 M C 1.177 177.501 176.300 0.042 0.000 1.065 155 M CA 2.161 57.480 55.300 0.030 0.000 1.114 155 M CB -0.635 32.015 32.600 0.083 0.000 1.361 155 M HN 0.377 nan 8.290 nan 0.000 0.408 156 D N -0.038 120.380 120.400 0.030 0.000 2.097 156 D HA -0.121 4.522 4.640 0.005 0.000 0.195 156 D C 2.098 178.414 176.300 0.026 0.000 0.989 156 D CA 1.751 55.770 54.000 0.033 0.000 0.827 156 D CB -0.404 40.411 40.800 0.025 0.000 0.966 156 D HN 0.460 nan 8.370 nan 0.000 0.456 157 I N 0.358 120.939 120.570 0.018 0.000 2.179 157 I HA -0.248 3.925 4.170 0.005 0.000 0.242 157 I C 2.533 178.663 176.117 0.022 0.000 1.088 157 I CA 0.853 62.164 61.300 0.019 0.000 1.357 157 I CB -0.267 37.744 38.000 0.017 0.000 1.051 157 I HN -0.068 nan 8.210 nan 0.000 0.409 158 S N 0.717 116.432 115.700 0.024 0.000 2.370 158 S HA -0.225 4.247 4.470 0.005 0.000 0.226 158 S C 2.047 176.664 174.600 0.028 0.000 1.033 158 S CA 1.624 59.840 58.200 0.027 0.000 1.011 158 S CB -0.127 63.093 63.200 0.032 0.000 0.852 158 S HN 0.325 nan 8.310 nan 0.000 0.457 159 K N 0.434 120.855 120.400 0.034 0.000 2.148 159 K HA -0.025 4.298 4.320 0.005 0.000 0.204 159 K C 2.316 178.932 176.600 0.027 0.000 1.050 159 K CA 1.032 57.339 56.287 0.034 0.000 0.942 159 K CB -0.096 32.430 32.500 0.043 0.000 0.724 159 K HN 0.315 nan 8.250 nan 0.000 0.446 160 K N 0.634 121.049 120.400 0.024 0.000 2.116 160 K HA -0.082 4.241 4.320 0.005 0.000 0.203 160 K C 1.244 177.855 176.600 0.017 0.000 1.052 160 K CA 1.068 57.367 56.287 0.020 0.000 0.952 160 K CB 0.443 32.955 32.500 0.019 0.000 0.729 160 K HN -0.029 nan 8.250 nan 0.000 0.446 161 E N -0.557 119.653 120.200 0.016 0.000 2.490 161 E HA 0.163 4.515 4.350 0.005 0.000 0.209 161 E C 0.011 176.617 176.600 0.011 0.000 0.971 161 E CA 0.263 56.670 56.400 0.013 0.000 0.988 161 E CB 0.804 30.512 29.700 0.014 0.000 1.029 161 E HN 0.263 nan 8.360 nan 0.000 0.496 162 M N 1.411 121.018 119.600 0.011 0.000 2.591 162 M HA 0.382 4.864 4.480 0.005 0.000 0.306 162 M C -2.519 173.784 176.300 0.005 0.000 1.190 162 M CA -2.126 53.178 55.300 0.007 0.000 0.889 162 M CB 2.655 35.261 32.600 0.011 0.000 1.728 162 M HN -0.274 nan 8.290 nan 0.000 0.458 163 P HA 0.188 nan 4.420 nan 0.000 0.274 163 P C -2.426 174.868 177.300 -0.010 0.000 1.237 163 P CA -1.134 61.961 63.100 -0.009 0.000 0.793 163 P CB -0.023 31.664 31.700 -0.022 0.000 0.977 164 P HA -0.083 nan 4.420 nan 0.000 0.226 164 P C 1.137 178.418 177.300 -0.032 0.000 1.153 164 P CA 1.497 64.589 63.100 -0.013 0.000 0.777 164 P CB -0.568 31.126 31.700 -0.010 0.000 0.794 165 T N -5.298 109.229 114.554 -0.044 0.000 3.107 165 T HA 0.021 4.374 4.350 0.005 0.000 0.249 165 T C 0.898 175.572 174.700 -0.042 0.000 1.096 165 T CA -0.417 61.646 62.100 -0.061 0.000 1.012 165 T CB -0.796 68.029 68.868 -0.073 