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 1mlz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMXGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 T N -1.644 112.908 114.554 -0.004 0.000 2.791 2 T HA 0.086 4.436 4.350 0.000 0.000 0.323 2 T C 1.402 176.107 174.700 0.009 0.000 1.082 2 T CA 0.599 62.699 62.100 0.000 0.000 1.084 2 T CB 0.669 69.536 68.868 -0.001 0.000 0.992 2 T HN 0.806 nan 8.240 nan 0.000 0.547 3 T N -1.750 112.809 114.554 0.009 0.000 2.867 3 T HA -0.141 4.209 4.350 0.000 0.000 0.268 3 T C 1.546 176.263 174.700 0.029 0.000 1.057 3 T CA 1.492 63.599 62.100 0.012 0.000 1.136 3 T CB -0.666 68.207 68.868 0.007 0.000 0.874 3 T HN 0.762 nan 8.240 nan 0.000 0.466 4 D N 1.397 121.818 120.400 0.035 0.000 2.219 4 D HA -0.086 4.554 4.640 0.000 0.000 0.205 4 D C 1.735 178.092 176.300 0.096 0.000 0.970 4 D CA 0.766 54.803 54.000 0.061 0.000 0.851 4 D CB -0.341 40.487 40.800 0.046 0.000 0.943 4 D HN 0.267 nan 8.370 nan 0.000 0.488 5 D N -0.261 120.178 120.400 0.064 0.000 2.097 5 D HA -0.102 4.538 4.640 0.000 0.000 0.195 5 D C 2.198 178.576 176.300 0.131 0.000 0.989 5 D CA 0.651 54.699 54.000 0.079 0.000 0.827 5 D CB -0.193 40.625 40.800 0.030 0.000 0.966 5 D HN 0.319 nan 8.370 nan 0.000 0.456 6 L N 0.556 121.826 121.223 0.079 0.000 2.141 6 L HA -0.085 4.255 4.340 0.000 0.000 0.209 6 L C 2.528 179.441 176.870 0.071 0.000 1.094 6 L CA 0.854 55.729 54.840 0.059 0.000 0.763 6 L CB -0.423 41.640 42.059 0.008 0.000 0.908 6 L HN -0.039 nan 8.230 nan 0.000 0.437 7 A N 0.188 123.058 122.820 0.084 0.000 1.877 7 A HA -0.271 4.049 4.320 0.000 0.000 0.216 7 A C 2.188 179.846 177.584 0.122 0.000 1.186 7 A CA 1.540 53.623 52.037 0.077 0.000 0.620 7 A CB -0.845 18.204 19.000 0.082 0.000 0.822 7 A HN 0.383 nan 8.150 nan 0.000 0.443 8 F N 1.038 121.040 119.950 0.088 0.000 2.134 8 F HA -0.204 4.323 4.527 0.000 0.000 0.299 8 F C 1.921 177.822 175.800 0.168 0.000 1.097 8 F CA 2.198 60.307 58.000 0.182 0.000 1.264 8 F CB -0.374 38.701 39.000 0.125 0.000 1.001 8 F HN 0.447 nan 8.300 nan 0.000 0.479 9 D N -0.488 120.064 120.400 0.253 0.000 2.092 9 D HA -0.304 4.337 4.640 0.000 0.000 0.193 9 D C 2.262 178.595 176.300 0.054 0.000 0.994 9 D CA 1.819 55.932 54.000 0.189 0.000 0.828 9 D CB -0.421 40.501 40.800 0.203 0.000 0.963 9 D HN 0.495 nan 8.370 nan 0.000 0.450 10 Q N -0.425 119.376 119.800 0.003 0.000 2.096 10 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 10 Q C 2.194 178.117 176.000 -0.127 0.000 0.982 10 Q CA 1.246 57.018 55.803 -0.052 0.000 0.850 10 Q CB 0.079 28.781 28.738 -0.060 0.000 0.901 10 Q HN 0.240 nan 8.270 nan 0.000 0.422 11 R N -1.538 118.816 120.500 -0.244 0.000 2.210 11 R HA 0.015 4.356 4.340 0.000 0.000 0.203 11 R C 1.255 177.136 176.300 -0.699 0.000 1.010 11 R CA 0.662 56.482 56.100 -0.467 0.000 1.008 11 R CB 0.354 30.302 30.300 -0.588 0.000 0.923 11 R HN 0.436 nan 8.270 nan 0.000 0.469 12 H N -1.231 117.599 119.070 -0.399 0.000 3.255 12 H HA 0.291 4.847 4.556 0.000 0.000 0.256 12 H C 0.216 175.399 175.328 -0.242 0.000 1.049 12 H CA 0.086 55.854 56.048 -0.466 0.000 1.202 12 H CB 1.266 30.334 29.762 -1.157 0.000 1.497 12 H HN -0.040 nan 8.280 nan 0.000 0.503 13 I N 2.376 122.923 120.570 -0.039 0.000 2.355 13 I HA 0.135 4.305 4.170 0.000 0.000 0.288 13 I C -0.568 175.580 176.117 0.051 0.000 0.999 13 I CA -0.828 60.487 61.300 0.026 0.000 1.163 13 I CB 1.952 39.999 38.000 0.078 0.000 1.316 13 I HN -0.216 nan 8.210 nan 0.000 0.454 14 L N 6.943 128.157 121.223 -0.014 0.000 2.367 14 L HA 0.255 4.595 4.340 0.000 0.000 0.275 14 L C 0.364 177.198 176.870 -0.061 0.000 1.129 14 L CA 0.390 55.234 54.840 0.006 0.000 0.839 14 L CB 0.004 42.051 42.059 -0.020 0.000 1.133 14 L HN 0.478 nan 8.230 nan 0.000 0.453 15 H N 2.839 121.924 119.070 0.025 0.000 2.651 15 H HA 0.425 4.981 4.556 0.000 0.000 0.353 15 H C -2.095 173.273 175.328 0.068 0.000 1.178 15 H CA -1.827 54.258 56.048 0.062 0.000 1.224 15 H CB 1.652 31.461 29.762 0.078 0.000 1.702 15 H HN 0.366 nan 8.280 nan 0.000 0.550 16 P HA -0.013 nan 4.420 nan 0.000 0.267 16 P C -0.655 176.791 177.300 0.243 0.000 1.205 16 P CA 0.082 63.295 63.100 0.189 0.000 0.765 16 P CB -0.060 31.852 31.700 0.352 0.000 0.828 17 Y N -0.966 119.381 120.300 0.078 0.000 3.054 17 Y HA -0.235 4.315 4.550 0.001 0.000 0.210 17 Y C 0.749 176.703 175.900 0.089 0.000 1.212 17 Y CA 1.504 59.642 58.100 0.062 0.000 1.118 17 Y CB -2.119 36.349 38.460 0.013 0.000 1.292 17 Y HN 0.410 nan 8.280 nan 0.000 0.533 18 T N -1.082 113.565 114.554 0.155 0.000 2.923 18 T HA 0.535 4.885 4.350 0.000 0.000 0.311 18 T C -0.471 174.282 174.700 0.088 0.000 1.183 18 T CA -0.121 62.062 62.100 0.139 0.000 1.020 18 T CB 1.573 70.535 68.868 0.157 0.000 1.165 18 T HN 0.230 nan 8.240 nan 0.000 0.482 19 S N 3.273 119.015 115.700 0.070 0.000 2.576 19 S HA 0.252 4.722 4.470 0.000 0.000 0.276 19 S C 1.376 175.991 174.600 0.026 0.000 1.339 19 S CA -0.578 57.648 58.200 0.042 0.000 1.039 19 S CB 0.310 63.531 63.200 0.035 0.000 0.902 19 S HN 0.679 nan 8.310 nan 0.000 0.516 20 M N 3.462 123.067 119.600 0.009 0.000 2.556 20 M HA 0.041 4.521 4.480 0.000 0.000 0.245 20 M C 1.811 178.094 176.300 -0.028 0.000 1.128 20 M CA 0.757 56.049 55.300 -0.013 0.000 1.069 20 M CB -1.242 31.344 32.600 -0.023 0.000 1.469 20 M HN 0.930 nan 8.290 nan 0.000 0.494 21 T N -4.158 110.387 114.554 -0.016 0.000 3.042 21 T HA 0.142 4.492 4.350 0.000 0.000 0.245 21 T C 1.316 176.007 174.700 -0.016 0.000 1.029 21 T CA 0.276 62.364 62.100 -0.020 0.000 1.120 21 T CB 0.017 68.878 68.868 -0.012 0.000 0.917 21 T HN 0.115 nan 8.240 nan 0.000 0.467 22 S N 2.775 118.472 115.700 -0.005 0.000 2.624 22 S HA 0.353 4.823 4.470 0.000 0.000 0.246 22 S C -2.480 172.120 174.600 -0.000 0.000 1.072 22 S CA -0.995 57.205 58.200 -0.001 0.000 1.045 22 S CB 0.124 63.330 63.200 0.010 0.000 0.851 22 S HN 0.521 nan 8.310 nan 0.000 0.480 23 P HA -0.002 nan 4.420 nan 0.000 0.268 23 P C -0.650 176.640 177.300 -0.016 0.000 1.189 23 P CA 0.249 63.342 63.100 -0.012 0.000 0.771 23 P CB 0.586 32.267 31.700 -0.031 0.000 0.822 24 L N 2.533 123.748 121.223 -0.014 0.000 2.333 24 L HA 0.483 4.823 4.340 0.000 0.000 0.269 24 L C -1.979 174.859 176.870 -0.053 0.000 1.010 24 L CA -2.643 52.189 54.840 -0.014 0.000 0.818 24 L CB 0.743 42.817 42.059 0.026 0.000 1.306 24 L HN 0.223 nan 8.230 nan 0.000 0.430 25 P HA 0.025 nan 4.420 nan 0.000 0.263 25 P C -0.785 176.383 177.300 -0.220 0.000 1.175 25 P CA -0.099 62.885 63.100 -0.193 0.000 0.761 25 P CB 0.347 31.905 31.700 -0.238 0.000 0.794 26 V N 1.269 120.999 119.914 -0.306 0.000 2.769 26 V HA 0.579 4.700 4.120 0.000 0.000 0.312 26 V C -1.089 174.785 176.094 -0.367 0.000 1.058 26 V CA -0.957 61.217 62.300 -0.211 0.000 0.952 26 V CB 1.586 33.262 31.823 -0.245 0.000 1.019 26 V HN 0.279 nan 8.190 nan 0.000 0.445 27 Y N 2.840 123.115 120.300 -0.043 0.000 2.352 27 Y HA 0.676 5.226 4.550 0.000 0.000 0.339 27 Y C -2.123 173.696 175.900 -0.135 0.000 0.992 27 Y CA -2.509 55.543 58.100 -0.079 0.000 1.100 27 Y CB 1.644 40.057 38.460 -0.078 0.000 1.192 27 Y HN 0.550 nan 8.280 nan 0.000 0.458 28 P HA 0.192 nan 4.420 nan 0.000 0.286 28 P C -0.856 176.405 177.300 -0.065 0.000 1.321 28 P CA -0.125 62.956 63.100 -0.032 0.000 0.790 28 P CB 1.037 32.723 31.700 -0.023 0.000 0.897 29 V N 4.681 124.528 119.914 -0.111 0.000 2.439 29 V HA 0.097 4.217 4.120 0.000 0.000 0.282 29 V C 1.687 177.713 176.094 -0.113 0.000 1.039 29 V CA -0.247 61.959 62.300 -0.156 0.000 0.913 29 V CB 1.599 33.273 31.823 -0.249 0.000 0.983 29 V HN 0.471 nan 8.190 nan 0.000 0.460 30 V N 1.660 121.512 119.914 -0.103 0.000 3.085 30 V HA 0.357 4.478 4.120 0.000 0.000 0.245 30 V C 0.669 176.714 176.094 -0.081 0.000 1.114 30 V CA 1.047 63.301 62.300 -0.077 0.000 1.108 30 V CB 0.274 32.061 31.823 -0.059 0.000 0.798 30 V HN 0.888 nan 8.190 nan 0.000 0.471 31 S N -0.915 114.722 115.700 -0.105 0.000 2.703 31 S HA 0.895 5.366 4.470 0.000 0.000 0.273 31 S C -0.809 173.700 174.600 -0.151 0.000 1.178 31 S CA -0.185 57.956 58.200 -0.099 0.000 0.838 31 S CB 1.429 64.591 63.200 -0.065 0.000 1.178 31 S HN 1.869 nan 8.310 nan 0.000 0.494 32 A N 0.438 123.183 122.820 -0.125 0.000 2.589 32 A HA 0.829 5.150 4.320 0.000 0.000 0.296 32 A C -1.393 176.173 177.584 -0.031 0.000 1.062 32 A CA -0.450 51.478 52.037 -0.182 0.000 0.686 32 A CB 1.428 20.177 19.000 -0.419 0.000 1.282 32 A HN 1.282 nan 8.150 nan 0.000 0.404 33 E N 1.240 121.439 120.200 -0.002 0.000 2.363 33 E HA 0.577 4.928 4.350 0.000 0.000 0.281 33 E C 0.425 177.085 176.600 0.099 0.000 0.953 33 E CA -0.527 55.913 56.400 0.067 0.000 0.778 33 E CB 1.189 30.901 29.700 0.020 0.000 1.220 33 E HN 2.326 nan 8.360 nan 0.000 0.431 34 G N 1.629 110.507 108.800 0.129 0.000 2.596 34 G HA2 -0.386 3.574 3.960 0.000 0.000 0.304 34 G HA3 -0.386 3.574 3.960 0.000 0.000 0.304 34 G C 0.516 175.538 174.900 0.204 0.000 1.189 34 G CA 0.382 45.557 45.100 0.126 0.000 0.986 34 G HN 0.798 nan 8.290 nan 0.000 0.548 35 C N 2.033 121.425 119.300 0.154 0.000 2.760 35 C HA 0.566 5.026 4.460 0.000 0.000 0.293 35 C C 0.517 175.579 174.990 0.121 0.000 1.383 35 C CA -0.176 58.951 59.018 0.181 0.000 1.771 35 C CB -1.318 26.494 27.740 0.120 0.000 2.353 35 C HN 0.451 nan 8.230 nan 0.000 0.578 36 E N 0.574 120.807 120.200 0.056 0.000 2.222 36 E HA 0.548 4.898 4.350 0.000 0.000 0.267 36 E C -0.969 175.514 176.600 -0.194 0.000 0.884 36 E CA -0.352 56.017 56.400 -0.051 0.000 0.764 36 E CB 1.778 31.456 29.700 -0.038 0.000 1.169 36 E HN 0.310 nan 8.360 nan 0.000 0.413 37 L N 3.222 124.291 121.223 -0.256 0.000 2.343 37 L HA 0.553 4.893 4.340 0.000 0.000 0.275 37 L C -0.175 176.554 176.870 -0.234 0.000 1.056 37 L CA -0.769 53.855 54.840 -0.360 0.000 0.804 37 L CB 0.838 42.615 42.059 -0.470 0.000 1.203 37 L HN 0.410 nan 8.230 nan 0.000 0.440 38 I N 3.330 123.771 120.570 -0.215 0.000 2.410 38 I HA 0.329 4.499 4.170 0.000 0.000 0.286 38 I C -0.080 175.956 176.117 -0.135 0.000 1.009 38 I CA -0.469 60.746 61.300 -0.143 0.000 1.111 38 I CB 1.766 39.702 38.000 -0.107 0.000 1.262 38 I HN 0.413 nan 8.210 nan 0.000 0.443 39 L N 3.677 124.836 121.223 -0.107 0.000 2.475 39 L HA 0.262 4.602 4.340 0.000 0.000 0.253 39 L C 1.655 178.494 176.870 -0.052 0.000 1.198 39 L CA -0.064 54.730 54.840 -0.078 0.000 0.814 39 L CB 0.799 42.834 42.059 -0.040 0.000 1.134 39 L HN 0.595 nan 8.230 nan 0.000 0.478 40 S N 0.182 115.861 115.700 -0.036 0.000 2.400 40 S HA -0.154 4.316 4.470 0.000 0.000 0.232 40 S C 1.086 175.674 174.600 -0.020 0.000 1.025 40 S CA 1.601 59.785 58.200 -0.028 0.000 0.993 40 S CB -0.289 62.898 63.200 -0.021 0.000 0.808 40 S HN 0.861 nan 8.310 nan 0.000 0.478 41 D N -0.857 119.536 120.400 -0.013 0.000 2.325 41 D HA 0.257 4.897 4.640 0.000 0.000 0.225 41 D C 1.163 177.455 176.300 -0.013 0.000 1.096 41 D CA 0.763 54.758 54.000 -0.008 0.000 0.844 41 D CB -0.387 40.415 40.800 0.003 0.000 0.925 41 D HN 0.363 nan 8.370 nan 0.000 0.513 42 G N 0.359 109.145 108.800 -0.023 0.000 2.241 42 G HA2 -0.341 3.619 3.960 0.000 0.000 0.244 42 G HA3 -0.341 3.619 3.960 0.000 0.000 0.244 42 G C 0.390 175.272 174.900 -0.031 0.000 0.998 42 G CA -0.141 44.943 45.100 -0.027 0.000 0.621 42 G HN 0.454 nan 8.290 nan 0.000 0.519 43 R N 0.988 121.472 120.500 -0.027 0.000 2.585 43 R HA 0.450 4.790 4.340 0.000 0.000 0.275 43 R C 0.761 177.031 176.300 -0.050 0.000 1.018 43 R CA 0.513 56.595 56.100 -0.031 0.000 1.072 43 R CB 0.263 30.550 30.300 -0.022 0.000 0.953 43 R HN 0.421 nan 8.270 nan 0.000 0.419 44 R N 3.221 123.692 120.500 -0.049 0.000 2.460 44 R HA 0.459 4.800 4.340 0.000 0.000 0.303 44 R C -0.677 175.587 176.300 -0.060 0.000 0.968 44 R CA -0.684 55.380 56.100 -0.060 0.000 0.889 44 R CB 1.191 31.463 30.300 -0.046 0.000 1.123 44 R HN 0.348 nan 8.270 nan 0.000 0.455 45 L N 2.257 123.434 121.223 -0.077 0.000 2.386 45 L HA 0.474 4.815 4.340 0.000 0.000 0.271 45 L C -0.332 176.517 176.870 -0.036 0.000 0.993 45 L CA -1.350 53.458 54.840 -0.053 0.000 0.819 45 L CB 2.168 44.198 42.059 -0.049 0.000 1.294 45 L HN 0.267 nan 8.230 nan 0.000 0.414 46 V N 1.205 121.113 119.914 -0.011 0.000 2.508 46 V HA 0.016 4.136 4.120 0.000 0.000 0.281 46 V C -0.044 176.075 176.094 0.041 0.000 1.041 46 V CA 0.029 62.334 62.300 0.009 0.000 1.016 46 V CB 1.205 33.029 31.823 0.001 0.000 0.984 46 V HN 0.678 nan 8.190 nan 0.000 0.478 47 D N 4.134 124.580 120.400 0.076 0.000 2.316 47 D HA 0.356 4.997 4.640 0.000 0.000 0.245 47 D C 0.931 177.299 176.300 0.114 0.000 1.171 47 D CA 0.191 54.279 54.000 0.146 0.000 0.856 47 D CB 1.544 42.469 40.800 0.208 0.000 1.090 47 D HN 0.581 nan 8.370 nan 0.000 0.476 48 G N 3.141 111.973 108.800 0.053 0.000 3.126 48 G HA2 0.001 3.962 3.960 0.000 0.000 0.224 48 G HA3 0.001 3.962 3.960 0.000 0.000 0.224 48 G C 0.886 175.788 174.900 0.003 0.000 1.142 48 G CA -0.068 45.017 45.100 -0.025 0.000 0.759 48 G HN 0.440 nan 8.290 nan 0.000 0.550 49 M N -0.272 119.390 119.600 0.102 0.000 2.379 49 M HA 0.260 4.740 4.480 0.000 0.000 0.265 49 M C 1.343 177.826 176.300 0.305 0.000 1.095 49 M CA 0.012 55.421 55.300 0.181 0.000 1.075 49 M CB -0.152 32.519 32.600 0.118 0.000 1.443 49 M HN 0.082 nan 8.290 nan 0.000 0.519 50 S N 1.418 117.267 115.700 0.247 0.000 3.587 50 S HA -0.149 4.321 4.470 0.000 0.000 0.337 50 S C 0.403 175.122 174.600 0.197 0.000 1.119 50 S CA 0.746 59.056 58.200 0.184 0.000 0.976 50 S CB -1.689 61.594 63.200 0.139 0.000 0.922 50 S HN 0.577 nan 8.310 nan 0.000 0.503 51 S N -0.641 115.198 115.700 0.232 0.000 3.608 51 S HA -0.194 4.276 4.470 0.000 0.000 0.382 51 S C 0.098 174.808 174.600 0.183 0.000 0.945 51 S CA 0.903 59.183 58.200 0.133 0.000 1.256 51 S CB -1.420 61.886 63.200 0.177 0.000 0.913 51 S HN 0.931 nan 8.310 nan 0.000 0.518 52 W N 0.182 121.525 121.300 0.071 0.000 5.324 52 W HA -0.228 4.432 4.660 0.000 0.000 0.404 52 W C 0.304 176.672 176.519 -0.252 0.000 1.566 52 W CA 1.248 58.406 57.345 -0.311 0.000 0.927 52 W CB -2.711 26.497 29.460 -0.420 0.000 2.757 52 W HN 1.000 nan 8.180 nan 0.000 1.382 53 W N -4.308 117.164 121.300 0.288 0.000 1.277 53 W HA -0.369 4.291 4.660 0.001 0.000 0.236 53 W C 1.609 178.165 176.519 0.061 0.000 0.973 53 W CA 1.611 59.060 57.345 0.174 0.000 0.390 53 W CB -2.425 27.153 29.460 0.196 0.000 1.977 53 W HN 0.299 nan 8.180 nan 0.000 1.223 54 A N 0.260 123.202 122.820 0.203 0.000 1.935 54 A HA 0.521 4.841 4.320 0.000 0.000 0.214 54 A C 1.718 179.224 177.584 -0.131 0.000 1.178 54 A CA 1.475 53.536 52.037 0.040 0.000 0.640 54 A CB -0.578 18.446 19.000 0.039 0.000 0.825 54 A HN 0.753 nan 8.150 nan 0.000 0.447 55 A N 0.829 123.548 122.820 -0.169 0.000 3.091 55 A HA 0.464 4.784 4.320 0.000 0.000 0.264 55 A C 1.107 178.434 177.584 -0.428 0.000 1.673 55 A CA -0.095 51.725 52.037 -0.362 0.000 