0.000 0.977 165 T HN 0.009 nan 8.240 nan 0.000 0.527 166 N N 2.871 121.557 118.700 -0.024 0.000 2.411 166 N HA 0.023 4.766 4.740 0.005 0.000 0.261 166 N C -1.909 173.598 175.510 -0.005 0.000 1.248 166 N CA -1.068 51.975 53.050 -0.012 0.000 0.885 166 N CB 1.513 39.999 38.487 -0.002 0.000 1.062 166 N HN 0.008 nan 8.380 nan 0.000 0.471 167 P HA -0.056 nan 4.420 nan 0.000 0.218 167 P C 1.327 178.644 177.300 0.027 0.000 1.149 167 P CA 1.046 64.150 63.100 0.007 0.000 0.817 167 P CB 0.274 31.980 31.700 0.009 0.000 0.785 168 I N -0.757 119.836 120.570 0.038 0.000 2.179 168 I HA -0.231 3.942 4.170 0.005 0.000 0.242 168 I C 2.711 178.855 176.117 0.045 0.000 1.088 168 I CA 1.343 62.678 61.300 0.058 0.000 1.357 168 I CB -0.488 37.555 38.000 0.073 0.000 1.051 168 I HN -0.142 nan 8.210 nan 0.000 0.409 169 R N 1.485 122.005 120.500 0.033 0.000 2.091 169 R HA -0.172 4.170 4.340 0.005 0.000 0.238 169 R C 2.339 178.660 176.300 0.035 0.000 1.136 169 R CA 1.548 57.667 56.100 0.033 0.000 0.959 169 R CB -0.260 30.055 30.300 0.024 0.000 0.856 169 R HN 0.305 nan 8.270 nan 0.000 0.437 170 L N -0.450 120.787 121.223 0.024 0.000 2.046 170 L HA -0.079 4.264 4.340 0.005 0.000 0.208 170 L C 2.601 179.493 176.870 0.036 0.000 1.077 170 L CA 1.465 56.319 54.840 0.023 0.000 0.747 170 L CB -0.703 41.356 42.059 -0.001 0.000 0.896 170 L HN 0.476 nan 8.230 nan 0.000 0.432 171 G N -0.023 108.798 108.800 0.036 0.000 2.408 171 G HA2 -0.251 3.712 3.960 0.005 0.000 0.217 171 G HA3 -0.251 3.712 3.960 0.005 0.000 0.217 171 G C 1.574 176.499 174.900 0.043 0.000 1.150 171 G CA 0.644 45.769 45.100 0.042 0.000 0.776 171 G HN 0.224 nan 8.290 nan 0.000 0.542 172 L N 1.500 122.748 121.223 0.042 0.000 1.989 172 L HA 0.113 4.456 4.340 0.005 0.000 0.211 172 L C 2.988 179.879 176.870 0.034 0.000 1.071 172 L CA 2.406 57.267 54.840 0.035 0.000 0.749 172 L CB -0.839 41.243 42.059 0.037 0.000 0.890 172 L HN 0.207 nan 8.230 nan 0.000 0.431 173 A N -0.570 122.294 122.820 0.073 0.000 1.902 173 A HA -0.195 4.127 4.320 0.005 0.000 0.217 173 A C 2.267 179.917 177.584 0.110 0.000 1.181 173 A CA 1.885 53.993 52.037 0.119 0.000 0.623 173 A CB -1.101 17.966 19.000 0.111 0.000 0.818 173 A HN 0.536 nan 8.150 nan 0.000 0.443 174 L N 0.504 121.775 121.223 0.080 0.000 1.990 174 L HA -0.220 4.123 4.340 0.005 0.000 0.213 174 L C 1.821 178.743 176.870 0.086 0.000 1.072 174 L CA 2.611 57.500 54.840 0.082 0.000 0.755 174 L CB -0.792 41.298 42.059 0.052 0.000 0.889 174 L HN 0.361 nan 8.230 nan 0.000 0.432 175 N N -1.176 117.543 118.700 0.032 0.000 2.188 175 N HA -0.180 4.562 4.740 0.005 0.000 0.184 175 N C 1.675 177.079 175.510 -0.177 0.000 1.018 175 N CA 1.207 54.248 53.050 -0.015 0.000 0.858 175 N CB -0.535 37.955 38.487 0.006 0.000 0.989 175 N HN 0.372 nan 8.380 nan 0.000 0.426 176 F N 1.415 121.039 119.950 -0.543 0.000 2.186 176 F HA -0.026 4.503 4.527 0.004 0.000 0.299 176 F C 2.529 178.196 175.800 -0.222 0.000 1.090 176 F CA 0.730 58.303 58.000 -0.711 0.000 1.307 176 F CB -0.876 37.776 39.000 -0.579 0.000 1.019 176 F HN -0.016 nan 8.300 nan 0.000 0.489 177 S N -0.377 115.386 115.700 0.105 0.000 2.368 177 S HA -0.131 4.341 4.470 0.005 0.000 0.225 177 S C 2.235 176.979 174.600 0.240 0.000 1.030 177 S CA 1.543 59.872 58.200 0.215 0.000 0.999 177 S CB -0.691 62.706 63.200 0.328 0.000 0.844 177 S HN 0.151 nan 8.310 nan 0.000 0.459 178 V N 1.571 121.654 119.914 0.281 0.000 2.287 178 V HA -0.123 3.999 4.120 0.005 0.000 0.248 178 V C 2.030 178.233 176.094 0.181 0.000 1.053 178 V CA 2.175 64.650 62.300 0.291 0.000 1.027 178 V CB -1.052 30.930 31.823 0.265 0.000 0.646 178 V HN 0.668 nan 8.190 nan 0.000 0.447 179 F N 0.821 120.764 119.950 -0.012 0.000 2.065 179 F HA -0.284 4.245 4.527 0.004 0.000 0.298 179 F C 2.569 178.327 175.800 -0.070 0.000 1.112 179 F CA 2.314 60.297 58.000 -0.028 0.000 1.212 179 F CB -0.551 38.434 39.000 -0.025 0.000 0.975 179 F HN 0.255 nan 8.300 nan 0.000 0.476 180 H N -1.528 117.483 119.070 -0.099 0.000 2.319 180 H HA -0.209 4.349 4.556 0.004 0.000 0.299 180 H C 2.104 177.225 175.328 -0.345 0.000 1.092 180 H CA 2.172 58.044 56.048 -0.293 0.000 1.302 180 H CB -1.192 28.427 29.762 -0.238 0.000 1.373 180 H HN 0.477 nan 8.280 nan 0.000 0.497 181 Y N 1.417 121.530 120.300 -0.313 0.000 2.184 181 Y HA -0.117 4.437 4.550 0.006 0.000 0.290 181 Y C 2.274 177.986 175.900 -0.314 0.000 1.129 181 Y CA 1.498 59.309 58.100 -0.481 0.000 1.144 181 Y CB 0.275 38.183 38.460 -0.920 0.000 0.995 181 Y HN 0.168 nan 8.280 nan 0.000 0.513 182 E N -1.087 119.083 120.200 -0.051 0.000 2.276 182 E HA -0.018 4.335 4.350 0.005 0.000 0.193 182 E C 1.545 178.069 176.600 -0.126 0.000 0.983 182 E CA 0.566 56.955 56.400 -0.019 0.000 0.861 182 E CB 0.411 30.180 29.700 0.115 0.000 0.817 182 E HN 0.398 nan 8.360 nan 0.000 0.485 183 I N 0.005 120.420 120.570 -0.258 0.000 3.136 183 I HA 0.103 4.276 4.170 0.005 0.000 0.262 183 I C 2.026 177.901 176.117 -0.402 0.000 1.132 183 I CA 0.566 61.676 61.300 -0.317 0.000 1.450 183 I CB -0.784 36.991 38.000 -0.375 0.000 1.315 183 I HN -0.100 nan 8.210 nan 0.000 0.460 184 A N 0.717 123.178 122.820 -0.599 0.000 2.251 184 A HA 0.013 4.335 4.320 0.005 0.000 0.209 184 A C 0.950 178.378 177.584 -0.261 0.000 1.187 184 A CA 0.506 52.286 52.037 -0.427 0.000 0.823 184 A CB -0.744 17.965 19.000 -0.485 0.000 0.846 184 A HN 0.567 nan 8.150 nan 0.000 0.486 185 N N -0.621 117.910 118.700 -0.281 0.000 2.740 185 N HA -0.158 4.585 4.740 0.005 0.000 0.248 185 N C -0.630 174.732 175.510 -0.246 0.000 1.062 185 N CA 1.022 53.917 53.050 -0.259 0.000 0.704 