1.362 55 A CB -1.283 17.343 19.000 -0.623 0.000 1.137 55 A HN 0.749 nan 8.150 nan 0.000 0.617 56 I N -2.797 117.416 120.570 -0.595 0.000 3.001 56 I HA -0.062 4.109 4.170 0.000 0.000 0.268 56 I C 0.823 176.458 176.117 -0.805 0.000 1.267 56 I CA 0.945 61.686 61.300 -0.931 0.000 1.472 56 I CB -0.303 36.886 38.000 -1.351 0.000 1.089 56 I HN 0.475 nan 8.210 nan 0.000 0.468 57 H N 1.584 120.458 119.070 -0.326 0.000 2.528 57 H HA 0.473 5.029 4.556 0.000 0.000 0.282 57 H C 1.296 176.563 175.328 -0.101 0.000 1.097 57 H CA 0.287 56.221 56.048 -0.188 0.000 1.121 57 H CB -0.033 29.533 29.762 -0.326 0.000 1.590 57 H HN 0.498 nan 8.280 nan 0.000 0.553 58 G N 0.833 109.542 108.800 -0.151 0.000 2.593 58 G HA2 -0.269 3.691 3.960 0.000 0.000 0.237 58 G HA3 -0.269 3.691 3.960 0.000 0.000 0.237 58 G C -1.086 173.586 174.900 -0.379 0.000 1.312 58 G CA -0.493 44.501 45.100 -0.176 0.000 0.896 58 G HN 0.307 nan 8.290 nan 0.000 0.574 59 Y N -0.069 120.269 120.300 0.063 0.000 2.549 59 Y HA 0.659 5.209 4.550 0.000 0.000 0.339 59 Y C 1.179 177.113 175.900 0.057 0.000 1.053 59 Y CA -0.338 57.787 58.100 0.042 0.000 1.105 59 Y CB 1.419 39.879 38.460 0.000 0.000 1.258 59 Y HN 0.736 nan 8.280 nan 0.000 0.478 60 N N 1.672 120.487 118.700 0.190 0.000 2.699 60 N HA -0.269 4.471 4.740 0.000 0.000 0.256 60 N C -0.772 174.798 175.510 0.101 0.000 0.993 60 N CA 0.482 53.601 53.050 0.115 0.000 0.759 60 N CB -0.936 37.599 38.487 0.081 0.000 0.906 60 N HN 0.710 nan 8.380 nan 0.000 0.541 61 H N 1.075 120.156 119.070 0.018 0.000 2.819 61 H HA 0.112 4.668 4.556 0.000 0.000 0.303 61 H C -1.303 174.016 175.328 -0.015 0.000 1.058 61 H CA -1.117 54.929 56.048 -0.002 0.000 1.471 61 H CB 1.304 31.053 29.762 -0.021 0.000 1.480 61 H HN 0.169 nan 8.280 nan 0.000 0.517 62 P HA -0.185 nan 4.420 nan 0.000 0.215 62 P C 1.392 178.727 177.300 0.058 0.000 1.153 62 P CA 1.175 64.253 63.100 -0.038 0.000 0.853 62 P CB 0.404 32.039 31.700 -0.107 0.000 0.788 63 Q N -0.665 119.241 119.800 0.175 0.000 2.079 63 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 63 Q C 2.422 178.478 176.000 0.092 0.000 0.974 63 Q CA 1.144 57.040 55.803 0.155 0.000 0.840 63 Q CB -0.442 28.413 28.738 0.196 0.000 0.898 63 Q HN 0.246 nan 8.270 nan 0.000 0.430 64 L N 0.442 121.738 121.223 0.123 0.000 2.005 64 L HA -0.203 4.137 4.340 0.000 0.000 0.207 64 L C 2.010 178.895 176.870 0.026 0.000 1.072 64 L CA 0.852 55.697 54.840 0.008 0.000 0.744 64 L CB -0.613 41.430 42.059 -0.027 0.000 0.895 64 L HN 0.220 nan 8.230 nan 0.000 0.433 65 N N 0.589 119.320 118.700 0.051 0.000 2.061 65 N HA -0.197 4.543 4.740 0.000 0.000 0.193 65 N C 1.836 177.355 175.510 0.016 0.000 1.030 65 N CA 1.760 54.827 53.050 0.029 0.000 0.856 65 N CB -0.440 38.065 38.487 0.030 0.000 1.023 65 N HN 0.348 nan 8.380 nan 0.000 0.424 66 A N 0.560 123.392 122.820 0.019 0.000 1.898 66 A HA 0.109 4.429 4.320 0.000 0.000 0.216 66 A C 2.312 179.899 177.584 0.005 0.000 1.181 66 A CA 1.803 53.846 52.037 0.010 0.000 0.620 66 A CB -0.837 18.169 19.000 0.010 0.000 0.819 66 A HN 0.318 nan 8.150 nan 0.000 0.442 67 A N -0.591 122.232 122.820 0.004 0.000 1.930 67 A HA -0.076 4.244 4.320 0.000 0.000 0.217 67 A C 2.246 179.827 177.584 -0.005 0.000 1.175 67 A CA 1.723 53.758 52.037 -0.003 0.000 0.627 67 A CB -0.498 18.496 19.000 -0.011 0.000 0.815 67 A HN 0.540 nan 8.150 nan 0.000 0.443 68 M N -0.682 118.914 119.600 -0.005 0.000 2.077 68 M HA -0.133 4.347 4.480 0.000 0.000 0.261 68 M C 2.145 178.441 176.300 -0.005 0.000 1.070 68 M CA 1.747 57.042 55.300 -0.008 0.000 1.125 68 M CB -0.383 32.213 32.600 -0.007 0.000 1.339 68 M HN 0.288 nan 8.290 nan 0.000 0.409 69 K N -0.122 120.277 120.400 -0.002 0.000 2.103 69 K HA -0.098 4.222 4.320 0.000 0.000 0.207 69 K C 2.101 178.700 176.600 -0.002 0.000 1.048 69 K CA 1.623 57.909 56.287 -0.002 0.000 0.930 69 K CB -0.265 32.234 32.500 -0.000 0.000 0.716 69 K HN 0.199 nan 8.250 nan 0.000 0.444 70 S N 1.179 116.878 115.700 -0.001 0.000 2.368 70 S HA -0.198 4.272 4.470 0.000 0.000 0.225 70 S C 2.005 176.603 174.600 -0.004 0.000 1.030 70 S CA 1.354 59.554 58.200 -0.001 0.000 0.999 70 S CB -0.196 63.004 63.200 0.001 0.000 0.844 70 S HN 0.259 nan 8.310 nan 0.000 0.459 71 Q N 1.269 121.065 119.800 -0.006 0.000 2.170 71 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 71 Q C 1.794 177.787 176.000 -0.013 0.000 0.976 71 Q CA 1.333 57.129 55.803 -0.013 0.000 0.858 71 Q CB -0.540 28.187 28.738 -0.018 0.000 0.907 71 Q HN 0.589 nan 8.270 nan 0.000 0.433 72 I N 0.524 121.090 120.570 -0.008 0.000 2.286 72 I HA -0.274 3.896 4.170 0.000 0.000 0.248 72 I C 1.387 177.502 176.117 -0.003 0.000 1.115 72 I CA 1.279 62.577 61.300 -0.004 0.000 1.392 72 I CB -0.267 37.731 38.000 -0.003 0.000 1.065 72 I HN 0.190 nan 8.210 nan 0.000 0.418 73 D N 0.806 121.204 120.400 -0.003 0.000 2.178 73 D HA -0.117 4.523 4.640 0.000 0.000 0.201 73 D C 2.148 178.446 176.300 -0.003 0.000 0.980 73 D CA 1.448 55.447 54.000 -0.002 0.000 0.842 73 D CB 0.008 40.807 40.800 -0.001 0.000 0.948 73 D HN 0.385 nan 8.370 nan 0.000 0.472 74 A N 0.285 123.101 122.820 -0.006 0.000 1.850 74 A HA 0.227 4.547 4.320 0.000 0.000 0.212 74 A C 1.029 178.605 177.584 -0.014 0.000 1.208 74 A CA 1.107 53.139 52.037 -0.009 0.000 0.609 74 A CB 0.009 19.003 19.000 -0.010 0.000 0.860 74 A HN 0.328 nan 8.150 nan 0.000 0.448 75 M N -2.467 117.120 119.600 -0.022 0.000 2.394 75 M HA 0.214 4.695 4.480 0.000 0.000 0.246 75 M C 0.086 176.371 176.300 -0.025 0.000 0.967 75 M CA 0.197 55.483 55.300 -0.024 0.000 0.835 75 M CB 0.634 33.207 32.600 -0.045 0.000 2.169 75 M HN 0.215 nan 8.290 nan 0.000 0.479 76 S N 0.423 116.131 115.700 0.013 0.000 2.387 76 S HA 0.008 4.478 4.470 0.000 0.000 0.226 76 S C 0.413 175.069 174.600 0.093 0.000 1.026 76 S CA 1.567 59.786 58.200 0.033 0.000 0.972 76 S CB -0.264 62.961 63.200 0.041 0.000 0.814 76 S HN 0.951 nan 8.310 nan 0.000 0.477 77 H N -1.079 117.986 119.070 -0.008 0.000 2.974 77 H HA 0.733 5.289 4.556 0.000 0.000 0.366 77 H C -1.584 173.748 175.328 0.006 0.000 1.155 77 H CA -0.419 55.638 56.048 0.016 0.000 1.186 77 H CB 2.080 31.925 29.762 0.139 0.000 1.799 77 H HN 0.145 nan 8.280 nan 0.000 0.541 78 V N 6.035 125.444 119.914 -0.842 0.000 3.012 78 V HA 0.386 4.506 4.120 0.000 0.000 0.307 78 V C -0.298 175.367 176.094 -0.715 0.000 1.166 78 V CA -0.934 61.008 62.300 -0.597 0.000 0.974 78 V CB 1.882 33.583 31.823 -0.203 0.000 1.040 78 V HN 1.020 nan 8.190 nan 0.000 0.428 79 M N 3.631 123.036 119.600 -0.323 0.000 2.240 79 M HA 0.338 4.818 4.480 0.000 0.000 0.317 79 M C -0.266 176.123 176.300 0.149 0.000 1.087 79 M CA 0.678 55.949 55.300 -0.048 0.000 1.176 79 M CB 0.190 32.789 32.600 -0.000 0.000 1.439 79 M HN 0.606 nan 8.290 nan 0.000 0.452 80 F N 0.630 120.578 119.950 -0.003 0.000 2.678 80 F HA 0.427 4.954 4.527 0.000 0.000 0.305 80 F C 1.086 176.873 175.800 -0.021 0.000 1.090 80 F CA -0.736 57.263 58.000 -0.001 0.000 1.272 80 F CB 0.208 39.214 39.000 0.009 0.000 1.060 80 F HN 0.778 nan 8.300 nan 0.000 0.576 81 G N -0.192 108.646 108.800 0.064 0.000 2.372 81 G HA2 0.397 4.357 3.960 0.000 0.000 0.286 81 G HA3 0.397 4.357 3.960 0.000 0.000 0.286 81 G C 1.086 175.949 174.900 -0.063 0.000 1.153 81 G CA 0.184 45.275 45.100 -0.015 0.000 0.985 81 G HN 0.703 nan 8.290 nan 0.000 0.429 82 G N 1.636 110.366 108.800 -0.117 0.000 2.168 82 G HA2 -0.273 3.687 3.960 0.000 0.000 0.263 82 G HA3 -0.273 3.687 3.960 0.000 0.000 0.263 82 G C 0.270 175.100 174.900 -0.117 0.000 0.977 82 G CA 0.636 45.672 45.100 -0.106 0.000 0.659 82 G HN 0.782 nan 8.290 nan 0.000 0.533 83 I N -0.463 120.010 120.570 -0.160 0.000 2.730 83 I HA 0.672 4.842 4.170 0.000 0.000 0.298 83 I C -0.003 175.963 176.117 -0.251 0.000 1.089 83 I CA -0.723 60.506 61.300 -0.118 0.000 1.041 83 I CB 2.613 40.606 38.000 -0.011 0.000 1.235 83 I HN 0.110 nan 8.210 nan 0.000 0.423 84 T N 3.551 118.006 114.554 -0.164 0.000 2.865 84 T HA 0.636 4.986 4.350 0.000 0.000 0.294 84 T C -1.509 173.174 174.700 -0.028 0.000 1.119 84 T CA -0.432 61.532 62.100 -0.226 0.000 1.007 84 T CB 1.331 70.037 68.868 -0.271 0.000 1.225 84 T HN 0.809 nan 8.240 nan 0.000 0.515 85 H N -0.559 118.586 119.070 0.126 0.000 2.990 85 H HA 0.681 5.237 4.556 0.000 0.000 0.336 85 H C 0.697 176.074 175.328 0.082 0.000 1.306 85 H CA -0.497 55.603 56.048 0.087 0.000 1.118 85 H CB 1.130 30.943 29.762 0.085 0.000 1.856 85 H HN 0.662 nan 8.280 nan 0.000 0.538 86 A N 0.598 123.558 122.820 0.233 0.000 1.873 86 A HA 0.013 4.333 4.320 0.000 0.000 0.215 86 A C -0.572 177.110 177.584 0.163 0.000 1.186 86 A CA 1.510 53.633 52.037 0.143 0.000 0.616 86 A CB -1.704 17.353 19.000 0.096 0.000 0.823 86 A HN 0.551 nan 8.150 nan 0.000 0.442 87 P HA -0.173 nan 4.420 nan 0.000 0.216 87 P C 1.736 179.148 177.300 0.186 0.000 1.153 87 P CA 2.116 65.321 63.100 0.174 0.000 0.858 87 P CB -0.122 31.660 31.700 0.135 0.000 0.789 88 A N -0.966 122.023 122.820 0.282 0.000 1.902 88 A HA -0.170 4.150 4.320 0.000 0.000 0.217 88 A C 2.232 179.854 177.584 0.063 0.000 1.181 88 A CA 1.448 53.538 52.037 0.088 0.000 0.623 88 A CB -1.584 17.349 19.000 -0.110 0.000 0.818 88 A HN 0.108 nan 8.150 nan 0.000 0.443 89 I N -0.764 119.841 120.570 0.058 0.000 2.202 89 I HA -0.245 3.925 4.170 0.000 0.000 0.242 89 I C 2.601 178.748 176.117 0.050 0.000 1.091 89 I CA 1.796 63.123 61.300 0.044 0.000 1.368 89 I CB -0.312 37.707 38.000 0.031 0.000 1.058 89 I HN 0.528 nan 8.210 nan 0.000 0.410 90 E N 1.042 121.277 120.200 0.058 0.000 2.077 90 E HA -0.277 4.073 4.350 0.000 0.000 0.193 90 E C 2.235 178.866 176.600 0.051 0.000 0.989 90 E CA 1.290 57.721 56.400 0.051 0.000 0.800 90 E CB -0.031 29.699 29.700 0.050 0.000 0.746 90 E HN 0.322 nan 8.360 nan 0.000 0.452 91 L N 0.680 121.935 121.223 0.054 0.000 2.046 91 L HA -0.159 4.181 4.340 0.000 0.000 0.208 91 L C 2.256 179.162 176.870 0.059 0.000 1.077 91 L CA 1.725 56.596 54.840 0.051 0.000 0.747 91 L CB -0.706 41.378 42.059 0.041 0.000 0.896 91 L HN 0.278 nan 8.230 nan 0.000 0.432 92 C N -0.242 119.091 119.300 0.054 0.000 2.440 92 C HA -0.082 4.378 4.460 0.000 0.000 0.278 92 C C 2.770 177.791 174.990 0.052 0.000 1.295 92 C CA 0.739 59.789 59.018 0.054 0.000 1.738 92 C CB -1.075 26.696 27.740 0.051 0.000 1.987 92 C HN 0.528 nan 8.230 nan 0.000 0.492 93 R N 1.053 121.582 120.500 0.049 0.000 2.091 93 R HA -0.145 4.195 4.340 0.000 0.000 0.238 93 R C 2.229 178.565 176.300 0.060 0.000 1.136 93 R CA 1.415 57.543 56.100 0.047 0.000 0.959 93 R CB -0.232 30.093 30.300 0.042 0.000 0.856 93 R HN 0.599 nan 8.270 nan 0.000 0.437 94 K N 0.528 120.971 120.400 0.071 0.000 2.025 94 K HA -0.099 4.221 4.320 0.000 0.000 0.207 94 K C 2.152 178.824 176.600 0.121 0.000 1.049 94 K CA 1.172 57.515 56.287 0.094 0.000 0.933 94 K CB -0.158 32.400 32.500 0.096 0.000 0.714 94 K HN 0.114 nan 8.250 nan 0.000 0.438 95 L N 0.632 121.926 121.223 0.117 0.000 2.046 95 L HA -0.199 4.141 4.340 0.000 0.000 0.208 95 L C 2.367 179.280 176.870 0.071 0.000 1.077 95 L CA 0.927 55.844 54.840 0.127 0.000 0.747 95 L CB -0.538 41.589 42.059 0.112 0.000 0.896 95 L HN -0.004 nan 8.230 nan 0.000 0.432 96 V N 0.111 120.055 119.914 0.051 0.000 2.295 96 V HA -0.312 3.808 4.120 0.000 0.000 0.246 96 V C 2.750 178.866 176.094 0.036 0.000 1.049 96 V CA 1.934 64.250 62.300 0.027 0.000 1.024 96 V CB -0.935 30.903 31.823 0.024 0.000 0.648 96 V HN 0.493 nan 8.190 nan 0.000 0.447 97 A N 0.754 123.609 122.820 0.057 0.000 1.898 97 A HA -0.215 4.105 4.320 0.000 0.000 0.216 97 A C 2.259 179.897 177.584 0.090 0.000 1.181 97 A CA 2.196 54.272 52.037 0.065 0.000 0.620 97 A CB -0.486 18.555 19.000 0.067 0.000 0.819 97 A HN 0.667 nan 8.150 nan 0.000 0.442 98 M N -0.234 119.445 119.600 0.131 0.000 2.562 98 M HA 0.054 4.535 4.480 0.000 0.000 0.257 98 M C 0.661 177.100 176.300 0.232 0.000 1.099 98 M CA 1.166 56.586 55.300 0.201 0.000 1.099 98 M CB -0.822 31.943 32.600 0.275 0.000 1.427 98 M HN 0.336 nan 8.290 nan 0.000 0.489 99 T N -0.624 113.983 114.554 0.089 0.000 2.927 99 T HA 0.619 4.969 4.350 0.000 0.000 0.281 99 T C -2.674 172.009 174.700 -0.027 0.000 0.998 99 T CA -1.820 60.247 62.100 -0.056 0.000 1.019 99 T CB 0.726 69.456 68.868 -0.230 0.000 1.061 99 T HN -0.004 nan 8.240 nan 0.000 0.518 100 P HA -0.018 nan 4.420 nan 0.000 0.267 100 P C 1.113 178.395 177.300 -0.031 0.000 1.195 100 P CA -0.171 62.911 63.100 -0.030 0.000 0.773 100 P CB 0.428 32.099 31.700 -0.049 0.000 0.837 101 Q N 4.062 123.853 119.800 -0.014 0.000 2.096 101 Q HA -0.196 4.144 4.340 0.000 0.000 0.208 101 Q C -0.935 175.051 176.000 -0.023 0.000 0.993 101 Q CA 2.688 58.484 55.803 -0.012 0.000 0.862 101 Q CB -2.051 26.684 28.738 -0.004 0.000 0.915 101 Q HN 0.365 nan 8.270 nan 0.000 0.416 102 P HA -0.072 nan 4.420 nan 0.000 0.218 102 P C 0.028 177.296 177.300 -0.053 0.000 1.148 102 P CA 0.883 63.959 63.100 -0.041 0.000 0.822 102 P CB -0.184 31.488 31.700 -0.047 0.000 0.784 103 L N 1.061 122.246 121.223 -0.064 0.000 2.433 103 L HA 0.080 4.420 4.340 0.000 0.000 0.284 103 L C 1.288 178.127 176.870 -0.053 0.000 1.120 103 L CA 0.380 55.175 54.840 -0.076 0.000 0.879 103 L CB -0.301 41.693 42.059 -0.109 0.000 1.232 103 L HN 0.161 nan 8.230 nan 0.000 0.454 104 E N 0.654 120.829 120.200 -0.042 0.000 2.702 104 E HA 0.166 4.516 4.350 0.000 0.000 0.225 104 E C -0.421 176.172 176.600 -0.012 0.000 0.942 104 E CA -0.351 56.036 56.400 -0.022 0.000 1.210 104 E CB 0.476 30.166 29.700 -0.017 0.000 1.143 104 E HN 0.430 nan 8.360 nan 0.000 0.544 105 C N 1.582 120.871 119.300 -0.019 0.000 2.345 105 C HA 0.685 5.146 4.460 0.000 0.000 0.323 105 C C -0.101 174.899 174.990 0.016 0.000 1.276 105 C CA -0.692 58.326 59.018 -0.001 0.000 1.543 105 C CB 1.194 28.928 27.740 -0.011 0.000 2.211 105 C HN 0.214 nan 8.230 nan 0.000 0.493 106 V N 3.242 123.185 119.914 0.048 0.000 2.495 106 V HA 0.446 4.566 4.120 0.000 0.000 0.298 106 V C -0.717 175.454 176.094 0.129 0.000 1.031 106 V CA -0.379 61.964 62.300 0.072 0.000 0.871 106 V CB 1.525 33.381 31.823 0.055 0.000 0.988 106 V HN 0.741 nan 8.190 nan 0.000 0.432 107 F N 5.727 125.686 119.950 0.016 0.000 2.325 107 F HA 0.606 5.133 4.527 0.000 0.000 0.369 107 F C -0.156 175.673 175.800 0.049 0.000 1.095 107 F CA -0.552 57.483 58.000 0.058 0.000 1.082 107 F CB 0.757 39.783 39.000 0.043 0.000 1.289 107 F HN 0.328 nan 8.300 nan 0.000 0.462 108 L N 5.639 126.778 121.223 -0.140 0.000 2.417 108 L HA 0.696 5.036 4.340 0.000 0.000 0.268 108 L C 0.292 177.141 176.870 -0.034 0.000 1.158 108 L CA -0.193 54.605 54.840 -0.071 0.000 0.819 108 L CB 0.844 42.802 42.059 -0.168 0.000 1.112 108 L HN 0.754 nan 8.230 nan 0.000 0.458 109 A N 1.520 124.390 122.820 0.085 0.000 2.593 109 A HA 0.498 4.818 4.320 0.000 0.000 0.304 109 A C -0.508 177.128 177.584 0.087 0.000 