185 N CB -1.606 36.771 38.487 -0.184 0.000 0.968 185 N HN 0.189 nan 8.380 nan 0.000 0.547 186 S N -0.240 115.297 115.700 -0.272 0.000 2.139 186 S HA 0.272 4.745 4.470 0.005 0.000 0.183 186 S C -1.572 172.859 174.600 -0.282 0.000 1.473 186 S CA -0.592 57.466 58.200 -0.236 0.000 1.263 186 S CB 1.487 64.575 63.200 -0.186 0.000 1.170 186 S HN 0.292 nan 8.310 nan 0.000 0.430 187 P HA -0.130 nan 4.420 nan 0.000 0.217 187 P C 1.016 178.212 177.300 -0.174 0.000 1.150 187 P CA 1.154 64.056 63.100 -0.331 0.000 0.832 187 P CB 0.330 31.783 31.700 -0.411 0.000 0.787 188 E N -0.039 120.070 120.200 -0.152 0.000 2.077 188 E HA -0.208 4.145 4.350 0.005 0.000 0.193 188 E C 2.142 178.660 176.600 -0.138 0.000 0.989 188 E CA 0.991 57.327 56.400 -0.106 0.000 0.800 188 E CB -0.275 29.369 29.700 -0.094 0.000 0.746 188 E HN 0.219 nan 8.360 nan 0.000 0.452 189 E N 0.987 121.049 120.200 -0.230 0.000 2.077 189 E HA -0.154 4.199 4.350 0.005 0.000 0.193 189 E C 1.839 178.265 176.600 -0.290 0.000 0.989 189 E CA 1.291 57.478 56.400 -0.355 0.000 0.800 189 E CB -0.183 29.118 29.700 -0.665 0.000 0.746 189 E HN 0.240 nan 8.360 nan 0.000 0.452 190 A N 0.460 123.155 122.820 -0.208 0.000 1.883 190 A HA -0.169 4.154 4.320 0.005 0.000 0.217 190 A C 2.347 179.990 177.584 0.098 0.000 1.186 190 A CA 1.684 53.677 52.037 -0.074 0.000 0.624 190 A CB -0.767 18.020 19.000 -0.356 0.000 0.822 190 A HN 0.349 nan 8.150 nan 0.000 0.444 191 I N -0.922 119.697 120.570 0.082 0.000 2.226 191 I HA -0.210 3.963 4.170 0.005 0.000 0.245 191 I C 2.842 179.029 176.117 0.116 0.000 1.100 191 I CA 1.465 62.890 61.300 0.208 0.000 1.374 191 I CB -0.268 37.828 38.000 0.159 0.000 1.057 191 I HN 0.394 nan 8.210 nan 0.000 0.413 192 S N 0.879 116.599 115.700 0.034 0.000 2.359 192 S HA -0.204 4.269 4.470 0.005 0.000 0.224 192 S C 2.017 176.640 174.600 0.038 0.000 1.035 192 S CA 1.552 59.762 58.200 0.016 0.000 1.018 192 S CB -0.352 62.830 63.200 -0.031 0.000 0.876 192 S HN 0.327 nan 8.310 nan 0.000 0.448 193 L N 1.825 123.066 121.223 0.031 0.000 2.017 193 L HA 0.102 4.445 4.340 0.005 0.000 0.208 193 L C 2.483 179.422 176.870 0.115 0.000 1.073 193 L CA 2.227 57.106 54.840 0.064 0.000 0.745 193 L CB -1.316 40.775 42.059 0.054 0.000 0.894 193 L HN 0.315 nan 8.230 nan 0.000 0.432 194 A N -0.538 122.379 122.820 0.161 0.000 1.902 194 A HA -0.273 4.050 4.320 0.005 0.000 0.217 194 A C 2.476 180.141 177.584 0.134 0.000 1.181 194 A CA 2.069 54.202 52.037 0.159 0.000 0.623 194 A CB -0.665 18.448 19.000 0.188 0.000 0.818 194 A HN 0.529 nan 8.150 nan 0.000 0.443 195 K N -1.157 119.306 120.400 0.105 0.000 2.026 195 K HA -0.158 4.165 4.320 0.005 0.000 0.208 195 K C 2.238 178.917 176.600 0.131 0.000 1.048 195 K CA 1.887 58.228 56.287 0.090 0.000 0.929 195 K CB -0.417 32.114 32.500 0.051 0.000 0.713 195 K HN 0.436 nan 8.250 nan 0.000 0.439 196 T N -0.217 114.398 114.554 0.101 0.000 2.788 196 T HA -0.100 4.253 4.350 0.005 0.000 0.268 196 T C 1.668 176.430 174.700 0.104 0.000 1.044 196 T CA 2.120 64.275 62.100 0.092 0.000 1.139 196 T CB -0.369 68.538 68.868 0.066 0.000 0.867 196 T HN 0.358 nan 8.240 nan 0.000 0.454 197 T N 1.300 115.923 114.554 0.114 0.000 2.708 197 T HA -0.046 4.307 4.350 0.005 0.000 0.266 197 T C 1.389 176.150 174.700 0.101 0.000 1.037 197 T CA 1.535 63.694 62.100 0.099 0.000 1.146 197 T CB -0.657 68.275 68.868 0.106 0.000 0.865 197 T HN 0.474 nan 8.240 nan 0.000 0.435 198 F N 2.411 122.366 119.950 0.009 0.000 2.095 198 F HA -0.171 4.358 4.527 0.003 0.000 0.298 198 F C 1.955 177.756 175.800 0.000 0.000 1.104 198 F CA 1.574 59.571 58.000 -0.005 0.000 1.232 198 F CB -0.349 38.642 39.000 -0.014 0.000 0.987 198 F HN 0.059 nan 8.300 nan 0.000 0.475 199 D N -0.045 120.502 120.400 0.244 0.000 2.144 199 D HA -0.181 4.462 4.640 0.005 0.000 0.200 199 D C 2.164 178.484 176.300 0.034 0.000 0.978 199 D CA 1.413 55.504 54.000 0.151 0.000 0.833 199 D CB -0.451 40.443 40.800 0.158 0.000 0.961 199 D HN 0.506 nan 8.370 nan 0.000 0.470 200 E N 0.209 120.426 120.200 0.028 0.000 2.106 200 E HA -0.099 4.254 4.350 0.005 0.000 0.192 200 E C 1.952 178.532 176.600 -0.032 0.000 0.984 200 E CA 0.820 57.226 56.400 0.010 0.000 0.806 200 E CB 0.089 29.803 29.700 0.023 0.000 0.750 200 E HN 0.171 nan 8.360 nan 0.000 0.458 201 A N 1.057 123.824 122.820 -0.087 0.000 1.873 201 A HA -0.190 4.133 4.320 0.005 0.000 0.215 201 A C 2.184 179.664 177.584 -0.174 0.000 1.186 201 A CA 1.533 53.484 52.037 -0.143 0.000 0.616 201 A CB -0.589 18.287 19.000 -0.206 0.000 0.823 201 A HN 0.436 nan 8.150 nan 0.000 0.442 202 M N -0.023 119.428 119.600 -0.248 0.000 2.106 202 M HA -0.183 4.300 4.480 0.005 0.000 0.259 202 M C 2.090 178.373 176.300 -0.029 0.000 1.068 202 M CA 1.972 57.156 55.300 -0.193 0.000 1.100 202 M CB -0.216 32.258 32.600 -0.210 0.000 1.351 202 M HN 0.380 nan 8.290 nan 0.000 0.404 203 A N -0.941 121.883 122.820 0.007 0.000 2.121 203 A HA -0.177 4.146 4.320 0.005 0.000 0.218 203 A C 1.600 179.278 177.584 0.157 0.000 1.154 203 A CA 2.005 54.091 52.037 0.081 0.000 0.679 203 A CB -0.695 18.342 19.000 0.061 0.000 0.795 203 A HN 0.690 nan 8.150 nan 0.000 0.458 204 D N -1.254 119.182 120.400 0.060 0.000 2.369 204 D HA 0.164 4.807 4.640 0.005 0.000 0.211 204 D C 1.523 177.766 176.300 -0.094 0.000 1.077 204 D CA -0.044 53.938 54.000 -0.030 0.000 0.842 204 D CB -0.100 40.667 40.800 -0.054 0.000 0.947 204 D HN 0.358 nan 8.370 nan 0.000 0.509 205 L N 0.600 121.831 121.223 0.014 0.000 2.191 205 L HA -0.164 4.179 4.340 0.005 0.000 0.212 205 L C 2.338 179.277 176.870 0.116 0.000 1.103 205 L CA 1.171 