1.233 109 A CA -0.372 51.748 52.037 0.139 0.000 0.661 109 A CB 0.697 19.857 19.000 0.266 0.000 1.338 109 A HN 0.703 nan 8.150 nan 0.000 0.495 110 D N 0.016 120.474 120.400 0.097 0.000 2.240 110 D HA 0.232 4.872 4.640 0.000 0.000 0.206 110 D C 0.893 177.214 176.300 0.035 0.000 0.963 110 D CA 1.317 55.348 54.000 0.053 0.000 0.863 110 D CB 0.046 40.879 40.800 0.055 0.000 0.973 110 D HN 0.704 nan 8.370 nan 0.000 0.501 111 S N -1.742 113.986 115.700 0.047 0.000 2.638 111 S HA 0.587 5.057 4.470 0.000 0.000 0.274 111 S C 1.184 175.806 174.600 0.036 0.000 1.157 111 S CA -0.537 57.682 58.200 0.032 0.000 0.826 111 S CB 1.402 64.612 63.200 0.017 0.000 1.139 111 S HN 0.031 nan 8.310 nan 0.000 0.474 112 G N 1.384 110.202 108.800 0.030 0.000 2.459 112 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 112 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 112 G C 1.349 176.250 174.900 0.001 0.000 1.183 112 G CA 1.184 46.302 45.100 0.030 0.000 0.776 112 G HN 0.800 nan 8.290 nan 0.000 0.552 113 S N -0.047 115.643 115.700 -0.018 0.000 2.387 113 S HA -0.142 4.328 4.470 0.000 0.000 0.230 113 S C 2.434 177.014 174.600 -0.034 0.000 1.035 113 S CA 1.306 59.477 58.200 -0.048 0.000 1.014 113 S CB -0.291 62.874 63.200 -0.059 0.000 0.836 113 S HN 0.179 nan 8.310 nan 0.000 0.466 114 V N 1.537 121.450 119.914 -0.002 0.000 2.453 114 V HA -0.098 4.022 4.120 0.000 0.000 0.247 114 V C 2.549 178.628 176.094 -0.025 0.000 1.048 114 V CA 1.433 63.741 62.300 0.014 0.000 1.049 114 V CB -1.064 30.801 31.823 0.070 0.000 0.672 114 V HN 0.537 nan 8.190 nan 0.000 0.457 115 A N -0.243 122.574 122.820 -0.005 0.000 1.930 115 A HA -0.132 4.188 4.320 0.000 0.000 0.217 115 A C 2.352 179.899 177.584 -0.060 0.000 1.175 115 A CA 1.859 53.889 52.037 -0.011 0.000 0.627 115 A CB -0.518 18.499 19.000 0.029 0.000 0.815 115 A HN 0.340 nan 8.150 nan 0.000 0.443 116 V N 0.360 120.235 119.914 -0.065 0.000 2.427 116 V HA -0.189 3.932 4.120 0.000 0.000 0.248 116 V C 2.434 178.445 176.094 -0.139 0.000 1.051 116 V CA 1.921 64.155 62.300 -0.111 0.000 1.048 116 V CB -0.658 31.099 31.823 -0.111 0.000 0.666 116 V HN 0.559 nan 8.190 nan 0.000 0.456 117 E N 0.004 120.140 120.200 -0.106 0.000 2.072 117 E HA -0.157 4.193 4.350 0.000 0.000 0.191 117 E C 2.349 178.896 176.600 -0.089 0.000 0.985 117 E CA 1.261 57.612 56.400 -0.082 0.000 0.801 117 E CB -0.317 29.375 29.700 -0.013 0.000 0.750 117 E HN 0.472 nan 8.360 nan 0.000 0.452 118 V N 1.778 121.587 119.914 -0.174 0.000 2.295 118 V HA -0.268 3.853 4.120 0.000 0.000 0.246 118 V C 2.482 178.499 176.094 -0.129 0.000 1.049 118 V CA 1.878 64.048 62.300 -0.217 0.000 1.024 118 V CB -0.789 30.804 31.823 -0.383 0.000 0.648 118 V HN 0.266 nan 8.190 nan 0.000 0.447 119 A N -0.699 122.034 122.820 -0.145 0.000 1.902 119 A HA -0.254 4.066 4.320 0.000 0.000 0.217 119 A C 2.221 179.773 177.584 -0.054 0.000 1.181 119 A CA 2.298 54.255 52.037 -0.134 0.000 0.623 119 A CB -0.475 18.449 19.000 -0.127 0.000 0.818 119 A HN 0.515 nan 8.150 nan 0.000 0.443 120 M N -0.950 118.613 119.600 -0.062 0.000 2.132 120 M HA -0.145 4.336 4.480 0.000 0.000 0.263 120 M C 2.161 178.588 176.300 0.211 0.000 1.065 120 M CA 1.725 57.039 55.300 0.023 0.000 1.122 120 M CB -0.311 32.118 32.600 -0.285 0.000 1.365 120 M HN 0.288 nan 8.290 nan 0.000 0.411 121 K N 0.019 120.515 120.400 0.159 0.000 2.097 121 K HA -0.079 4.241 4.320 0.000 0.000 0.206 121 K C 1.932 178.725 176.600 0.321 0.000 1.049 121 K CA 1.316 57.759 56.287 0.260 0.000 0.933 121 K CB -0.108 32.568 32.500 0.294 0.000 0.717 121 K HN 0.320 nan 8.250 nan 0.000 0.442 122 M N 0.015 119.703 119.600 0.147 0.000 2.086 122 M HA -0.183 4.297 4.480 0.000 0.000 0.261 122 M C 2.359 178.671 176.300 0.021 0.000 1.067 122 M CA 1.680 56.923 55.300 -0.094 0.000 1.116 122 M CB -0.261 32.100 32.600 -0.399 0.000 1.348 122 M HN 0.222 nan 8.290 nan 0.000 0.407 123 A N 0.458 123.322 122.820 0.073 0.000 1.877 123 A HA -0.140 4.181 4.320 0.000 0.000 0.216 123 A C 2.068 179.797 177.584 0.242 0.000 1.186 123 A CA 1.414 53.525 52.037 0.124 0.000 0.620 123 A CB -1.002 18.135 19.000 0.228 0.000 0.822 123 A HN 0.450 nan 8.150 nan 0.000 0.443 124 L N -0.990 120.393 121.223 0.266 0.000 2.012 124 L HA -0.264 4.076 4.340 0.000 0.000 0.210 124 L C 2.946 179.944 176.870 0.213 0.000 1.073 124 L CA 1.769 56.755 54.840 0.244 0.000 0.748 124 L CB -0.650 41.541 42.059 0.219 0.000 0.891 124 L HN 0.500 nan 8.230 nan 0.000 0.431 125 Q N -1.183 118.734 119.800 0.196 0.000 2.119 125 Q HA -0.243 4.097 4.340 0.000 0.000 0.201 125 Q C 2.115 178.178 176.000 0.104 0.000 0.972 125 Q CA 1.642 57.541 55.803 0.160 0.000 0.847 125 Q CB -0.175 28.697 28.738 0.222 0.000 0.903 125 Q HN 0.445 nan 8.270 nan 0.000 0.433 126 Y N -0.310 119.940 120.300 -0.083 0.000 2.053 126 Y HA -0.296 4.254 4.550 0.000 0.000 0.277 126 Y C 1.536 177.272 175.900 -0.274 0.000 1.159 126 Y CA 1.962 59.898 58.100 -0.274 0.000 1.125 126 Y CB -0.607 37.547 38.460 -0.510 0.000 0.969 126 Y HN 0.138 nan 8.280 nan 0.000 0.492 127 W N 0.256 121.568 121.300 0.020 0.000 2.402 127 W HA -0.162 4.498 4.660 0.000 0.000 0.286 127 W C 2.655 179.121 176.519 -0.089 0.000 1.221 127 W CA 0.918 58.215 57.345 -0.081 0.000 1.257 127 W CB -0.404 29.053 29.460 -0.004 0.000 1.120 127 W HN 0.103 nan 8.180 nan 0.000 0.551 128 Q N 0.966 120.862 119.800 0.161 0.000 2.124 128 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 128 Q C 2.189 178.201 176.000 0.020 0.000 0.977 128 Q CA 1.969 57.822 55.803 0.084 0.000 0.850 128 Q CB -0.475 28.309 28.738 0.076 0.000 0.901 128 Q HN 0.303 nan 8.270 nan 0.000 0.429 129 A N 0.414 123.210 122.820 -0.039 0.000 2.014 129 A HA -0.084 4.237 4.320 0.000 0.000 0.218 129 A C 1.772 179.284 177.584 -0.119 0.000 1.163 129 A CA 1.031 53.018 52.037 -0.083 0.000 0.652 129 A CB -0.094 18.835 19.000 -0.118 0.000 0.808 129 A HN 0.281 nan 8.150 nan 0.000 0.449 130 K N -1.091 119.216 120.400 -0.155 0.000 2.417 130 K HA 0.257 4.578 4.320 0.000 0.000 0.196 130 K C 0.889 177.495 176.600 0.010 0.000 1.023 130 K CA 0.397 56.619 56.287 -0.108 0.000 1.122 130 K CB 0.063 32.463 32.500 -0.167 0.000 0.850 130 K HN 0.555 nan 8.250 nan 0.000 0.521 131 G N 2.019 110.833 108.800 0.024 0.000 2.179 131 G HA2 -0.303 3.657 3.960 0.000 0.000 0.257 131 G HA3 -0.303 3.657 3.960 0.000 0.000 0.257 131 G C -0.380 174.552 174.900 0.054 0.000 1.010 131 G CA 0.150 45.270 45.100 0.034 0.000 0.736 131 G HN 0.405 nan 8.290 nan 0.000 0.513 132 E N 0.073 120.337 120.200 0.106 0.000 2.175 132 E HA 0.613 4.964 4.350 0.000 0.000 0.278 132 E C 0.555 177.160 176.600 0.009 0.000 0.969 132 E CA -0.113 56.325 56.400 0.063 0.000 0.796 132 E CB 1.104 30.877 29.700 0.121 0.000 1.104 132 E HN 0.544 nan 8.360 nan 0.000 0.395 133 A N 5.330 128.123 122.820 -0.045 0.000 2.805 133 A HA 0.207 4.527 4.320 0.000 0.000 0.301 133 A C -0.211 177.282 177.584 -0.152 0.000 1.557 133 A CA 0.002 52.004 52.037 -0.059 0.000 1.254 133 A CB -0.190 18.791 19.000 -0.032 0.000 1.114 133 A HN 0.556 nan 8.150 nan 0.000 0.553 134 R N 1.686 122.072 120.500 -0.189 0.000 2.468 134 R HA 0.353 4.693 4.340 0.000 0.000 0.302 134 R C -0.463 175.689 176.300 -0.246 0.000 1.041 134 R CA -0.149 55.741 56.100 -0.350 0.000 0.899 134 R CB 1.348 31.197 30.300 -0.751 0.000 1.167 134 R HN 0.791 nan 8.270 nan 0.000 0.483 135 Q N 1.133 120.784 119.800 -0.248 0.000 2.103 135 Q HA 0.212 4.552 4.340 0.000 0.000 0.219 135 Q C -0.078 175.751 176.000 -0.286 0.000 0.784 135 Q CA -0.302 55.379 55.803 -0.203 0.000 1.014 135 Q CB 1.185 29.875 28.738 -0.080 0.000 1.183 135 Q HN 0.177 nan 8.270 nan 0.000 0.469 136 R N 0.190 120.462 120.500 -0.381 0.000 2.500 136 R HA 0.451 4.792 4.340 0.000 0.000 0.277 136 R C -0.655 175.297 176.300 -0.580 0.000 1.026 136 R CA -0.162 55.731 56.100 -0.346 0.000 1.058 136 R CB 0.509 30.622 30.300 -0.312 0.000 1.078 136 R HN -0.081 nan 8.270 nan 0.000 0.509 137 F N 0.935 120.771 119.950 -0.191 0.000 2.508 137 F HA 0.385 4.912 4.527 0.000 0.000 0.325 137 F C -0.021 175.607 175.800 -0.288 0.000 1.090 137 F CA -1.156 56.723 58.000 -0.202 0.000 0.945 137 F CB 1.449 40.339 39.000 -0.184 0.000 1.156 137 F HN 0.141 nan 8.300 nan 0.000 0.463 138 L N 2.601 123.764 121.223 -0.100 0.000 2.305 138 L HA 0.706 5.046 4.340 0.000 0.000 0.284 138 L C -0.335 176.439 176.870 -0.160 0.000 1.013 138 L CA 0.216 54.936 54.840 -0.201 0.000 0.819 138 L CB 1.244 43.167 42.059 -0.227 0.000 1.227 138 L HN 0.678 nan 8.230 nan 0.000 0.417 139 T N 3.427 117.847 114.554 -0.224 0.000 2.804 139 T HA 0.634 4.984 4.350 0.000 0.000 0.290 139 T C -1.122 173.606 174.700 0.047 0.000 1.099 139 T CA -0.363 61.657 62.100 -0.132 0.000 1.011 139 T CB 0.632 69.446 68.868 -0.090 0.000 1.291 139 T HN 0.202 nan 8.240 nan 0.000 0.523 140 F N 1.832 121.859 119.950 0.129 0.000 2.432 140 F HA 0.609 5.136 4.527 0.000 0.000 0.329 140 F C 1.232 177.146 175.800 0.189 0.000 1.076 140 F CA -1.303 56.749 58.000 0.088 0.000 1.018 140 F CB 0.948 39.910 39.000 -0.062 0.000 1.201 140 F HN 0.420 nan 8.300 nan 0.000 0.489 141 R N 1.553 122.256 120.500 0.338 0.000 2.694 141 R HA 0.083 4.423 4.340 0.000 0.000 0.268 141 R C 0.547 176.909 176.300 0.104 0.000 1.061 141 R CA 0.103 56.314 56.100 0.185 0.000 1.133 141 R CB 0.155 30.500 30.300 0.077 0.000 1.020 141 R HN 0.712 nan 8.270 nan 0.000 0.475 142 N N -1.137 117.604 118.700 0.068 0.000 2.909 142 N HA -0.136 4.604 4.740 0.000 0.000 0.242 142 N C 0.026 175.592 175.510 0.094 0.000 0.975 142 N CA 1.179 54.260 53.050 0.052 0.000 0.921 142 N CB -0.779 37.715 38.487 0.011 0.000 1.112 142 N HN 0.825 nan 8.380 nan 0.000 0.581 143 G N -0.166 108.720 108.800 0.143 0.000 2.476 143 G HA2 0.427 4.387 3.960 0.000 0.000 0.269 143 G HA3 0.427 4.387 3.960 0.000 0.000 0.269 143 G C -1.074 173.826 174.900 -0.001 0.000 1.195 143 G CA -0.083 45.066 45.100 0.082 0.000 0.843 143 G HN 0.251 nan 8.290 nan 0.000 0.545 144 Y N 0.890 120.966 120.300 -0.373 0.000 2.386 144 Y HA 0.457 5.007 4.550 0.000 0.000 0.334 144 Y C 0.048 175.631 175.900 -0.528 0.000 1.002 144 Y CA -0.972 56.948 58.100 -0.300 0.000 1.068 144 Y CB 1.610 39.981 38.460 -0.148 0.000 1.203 144 Y HN 0.610 nan 8.280 nan 0.000 0.443 145 H N 3.942 122.610 119.070 -0.670 0.000 3.078 145 H HA 0.500 5.056 4.556 0.000 0.000 0.263 145 H C 0.569 175.519 175.328 -0.630 0.000 1.177 145 H CA 0.387 56.141 56.048 -0.489 0.000 1.128 145 H CB 1.132 30.749 29.762 -0.241 0.000 1.623 145 H HN 0.896 nan 8.280 nan 0.000 0.592 146 G N 0.612 108.741 108.800 -1.119 0.000 2.347 146 G HA2 -0.146 3.815 3.960 0.000 0.000 0.341 146 G HA3 -0.146 3.815 3.960 0.000 0.000 0.341 146 G C -0.867 173.860 174.900 -0.289 0.000 1.287 146 G CA -0.357 44.430 45.100 -0.522 0.000 0.984 146 G HN 0.064 nan 8.290 nan 0.000 0.526 147 D N -0.126 120.212 120.400 -0.103 0.000 2.449 147 D HA 0.206 4.846 4.640 0.000 0.000 0.210 147 D C 1.777 177.933 176.300 -0.241 0.000 1.094 147 D CA 1.263 55.220 54.000 -0.071 0.000 0.846 147 D CB 0.469 41.272 40.800 0.005 0.000 1.003 147 D HN 0.761 nan 8.370 nan 0.000 0.504 148 T N -1.732 112.689 114.554 -0.221 0.000 2.813 148 T HA 0.106 4.456 4.350 0.000 0.000 0.297 148 T C 1.331 175.860 174.700 -0.284 0.000 1.036 148 T CA -0.537 61.392 62.100 -0.285 0.000 1.044 148 T CB 0.573 69.362 68.868 -0.131 0.000 0.993 148 T HN -0.232 nan 8.240 nan 0.000 0.535 149 F N 1.421 121.291 119.950 -0.133 0.000 2.091 149 F HA 0.033 4.560 4.527 0.000 0.000 0.299 149 F C 2.765 178.504 175.800 -0.103 0.000 1.103 149 F CA 1.995 59.914 58.000 -0.135 0.000 1.228 149 F CB -1.305 37.669 39.000 -0.043 0.000 0.984 149 F HN 0.812 nan 8.300 nan 0.000 0.477 150 G N -0.869 107.976 108.800 0.075 0.000 2.404 150 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 150 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 150 G C 1.903 176.750 174.900 -0.088 0.000 1.174 150 G CA 0.886 45.976 45.100 -0.018 0.000 0.780 150 G HN 0.488 nan 8.290 nan 0.000 0.537 151 A N 0.617 123.379 122.820 -0.097 0.000 1.908 151 A HA -0.007 4.313 4.320 0.000 0.000 0.218 151 A C 2.462 180.015 177.584 -0.052 0.000 1.181 151 A CA 1.879 53.850 52.037 -0.111 0.000 0.627 151 A CB -0.402 18.514 19.000 -0.140 0.000 0.818 151 A HN 0.380 nan 8.150 nan 0.000 0.445 152 M N 0.493 120.063 119.600 -0.050 0.000 2.149 152 M HA -0.168 4.312 4.480 0.000 0.000 0.261 152 M C 2.336 178.727 176.300 0.151 0.000 1.064 152 M CA 1.789 57.112 55.300 0.039 0.000 1.102 152 M CB -0.386 32.154 32.600 -0.098 0.000 1.369 152 M HN 0.650 nan 8.290 nan 0.000 0.408 153 S N -0.176 115.558 115.700 0.057 0.000 2.500 153 S HA -0.044 4.427 4.470 0.000 0.000 0.239 153 S C 1.279 176.044 174.600 0.276 0.000 0.989 153 S CA 0.964 59.224 58.200 0.100 0.000 0.951 153 S CB -0.761 62.462 63.200 0.039 0.000 0.759 153 S HN 0.476 nan 8.310 nan 0.000 0.523 154 V N -2.689 117.365 119.914 0.233 0.000 3.346 154 V HA 0.481 4.601 4.120 0.000 0.000 0.309 154 V C 0.586 176.985 176.094 0.508 0.000 1.457 154 V CA -1.069 61.392 62.300 0.270 0.000 1.069 154 V CB -1.340 30.449 31.823 -0.057 0.000 0.944 154 V HN 0.486 nan 8.190 nan 0.000 0.449 155 C N 1.260 120.835 119.300 0.458 0.000 2.500 155 C HA 0.446 4.906 4.460 0.000 0.000 0.367 155 C C 0.714 175.835 174.990 0.218 0.000 1.283 155 C CA -0.091 59.116 59.018 0.315 0.000 2.456 155 C CB 0.563 28.443 27.740 0.234 0.000 2.457 155 C HN 0.682 nan 8.230 nan 0.000 0.632 156 D N 1.784 122.226 120.400 0.070 0.000 2.520 156 D HA 0.057 4.698 4.640 0.000 0.000 0.243 156 D C -1.490 174.526 176.300 -0.472 0.000 1.160 156 D CA -0.562 53.345 54.000 -0.154 0.000 0.877 156 D CB 0.710 41.478 40.800 -0.052 0.000 1.150 156 D HN 0.279 nan 8.370 nan 0.000 0.494 157 P HA -0.108 nan 4.420 nan 0.000 0.219 157 P C 0.337 177.384 177.300 -0.423 0.000 1.146 157 P CA 0.858 63.361 63.100 -0.994 0.000 0.808 157 P CB 0.287 31.594 31.700 -0.656 0.000 0.779 158 D N -1.281 118.959 120.400 -0.266 0.000 2.146 158 D HA -0.055 4.586 4.640 0.000 0.000 0.209 158 D C 1.696 177.954 176.300 -0.070 0.000 0.973 158 D CA 0.817 54.743 54.000 -0.124 0.000 0.860 158 D CB -0.933 39.810 40.800 -0.094 0.000 1.015 158 D HN 0.025 nan 8.370 nan 0.000 0.465 159 N N 0.717 119.379 118.700 -0.064 0.000 2.149 159 N HA -0.089 4.652 4.740 0.000 0.000 0.188 159 N C 1.407 176.934 175.510 0.027 0.000 1.019 159 N CA 0.751 53.794 53.050 -0.010 0.000 0.857 159 N CB -0.234 38.255 38.487 0.003 0.000 0.997 159 N HN -0.060 nan 8.380 nan 0.000 0.426 160 S N 0.244 115.960 115.700 0.026 0.000 2.634 160 S HA 0.264 4.735 4.470 0.000 0.000 0.221 160 S C 0.337 175.108 174.600 0.285 0.000 0.952 160 S CA -0.212 58.095 58.200 0.178 0.000 0.930 160 S CB -0.218 63.132 63.200 0.250 0.000 0.780 160 S HN 0.257 nan 8.310 nan 0.000 0.498 161 M N 0.840 120.523 119.600 0.140 0.000 2.206 161 M HA -0.266 4.215 4.480 0.000 0.000 0.197 161 M C 0.426 176.857 176.300 0.219 0.000 0.375 161 M CA 0.458 55.834 55.300 0.127 0.000 0.410 161 M CB -1.919 30.738 32.600 0.094 0.000 1.204 161 M HN 0.524 nan 8.290 nan 0.000 0.932 162 H N -0.566 118.593 119.070 0.148 0.000 2.518 162 H HA -0.135 4.421 4.556 0.000 0.000 0.294 162 H C 2.121 177.506 175.328 0.096 0.000 1.083 162 H CA 1.302 57.490 56.048 0.233 0.000 1.264 162 H CB 0.185 30.049 29.762 0.170 0.000 1.370 162 H HN 0.835 nan 8.280 nan 0.000 0.560 163 S N 0.786 116.547 115.700 0.101 0.000 2.399 163 S HA -0.141 4.329 4.470 0.000 0.000 0.231 163 S C 2.053 176.575 174.600 -0.131 0.000 1.022 163 S CA 0.689 58.891 58.200 0.002 0.000 0.983 163 S CB -0.543 62.645 63.200 -0.020 0.000 0.803 163 S HN 0.370 nan 8.310 nan 0.000 0.480 164 L N -1.015 119.991 121.223 -0.362 0.000 2.131 164 L HA -0.038 4.302 4.340 0.000 0.000 0.210 164 L C 1.851 178.269 176.870 -0.753 0.000 1.092 164 L CA 1.341 55.726 54.840 -0.760 0.000 0.759 164 L CB -0.509 40.700 42.059 -1.416 0.000 0.903 164 L HN 0.527 nan 8.230 nan 0.000 0.435 165 W N -1.533 119.833 121.300 0.110 0.000 3.005 165 W HA 0.240 4.901 4.660 0.000 0.000 0.374 165 W C 0.669 177.254 176.519 0.110 0.000 1.076 165 W CA -0.842 56.575 57.345 0.119 0.000 1.794 165 W CB 0.012 29.568 29.460 0.160 0.000 1.113 165 W HN -0.263 nan 8.180 nan 0.000 0.584 166 K N 1.733 122.247 120.400 0.190 0.000 2.405 166 K HA 0.133 4.453 4.320 0.000 0.000 0.273 166 K C 1.130 177.817 176.600 0.145 0.000 1.116 166 K CA 1.658 58.035 56.287 0.151 0.000 1.155 166 K CB -0.131 32.423 32.500 0.090 0.000 0.858 166 K HN 0.426 nan 8.250 nan 0.000 0.477 167 G N 3.474 112.359 108.800 0.142 0.000 2.316 167 G HA2 -0.293 3.667 3.960 0.000 0.000 0.203 167 G HA3 -0.293 3.667 3.960 0.000 0.000 0.203 167 G C 0.492 175.460 174.900 0.114 0.000 0.999 167 G CA 0.076 45.243 45.100 0.111 0.000 0.649 167 G HN 0.656 nan 8.290 nan 0.000 0.489 168 Y N 0.918 121.252 120.300 0.057 0.000 2.396 168 Y HA 0.571 5.121 4.550 0.000 0.000 0.292 168 Y C 1.519 177.400 175.900 -0.032 0.000 1.128 168 Y CA 0.320 58.412 58.100 -0.013 0.000 1.194 168 Y CB 0.245 38.684 38.460 -0.035 0.000 1.124 168 Y HN 0.161 nan 8.280 nan 0.000 0.543 169 L N 3.552 124.866 121.223 0.151 0.000 2.367 169 L HA 0.220 4.560 4.340 0.000 0.000 0.275 169 L C -2.007 174.879 176.870 0.026 0.000 1.129 169 L CA -2.055 52.823 54.840 0.064 0.000 0.839 169 L CB 0.236 42.311 42.059 0.026 0.000 1.133 169 L HN 0.073 nan 8.230 nan 0.000 0.453 170 P HA 0.048 nan 4.420 nan 0.000 0.268 170 P C -0.889 176.460 177.300 0.081 0.000 1.205 170 P CA -0.140 62.977 63.100 0.029 0.000 0.771 170 P CB 0.451 32.173 31.700 0.037 0.000 0.858 171 E N 2.393 122.644 120.200 0.085 0.000 2.105 171 E HA 0.170 4.520 4.350 0.000 0.000 0.285 171 E C 0.143 176.807 176.600 0.107 0.000 1.055 171 E CA -0.356 56.127 56.400 0.137 0.000 0.843 171 E CB 0.431 30.199 29.700 0.112 0.000 1.067 171 E HN 0.373 nan 8.360 nan 0.000 0.398 172 N N 2.227 121.020 118.700 0.155 0.000 2.530 172 N HA 0.434 5.174 4.740 0.000 0.000 0.283 172 N C -0.480 174.903 175.510 -0.212 0.000 1.238 172 N CA -0.515 52.492 53.050 -0.070 0.000 0.971 172 N CB 0.976 39.363 38.487 -0.167 0.000 1.195 172 N HN 0.251 nan 8.380 nan 0.000 0.583 173 L N 0.963 121.929 121.223 -0.428 0.000 2.295 173 L HA 0.467 4.807 4.340 0.000 0.000 0.285 173 L C -0.881 175.677 176.870 -0.520 0.000 1.035 173 L CA -0.472 54.160 54.840 -0.347 0.000 0.806 173 L CB 0.479 42.332 42.059 -0.343 0.000 1.214 173 L HN 0.312 nan 8.230 nan 0.000 0.426 174 F N 2.013 121.974 119.950 0.019 0.000 2.434 174 F HA 0.557 5.084 4.527 0.000 0.000 0.355 174 F C 0.594 176.448 175.800 0.089 0.000 1.115 174 F CA -0.578 57.465 58.000 0.071 0.000 1.010 174 F CB 1.454 40.501 39.000 0.078 0.000 1.234 174 F HN 0.477 nan 8.300 nan 0.000 0.439 175 A N 4.491 127.468 122.820 0.262 0.000 2.332 175 A HA 0.656 4.977 4.320 0.000 0.000 0.258 175 A C -2.464 175.298 177.584 0.297 0.000 1.087 175 A CA -1.608 50.611 52.037 0.303 0.000 0.802 175 A CB -0.035 19.250 19.000 0.474 0.000 1.042 175 A HN 0.413 nan 8.150 nan 0.000 0.489 176 P HA 0.174 nan 4.420 nan 0.000 0.265 176 P C -0.126 177.097 177.300 -0.128 0.000 1.187 176 P CA 0.532 63.672 63.100 0.067 0.000 0.766 176 P CB 0.364 32.108 31.700 0.072 0.000 0.820 177 A N 5.631 128.347 122.820 -0.174 0.000 2.565 177 A HA 0.218 4.539 4.320 0.000 0.000 0.237 177 A C -1.915 175.319 177.584 -0.584 0.000 1.053 177 A CA -0.771 51.033 52.037 -0.388 0.000 0.755 177 A CB -1.305 17.573 19.000 -0.203 0.000 0.980 177 A HN 0.399 nan 8.150 nan 0.000 0.506 178 P HA 0.060 nan 4.420 nan 0.000 0.267 178 P C 0.189 177.299 177.300 -0.317 0.000 1.209 178 P CA 0.120 62.614 63.100 -1.010 0.000 0.763 178 P CB 0.755 31.341 31.700 -1.856 0.000 0.816 179 Q N 0.962 120.737 119.800 -0.042 0.000 2.134 179 Q HA 0.040 4.380 4.340 0.000 0.000 0.195 179 Q C 0.466 176.520 176.000 0.089 0.000 0.958 179 Q CA 0.867 56.676 55.803 0.009 0.000 0.840 179 Q CB -0.576 28.159 28.738 -0.005 0.000 0.918 179 Q HN 0.420 nan 8.270 nan 0.000 0.467 180 S N 2.219 118.022 115.700 0.171 0.000 2.575 180 S HA 0.040 4.510 4.470 0.000 0.000 0.295 180 S C 0.206 175.003 174.600 0.328 0.000 1.267 180 S CA 0.211 58.548 58.200 0.229 0.000 1.074 180 S CB 0.270 63.642 63.200 0.288 0.000 0.829 180 S HN 0.132 nan 8.310 nan 0.000 0.497 181 R N 1.653 122.299 120.500 0.243 0.000 2.459 181 R HA 0.352 4.692 4.340 0.000 0.000 0.281 181 R C 0.563 176.974 176.300 0.184 0.000 1.050 181 R CA -0.895 55.319 56.100 0.190 0.000 1.055 181 R CB 0.422 30.785 30.300 0.104 0.000 1.045 181 R HN 0.506 nan 8.270 nan 0.000 0.495 185 E N -0.102 120.223 120.200 0.207 0.000 2.207 185 E HA 0.457 4.808 4.350 0.000 0.000 0.270 185 E C -0.917 175.790 176.600 0.179 0.000 0.927 185 E CA -1.074 55.447 56.400 0.202 0.000 0.799 185 E CB 1.562 31.327 29.700 0.109 0.000 1.172 185 E HN 0.519 nan 8.360 nan 0.000 0.404 186 W N 4.100 125.327 121.300 -0.121 0.000 2.287 186 W HA 0.298 4.958 4.660 0.000 0.000 0.313 186 W C -0.809 175.618 176.519 -0.153 0.000 1.267 186 W CA -0.253 56.926 57.345 -0.278 0.000 1.201 186 W CB 1.044 30.202 29.460 -0.503 0.000 1.196 186 W HN 0.366 nan 8.180 nan 0.000 0.536 187 D N 4.505 124.351 120.400 -0.924 0.000 2.440 187 D HA 0.056 4.697 4.640 0.000 0.000 0.239 187 D C 0.784 176.433 176.300 -1.086 0.000 1.084 187 D CA -0.207 53.357 54.000 -0.727 0.000 0.843 187 D CB 1.519 42.077 40.800 -0.403 0.000 1.097 187 D HN 0.496 nan 8.370 nan 0.000 0.531 188 E N 2.900 122.672 120.200 -0.713 0.000 2.209 188 E HA -0.190 4.160 4.350 0.000 0.000 0.196 188 E C 1.729 178.126 176.600 -0.338 0.000 0.993 188 E CA 1.078 57.217 56.400 -0.436 0.000 0.819 188 E CB 0.076 29.714 29.700 -0.103 0.000 0.745 188 E HN 0.479 nan 8.360 nan 0.000 0.477 189 R N 0.222 120.553 120.500 -0.282 0.000 2.193 189 R HA -0.166 4.174 4.340 0.000 0.000 0.229 189 R C 1.481 177.686 176.300 -0.158 0.000 1.110 189 R CA 1.509 57.509 56.100 -0.167 0.000 0.988 189 R CB -0.231 29.995 30.300 -0.124 0.000 0.871 189 R HN 0.135 nan 8.270 nan 0.000 0.458 190 D N 0.186 120.411 120.400 -0.292 0.000 2.182 190 D HA -0.168 4.472 4.640 0.000 0.000 0.201 190 D C 1.506 177.825 176.300 0.032 0.000 0.986 190 D CA 1.046 54.956 54.000 -0.150 0.000 0.847 190 D CB 0.099 40.717 40.800 -0.303 0.000 0.942 190 D HN 0.223 nan 8.370 nan 0.000 0.467 191 M N -0.214 119.302 119.600 -0.141 0.000 2.562 191 M HA -0.045 4.435 4.480 0.000 0.000 0.257 191 M C 1.980 178.391 176.300 0.185 0.000 1.099 191 M CA 0.222 55.526 55.300 0.007 0.000 1.099 191 M CB -0.168 32.380 32.600 -0.086 0.000 1.427 191 M HN -0.040 nan 8.290 nan 0.000 0.489 192 V N 0.410 120.394 119.914 0.117 0.000 2.231 192 V HA -0.237 3.884 4.120 0.000 0.000 0.248 192 V C 2.643 178.844 176.094 0.180 0.000 1.054 192 V CA 2.297 64.669 62.300 0.121 0.000 1.015 192 V CB -1.925 29.938 31.823 0.067 0.000 0.638 192 V HN 0.526 nan 8.190 nan 0.000 0.444 193 G N -0.721 108.200 108.800 0.201 0.000 2.599 193 G HA2 -0.386 3.574 3.960 0.000 0.000 0.219 193 G HA3 -0.386 3.574 3.960 0.000 0.000 0.219 193 G C 1.570 176.630 174.900 0.268 0.000 1.193 193 G CA 1.483 46.714 45.100 0.217 0.000 0.778 193 G HN 0.468 nan 8.290 nan 0.000 0.589 194 F N 2.349 122.459 119.950 0.267 0.000 2.069 194 F HA -0.024 4.503 4.527 0.000 0.000 0.298 194 F C 2.929 178.853 175.800 0.207 0.000 1.113 194 F CA 1.866 60.045 58.000 0.298 0.000 1.214 194 F CB -0.411 38.905 39.000 0.527 0.000 0.978 194 F HN 0.248 nan 8.300 nan 0.000 0.474 195 A N 0.376 123.437 122.820 0.401 0.000 1.908 195 A HA -0.268 4.052 4.320 0.000 0.000 0.218 195 A C 2.316 179.963 177.584 0.105 0.000 1.181 195 A CA 1.937 54.114 52.037 0.235 0.000 0.627 195 A CB -0.977 18.147 19.000 0.205 0.000 0.818 195 A HN 0.507 nan 8.150 nan 0.000 0.445 196 R N -0.456 120.106 120.500 0.104 0.000 2.105 196 R HA -0.087 4.253 4.340 0.000 0.000 0.239 196 R C 1.860 178.194 176.300 0.057 0.000 1.135 196 R CA 1.649 57.792 56.100 0.071 0.000 0.967 196 R CB -0.372 29.976 30.300 0.079 0.000 0.861 196 R HN 0.530 nan 8.270 nan 0.000 0.442 197 L N -0.281 120.962 121.223 0.033 0.000 2.095 197 L HA -0.087 4.253 4.340 0.000 0.000 0.204 197 L C 2.541 179.415 176.870 0.007 0.000 1.080 197 L CA 0.679 55.546 54.840 0.045 0.000 0.759 197 L CB -0.292 41.729 42.059 -0.063 0.000 0.914 197 L HN 0.267 nan 8.230 nan 0.000 0.439 198 M N 0.270 119.794 119.600 -0.127 0.000 2.117 198 M HA -0.153 4.328 4.480 0.000 0.000 0.262 198 M C 2.239 178.537 176.300 -0.004 0.000 1.065 198 M CA 2.115 57.353 55.300 -0.103 0.000 1.114 198 M CB -0.466 32.076 32.600 -0.096 0.000 1.361 198 M HN 0.180 nan 8.290 nan 0.000 0.408 199 A N -0.377 122.451 122.820 0.014 0.000 1.855 199 A HA 0.114 4.434 4.320 0.000 0.000 0.215 199 A C 2.346 179.922 177.584 -0.013 0.000 1.191 199 A CA 1.943 53.987 52.037 0.012 0.000 0.613 199 A CB -1.501 17.508 19.000 0.015 0.000 0.829 199 A HN 0.632 nan 8.150 nan 0.000 0.442 200 A N -2.023 120.768 122.820 -0.048 0.000 2.070 200 A HA -0.124 4.196 4.320 0.000 0.000 0.220 200 A C 1.717 179.120 177.584 -0.302 0.000 1.159 200 A CA 1.547 53.473 52.037 -0.186 0.000 0.656 200 A CB -0.539 18.318 19.000 -0.239 0.000 0.800 200 A HN 0.690 nan 8.150 nan 0.000 0.453 201 H N -1.747 117.338 119.070 0.025 0.000 3.398 201 H HA 0.070 4.626 4.556 0.000 0.000 0.260 201 H C 1.771 176.994 175.328 -0.175 0.000 1.189 201 H CA 0.437 56.447 56.048 -0.063 0.000 1.145 201 H CB 0.160 29.826 29.762 -0.159 0.000 1.599 201 H HN 0.680 nan 8.280 nan 0.000 0.615 202 R N 1.746 122.269 120.500 0.038 0.000 2.154 202 R HA -0.194 4.146 4.340 0.000 0.000 0.248 202 R C 1.563 177.806 176.300 -0.096 0.000 1.155 202 R CA 1.920 57.999 56.100 -0.034 0.000 0.979 202 R CB -1.073 29.233 30.300 0.010 0.000 0.869 202 R HN 0.485 nan 8.270 nan 0.000 0.452 203 H N -0.198 118.808 119.070 -0.108 0.000 2.524 203 H HA 0.120 4.676 4.556 0.000 0.000 0.282 203 H C 0.942 176.154 175.328 -0.194 0.000 1.016 203 H CA 0.976 56.937 56.048 -0.145 0.000 1.270 203 H CB -0.063 29.634 29.762 -0.108 0.000 1.394 203 H HN 0.454 nan 8.280 nan 0.000 0.568 204 E N 0.571 120.262 120.200 -0.849 0.000 2.307 204 E HA 0.207 4.557 4.350 0.000 0.000 0.195 204 E C 0.289 176.598 176.600 -0.486 0.000 0.975 204 E CA -0.202 55.793 56.400 -0.675 0.000 0.878 204 E CB 0.543 29.821 29.700 -0.704 0.000 0.845 204 E HN 0.352 nan 8.360 nan 0.000 0.488 205 I N 1.395 121.696 120.570 -0.448 0.000 2.379 205 I HA 0.033 4.203 4.170 0.000 0.000 0.290 205 I C 1.156 176.989 176.117 -0.473 0.000 1.063 205 I CA -0.343 60.711 61.300 -0.410 0.000 1.351 205 I CB 1.486 39.314 38.000 -0.288 0.000 1.410 205 I HN 0.053 nan 8.210 nan 0.000 0.505 206 A N 5.792 128.300 122.820 -0.519 0.000 1.872 206 A HA 0.373 4.694 4.320 0.000 0.000 0.214 206 A C 1.062 178.642 177.584 -0.007 0.000 1.187 206 A CA 1.418 53.263 52.037 -0.321 0.000 0.614 206 A CB 0.005 18.773 19.000 -0.387 0.000 0.826 206 A HN 0.775 nan 8.150 nan 0.000 0.442 207 A N -2.212 120.480 122.820 -0.214 0.000 2.612 207 A HA 0.570 4.890 4.320 0.000 0.000 0.293 207 A C -1.135 176.471 177.584 0.037 0.000 1.075 207 A CA -0.388 51.661 52.037 0.020 0.000 0.680 207 A CB 0.827 19.928 19.000 0.167 0.000 1.279 207 A HN 0.447 nan 8.150 nan 0.000 0.411 208 V N 1.846 121.793 119.914 0.056 0.000 2.439 208 V HA 0.531 4.651 4.120 0.000 0.000 0.282 208 V C -0.160 175.944 176.094 0.016 0.000 1.039 208 V CA -0.201 62.121 62.300 0.038 0.000 0.913 208 V CB 1.239 33.112 31.823 0.083 0.000 0.983 208 V HN 0.727 nan 8.190 nan 0.000 0.460 209 I N 7.216 127.760 120.570 -0.043 0.000 2.498 209 I HA 0.740 4.910 4.170 0.000 0.000 0.290 209 I C -0.892 175.153 176.117 -0.120 0.000 1.032 209 I CA -0.581 60.645 61.300 -0.123 0.000 1.073 209 I CB 1.289 39.127 38.000 -0.270 0.000 1.251 209 I HN 0.758 nan 8.210 nan 0.000 0.426 210 I N 2.621 123.176 120.570 -0.025 0.000 3.004 210 I HA 0.506 4.676 4.170 0.000 0.000 0.305 210 I C -1.500 174.775 176.117 0.265 0.000 1.312 210 I CA -0.905 60.466 61.300 0.120 0.000 0.992 210 I CB 2.294 40.257 38.000 -0.062 0.000 1.282 210 I HN 0.482 nan 8.210 nan 0.000 0.449 211 E N 4.328 124.738 120.200 0.351 0.000 2.167 211 E HA 0.352 4.703 4.350 0.000 0.000 0.284 211 E C -2.453 174.331 176.600 0.306 0.000 1.016 211 E CA -1.751 54.819 56.400 0.282 0.000 0.817 211 E CB 0.921 30.760 29.700 0.232 0.000 1.080 211 E HN 0.377 nan 8.360 nan 0.000 0.397 212 P HA 0.030 nan 4.420 nan 0.000 0.276 212 P C 0.602 177.865 177.300 -0.063 0.000 1.243 212 P CA -0.014 63.181 63.100 0.158 0.000 0.768 212 P CB 0.789 32.567 31.700 0.130 0.000 0.856 213 I N 0.345 120.615 120.570 -0.500 0.000 4.300 213 I HA -0.262 3.908 4.170 0.000 0.000 0.079 213 I C 0.315 176.041 176.117 -0.652 0.000 0.562 213 I CA 1.382 62.186 61.300 -0.827 0.000 1.126 213 I CB -1.971 35.806 38.000 -0.371 0.000 1.002 213 I HN 0.174 nan 8.210 nan 0.000 0.174 214 V N 3.424 123.194 119.914 -0.241 0.000 2.444 214 V HA 0.378 4.498 4.120 0.000 0.000 0.294 214 V C 0.267 176.387 176.094 0.043 0.000 1.022 214 V CA -0.515 61.726 62.300 -0.098 0.000 0.850 214 V CB 1.720 33.478 31.823 -0.108 0.000 0.992 214 V HN 0.224 nan 8.190 nan 0.000 0.426 215 Q N 3.019 122.876 119.800 0.095 0.000 2.390 215 Q HA 0.383 4.723 4.340 0.000 0.000 0.249 215 Q C 1.036 177.066 176.000 0.051 0.000 0.996 215 Q CA -0.022 55.855 55.803 0.123 0.000 0.899 215 Q CB 1.871 30.697 28.738 0.147 0.000 1.216 215 Q HN 0.948 nan 8.270 nan 0.000 0.465 216 G N 1.780 110.621 108.800 0.068 0.000 2.654 216 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 216 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 216 G C 1.182 176.152 174.900 0.117 0.000 1.310 216 G CA 0.723 45.837 45.100 0.022 0.000 0.866 216 G HN 0.641 nan 8.290 nan 0.000 0.558 217 A N 0.382 123.310 122.820 0.181 0.000 2.024 217 A HA 