56.062 54.840 0.085 0.000 0.769 205 L CB -0.754 41.406 42.059 0.168 0.000 0.908 205 L HN 0.418 nan 8.230 nan 0.000 0.438 206 H N -0.980 118.138 119.070 0.081 0.000 2.518 206 H HA -0.119 4.440 4.556 0.004 0.000 0.289 206 H C 1.922 177.269 175.328 0.032 0.000 1.051 206 H CA 1.636 57.712 56.048 0.046 0.000 1.280 206 H CB -0.653 29.124 29.762 0.025 0.000 1.380 206 H HN 0.426 nan 8.280 nan 0.000 0.566 207 T N -0.916 113.356 114.554 -0.470 0.000 3.088 207 T HA 0.188 4.540 4.350 0.005 0.000 0.259 207 T C 1.019 175.653 174.700 -0.109 0.000 1.122 207 T CA -0.181 61.732 62.100 -0.312 0.000 1.095 207 T CB -0.193 68.460 68.868 -0.358 0.000 0.930 207 T HN 0.159 nan 8.240 nan 0.000 0.508 208 L N 2.631 123.828 121.223 -0.043 0.000 2.343 208 L HA 0.502 4.844 4.340 0.005 0.000 0.275 208 L C 0.881 177.765 176.870 0.023 0.000 1.056 208 L CA -1.123 53.725 54.840 0.014 0.000 0.804 208 L CB 1.513 43.620 42.059 0.080 0.000 1.203 208 L HN 0.247 nan 8.230 nan 0.000 0.440 209 S N 0.018 115.730 115.700 0.020 0.000 2.596 209 S HA -0.018 4.455 4.470 0.005 0.000 0.260 209 S C 0.938 175.560 174.600 0.037 0.000 1.336 209 S CA -0.222 57.986 58.200 0.014 0.000 0.993 209 S CB 0.962 64.169 63.200 0.012 0.000 0.923 209 S HN 0.808 nan 8.310 nan 0.000 0.567 210 E N 0.533 120.738 120.200 0.009 0.000 2.085 210 E HA -0.244 4.108 4.350 0.005 0.000 0.194 210 E C 0.938 177.587 176.600 0.081 0.000 0.994 210 E CA 1.769 58.180 56.400 0.019 0.000 0.801 210 E CB -0.264 29.432 29.700 -0.008 0.000 0.743 210 E HN 0.742 nan 8.360 nan 0.000 0.453 211 D N -0.173 120.259 120.400 0.053 0.000 2.117 211 D HA -0.073 4.569 4.640 0.005 0.000 0.198 211 D C 2.128 178.464 176.300 0.061 0.000 0.982 211 D CA 0.980 55.011 54.000 0.052 0.000 0.828 211 D CB -0.295 40.523 40.800 0.030 0.000 0.967 211 D HN 0.052 nan 8.370 nan 0.000 0.464 212 S N -0.149 115.587 115.700 0.059 0.000 2.383 212 S HA -0.164 4.308 4.470 0.005 0.000 0.227 212 S C 1.819 176.461 174.600 0.069 0.000 1.026 212 S CA 0.445 58.673 58.200 0.047 0.000 0.981 212 S CB -0.369 62.850 63.200 0.032 0.000 0.818 212 S HN 0.342 nan 8.310 nan 0.000 0.472 213 Y N 2.365 122.651 120.300 -0.025 0.000 2.165 213 Y HA -0.204 4.348 4.550 0.004 0.000 0.286 213 Y C 2.354 178.242 175.900 -0.021 0.000 1.155 213 Y CA 1.946 60.030 58.100 -0.027 0.000 1.164 213 Y CB -0.207 38.240 38.460 -0.021 0.000 0.978 213 Y HN 0.082 nan 8.280 nan 0.000 0.513 214 K N 0.020 120.503 120.400 0.139 0.000 2.032 214 K HA -0.227 4.096 4.320 0.005 0.000 0.209 214 K C 1.679 178.268 176.600 -0.019 0.000 1.048 214 K CA 2.063 58.384 56.287 0.056 0.000 0.927 214 K CB -0.252 32.293 32.500 0.076 0.000 0.712 214 K HN 0.345 nan 8.250 nan 0.000 0.441 215 D N -0.103 120.292 120.400 -0.008 0.000 2.104 215 D HA -0.120 4.523 4.640 0.005 0.000 0.194 215 