0.170 4.490 4.320 0.000 0.000 0.220 217 A C 2.412 180.009 177.584 0.022 0.000 1.164 217 A CA 1.958 53.971 52.037 -0.040 0.000 0.643 217 A CB -0.757 17.855 19.000 -0.647 0.000 0.806 217 A HN 0.706 nan 8.150 nan 0.000 0.451 218 G N -2.026 106.810 108.800 0.061 0.000 3.026 218 G HA2 0.381 4.341 3.960 0.000 0.000 0.208 218 G HA3 0.381 4.341 3.960 0.000 0.000 0.208 218 G C 0.843 175.778 174.900 0.059 0.000 1.169 218 G CA 0.646 45.786 45.100 0.068 0.000 0.788 218 G HN 1.554 nan 8.290 nan 0.000 0.533 219 G N -0.739 108.099 108.800 0.062 0.000 2.456 219 G HA2 -0.115 3.846 3.960 0.000 0.000 0.208 219 G HA3 -0.115 3.846 3.960 0.000 0.000 0.208 219 G C 0.569 175.432 174.900 -0.060 0.000 1.004 219 G CA -0.114 44.979 45.100 -0.010 0.000 0.791 219 G HN 0.330 nan 8.290 nan 0.000 0.537 220 M N -0.012 119.545 119.600 -0.072 0.000 2.206 220 M HA -0.153 4.327 4.480 0.000 0.000 0.197 220 M C 0.475 176.727 176.300 -0.080 0.000 0.375 220 M CA 1.003 56.221 55.300 -0.137 0.000 0.410 220 M CB -1.850 30.613 32.600 -0.229 0.000 1.204 220 M HN 0.632 nan 8.290 nan 0.000 0.932 221 R N 0.083 120.565 120.500 -0.030 0.000 2.349 221 R HA 0.693 5.034 4.340 0.000 0.000 0.299 221 R C 0.217 176.526 176.300 0.015 0.000 1.027 221 R CA -0.312 55.790 56.100 0.003 0.000 0.958 221 R CB 0.983 31.301 30.300 0.030 0.000 1.047 221 R HN 0.365 nan 8.270 nan 0.000 0.468 222 M N 4.369 123.971 119.600 0.004 0.000 2.043 222 M HA 0.284 4.765 4.480 0.000 0.000 0.322 222 M C -1.122 175.193 176.300 0.025 0.000 0.962 222 M CA -0.821 54.447 55.300 -0.053 0.000 0.927 222 M CB 0.924 33.477 32.600 -0.080 0.000 1.466 222 M HN 0.549 nan 8.290 nan 0.000 0.412 223 Y N -0.781 119.523 120.300 0.007 0.000 2.568 223 Y HA 0.579 5.129 4.550 0.000 0.000 0.327 223 Y C -0.074 175.930 175.900 0.173 0.000 1.163 223 Y CA -1.304 56.850 58.100 0.089 0.000 1.219 223 Y CB 0.536 39.013 38.460 0.029 0.000 1.308 223 Y HN 0.469 nan 8.280 nan 0.000 0.503 224 H N 2.630 122.000 119.070 0.500 0.000 2.803 224 H HA 0.171 4.727 4.556 0.000 0.000 0.330 224 H C -1.934 173.627 175.328 0.387 0.000 1.057 224 H CA -2.069 54.209 56.048 0.383 0.000 1.458 224 H CB 1.738 31.799 29.762 0.499 0.000 1.470 224 H HN 0.504 nan 8.280 nan 0.000 0.560 225 P HA -0.156 nan 4.420 nan 0.000 0.220 225 P C 1.250 178.721 177.300 0.285 0.000 1.144 225 P CA 1.044 64.273 63.100 0.216 0.000 0.800 225 P CB 0.374 32.110 31.700 0.060 0.000 0.772 226 E N -1.177 119.238 120.200 0.359 0.000 2.171 226 E HA -0.206 4.144 4.350 0.000 0.000 0.197 226 E C 1.627 178.076 176.600 -0.251 0.000 0.997 226 E CA 1.371 57.625 56.400 -0.244 0.000 0.810 226 E CB -0.971 28.061 29.700 -1.114 0.000 0.738 226 E HN 0.286 nan 8.360 nan 0.000 0.467 227 W N 0.301 121.636 121.300 0.057 0.000 2.338 227 W HA -0.156 4.504 4.660 0.000 0.000 0.304 227 W C 2.079 178.662 176.519 0.107 0.000 1.212 227 W CA 1.233 58.681 57.345 0.171 0.000 1.264 227 W CB -0.276 29.396 29.460 0.353 0.000 1.142 227 W HN 0.123 nan 8.180 nan 0.000 0.512 228 L N -0.063 121.414 121.223 0.423 0.000 2.056 228 L HA -0.223 4.117 4.340 0.000 0.000 0.207 228 L C 2.352 179.296 176.870 0.125 0.000 1.078 228 L CA 1.400 56.400 54.840 0.265 0.000 0.749 228 L CB -0.932 41.271 42.059 0.241 0.000 0.901 228 L HN -0.029 nan 8.230 nan 0.000 0.433 229 K N -0.358 120.079 120.400 0.061 0.000 2.009 229 K HA -0.173 4.147 4.320 0.000 0.000 0.210 229 K C 2.331 178.909 176.600 -0.036 0.000 1.049 229 K CA 1.212 57.491 56.287 -0.013 0.000 0.929 229 K CB -0.159 32.295 32.500 -0.077 0.000 0.714 229 K HN 0.159 nan 8.250 nan 0.000 0.440 230 R N 0.803 121.249 120.500 -0.090 0.000 2.081 230 R HA -0.067 4.273 4.340 0.000 0.000 0.235 230 R C 2.318 178.609 176.300 -0.016 0.000 1.131 230 R CA 1.240 57.284 56.100 -0.094 0.000 0.960 230 R CB -0.599 29.578 30.300 -0.205 0.000 0.856 230 R HN 0.298 nan 8.270 nan 0.000 0.436 231 I N 0.222 120.802 120.570 0.017 0.000 2.252 231 I HA -0.262 3.908 4.170 0.000 0.000 0.245 231 I C 2.662 178.825 176.117 0.077 0.000 1.102 231 I CA 1.026 62.346 61.300 0.033 0.000 1.385 231 I CB -0.216 37.796 38.000 0.019 0.000 1.064 231 I HN 0.033 nan 8.210 nan 0.000 0.414 232 R N 1.628 122.164 120.500 0.061 0.000 2.083 232 R HA -0.207 4.133 4.340 0.000 0.000 0.237 232 R C 2.078 178.408 176.300 0.049 0.000 1.137 232 R CA 1.782 57.913 56.100 0.052 0.000 0.951 232 R CB -0.261 30.062 30.300 0.038 0.000 0.851 232 R HN 0.017 nan 8.270 nan 0.000 0.434 233 K N 0.306 120.729 120.400 0.037 0.000 2.032 233 K HA -0.039 4.281 4.320 0.000 0.000 0.209 233 K C 2.010 178.647 176.600 0.063 0.000 1.048 233 K CA 1.857 58.165 56.287 0.036 0.000 0.927 233 K CB -0.493 32.016 32.500 0.015 0.000 0.712 233 K HN 0.242 nan 8.250 nan 0.000 0.441 234 I N 0.087 120.710 120.570 0.089 0.000 2.208 234 I HA -0.393 3.778 4.170 0.000 0.000 0.245 234 I C 2.118 178.313 176.117 0.130 0.000 1.097 234 I CA 1.097 62.477 61.300 0.134 0.000 1.363 234 I CB -0.283 37.857 38.000 0.233 0.000 1.051 234 I HN 0.153 nan 8.210 nan 0.000 0.413 235 C N 0.463 119.839 119.300 0.127 0.000 2.429 235 C HA -0.167 4.293 4.460 0.000 0.000 0.277 235 C C 2.469 177.514 174.990 0.092 0.000 1.262 235 C CA 0.756 59.840 59.018 0.111 0.000 1.733 235 C CB -1.018 26.781 27.740 0.099 0.000 2.010 235 C HN 0.522 nan 8.230 nan 0.000 0.483 236 D N 0.175 120.619 120.400 0.073 0.000 2.123 236 D HA -0.144 4.496 4.640 0.000 0.000 0.196 236 D C 2.289 178.630 176.300 0.068 0.000 0.992 236 D CA 1.079 55.116 54.000 0.062 0.000 0.833 236 D CB -0.512 40.315 40.800 0.045 0.000 0.954 236 D HN 0.506 nan 8.370 nan 0.000 0.455 237 R N 0.725 121.265 120.500 0.066 0.000 2.073 237 R HA -0.115 4.225 4.340 0.000 0.000 0.234 237 R C 1.446 177.786 176.300 0.067 0.000 1.134 237 R CA 1.220 57.357 56.100 0.061 0.000 0.952 237 R CB 0.144 30.480 30.300 0.060 0.000 0.850 237 R HN 0.061 nan 8.270 nan 0.000 0.433 238 E N -0.801 119.444 120.200 0.074 0.000 2.478 238 E HA 0.056 4.406 4.350 0.000 0.000 0.194 238 E C 0.886 177.539 176.600 0.089 0.000 1.045 238 E CA 0.766 57.204 56.400 0.063 0.000 0.868 238 E CB 0.575 30.303 29.700 0.047 0.000 0.885 238 E HN 0.641 nan 8.360 nan 0.000 0.505 239 G N 2.076 110.953 108.800 0.127 0.000 2.176 239 G HA2 -0.295 3.666 3.960 0.000 0.000 0.252 239 G HA3 -0.295 3.666 3.960 0.000 0.000 0.252 239 G C 0.243 175.338 174.900 0.325 0.000 1.024 239 G CA 0.229 45.457 45.100 0.214 0.000 0.755 239 G HN 0.265 nan 8.290 nan 0.000 0.507 240 I N 0.429 121.127 120.570 0.213 0.000 2.440 240 I HA 0.355 4.525 4.170 0.000 0.000 0.294 240 I C 1.195 177.430 176.117 0.197 0.000 0.995 240 I CA -0.921 60.519 61.300 0.233 0.000 1.306 240 I CB 1.101 39.157 38.000 0.094 0.000 1.407 240 I HN -0.033 nan 8.210 nan 0.000 0.501 241 L N 5.906 127.261 121.223 0.219 0.000 2.426 241 L HA 0.201 4.542 4.340 0.000 0.000 0.271 241 L C -0.373 176.522 176.870 0.042 0.000 1.169 241 L CA -0.336 54.532 54.840 0.046 0.000 0.836 241 L CB 0.744 42.775 42.059 -0.047 0.000 1.112 241 L HN 0.393 nan 8.230 nan 0.000 0.465 242 L N 4.977 126.202 121.223 0.003 0.000 2.287 242 L HA 0.521 4.861 4.340 0.000 0.000 0.287 242 L C -0.523 176.334 176.870 -0.022 0.000 1.022 242 L CA 0.115 54.961 54.840 0.009 0.000 0.814 242 L CB 1.170 43.240 42.059 0.018 0.000 1.217 242 L HN 0.344 nan 8.230 nan 0.000 0.420 243 I N 5.337 125.897 120.570 -0.017 0.000 2.339 243 I HA 0.576 4.746 4.170 0.000 0.000 0.290 243 I C -0.034 176.060 176.117 -0.038 0.000 0.994 243 I CA -0.488 60.785 61.300 -0.045 0.000 1.191 243 I CB 1.680 39.647 38.000 -0.056 0.000 1.343 243 I HN 0.779 nan 8.210 nan 0.000 0.458 244 A N 4.824 127.623 122.820 -0.035 0.000 2.258 244 A HA 0.374 4.694 4.320 0.000 0.000 0.316 244 A C -0.651 176.936 177.584 0.006 0.000 1.279 244 A CA -0.509 51.529 52.037 0.001 0.000 0.876 244 A CB 0.574 19.572 19.000 -0.004 0.000 1.170 244 A HN 0.653 nan 8.150 nan 0.000 0.520 245 D N 2.590 123.029 120.400 0.065 0.000 2.411 245 D HA 0.173 4.813 4.640 0.000 0.000 0.225 245 D C 0.037 176.410 176.300 0.121 0.000 1.156 245 D CA 0.153 54.215 54.000 0.103 0.000 0.874 245 D CB 0.595 41.532 40.800 0.229 0.000 1.034 245 D HN 0.566 nan 8.370 nan 0.000 0.502 246 E N 3.780 124.031 120.200 0.086 0.000 2.815 246 E HA 0.122 4.472 4.350 0.000 0.000 0.211 246 E C 1.396 178.080 176.600 0.140 0.000 1.004 246 E CA -0.202 56.262 56.400 0.107 0.000 1.173 246 E CB 0.634 30.380 29.700 0.076 0.000 1.163 246 E HN 0.578 nan 8.360 nan 0.000 0.449 247 I N 0.917 121.582 120.570 0.159 0.000 2.315 247 I HA -0.241 3.929 4.170 0.000 0.000 0.248 247 I C 2.342 178.607 176.117 0.247 0.000 1.117 247 I CA 1.336 62.749 61.300 0.188 0.000 1.404 247 I CB 0.074 38.165 38.000 0.152 0.000 1.071 247 I HN 0.152 nan 8.210 nan 0.000 0.419 248 A N -0.060 122.929 122.820 0.281 0.000 1.984 248 A HA -0.079 4.242 4.320 0.000 0.000 0.214 248 A C 2.305 180.033 177.584 0.240 0.000 1.173 248 A CA 1.395 53.662 52.037 0.383 0.000 0.673 248 A CB -0.746 18.564 19.000 0.518 0.000 0.830 248 A HN 0.445 nan 8.150 nan 0.000 0.453 249 T N -2.409 112.243 114.554 0.165 0.000 3.054 249 T HA 0.288 4.638 4.350 0.000 0.000 0.259 249 T C 1.186 175.931 174.700 0.076 0.000 1.092 249 T CA 0.438 62.599 62.100 0.101 0.000 1.121 249 T CB -0.534 68.387 68.868 0.088 0.000 0.912 249 T HN 0.429 nan 8.240 nan 0.000 0.489 250 G N 0.711 109.566 108.800 0.092 0.000 2.559 250 G HA2 0.357 4.317 3.960 0.000 0.000 0.235 250 G HA3 0.357 4.317 3.960 0.000 0.000 0.235 250 G C -0.262 174.557 174.900 -0.135 0.000 1.266 250 G CA -0.642 44.416 45.100 -0.071 0.000 0.847 250 G HN 0.382 nan 8.290 nan 0.000 0.583 251 F N -0.533 119.218 119.950 -0.332 0.000 3.056 251 F HA -0.198 4.329 4.527 0.000 0.000 0.301 251 F C 1.747 177.258 175.800 -0.482 0.000 0.907 251 F CA 1.483 59.201 58.000 -0.470 0.000 1.113 251 F CB -1.513 37.342 39.000 -0.242 0.000 1.123 251 F HN 1.674 nan 8.300 nan 0.000 0.661 252 G N -1.264 107.211 108.800 -0.542 0.000 2.232 252 G HA2 -0.408 3.553 3.960 0.000 0.000 0.226 252 G HA3 -0.408 3.553 3.960 0.000 0.000 0.226 252 G C 0.952 175.798 174.900 -0.091 0.000 0.996 252 G CA 0.514 45.281 45.100 -0.554 0.000 0.626 252 G HN 0.582 nan 8.290 nan 0.000 0.509 253 R N 1.514 122.060 120.500 0.078 0.000 2.119 253 R HA -0.096 4.244 4.340 0.000 0.000 0.246 253 R C 2.658 178.994 176.300 0.060 0.000 1.146 253 R CA 3.079 59.263 56.100 0.140 0.000 0.962 253 R CB -1.011 29.373 30.300 0.140 0.000 0.863 253 R HN 0.813 nan 8.270 nan 0.000 0.442 254 T N -3.829 110.764 114.554 0.066 0.000 3.188 254 T HA 0.333 4.683 4.350 0.000 0.000 0.250 254 T C 1.148 175.959 174.700 0.185 0.000 1.077 254 T CA 0.377 62.537 62.100 0.100 0.000 0.967 254 T CB 0.370 69.316 68.868 0.130 0.000 1.006 254 T HN 0.450 nan 8.240 nan 0.000 0.552 255 G N 0.789 109.678 108.800 0.148 0.000 2.232 255 G HA2 -0.172 3.789 3.960 0.000 0.000 0.226 255 G HA3 -0.172 3.789 3.960 0.000 0.000 0.226 255 G C -0.069 174.957 174.900 0.211 0.000 0.996 255 G CA -0.142 45.059 45.100 0.168 0.000 0.626 255 G HN 0.657 nan 8.290 nan 0.000 0.509 256 K N -0.560 119.916 120.400 0.127 0.000 2.340 256 K HA 0.660 4.981 4.320 0.000 0.000 0.244 256 K C 0.937 177.507 176.600 -0.051 0.000 0.973 256 K CA -0.884 55.442 56.287 0.064 0.000 0.828 256 K CB 2.164 34.490 32.500 -0.289 0.000 1.226 256 K HN 0.028 nan 8.250 nan 0.000 0.437 257 L N 1.101 122.262 121.223 -0.104 0.000 2.013 257 L HA -0.027 4.313 4.340 0.000 0.000 0.212 257 L C -0.248 175.986 176.870 -1.060 0.000 1.073 257 L CA 1.994 56.409 54.840 -0.707 0.000 0.753 257 L CB -0.030 41.702 42.059 -0.545 0.000 0.890 257 L HN 0.419 nan 8.230 nan 0.000 0.432 258 F N -2.598 117.256 119.950 -0.160 0.000 2.565 258 F HA 0.526 5.054 4.527 0.000 0.000 0.313 258 F C 0.993 176.741 175.800 -0.088 0.000 1.091 258 F CA -0.573 57.331 58.000 -0.160 0.000 0.915 258 F CB 1.092 39.992 39.000 -0.167 0.000 1.208 258 F HN -0.180 nan 8.300 nan 0.000 0.453 259 A N 0.424 123.333 122.820 0.148 0.000 2.019 259 A HA -0.141 4.180 4.320 0.000 0.000 0.219 259 A C 1.992 179.682 177.584 0.176 0.000 1.164 259 A CA 1.738 53.890 52.037 0.192 0.000 0.644 259 A CB -1.185 17.909 19.000 0.156 0.000 0.805 259 A HN 0.902 nan 8.150 nan 0.000 0.449 260 C N -0.403 118.977 119.300 0.133 0.000 2.403 260 C HA -0.134 4.326 4.460 0.000 0.000 0.282 260 C C 2.493 177.527 174.990 0.073 0.000 1.297 260 C CA 1.264 60.342 59.018 0.099 0.000 1.785 260 C CB -1.382 26.394 27.740 0.060 0.000 1.963 260 C HN 0.675 nan 8.230 nan 0.000 0.507 261 E N -0.675 119.545 120.200 0.033 0.000 2.153 261 E HA -0.187 4.163 4.350 0.000 0.000 0.194 261 E C 1.809 178.370 176.600 -0.065 0.000 0.988 261 E CA 0.793 57.173 56.400 -0.032 0.000 0.811 261 E CB -0.205 29.445 29.700 -0.084 0.000 0.746 261 E HN 0.741 nan 8.360 nan 0.000 0.466 262 H N -0.566 118.518 119.070 0.023 0.000 2.457 262 H HA -0.059 4.498 4.556 0.000 0.000 0.297 262 H C 1.487 176.816 175.328 0.002 0.000 1.092 262 H CA 1.426 57.473 56.048 -0.002 0.000 1.309 262 H CB 0.195 29.940 29.762 -0.027 0.000 1.382 262 H HN 0.174 nan 8.280 nan 0.000 0.535 263 A N -0.057 122.836 122.820 0.122 0.000 2.469 263 A HA 0.143 4.463 4.320 0.000 0.000 0.245 263 A C 0.473 178.085 177.584 0.048 0.000 1.221 263 A CA -0.119 51.968 52.037 0.083 0.000 0.946 263 A CB 0.437 19.499 19.000 0.104 0.000 1.049 263 A HN 0.311 nan 8.150 nan 0.000 0.529 264 E N -1.122 119.100 120.200 0.037 0.000 2.252 264 E HA -0.213 4.137 4.350 0.000 0.000 0.218 264 E C -0.778 175.835 176.600 0.022 0.000 1.253 264 E CA 0.557 56.970 56.400 0.022 0.000 0.705 264 E CB -1.297 28.411 29.700 0.013 0.000 1.172 264 E HN 0.545 nan 8.360 nan 0.000 0.369 265 I N -0.039 120.549 120.570 0.029 0.000 2.892 265 I HA 0.642 4.812 4.170 0.000 0.000 0.306 265 I C -0.662 175.461 176.117 0.011 0.000 1.078 265 I CA -0.497 60.817 61.300 0.023 0.000 1.032 265 I CB 1.988 40.012 38.000 0.040 0.000 1.229 265 I HN 0.136 nan 8.210 nan 0.000 0.435 266 A N 6.313 129.131 122.820 -0.003 0.000 2.330 266 A HA 0.891 5.211 4.320 0.000 0.000 0.313 266 A C -2.722 174.843 177.584 -0.031 0.000 1.124 266 A CA -1.356 50.666 52.037 -0.026 0.000 0.774 266 A CB 0.771 19.752 19.000 -0.033 0.000 1.198 266 A HN 0.401 nan 8.150 nan 0.000 0.465 267 P HA 0.296 nan 4.420 nan 0.000 0.278 267 P C -0.366 176.888 177.300 -0.077 0.000 1.266 267 P CA -0.252 62.817 63.100 -0.051 0.000 0.807 267 P CB 1.099 32.765 31.700 -0.057 0.000 1.094 268 D N -0.375 119.973 120.400 -0.087 0.000 2.162 268 D HA 0.083 4.723 4.640 0.000 0.000 0.203 268 D C 0.626 176.837 176.300 -0.148 0.000 0.967 268 D CA 1.382 55.304 54.000 -0.130 0.000 0.840 268 D CB 0.333 41.036 40.800 -0.160 0.000 0.972 268 D HN 0.327 nan 8.370 nan 0.000 0.482 269 I N 0.918 121.411 120.570 -0.128 0.000 2.569 269 I HA 0.219 4.390 4.170 0.000 0.000 0.290 269 I C -1.265 174.783 176.117 -0.115 0.000 1.088 269 I CA -0.919 60.300 61.300 -0.134 0.000 1.047 269 I CB 2.956 40.870 38.000 -0.142 0.000 1.237 269 I HN -0.230 nan 8.210 nan 0.000 0.421 270 L N 6.872 128.021 121.223 -0.123 0.000 2.356 270 L HA 0.618 4.958 4.340 0.000 0.000 0.277 270 L C -1.027 175.787 176.870 -0.095 0.000 0.996 270 L CA -0.125 54.638 54.840 -0.130 0.000 0.822 270 L CB 1.290 43.225 42.059 -0.206 0.000 1.256 270 L HN 0.659 nan 8.230 nan 0.000 0.413 271 C N 5.764 125.028 119.300 -0.060 0.000 2.319 271 C HA 0.718 5.178 4.460 0.000 0.000 0.335 271 C C -0.047 174.956 174.990 0.022 0.000 1.274 271 C CA -0.906 58.102 59.018 -0.015 0.000 1.806 271 C CB 0.197 27.934 27.740 -0.005 0.000 2.329 271 C HN 0.716 nan 8.230 nan 0.000 0.524 272 L N 2.643 123.905 121.223 0.066 0.000 2.371 272 L HA 0.908 5.248 4.340 0.000 0.000 0.262 272 L C 0.540 177.523 176.870 0.188 0.000 1.006 272 L CA 0.020 54.953 54.840 0.154 0.000 0.818 272 L CB 2.161 44.345 42.059 0.208 0.000 1.354 272 L HN 0.911 nan 8.230 nan 0.000 0.415 273 G N -0.148 108.801 108.800 0.248 0.000 2.604 273 G HA2 0.316 4.276 3.960 0.000 0.000 0.242 273 G HA3 0.316 4.276 3.960 0.000 0.000 0.242 273 G C -0.460 174.548 174.900 0.181 0.000 1.208 273 G CA -0.135 45.071 45.100 0.176 0.000 0.912 273 G HN 0.535 nan 8.290 nan 0.000 0.502 274 K N -0.958 119.511 120.400 0.115 0.000 5.240 274 K HA -0.408 3.912 4.320 0.000 0.000 0.296 274 K C 2.265 178.885 176.600 0.033 0.000 0.663 274 K CA 2.596 58.939 56.287 0.093 0.000 1.051 274 K CB -1.429 31.163 32.500 0.153 0.000 0.767 274 K HN 0.993 nan 8.250 nan 0.000 0.850 275 A N 0.961 123.818 122.820 0.062 0.000 2.178 275 A HA -0.084 4.237 4.320 0.000 0.000 0.218 275 A C 1.943 179.305 177.584 -0.370 0.000 1.157 275 A CA 1.561 53.532 52.037 -0.111 0.000 0.689 275 A CB -0.379 18.604 19.000 -0.029 0.000 0.787 275 A HN 0.405 nan 8.150 nan 0.000 0.465 276 L N 0.650 121.666 121.223 -0.345 0.000 2.051 276 L HA -0.167 4.173 4.340 0.000 0.000 0.214 276 L C 2.255 178.910 176.870 -0.359 0.000 1.076 276 L CA 2.839 57.345 54.840 -0.557 0.000 0.758 276 L CB -0.744 41.244 42.059 -0.117 0.000 0.890 276 L HN 0.518 nan 8.230 nan 0.000 0.433 277 T N -3.992 110.444 114.554 -0.196 0.000 3.145 277 T HA 0.434 4.784 4.350 0.000 0.000 0.255 277 T C 1.219 175.849 174.700 -0.116 0.000 1.039 277 T CA 0.114 62.135 62.100 -0.132 0.000 0.928 277 T CB -0.312 68.509 68.868 -0.079 0.000 1.029 277 T HN 0.662 nan 8.240 nan 0.000 0.554 278 G N 1.109 109.816 108.800 -0.155 0.000 2.198 278 G HA2 0.057 4.017 3.960 0.000 0.000 0.260 278 G HA3 0.057 4.017 3.960 0.000 0.000 0.260 278 G C 1.027 175.835 174.900 -0.153 0.000 1.025 278 G CA 0.157 45.180 45.100 -0.129 0.000 0.769 278 G HN 1.806 nan 8.290 nan 0.000 0.507 279 G N -1.560 107.165 108.800 -0.126 0.000 2.249 279 G HA2 -0.047 3.913 3.960 0.000 0.000 0.273 279 G HA3 -0.047 3.913 3.960 0.000 0.000 0.273 279 G C 1.259 176.123 174.900 -0.059 0.000 1.036 279 G CA 1.829 46.877 45.100 -0.087 0.000 0.824 279 G HN 2.175 nan 8.290 nan 0.000 0.504 280 T N -3.237 111.287 114.554 -0.049 0.000 3.039 280 T HA 0.539 4.889 4.350 0.000 0.000 0.250 280 T C 1.058 175.747 174.700 -0.018 0.000 1.052 280 T CA 1.410 63.495 62.100 -0.025 0.000 1.125 280 T CB 0.038 68.889 68.868 -0.028 0.000 0.908 280 T HN 1.538 nan 8.240 nan 0.000 0.473 281 M N -0.812 118.771 119.600 -0.028 0.000 2.895 281 M HA 0.489 4.969 4.480 0.000 0.000 0.271 281 M C -1.224 175.056 176.300 -0.033 0.000 1.174 281 M CA -0.939 54.341 55.300 -0.033 0.000 0.816 281 M CB 1.563 34.136 32.600 -0.046 0.000 1.647 281 M HN -0.183 nan 8.290 nan 0.000 0.506 282 T N 1.433 115.964 114.554 -0.038 0.000 2.897 282 T HA 0.699 5.049 4.350 0.000 0.000 0.294 282 T C -1.186 173.497 174.700 -0.028 0.000 1.004 282 T CA -0.134 61.950 62.100 -0.027 0.000 1.106 282 T CB 0.403 69.254 68.868 -0.029 0.000 0.949 282 T HN 0.607 nan 8.240 nan 0.000 0.520 283 L N 3.736 124.954 121.223 -0.008 0.000 2.724 283 L HA 0.670 5.010 4.340 0.000 0.000 0.258 283 L C -1.125 175.764 176.870 0.031 0.000 0.967 283 L CA -0.212 54.629 54.840 0.003 0.000 0.891 283 L CB 1.996 44.049 42.059 -0.011 0.000 1.456 283 L HN 0.801 nan 8.230 nan 0.000 0.416 284 S N 1.847 117.576 115.700 0.050 0.000 2.651 284 S HA 1.054 5.524 4.470 0.000 0.000 0.279 284 S C -1.119 173.535 174.600 0.090 0.000 1.148 284 S CA -0.182 58.065 58.200 0.078 0.000 0.837 284 S CB 1.858 65.104 63.200 0.077 0.000 1.138 284 S HN 1.598 nan 8.310 nan 0.000 0.478 285 A N 0.573 123.457 122.820 0.107 0.000 2.520 285 A HA 0.802 5.122 4.320 0.000 0.000 0.298 285 A C -0.768 176.867 177.584 0.085 0.000 1.051 285 A CA -0.726 51.375 52.037 0.107 0.000 0.690 285 A CB 1.718 20.780 19.000 0.103 0.000 1.281 285 A HN 0.804 nan 8.150 nan 0.000 0.402 286 T N 2.526 117.137 114.554 0.095 0.000 2.833 286 T HA 0.535 4.885 4.350 0.000 0.000 0.297 286 T C -0.775 173.929 174.700 0.007 0.000 1.015 286 T CA -0.103 62.011 62.100 0.023 0.000 0.963 286 T CB 0.326 69.187 68.868 -0.012 0.000 0.955 286 T HN 0.406 nan 8.240 nan 0.000 0.449 287 L N 2.777 123.973 121.223 -0.045 0.000 2.325 287 L HA 0.792 5.132 4.340 0.000 0.000 0.279 287 L C 0.703 177.511 176.870 -0.103 0.000 1.054 287 L CA 0.025 54.827 54.840 -0.062 0.000 0.804 287 L CB 1.880 43.887 42.059 -0.086 0.000 1.200 287 L HN 0.614 nan 8.230 nan 0.000 0.436 288 T N -0.462 114.030 114.554 -0.104 0.000 2.696 288 T HA 0.607 4.957 4.350 0.000 0.000 0.291 288 T C -0.499 174.132 174.700 -0.114 0.000 1.095 288 T CA -0.059 61.959 62.100 -0.137 0.000 1.026 288 T CB 1.363 70.117 68.868 -0.191 0.000 1.390 288 T HN 0.746 nan 8.240 nan 0.000 0.513 289 T N -0.368 114.106 114.554 -0.132 0.000 2.881 289 T HA 0.443 4.793 4.350 0.000 0.000 0.278 289 T C 1.209 175.859 174.700 -0.084 0.000 0.982 289 T CA -0.472 61.567 62.100 -0.102 0.000 0.989 289 T CB 1.155 69.956 68.868 -0.111 0.000 1.058 289 T HN 0.619 nan 8.240 nan 0.000 0.529 290 R N 0.391 120.859 120.500 -0.054 0.000 2.081 290 R HA -0.103 4.237 4.340 0.000 0.000 0.235 290 R C 2.350 178.634 176.300 -0.027 0.000 1.131 290 R CA 1.975 58.055 56.100 -0.033 0.000 0.960 290 R CB -0.688 29.599 30.300 -0.021 0.000 0.856 290 R HN 0.896 nan 8.270 nan 0.000 0.436 291 E N -0.328 119.853 120.200 -0.031 0.000 2.070 291 E HA -0.170 4.180 4.350 0.000 0.000 0.197 291 E C 1.692 178.313 176.600 0.035 0.000 1.004 291 E CA 2.139 58.540 56.400 0.002 0.000 0.805 291 E CB -0.330 29.364 29.700 -0.010 0.000 0.744 291 E HN 0.193 nan 8.360 nan 0.000 0.451 292 V N 0.901 120.764 119.914 -0.086 0.000 2.270 292 V HA -0.205 3.915 4.120 0.000 0.000 0.245 292 V C 2.475 178.555 176.094 -0.023 0.000 1.043 292 V CA 1.868 64.097 62.300 -0.118 0.000 1.014 292 V CB -1.127 30.489 31.823 -0.344 0.000 0.645 292 V HN 0.502 nan 8.190 nan 0.000 0.447 293 A N -0.355 122.426 122.820 -0.065 0.000 1.908 293 A HA -0.268 4.053 4.320 0.000 0.000 0.218 293 A C 2.172 179.762 177.584 0.009 0.000 1.181 293 A CA 2.149 54.162 52.037 -0.041 0.000 0.627 293 A CB -0.443 18.535 19.000 -0.036 0.000 0.818 293 A HN 0.670 nan 8.150 nan 0.000 0.445 294 E N -1.149 119.058 120.200 0.013 0.000 2.051 294 E HA -0.086 4.264 4.350 0.000 0.000 0.189 294 E C 2.137 178.747 176.600 0.017 0.000 0.979 294 E CA 1.289 57.700 56.400 0.017 0.000 0.803 294 E CB -0.397 29.309 29.700 0.009 0.000 0.761 294 E HN 0.564 nan 8.360 nan 0.000 0.451 295 T N 2.061 116.628 114.554 0.021 0.000 2.624 295 T HA -0.216 4.134 4.350 0.000 0.000 0.268 295 T C 2.020 176.709 174.700 -0.017 0.000 1.041 295 T CA 1.327 63.413 62.100 -0.024 0.000 1.159 295 T CB -0.337 68.501 68.868 -0.051 0.000 0.863 295 T HN 0.093 nan 8.240 nan 0.000 0.434 296 I N 0.794 121.385 120.570 0.035 0.000 2.127 296 I HA -0.198 3.972 4.170 0.000 0.000 0.241 296 I C 2.760 178.918 176.117 0.069 0.000 1.075 296 I CA 1.181 62.520 61.300 0.065 0.000 1.334 296 I CB -0.387 37.679 38.000 0.111 0.000 1.040 296 I HN 0.162 nan 8.210 nan 0.000 0.405 297 S N 0.640 116.381 115.700 0.069 0.000 2.419 297 S HA -0.127 4.343 4.470 0.000 0.000 0.235 297 S C 1.441 176.062 174.600 0.034 0.000 1.019 297 S CA 1.108 59.346 58.200 0.063 0.000 0.982 297 S CB -0.335 62.900 63.200 0.058 0.000 0.789 297 S HN 0.415 nan 8.310 nan 0.000 0.490 298 N N 1.128 119.838 118.700 0.017 0.000 2.383 298 N HA 0.149 4.889 4.740 0.000 0.000 0.192 298 N C 0.561 176.068 175.510 -0.004 0.000 1.141 298 N CA 0.102 53.153 53.050 0.002 0.000 0.851 298 N CB 0.124 38.606 38.487 -0.009 0.000 0.976 298 N HN 0.365 nan 8.380 nan 0.000 0.465 299 G N -0.010 108.791 108.800 0.003 0.000 2.642 299 G HA2 0.194 4.154 3.960 0.000 0.000 0.291 299 G HA3 0.194 4.154 3.960 0.000 0.000 0.291 299 G C 0.655 175.560 174.900 0.008 0.000 1.345 299 G CA -0.358 44.740 45.100 -0.003 0.000 1.043 299 G HN 0.035 nan 8.290 nan 0.000 0.528 300 E N -0.423 119.782 120.200 0.008 0.000 2.118 300 E HA -0.138 4.212 4.350 0.000 0.000 0.195 300 E C 2.591 179.199 176.600 0.012 0.000 0.992 300 E CA 1.189 57.594 56.400 0.008 0.000 0.804 300 E CB -0.109 29.596 29.700 0.007 0.000 0.741 300 E HN 0.405 nan 8.360 nan 0.000 0.458 301 A N 0.345 123.176 122.820 0.019 0.000 2.119 301 A HA 0.105 4.425 4.320 0.000 0.000 0.217 301 A C 2.051 179.649 177.584 0.024 0.000 1.153 301 A CA 1.111 53.160 52.037 0.018 0.000 0.692 301 A CB -0.613 18.400 19.000 0.021 0.000 0.799 301 A HN 0.386 nan 8.150 nan 0.000 0.458 302 G N -2.030 106.787 108.800 0.029 0.000 2.189 302 G HA2 -0.341 3.619 3.960 0.000 0.000 0.267 302 G HA3 -0.341 3.619 3.960 0.000 0.000 0.267 302 G C 0.585 175.515 174.900 0.050 0.000 0.975 302 G CA 0.891 46.010 45.100 0.031 0.000 0.644 302 G HN 2.112 nan 8.290 nan 0.000 0.537 303 C N -3.211 116.132 119.300 0.071 0.000 3.259 303 C HA 0.695 5.155 4.460 0.000 0.000 0.344 303 C C -0.201 174.890 174.990 0.169 0.000 1.401 303 C CA -1.496 57.590 59.018 0.114 0.000 1.219 303 C CB 0.694 28.490 27.740 0.094 0.000 1.521 303 C HN 1.256 nan 8.230 nan 0.000 0.455 304 F N 2.782 122.774 119.950 0.070 0.000 2.472 304 F HA 0.571 5.099 4.527 0.001 0.000 0.364 304 F C 0.653 176.509 175.800 0.093 0.000 1.090 304 F CA -0.961 57.078 58.000 0.065 0.000 1.188 304 F CB 0.794 39.828 39.000 0.057 0.000 1.105 304 F HN 0.579 nan 8.300 nan 0.000 0.536 305 M N 7.560 126.832 119.600 -0.548 0.000 3.422 305 M HA 0.138 4.619 4.480 0.000 0.000 0.248 305 M C -1.044 174.928 176.300 -0.547 0.000 1.433 305 M CA 0.493 55.549 55.300 -0.407 0.000 1.592 305 M CB -1.523 30.945 32.600 -0.219 0.000 1.078 305 M HN 0.737 nan 8.290 nan 0.000 0.578 306 H N -1.051 117.690 119.070 -0.548 0.000 3.064 306 H HA 0.608 5.165 4.556 0.001 0.000 0.352 306 H C -0.461 174.954 175.328 0.146 0.000 1.260 306 H CA -0.240 55.637 56.048 -0.285 0.000 1.160 306 H CB 1.959 31.386 29.762 -0.558 0.000 1.879 306 H HN 0.534 nan 8.280 nan 0.000 0.544 307 G N 3.598 112.605 108.800 0.345 0.000 3.561 307 G HA2 0.158 4.118 3.960 0.000 0.000 0.248 307 G HA3 0.158 4.118 3.960 0.000 0.000 0.248 307 G C -3.091 171.933 174.900 0.206 0.000 3.909 307 G CA -0.843 44.450 45.100 0.323 0.000 0.463 307 G HN 0.410 nan 8.290 nan 0.000 0.270 308 P HA 0.370 nan 4.420 nan 0.000 0.274 308 P C 1.357 178.733 177.300 0.127 0.000 1.231 308 P CA -0.209 63.006 63.100 0.191 0.000 0.790 308 P CB 0.984 32.839 31.700 0.258 0.000 0.951 309 T N 0.339 114.933 114.554 0.067 0.000 2.665 309 T HA -0.154 4.196 4.350 0.000 0.000 0.268 309 T C 0.890 175.501 174.700 -0.149 0.000 1.035 309 T CA 1.695 63.743 62.100 -0.085 0.000 1.151 309 T CB -0.654 68.073 68.868 -0.235 0.000 0.862 309 T HN 0.356 nan 8.240 nan 0.000 0.438 310 F N 0.497 120.459 119.950 0.020 0.000 2.660 310 F HA 0.433 4.961 4.527 0.000 0.000 0.302 310 F C 0.801 176.616 175.800 0.025 0.000 1.103 310 F CA -0.638 57.333 58.000 -0.047 0.000 1.340 310 F CB -0.558 38.321 39.000 -0.201 0.000 1.048 310 F HN 0.101 nan 8.300 nan 0.000 0.551 311 M N 0.536 120.225 119.600 0.149 0.000 2.286 311 M HA 0.125 4.605 4.480 0.000 0.000 0.365 311 M C 1.325 177.473 176.300 -0.252 0.000 1.443 311 M CA 1.479 56.769 55.300 -0.015 0.000 0.951 311 M CB 0.049 32.649 32.600 0.000 0.000 1.961 311 M HN 0.511 nan 8.290 nan 0.000 0.468 312 G N 3.447 112.003 108.800 -0.407 0.000 2.153 312 G HA2 -0.342 3.619 3.960 0.000 0.000 0.252 312 G HA3 -0.342 3.619 3.960 0.000 0.000 0.252 312 G C -0.033 174.783 174.900 -0.141 0.000 0.994 312 G CA 0.527 45.242 45.100 -0.642 0.000 0.698 312 G HN 1.025 nan 8.290 nan 0.000 0.521 313 N N 0.945 119.672 118.700 0.045 0.000 2.160 313 N HA 0.145 4.885 4.740 0.000 0.000 0.283 313 N C -0.160 175.380 175.510 0.050 0.000 1.363 313 N CA -0.183 52.980 53.050 0.188 0.000 0.848 313 N CB 0.638 39.201 38.487 0.127 0.000 1.127 313 N HN 0.158 nan 8.380 nan 0.000 0.493 314 P HA -0.223 nan 4.420 nan 0.000 0.215 314 P C 1.482 178.743 177.300 -0.066 0.000 1.163 314 P CA 0.783 63.746 63.100 -0.228 0.000 0.894 314 P CB 0.086 31.556 31.700 -0.383 0.000 0.791 315 L N -0.354 120.854 121.223 -0.024 0.000 2.012 315 L HA -0.145 4.195 4.340 0.000 0.000 0.210 315 L C 2.264 179.122 176.870 -0.020 0.000 1.073 315 L CA 2.293 57.122 54.840 -0.018 0.000 0.748 315 L CB -1.693 40.360 42.059 -0.010 0.000 0.891 315 L HN -0.101 nan 8.230 nan 0.000 0.431 316 A N -1.621 121.189 122.820 -0.018 0.000 1.933 316 A HA -0.233 4.087 4.320 0.000 0.000 0.218 316 A C 2.408 179.980 177.584 -0.020 0.000 1.175 316 A CA 1.787 53.809 52.037 -0.026 0.000 0.628 316 A CB -1.448 17.534 19.000 -0.030 0.000 0.814 316 A HN 0.632 nan 8.150 nan 0.000 0.444 317 C N -1.109 118.189 119.300 -0.005 0.000 2.425 317 C HA 0.067 4.528 4.460 0.000 0.000 0.277 317 C C 3.310 178.303 174.990 0.006 0.000 1.280 317 C CA 0.753 59.778 59.018 0.011 0.000 1.744 317 C CB -1.302 26.473 27.740 0.058 0.000 1.989 317 C HN 0.705 nan 8.230 nan 0.000 0.491 318 A N 0.525 123.345 122.820 -0.000 0.000 1.898 318 A HA 0.089 4.410 4.320 0.000 0.000 0.216 318 A C 2.379 179.950 177.584 -0.020 0.000 1.181 318 A CA 1.993 54.028 52.037 -0.004 0.000 0.620 318 A CB -0.945 18.051 19.000 -0.008 0.000 0.819 318 A HN 0.554 nan 8.150 nan 0.000 0.442 319 A N -0.030 122.773 122.820 -0.028 0.000 1.908 319 A HA 0.107 4.427 4.320 0.000 0.000 0.218 319 A C 2.502 180.049 177.584 -0.062 0.000 1.181 319 A CA 2.255 54.266 52.037 -0.043 0.000 0.627 319 A CB -1.044 17.931 19.000 -0.042 0.000 0.818 319 A HN 1.097 nan 8.150 nan 0.000 0.445 320 A N -0.040 122.744 122.820 -0.060 0.000 1.933 320 A HA -0.181 4.140 4.320 0.000 0.000 0.218 320 A C 1.940 179.479 177.584 -0.075 0.000 1.175 320 A CA 1.687 53.672 52.037 -0.087 0.000 0.628 320 A CB -0.592 18.365 19.000 -0.071 0.000 0.814 320 A HN 0.551 nan 8.150 nan 0.000 0.444 321 N N 0.502 119.179 118.700 -0.039 0.000 2.120 321 N HA -0.112 4.628 4.740 0.000 0.000 0.188 321 N C 1.913 177.399 175.510 -0.041 0.000 1.024 321 N CA 1.568 54.605 53.050 -0.022 0.000 0.852 321 N CB -0.521 37.966 38.487 -0.000 0.000 1.003 321 N HN 0.466 