D C 2.040 178.308 176.300 -0.054 0.000 0.994 215 D CA 1.323 55.312 54.000 -0.019 0.000 0.830 215 D CB -0.301 40.496 40.800 -0.004 0.000 0.959 215 D HN 0.131 nan 8.370 nan 0.000 0.452 216 S N -0.037 115.608 115.700 -0.091 0.000 2.355 216 S HA -0.125 4.348 4.470 0.005 0.000 0.222 216 S C 2.203 176.697 174.600 -0.177 0.000 1.031 216 S CA 1.757 59.880 58.200 -0.129 0.000 0.993 216 S CB -0.466 62.644 63.200 -0.151 0.000 0.859 216 S HN 0.524 nan 8.310 nan 0.000 0.453 217 T N 1.189 115.585 114.554 -0.263 0.000 2.915 217 T HA 0.048 4.401 4.350 0.005 0.000 0.269 217 T C 1.757 176.381 174.700 -0.126 0.000 1.071 217 T CA 0.810 62.749 62.100 -0.268 0.000 1.132 217 T CB -0.597 68.028 68.868 -0.404 0.000 0.878 217 T HN 0.295 nan 8.240 nan 0.000 0.479 218 L N 0.311 121.483 121.223 -0.085 0.000 2.012 218 L HA 0.023 4.366 4.340 0.005 0.000 0.210 218 L C 2.484 179.337 176.870 -0.028 0.000 1.073 218 L CA 1.641 56.458 54.840 -0.039 0.000 0.748 218 L CB -0.304 41.742 42.059 -0.022 0.000 0.891 218 L HN 0.275 nan 8.230 nan 0.000 0.431 219 I N -0.823 119.727 120.570 -0.033 0.000 2.353 219 I HA -0.284 3.888 4.170 0.005 0.000 0.248 219 I C 2.522 178.638 176.117 -0.001 0.000 1.119 219 I CA 1.065 62.356 61.300 -0.014 0.000 1.417 219 I CB -0.251 37.743 38.000 -0.010 0.000 1.078 219 I HN 0.293 nan 8.210 nan 0.000 0.421 220 M N 0.166 119.750 119.600 -0.027 0.000 2.108 220 M HA -0.276 4.207 4.480 0.005 0.000 0.261 220 M C 2.406 178.812 176.300 0.175 0.000 1.066 220 M CA 1.837 57.159 55.300 0.037 0.000 1.107 220 M CB -0.436 32.051 32.600 -0.188 0.000 1.356 220 M HN 0.166 nan 8.290 nan 0.000 0.406 221 Q N 0.808 120.658 119.800 0.084 0.000 2.170 221 Q HA -0.142 4.200 4.340 0.005 0.000 0.203 221 Q C 1.627 177.627 176.000 -0.000 0.000 0.976 221 Q CA 1.656 57.496 55.803 0.062 0.000 0.858 221 Q CB -0.218 28.530 28.738 0.018 0.000 0.907 221 Q HN 0.399 nan 8.270 nan 0.000 0.433 222 L N -0.496 120.720 121.223 -0.013 0.000 2.093 222 L HA -0.107 4.236 4.340 0.005 0.000 0.208 222 L C 2.141 178.949 176.870 -0.104 0.000 1.085 222 L CA 1.246 56.050 54.840 -0.060 0.000 0.755 222 L CB -0.799 41.236 42.059 -0.041 0.000 0.904 222 L HN 0.239 nan 8.230 nan 0.000 0.435 223 L N -0.926 120.277 121.223 -0.034 0.000 2.012 223 L HA -0.243 4.100 4.340 0.005 0.000 0.210 223 L C 2.798 179.564 176.870 -0.174 0.000 1.073 223 L CA 1.173 55.976 54.840 -0.061 0.000 0.748 223 L CB -0.469 41.658 42.059 0.113 0.000 0.891 223 L HN 0.226 nan 8.230 nan 0.000 0.431 224 R N 0.533 120.948 120.500 -0.142 0.000 2.081 224 R HA -0.170 4.172 4.340 0.005 0.000 0.235 224 R C 1.795 177.935 176.300 -0.268 0.000 1.131 224 R CA 1.751 57.685 56.100 -0.276 0.000 0.960 224 R CB -0.578 29.580 30.300 -0.237 0.000 0.856 224 R HN 0.290 nan 8.270 nan 0.000 0.436 225 D N -0.007 120.256 