nan 8.380 nan 0.000 0.424 322 A N 0.209 122.995 122.820 -0.058 0.000 1.898 322 A HA -0.104 4.217 4.320 0.000 0.000 0.216 322 A C 2.465 179.952 177.584 -0.161 0.000 1.181 322 A CA 1.834 53.819 52.037 -0.087 0.000 0.620 322 A CB -0.877 18.077 19.000 -0.076 0.000 0.819 322 A HN 0.317 nan 8.150 nan 0.000 0.442 323 S N -0.434 115.171 115.700 -0.158 0.000 2.370 323 S HA -0.111 4.359 4.470 0.000 0.000 0.226 323 S C 1.905 176.450 174.600 -0.091 0.000 1.033 323 S CA 1.544 59.660 58.200 -0.141 0.000 1.011 323 S CB -0.455 62.704 63.200 -0.068 0.000 0.852 323 S HN 0.496 nan 8.310 nan 0.000 0.457 324 L N 0.769 121.936 121.223 -0.092 0.000 2.156 324 L HA 0.020 4.361 4.340 0.000 0.000 0.208 324 L C 2.904 179.777 176.870 0.006 0.000 1.095 324 L CA 0.962 55.782 54.840 -0.032 0.000 0.770 324 L CB -0.677 41.384 42.059 0.004 0.000 0.914 324 L HN 0.403 nan 8.230 nan 0.000 0.439 325 A N 0.619 123.425 122.820 -0.023 0.000 1.902 325 A HA -0.179 4.141 4.320 0.000 0.000 0.217 325 A C 2.192 179.771 177.584 -0.007 0.000 1.181 325 A CA 1.394 53.428 52.037 -0.004 0.000 0.623 325 A CB -0.595 18.396 19.000 -0.016 0.000 0.818 325 A HN 0.321 nan 8.150 nan 0.000 0.443 326 I N -0.193 120.321 120.570 -0.094 0.000 2.163 326 I HA -0.297 3.873 4.170 0.000 0.000 0.243 326 I C 2.297 178.464 176.117 0.083 0.000 1.085 326 I CA 1.304 62.544 61.300 -0.100 0.000 1.347 326 I CB -0.361 37.358 38.000 -0.467 0.000 1.044 326 I HN 0.292 nan 8.210 nan 0.000 0.408 327 L N 0.122 121.424 121.223 0.131 0.000 2.191 327 L HA -0.201 4.139 4.340 0.000 0.000 0.212 327 L C 2.380 179.426 176.870 0.293 0.000 1.103 327 L CA 1.237 56.230 54.840 0.254 0.000 0.769 327 L CB -0.616 41.489 42.059 0.076 0.000 0.908 327 L HN 0.276 nan 8.230 nan 0.000 0.438 328 E N -0.077 120.226 120.200 0.172 0.000 2.204 328 E HA -0.211 4.139 4.350 0.000 0.000 0.195 328 E C 2.289 178.974 176.600 0.141 0.000 0.990 328 E CA 1.380 57.871 56.400 0.152 0.000 0.821 328 E CB -0.033 29.725 29.700 0.097 0.000 0.750 328 E HN 0.534 nan 8.360 nan 0.000 0.477 329 S N -0.704 115.075 115.700 0.133 0.000 2.419 329 S HA -0.099 4.372 4.470 0.000 0.000 0.233 329 S C 1.834 176.486 174.600 0.087 0.000 1.016 329 S CA 1.123 59.382 58.200 0.098 0.000 0.974 329 S CB -0.167 63.089 63.200 0.093 0.000 0.786 329 S HN 0.433 nan 8.310 nan 0.000 0.492 330 G N 1.093 109.980 108.800 0.146 0.000 2.253 330 G HA2 -0.302 3.658 3.960 0.000 0.000 0.251 330 G HA3 -0.302 3.658 3.960 0.000 0.000 0.251 330 G C 0.491 175.266 174.900 -0.207 0.000 0.998 330 G CA 0.494 45.584 45.100 -0.017 0.000 0.621 330 G HN 0.520 nan 8.290 nan 0.000 0.524 331 D N 0.340 120.727 120.400 -0.021 0.000 2.203 331 D HA -0.142 4.498 4.640 0.000 0.000 0.199 331 D C 2.258 178.532 176.300 -0.043 0.000 0.997 331 D CA 1.629 55.617 54.000 -0.021 0.000 0.863 331 D CB -0.522 40.330 40.800 0.086 0.000 0.928 331 D HN 0.878 nan 8.370 nan 0.000 0.458 332 W N 1.350 122.672 121.300 0.038 0.000 2.350 332 W HA -0.187 4.473 4.660 0.001 0.000 0.289 332 W C 1.516 177.957 176.519 -0.131 0.000 1.215 332 W CA 0.521 57.853 57.345 -0.022 0.000 1.236 332 W CB -1.073 28.414 29.460 0.044 0.000 1.130 332 W HN 0.072 nan 8.180 nan 0.000 0.541 333 Q N 0.876 119.969 119.800 -1.178 0.000 2.062 333 Q HA -0.308 4.032 4.340 0.000 0.000 0.209 333 Q C 2.507 178.238 176.000 -0.447 0.000 0.996 333 Q CA 2.912 58.051 55.803 -1.107 0.000 0.859 333 Q CB -0.587 27.518 28.738 -1.055 0.000 0.920 333 Q HN 0.466 nan 8.270 nan 0.000 0.415 334 Q N -0.306 119.313 119.800 -0.301 0.000 2.250 334 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 334 Q C 2.006 177.946 176.000 -0.101 0.000 0.941 334 Q CA 0.397 56.101 55.803 -0.165 0.000 0.872 334 Q CB 0.288 28.952 28.738 -0.124 0.000 0.965 334 Q HN 0.418 nan 8.270 nan 0.000 0.480 335 Q N -0.450 119.304 119.800 -0.077 0.000 2.061 335 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 335 Q C 2.108 178.078 176.000 -0.049 0.000 0.984 335 Q CA 1.858 57.651 55.803 -0.017 0.000 0.846 335 Q CB 0.053 28.828 28.738 0.062 0.000 0.902 335 Q HN 0.236 nan 8.270 nan 0.000 0.421 336 V N 0.641 120.485 119.914 -0.117 0.000 2.358 336 V HA -0.244 3.876 4.120 0.000 0.000 0.246 336 V C 2.202 178.256 176.094 -0.068 0.000 1.047 336 V CA 1.696 63.916 62.300 -0.133 0.000 1.035 336 V CB -0.886 30.833 31.823 -0.173 0.000 0.658 336 V HN 0.398 nan 8.190 nan 0.000 0.452 337 A N -0.059 122.716 122.820 -0.076 0.000 1.933 337 A HA -0.240 4.081 4.320 0.000 0.000 0.218 337 A C 1.961 179.523 177.584 -0.037 0.000 1.175 337 A CA 2.003 54.007 52.037 -0.055 0.000 0.628 337 A CB -0.575 18.380 19.000 -0.076 0.000 0.814 337 A HN 0.533 nan 8.150 nan 0.000 0.444 338 D N -0.053 120.326 120.400 -0.035 0.000 2.144 338 D HA -0.086 4.554 4.640 0.000 0.000 0.200 338 D C 1.793 178.091 176.300 -0.005 0.000 0.978 338 D CA 0.988 54.978 54.000 -0.017 0.000 0.833 338 D CB -0.309 40.484 40.800 -0.012 0.000 0.961 338 D HN 0.524 nan 8.370 nan 0.000 0.470 339 I N 0.829 121.398 120.570 -0.002 0.000 2.252 339 I HA -0.210 3.960 4.170 0.000 0.000 0.245 339 I C 2.439 178.560 176.117 0.007 0.000 1.102 339 I CA 0.938 62.246 61.300 0.013 0.000 1.385 339 I CB -0.110 37.906 38.000 0.027 0.000 1.064 339 I HN -0.006 nan 8.210 nan 0.000 0.414 340 E N 0.851 121.049 120.200 -0.003 0.000 2.058 340 E HA -0.217 4.133 4.350 0.000 0.000 0.194 340 E C 2.299 178.897 176.600 -0.002 0.000 0.997 340 E CA 1.769 58.167 56.400 -0.004 0.000 0.801 340 E CB 0.109 29.803 29.700 -0.009 0.000 0.746 340 E HN 0.256 nan 8.360 nan 0.000 0.450 341 V N 1.054 120.965 119.914 -0.005 0.000 2.295 341 V HA -0.293 3.827 4.120 0.000 0.000 0.246 341 V C 2.610 178.705 176.094 0.002 0.000 1.049 341 V CA 2.332 64.630 62.300 -0.003 0.000 1.024 341 V CB -0.678 31.141 31.823 -0.006 0.000 0.648 341 V HN 0.405 nan 8.190 nan 0.000 0.447 342 Q N -0.601 119.202 119.800 0.005 0.000 2.167 342 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 342 Q C 2.238 178.245 176.000 0.011 0.000 0.970 342 Q CA 1.491 57.299 55.803 0.009 0.000 0.855 342 Q CB -0.094 28.651 28.738 0.012 0.000 0.911 342 Q HN 0.615 nan 8.270 nan 0.000 0.438 343 L N -0.053 121.177 121.223 0.011 0.000 2.056 343 L HA -0.174 4.166 4.340 0.000 0.000 0.207 343 L C 2.688 179.564 176.870 0.011 0.000 1.078 343 L CA 1.215 56.062 54.840 0.012 0.000 0.749 343 L CB -0.332 41.734 42.059 0.012 0.000 0.901 343 L HN 0.196 nan 8.230 nan 0.000 0.433 344 R N -0.218 120.286 120.500 0.007 0.000 2.081 344 R HA -0.174 4.166 4.340 0.000 0.000 0.235 344 R C 2.179 178.484 176.300 0.009 0.000 1.131 344 R CA 1.442 57.546 56.100 0.006 0.000 0.960 344 R CB -0.207 30.094 30.300 0.002 0.000 0.856 344 R HN 0.458 nan 8.270 nan 0.000 0.436 345 E N 0.391 120.596 120.200 0.009 0.000 2.046 345 E HA -0.167 4.183 4.350 0.000 0.000 0.190 345 E C 2.008 178.616 176.600 0.014 0.000 0.982 345 E CA 0.948 57.355 56.400 0.010 0.000 0.800 345 E CB 0.143 29.848 29.700 0.009 0.000 0.756 345 E HN 0.390 nan 8.360 nan 0.000 0.449 346 Q N -0.098 119.712 119.800 0.016 0.000 2.389 346 Q HA 0.025 4.365 4.340 0.000 0.000 0.204 346 Q C 1.865 177.880 176.000 0.026 0.000 0.944 346 Q CA 0.471 56.287 55.803 0.021 0.000 0.908 346 Q CB 0.330 29.080 28.738 0.021 0.000 1.002 346 Q HN 0.262 nan 8.270 nan 0.000 0.493 347 L N -0.424 120.813 121.223 0.023 0.000 2.585 347 L HA 0.180 4.521 4.340 0.000 0.000 0.226 347 L C 2.169 179.055 176.870 0.026 0.000 1.113 347 L CA 0.005 54.862 54.840 0.029 0.000 0.876 347 L CB -0.180 41.895 42.059 0.027 0.000 1.072 347 L HN 0.127 nan 8.230 nan 0.000 0.468 348 A N 1.443 124.275 122.820 0.020 0.000 1.908 348 A HA -0.120 4.200 4.320 0.000 0.000 0.218 348 A C -0.190 177.405 177.584 0.019 0.000 1.181 348 A CA 1.584 53.631 52.037 0.017 0.000 0.627 348 A CB -1.637 17.371 19.000 0.013 0.000 0.818 348 A HN 0.262 nan 8.150 nan 0.000 0.445 349 P HA -0.047 nan 4.420 nan 0.000 0.225 349 P C 1.339 178.654 177.300 0.026 0.000 1.148 349 P CA 1.372 64.486 63.100 0.023 0.000 0.779 349 P CB -0.094 31.623 31.700 0.027 0.000 0.780 350 A N 0.098 122.937 122.820 0.031 0.000 2.121 350 A HA -0.141 4.179 4.320 0.000 0.000 0.218 350 A C 2.017 179.613 177.584 0.019 0.000 1.154 350 A CA 0.857 52.914 52.037 0.034 0.000 0.679 350 A CB -0.885 18.143 19.000 0.048 0.000 0.795 350 A HN 0.128 nan 8.150 nan 0.000 0.458 351 R N -0.093 120.416 120.500 0.014 0.000 2.339 351 R HA -0.038 4.302 4.340 0.000 0.000 0.199 351 R C 0.008 176.309 176.300 0.001 0.000 1.018 351 R CA 0.933 57.037 56.100 0.007 0.000 1.036 351 R CB -0.031 30.273 30.300 0.007 0.000 0.899 351 R HN 0.440 nan 8.270 nan 0.000 0.473 352 D N -0.149 120.252 120.400 0.002 0.000 2.407 352 D HA 0.103 4.743 4.640 0.000 0.000 0.208 352 D C 0.165 176.458 176.300 -0.010 0.000 1.083 352 D CA 0.113 54.111 54.000 -0.003 0.000 0.844 352 D CB 0.539 41.340 40.800 0.002 0.000 0.967 352 D HN 0.104 nan 8.370 nan 0.000 0.506 353 A N 1.017 123.831 122.820 -0.011 0.000 2.327 353 A HA 0.191 4.511 4.320 0.000 0.000 0.283 353 A C 1.288 178.841 177.584 -0.053 0.000 1.127 353 A CA -0.281 51.741 52.037 -0.025 0.000 0.810 353 A CB 1.082 20.076 19.000 -0.010 0.000 1.066 353 A HN -0.210 nan 8.150 nan 0.000 0.492 354 E N 1.698 121.851 120.200 -0.077 0.000 2.110 354 E HA -0.126 4.225 4.350 0.000 0.000 0.193 354 E C 1.384 177.891 176.600 -0.156 0.000 0.988 354 E CA 1.189 57.527 56.400 -0.103 0.000 0.804 354 E CB -0.111 29.520 29.700 -0.115 0.000 0.745 354 E HN 0.701 nan 8.360 nan 0.000 0.458 355 M N 0.260 119.722 119.600 -0.230 0.000 2.659 355 M HA 0.035 4.515 4.480 0.000 0.000 0.243 355 M C 0.399 176.554 176.300 -0.242 0.000 1.111 355 M CA 0.078 55.139 55.300 -0.398 0.000 1.070 355 M CB -0.296 31.835 32.600 -0.781 0.000 1.525 355 M HN -0.281 nan 8.290 nan 0.000 0.517 356 V N 0.426 120.271 119.914 -0.115 0.000 2.481 356 V HA 0.437 4.558 4.120 0.000 0.000 0.286 356 V C 1.119 177.198 176.094 -0.025 0.000 1.042 356 V CA -0.156 62.117 62.300 -0.045 0.000 0.928 356 V CB 1.298 33.112 31.823 -0.014 0.000 0.986 356 V HN 0.343 nan 8.190 nan 0.000 0.462 357 A N 3.287 126.101 122.820 -0.009 0.000 2.035 357 A HA 0.353 4.674 4.320 0.000 0.000 0.208 357 A C 0.504 178.086 177.584 -0.004 0.000 1.206 357 A CA 0.695 52.727 52.037 -0.007 0.000 0.773 357 A CB 0.154 19.150 19.000 -0.007 0.000 0.878 357 A HN 0.795 nan 8.150 nan 0.000 0.469 358 D N -2.766 117.634 120.400 0.001 0.000 2.663 358 D HA 0.455 5.096 4.640 0.000 0.000 0.233 358 D C -1.858 174.447 176.300 0.009 0.000 1.240 358 D CA -0.143 53.859 54.000 0.002 0.000 0.774 358 D CB 1.922 42.721 40.800 -0.002 0.000 1.443 358 D HN -0.025 nan 8.370 nan 0.000 0.441 359 V N 2.830 122.750 119.914 0.009 0.000 2.443 359 V HA 0.652 4.772 4.120 0.000 0.000 0.293 359 V C -0.486 175.612 176.094 0.006 0.000 1.021 359 V CA -0.660 61.648 62.300 0.013 0.000 0.848 359 V CB 1.481 33.314 31.823 0.017 0.000 0.998 359 V HN 0.615 nan 8.190 nan 0.000 0.424 360 R N 3.512 124.013 120.500 0.003 0.000 2.725 360 R HA 0.967 5.308 4.340 0.000 0.000 0.277 360 R C -2.067 174.227 176.300 -0.010 0.000 0.987 360 R CA -0.834 55.262 56.100 -0.006 0.000 0.901 360 R CB 2.502 32.795 30.300 -0.013 0.000 1.207 360 R HN 0.314 nan 8.270 nan 0.000 0.463 361 V N 2.372 122.275 119.914 -0.017 0.000 2.888 361 V HA 0.564 4.684 4.120 0.000 0.000 0.309 361 V C -1.506 174.567 176.094 -0.035 0.000 1.114 361 V CA -0.848 61.440 62.300 -0.019 0.000 0.940 361 V CB 2.084 33.903 31.823 -0.008 0.000 1.021 361 V HN 0.728 nan 8.190 nan 0.000 0.426 362 L N 3.855 125.054 121.223 -0.040 0.000 2.562 362 L HA 0.822 5.163 4.340 0.000 0.000 0.266 362 L C 0.344 177.198 176.870 -0.028 0.000 0.949 362 L CA 1.323 56.131 54.840 -0.052 0.000 0.879 362 L CB 1.497 43.497 42.059 -0.098 0.000 1.278 362 L HN 1.165 nan 8.230 nan 0.000 0.404 363 G N 3.804 112.600 108.800 -0.007 0.000 2.611 363 G HA2 -0.182 3.778 3.960 0.000 0.000 0.301 363 G HA3 -0.182 3.778 3.960 0.000 0.000 0.301 363 G C 0.517 175.418 174.900 0.002 0.000 1.233 363 G CA 0.418 45.522 45.100 0.006 0.000 0.993 363 G HN 1.851 nan 8.290 nan 0.000 0.553 364 A N -0.003 122.826 122.820 0.014 0.000 3.105 364 A HA 0.662 4.982 4.320 0.000 0.000 0.272 364 A C 0.363 177.973 177.584 0.045 0.000 1.466 364 A CA 0.147 52.214 52.037 0.050 0.000 1.101 364 A CB -0.583 18.489 19.000 0.120 0.000 1.065 364 A HN 0.755 nan 8.150 nan 0.000 0.643 365 I N 0.287 120.862 120.570 0.008 0.000 2.468 365 I HA 0.472 4.643 4.170 0.000 0.000 0.285 365 I C 0.334 176.453 176.117 0.003 0.000 1.039 365 I CA -0.547 60.745 61.300 -0.013 0.000 1.074 365 I CB 2.193 40.147 38.000 -0.077 0.000 1.228 365 I HN 0.269 nan 8.210 nan 0.000 0.436 366 G N 5.596 114.416 108.800 0.033 0.000 2.478 366 G HA2 0.665 4.625 3.960 0.000 0.000 0.317 366 G HA3 0.665 4.625 3.960 0.000 0.000 0.317 366 G C -1.087 173.853 174.900 0.067 0.000 1.259 366 G CA -0.430 44.690 45.100 0.033 0.000 0.933 366 G HN 0.307 nan 8.290 nan 0.000 0.478 367 V N 2.471 122.414 119.914 0.047 0.000 2.531 367 V HA 0.431 4.552 4.120 0.000 0.000 0.301 367 V C -0.398 175.725 176.094 0.048 0.000 1.034 367 V CA -0.734 61.604 62.300 0.063 0.000 0.865 367 V CB 1.944 33.775 31.823 0.012 0.000 0.995 367 V HN 0.532 nan 8.190 nan 0.000 0.424 368 V N 4.208 124.163 119.914 0.068 0.000 2.304 368 V HA 0.346 4.466 4.120 0.000 0.000 0.278 368 V C 0.142 176.275 176.094 0.064 0.000 1.018 368 V CA -0.472 61.867 62.300 0.065 0.000 0.814 368 V CB 1.274 33.150 31.823 0.089 0.000 1.021 368 V HN 0.950 nan 8.190 nan 0.000 0.440 369 E N 3.541 123.760 120.200 0.033 0.000 2.229 369 E HA 0.424 4.774 4.350 0.000 0.000 0.283 369 E C 0.184 176.806 176.600 0.037 0.000 1.030 369 E CA -0.345 56.066 56.400 0.018 0.000 0.836 369 E CB 1.098 30.792 29.700 -0.011 0.000 1.068 369 E HN 0.784 nan 8.360 nan 0.000 0.401 370 T N 0.559 115.154 114.554 0.068 0.000 2.936 370 T HA 0.194 4.545 4.350 0.000 0.000 0.282 370 T C 1.243 175.971 174.700 0.047 0.000 1.003 370 T CA -0.208 61.929 62.100 0.063 0.000 1.005 370 T CB 1.466 70.450 68.868 0.192 0.000 1.097 370 T HN 0.483 nan 8.240 nan 0.000 0.532 371 T N -1.640 112.937 114.554 0.037 0.000 2.995 371 T HA 0.080 4.431 4.350 0.000 0.000 0.269 371 T C 0.197 174.982 174.700 0.143 0.000 1.091 371 T CA 0.819 62.992 62.100 0.122 0.000 1.128 371 T CB -0.502 68.523 68.868 0.262 0.000 0.891 371 T HN 0.791 nan 8.240 nan 0.000 0.492 372 H N -0.057 118.995 119.070 -0.029 0.000 2.928 372 H HA 0.505 5.061 4.556 0.000 0.000 0.371 372 H C -2.972 172.474 175.328 0.196 0.000 1.186 372 H CA -2.640 53.445 56.048 0.062 0.000 1.134 372 H CB 0.652 30.441 29.762 0.045 0.000 1.824 372 H HN -0.160 nan 8.280 nan 0.000 0.554 373 P HA -0.072 nan 4.420 nan 0.000 0.256 373 P C -0.260 177.187 177.300 0.246 0.000 1.173 373 P CA 0.147 63.367 63.100 0.201 0.000 0.768 373 P CB -0.074 31.710 31.700 0.139 0.000 0.758 374 V N 1.487 121.494 119.914 0.156 