120.400 -0.228 0.000 2.117 225 D HA -0.128 4.515 4.640 0.005 0.000 0.197 225 D C 1.367 177.420 176.300 -0.411 0.000 0.987 225 D CA 1.118 54.968 54.000 -0.251 0.000 0.829 225 D CB -0.342 40.345 40.800 -0.189 0.000 0.961 225 D HN 0.252 nan 8.370 nan 0.000 0.460 226 N N 0.396 118.741 118.700 -0.591 0.000 2.142 226 N HA -0.061 4.682 4.740 0.005 0.000 0.186 226 N C 2.109 176.888 175.510 -1.218 0.000 1.023 226 N CA 0.321 52.662 53.050 -1.181 0.000 0.852 226 N CB -0.407 37.141 38.487 -1.565 0.000 0.998 226 N HN 0.229 nan 8.380 nan 0.000 0.424 227 L N 0.625 121.439 121.223 -0.681 0.000 2.042 227 L HA -0.175 4.167 4.340 0.005 0.000 0.210 227 L C 2.164 178.888 176.870 -0.244 0.000 1.076 227 L CA 1.183 55.821 54.840 -0.335 0.000 0.749 227 L CB -0.768 41.155 42.059 -0.227 0.000 0.893 227 L HN 0.165 nan 8.230 nan 0.000 0.432 228 T N 0.005 114.398 114.554 -0.268 0.000 2.746 228 T HA -0.155 4.197 4.350 0.005 0.000 0.267 228 T C 1.955 176.564 174.700 -0.152 0.000 1.039 228 T CA 1.116 63.111 62.100 -0.176 0.000 1.142 228 T CB -0.177 68.592 68.868 -0.164 0.000 0.866 228 T HN 0.196 nan 8.240 nan 0.000 0.444 229 L N -0.793 120.277 121.223 -0.256 0.000 2.046 229 L HA -0.076 4.267 4.340 0.005 0.000 0.208 229 L C 2.387 179.265 176.870 0.013 0.000 1.077 229 L CA 1.277 56.016 54.840 -0.170 0.000 0.747 229 L CB -0.382 41.497 42.059 -0.300 0.000 0.896 229 L HN 0.413 nan 8.230 nan 0.000 0.432 230 W N 0.003 121.210 121.300 -0.155 0.000 3.003 230 W HA 0.069 4.734 4.660 0.008 0.000 0.257 230 W C 1.461 177.974 176.519 -0.009 0.000 1.308 230 W CA 0.300 57.573 57.345 -0.120 0.000 1.529 230 W CB -0.992 28.332 29.460 -0.226 0.000 1.115 230 W HN 0.153 nan 8.180 nan 0.000 0.659 256 E N 1.114 121.337 120.200 0.038 0.000 2.422 256 E HA 0.198 4.551 4.350 0.005 0.000 0.260 256 E C -0.041 176.596 176.600 0.061 0.000 1.108 256 E CA 0.023 56.459 56.400 0.060 0.000 0.943 256 E CB 0.662 30.400 29.700 0.062 0.000 0.961 256 E HN 0.198 nan 8.360 nan 0.000 0.443 257 L N 1.931 123.210 121.223 0.094 0.000 2.307 257 L HA 0.193 4.536 4.340 0.005 0.000 0.282 257 L C 0.800 177.675 176.870 0.008 0.000 1.051 257 L CA -0.657 54.221 54.840 0.062 0.000 0.804 257 L CB 1.374 43.494 42.059 0.102 0.000 1.197 257 L HN 0.618 nan 8.230 nan 0.000 0.431 261 E N 1.221 121.392 120.200 -0.049 0.000 2.106 261 E HA -0.017 4.336 4.350 0.005 0.000 0.192 261 E C 0.780 177.361 176.600 -0.032 0.000 0.984 261 E CA 0.611 57.000 56.400 -0.018 0.000 0.806 261 E CB 0.091 29.791 29.700 -0.000 0.000 0.750 261 E HN 0.114 nan 8.360 nan 0.000 0.458 262 R N 0.000 120.402 120.500 -0.163 0.000 2.786 262 R HA 0.000 4.343 4.340 0.005 0.000 0.208 262 R CA 0.000 55.882 56.100 -0.363 0.000 0.921 262 R CB 0.000 29.633 30.300 -1.111 0.000 0.687 262 R HN 0.000 nan 8.270 nan 0.000 0.535