0.000 2.843 374 V HA 0.199 4.319 4.120 0.000 0.000 0.305 374 V C 0.680 176.746 176.094 -0.047 0.000 1.065 374 V CA -0.507 61.760 62.300 -0.055 0.000 1.116 374 V CB 0.698 32.457 31.823 -0.107 0.000 0.968 374 V HN 0.397 nan 8.190 nan 0.000 0.487 375 N N 4.662 123.284 118.700 -0.131 0.000 2.555 375 N HA 0.190 4.931 4.740 0.000 0.000 0.244 375 N C 0.832 176.307 175.510 -0.059 0.000 1.114 375 N CA 0.004 53.026 53.050 -0.047 0.000 0.963 375 N CB 0.593 39.067 38.487 -0.022 0.000 1.276 375 N HN 0.930 nan 8.380 nan 0.000 0.510 376 M N 1.586 121.182 119.600 -0.006 0.000 2.103 376 M HA -0.299 4.181 4.480 0.000 0.000 0.255 376 M C 1.649 177.956 176.300 0.012 0.000 1.074 376 M CA 2.072 57.382 55.300 0.016 0.000 1.090 376 M CB -0.271 32.376 32.600 0.079 0.000 1.325 376 M HN 0.634 nan 8.290 nan 0.000 0.403 377 A N -0.346 122.495 122.820 0.035 0.000 1.855 377 A HA -0.052 4.268 4.320 0.000 0.000 0.215 377 A C 2.277 179.889 177.584 0.047 0.000 1.191 377 A CA 2.030 54.103 52.037 0.061 0.000 0.613 377 A CB -1.016 18.018 19.000 0.057 0.000 0.829 377 A HN 0.565 nan 8.150 nan 0.000 0.442 378 A N -0.794 122.044 122.820 0.030 0.000 1.877 378 A HA -0.024 4.296 4.320 0.000 0.000 0.216 378 A C 2.136 179.653 177.584 -0.112 0.000 1.186 378 A CA 1.762 53.836 52.037 0.061 0.000 0.620 378 A CB -0.635 18.463 19.000 0.164 0.000 0.822 378 A HN 0.570 nan 8.150 nan 0.000 0.443 379 L N -0.533 120.517 121.223 -0.288 0.000 2.093 379 L HA -0.144 4.197 4.340 0.000 0.000 0.208 379 L C 2.501 179.071 176.870 -0.500 0.000 1.085 379 L CA 2.479 56.897 54.840 -0.704 0.000 0.755 379 L CB -0.761 40.946 42.059 -0.588 0.000 0.904 379 L HN 0.528 nan 8.230 nan 0.000 0.435 380 Q N -0.314 119.383 119.800 -0.172 0.000 2.061 380 Q HA -0.264 4.077 4.340 0.000 0.000 0.204 380 Q C 2.364 178.332 176.000 -0.054 0.000 0.984 380 Q CA 2.092 57.855 55.803 -0.065 0.000 0.846 380 Q CB -0.167 28.582 28.738 0.018 0.000 0.902 380 Q HN 0.424 nan 8.270 nan 0.000 0.421 381 K N -0.906 119.516 120.400 0.037 0.000 2.026 381 K HA -0.174 4.146 4.320 0.000 0.000 0.208 381 K C 1.943 178.532 176.600 -0.019 0.000 1.048 381 K CA 1.400 57.752 56.287 0.108 0.000 0.929 381 K CB -0.348 32.255 32.500 0.171 0.000 0.713 381 K HN 0.276 nan 8.250 nan 0.000 0.439 382 F N 0.743 120.521 119.950 -0.286 0.000 2.134 382 F HA -0.211 4.316 4.527 0.000 0.000 0.299 382 F C 1.622 177.251 175.800 -0.285 0.000 1.097 382 F CA 1.376 59.155 58.000 -0.369 0.000 1.264 382 F CB -0.306 38.176 39.000 -0.863 0.000 1.001 382 F HN -0.048 nan 8.300 nan 0.000 0.479 383 F N 0.232 119.952 119.950 -0.383 0.000 2.102 383 F HA -0.157 4.370 4.527 0.000 0.000 0.298 383 F C 2.516 178.104 175.800 -0.353 0.000 1.105 383 F CA 1.341 59.089 58.000 -0.420 0.000 1.239 383 F CB -1.489 37.334 39.000 -0.296 0.000 0.991 383 F HN -0.183 nan 8.300 nan 0.000 0.474 384 V N 0.074 119.927 119.914 -0.101 0.000 2.332 384 V HA -0.295 3.826 4.120 0.000 0.000 0.248 384 V C 2.085 178.102 176.094 -0.128 0.000 1.055 384 V CA 2.071 64.290 62.300 -0.137 0.000 1.038 384 V CB -0.665 30.990 31.823 -0.281 0.000 0.651 384 V HN 0.336 nan 8.190 nan 0.000 0.450 385 E N -0.476 119.627 120.200 -0.162 0.000 2.268 385 E HA -0.192 4.158 4.350 0.000 0.000 0.195 385 E C 2.024 178.505 176.600 -0.200 0.000 0.995 385 E CA 0.702 57.015 56.400 -0.145 0.000 0.836 385 E CB -0.072 29.566 29.700 -0.102 0.000 0.763 385 E HN 0.566 nan 8.360 nan 0.000 0.491 386 Q N -0.634 118.983 119.800 -0.305 0.000 2.403 386 Q HA 0.072 4.413 4.340 0.000 0.000 0.203 386 Q C 1.016 176.943 176.000 -0.122 0.000 0.932 386 Q CA 0.716 56.374 55.803 -0.241 0.000 0.945 386 Q CB 1.112 29.651 28.738 -0.331 0.000 1.045 386 Q HN 0.385 nan 8.270 nan 0.000 0.511 387 G N 0.885 109.625 108.800 -0.101 0.000 2.149 387 G HA2 -0.232 3.728 3.960 0.000 0.000 0.235 387 G HA3 -0.232 3.728 3.960 0.000 0.000 0.235 387 G C 0.121 174.992 174.900 -0.048 0.000 1.018 387 G CA 0.370 45.432 45.100 -0.063 0.000 0.728 387 G HN 0.366 nan 8.290 nan 0.000 0.508 388 V N -4.204 115.681 119.914 -0.048 0.000 3.007 388 V HA 0.874 4.994 4.120 0.000 0.000 0.311 388 V C -0.174 175.927 176.094 0.012 0.000 1.120 388 V CA -1.654 60.622 62.300 -0.041 0.000 0.980 388 V CB 2.218 33.977 31.823 -0.106 0.000 1.033 388 V HN 0.701 nan 8.190 nan 0.000 0.429 389 W N 4.967 126.139 121.300 -0.213 0.000 2.294 389 W HA 0.795 5.456 4.660 0.000 0.000 0.314 389 W C -1.911 174.440 176.519 -0.281 0.000 1.044 389 W CA -0.823 56.383 57.345 -0.231 0.000 1.284 389 W CB 1.419 30.756 29.460 -0.206 0.000 1.231 389 W HN 0.650 nan 8.180 nan 0.000 0.419 390 I N 6.519 126.565 120.570 -0.874 0.000 2.571 390 I HA 0.300 4.470 4.170 0.000 0.000 0.289 390 I C -0.137 175.466 176.117 -0.857 0.000 1.115 390 I CA -0.828 59.929 61.300 -0.904 0.000 1.045 390 I CB 2.504 39.755 38.000 -1.247 0.000 1.238 390 I HN 0.277 nan 8.210 nan 0.000 0.424 391 R N 7.233 127.313 120.500 -0.700 0.000 2.287 391 R HA 0.468 4.808 4.340 0.000 0.000 0.316 391 R C -2.648 173.632 176.300 -0.033 0.000 1.050 391 R CA -1.549 54.310 56.100 -0.401 0.000 0.983 391 R CB 1.239 31.326 30.300 -0.354 0.000 1.140 391 R HN 0.226 nan 8.270 nan 0.000 0.528 392 P HA 0.084 nan 4.420 nan 0.000 0.271 392 P C -1.055 176.480 177.300 0.390 0.000 1.233 392 P CA 0.218 63.436 63.100 0.197 0.000 0.789 392 P CB 0.344 32.112 31.700 0.113 0.000 0.951 393 F N -2.769 117.288 119.950 0.179 0.000 2.708 393 F HA 0.596 5.123 4.527 0.001 0.000 0.309 393 F C 0.594 176.463 175.800 0.115 0.000 1.120 393 F CA -0.140 57.944 58.000 0.139 0.000 0.978 393 F CB 0.332 39.420 39.000 0.147 0.000 1.283 393 F HN 0.675 nan 8.300 nan 0.000 0.439 394 G N 2.706 111.594 108.800 0.147 0.000 2.685 394 G HA2 -0.322 3.638 3.960 0.000 0.000 0.329 394 G HA3 -0.322 3.638 3.960 0.000 0.000 0.329 394 G C 0.130 175.016 174.900 -0.023 0.000 1.271 394 G CA 0.746 45.870 45.100 0.040 0.000 1.003 394 G HN 0.968 nan 8.290 nan 0.000 0.549 395 K N 0.533 120.879 120.400 -0.091 0.000 2.981 395 K HA 0.512 4.832 4.320 0.000 0.000 0.213 395 K C -0.450 176.108 176.600 -0.069 0.000 1.154 395 K CA -0.058 56.218 56.287 -0.017 0.000 1.111 395 K CB 0.301 32.806 32.500 0.008 0.000 0.975 395 K HN 0.339 nan 8.250 nan 0.000 0.462 396 L N 1.165 122.286 121.223 -0.169 0.000 2.438 396 L HA 0.552 4.892 4.340 0.000 0.000 0.270 396 L C -0.588 176.291 176.870 0.015 0.000 0.972 396 L CA -0.839 53.917 54.840 -0.140 0.000 0.831 396 L CB 2.102 43.920 42.059 -0.401 0.000 1.273 396 L HN 0.068 nan 8.230 nan 0.000 0.405 397 I N 3.861 124.499 120.570 0.112 0.000 2.390 397 I HA 0.330 4.501 4.170 0.000 0.000 0.283 397 I C -0.849 175.349 176.117 0.136 0.000 1.016 397 I CA -0.575 60.801 61.300 0.126 0.000 1.151 397 I CB 0.732 38.830 38.000 0.163 0.000 1.293 397 I HN 0.470 nan 8.210 nan 0.000 0.458 398 Y N 5.762 126.057 120.300 -0.007 0.000 2.598 398 Y HA 0.884 5.434 4.550 0.000 0.000 0.340 398 Y C -1.534 174.353 175.900 -0.022 0.000 1.038 398 Y CA -1.736 56.357 58.100 -0.013 0.000 1.100 398 Y CB 1.175 39.632 38.460 -0.004 0.000 1.281 398 Y HN 0.233 nan 8.280 nan 0.000 0.488 399 L N 3.052 124.273 121.223 -0.004 0.000 2.386 399 L HA 0.601 4.941 4.340 0.000 0.000 0.271 399 L C -0.820 176.080 176.870 0.050 0.000 0.993 399 L CA -0.886 53.908 54.840 -0.077 0.000 0.819 399 L CB 2.134 44.157 42.059 -0.061 0.000 1.294 399 L HN 0.770 nan 8.230 nan 0.000 0.414 400 M N 4.824 124.457 119.600 0.055 0.000 2.400 400 M HA 0.276 4.756 4.480 0.000 0.000 0.241 400 M C -2.638 173.740 176.300 0.130 0.000 1.158 400 M CA -1.313 54.046 55.300 0.097 0.000 0.613 400 M CB 1.682 34.318 32.600 0.059 0.000 1.615 400 M HN 0.192 nan 8.290 nan 0.000 0.371 401 P HA 0.416 nan 4.420 nan 0.000 0.276 401 P C -2.794 174.584 177.300 0.129 0.000 1.261 401 P CA -1.460 61.707 63.100 0.113 0.000 0.800 401 P CB -0.325 31.430 31.700 0.092 0.000 1.066 402 P HA 0.012 nan 4.420 nan 0.000 0.268 402 P C 0.676 178.087 177.300 0.184 0.000 1.208 402 P CA 0.328 63.438 63.100 0.017 0.000 0.777 402 P CB -0.088 31.622 31.700 0.016 0.000 0.875 403 Y N 1.565 121.888 120.300 0.039 0.000 2.421 403 Y HA -0.065 4.485 4.550 0.000 0.000 0.292 403 Y C 1.830 177.784 175.900 0.091 0.000 1.136 403 Y CA 0.753 58.899 58.100 0.077 0.000 1.255 403 Y CB -1.336 37.188 38.460 0.107 0.000 0.991 403 Y HN 0.304 nan 8.280 nan 0.000 0.552 404 I N -2.284 118.431 120.570 0.241 0.000 3.735 404 I HA 0.162 4.332 4.170 0.000 0.000 0.310 404 I C 0.764 176.960 176.117 0.130 0.000 1.270 404 I CA -0.067 61.340 61.300 0.178 0.000 1.207 404 I CB -0.314 37.791 38.000 0.175 0.000 1.013 404 I HN -0.106 nan 8.210 nan 0.000 0.452 405 I N 2.509 123.155 120.570 0.126 0.000 2.775 405 I HA 0.018 4.188 4.170 0.000 0.000 0.290 405 I C 0.044 176.207 176.117 0.075 0.000 1.203 405 I CA 0.056 61.413 61.300 0.095 0.000 1.433 405 I CB 0.575 38.629 38.000 0.090 0.000 1.354 405 I HN 0.196 nan 8.210 nan 0.000 0.579 406 L N 9.207 130.465 121.223 0.059 0.000 2.417 406 L HA 0.213 4.553 4.340 0.000 0.000 0.268 406 L C -1.470 175.422 176.870 0.036 0.000 1.158 406 L CA -1.394 53.472 54.840 0.044 0.000 0.819 406 L CB 0.199 42.280 42.059 0.036 0.000 1.112 406 L HN 0.506 nan 8.230 nan 0.000 0.458 407 P HA -0.273 nan 4.420 nan 0.000 0.218 407 P C 1.279 178.591 177.300 0.020 0.000 1.154 407 P CA 1.537 64.651 63.100 0.024 0.000 0.872 407 P CB 0.071 31.783 31.700 0.019 0.000 0.790 408 Q N -0.897 118.914 119.800 0.019 0.000 2.230 408 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 408 Q C 2.043 178.052 176.000 0.015 0.000 0.963 408 Q CA 1.019 56.831 55.803 0.015 0.000 0.866 408 Q CB -0.764 27.982 28.738 0.013 0.000 0.931 408 Q HN 0.324 nan 8.270 nan 0.000 0.452 409 Q N 0.803 120.614 119.800 0.018 0.000 2.046 409 Q HA -0.020 4.321 4.340 0.000 0.000 0.200 409 Q C 2.228 178.236 176.000 0.013 0.000 0.975 409 Q CA 1.162 56.975 55.803 0.017 0.000 0.836 409 Q CB -0.087 28.667 28.738 0.027 0.000 0.896 409 Q HN 0.404 nan 8.270 nan 0.000 0.428 410 L N 0.744 121.979 121.223 0.020 0.000 2.127 410 L HA -0.266 4.074 4.340 0.000 0.000 0.211 410 L C 2.307 179.182 176.870 0.008 0.000 1.089 410 L CA 1.351 56.201 54.840 0.015 0.000 0.757 410 L CB -0.108 41.965 42.059 0.024 0.000 0.899 410 L HN 0.391 nan 8.230 nan 0.000 0.434 411 Q N -0.552 119.255 119.800 0.012 0.000 2.079 411 Q HA -0.240 4.100 4.340 0.000 0.000 0.200 411 Q C 2.252 178.259 176.000 0.012 0.000 0.974 411 Q CA 1.551 57.362 55.803 0.014 0.000 0.840 411 Q CB 0.086 28.833 28.738 0.016 0.000 0.898 411 Q HN 0.396 nan 8.270 nan 0.000 0.430 412 R N -0.166 120.337 120.500 0.005 0.000 2.083 412 R HA -0.154 4.186 4.340 0.000 0.000 0.237 412 R C 2.249 178.542 176.300 -0.012 0.000 1.137 412 R CA 1.387 57.487 56.100 -0.001 0.000 0.951 412 R CB -0.297 29.996 30.300 -0.012 0.000 0.851 412 R HN 0.237 nan 8.270 nan 0.000 0.434 413 L N -0.230 120.973 121.223 -0.034 0.000 1.970 413 L HA -0.228 4.112 4.340 0.000 0.000 0.212 413 L C 2.702 179.544 176.870 -0.046 0.000 1.071 413 L CA 2.026 56.817 54.840 -0.081 0.000 0.751 413 L CB -1.164 40.840 42.059 -0.092 0.000 0.889 413 L HN 0.411 nan 8.230 nan 0.000 0.432 414 T N -2.246 112.301 114.554 -0.012 0.000 2.788 414 T HA -0.152 4.198 4.350 0.000 0.000 0.268 414 T C 1.911 176.643 174.700 0.053 0.000 1.044 414 T CA 1.012 63.122 62.100 0.017 0.000 1.139 414 T CB -0.467 68.413 68.868 0.019 0.000 0.867 414 T HN 0.340 nan 8.240 nan 0.000 0.454 415 A N 1.954 124.806 122.820 0.054 0.000 1.898 415 A HA 0.369 4.689 4.320 0.000 0.000 0.216 415 A C 2.855 180.523 177.584 0.140 0.000 1.181 415 A CA 1.799 53.885 52.037 0.082 0.000 0.620 415 A CB -1.415 17.624 19.000 0.064 0.000 0.819 415 A HN 0.742 nan 8.150 nan 0.000 0.442 416 A N -0.518 122.392 122.820 0.149 0.000 1.902 416 A HA -0.012 4.309 4.320 0.000 0.000 0.217 416 A C 2.240 180.091 177.584 0.446 0.000 1.181 416 A CA 1.812 54.028 52.037 0.298 0.000 0.623 416 A CB -0.988 18.161 19.000 0.248 0.000 0.818 416 A HN 0.379 nan 8.150 nan 0.000 0.443 417 V N 1.027 121.111 119.914 0.284 0.000 2.287 417 V HA -0.289 3.831 4.120 0.000 0.000 0.248 417 V C 2.380 178.617 176.094 0.239 0.000 1.053 417 V CA 2.195 64.663 62.300 0.281 0.000 1.027 417 V CB -0.917 30.972 31.823 0.110 0.000 0.646 417 V HN 0.578 nan 8.190 nan 0.000 0.447 418 N N -0.128 118.675 118.700 0.171 0.000 2.166 418 N HA -0.192 4.548 4.740 0.000 0.000 0.186 418 N C 2.052 177.652 175.510 0.150 0.000 1.019 418 N CA 1.574 54.705 53.050 0.134 0.000 0.856 418 N CB -0.297 38.248 38.487 0.097 0.000 0.993 418 N HN 0.436 nan 8.380 nan 0.000 0.426 419 R N 0.822 121.440 120.500 0.196 0.000 2.092 419 R HA -0.001 4.339 4.340 0.000 0.000 0.231 419 R C 2.116 178.504 176.300 0.147 0.000 1.119 419 R CA 1.274 57.492 56.100 0.197 0.000 0.970 419 R CB -0.136 30.351 30.300 0.312 0.000 0.864 419 R HN 0.141 nan 8.270 nan 0.000 0.440 420 A N 0.459 123.385 122.820 0.176 0.000 1.902 420 A HA -0.108 4.212 4.320 0.000 0.000 0.217 420 A C 1.897 179.625 177.584 0.239 0.000 1.181 420 A CA 1.553 53.615 52.037 0.042 0.000 0.623 420 A CB -0.496 18.493 19.000 -0.018 0.000 0.818 420 A HN 0.318 nan 8.150 nan 0.000 0.443 421 V N -2.920 117.139 119.914 0.242 0.000 3.602 421 V HA 0.063 4.183 4.120 0.000 0.000 0.289 421 V C 1.340 177.488 176.094 0.090 0.000 1.265 421 V CA 0.728 63.178 62.300 0.250 0.000 1.202 421 V CB -0.475 31.455 31.823 0.178 0.000 1.012 421 V HN 0.394 nan 8.190 nan 0.000 0.431 422 Q N 2.603 122.448 119.800 0.075 0.000 2.250 422 Q HA 0.062 4.402 4.340 0.000 0.000 0.200 422 Q C 0.427 176.400 176.000 -0.044 0.000 0.941 422 Q CA 1.422 57.228 55.803 0.006 0.000 0.872 422 Q CB 0.071 28.814 28.738 0.009 0.000 0.965 422 Q HN 1.072 nan 8.270 nan 0.000 0.480 423 D N -0.736 119.659 120.400 -0.007 0.000 2.458 423 D HA 0.154 4.794 4.640 0.000 0.000 0.258 423 D C 0.073 176.322 176.300 -0.084 0.000 1.134 423 D CA -0.285 53.669 54.000 -0.077 0.000 0.915 423 D CB 0.525 41.245 40.800 -0.134 0.000 1.028 423 D HN -0.091 nan 8.370 nan 0.000 0.508 424 E N 0.840 120.988 120.200 -0.087 0.000 2.444 424 E HA -0.344 4.006 4.350 0.000 0.000 0.222 424 E C 1.129 177.718 176.600 -0.018 0.000 1.110 424 E CA 1.997 58.367 56.400 -0.049 0.000 0.873 424 E CB -0.236 29.393 29.700 -0.119 0.000 0.749 424 E HN 0.633 nan 8.360 nan 0.000 0.478 425 T N 0.770 115.174 114.554 -0.251 0.000 2.592 425 T HA -0.229 4.121 4.350 0.000 0.000 0.267 425 T C 1.237 175.678 174.700 -0.432 0.000 1.060 425 T CA 1.695 63.481 62.100 -0.523 0.000 1.167 425 T CB -0.450 67.711 68.868 -1.178 0.000 0.863 425 T HN 0.164 nan 8.240 nan 0.000 0.431 426 F N 0.721 120.607 119.950 -0.106 0.000 2.693 426 F HA 0.444 4.971 4.527 0.000 0.000 0.303 426 F C 0.072 175.486 175.800 -0.642 0.000 1.143 426 F CA -1.264 56.506 58.000 -0.383 0.000 1.389 426 F CB -0.910 37.741 39.000 -0.581 0.000 1.060 426 F HN 0.044 nan 8.300 nan 0.000 0.535 427 F N -2.408 117.559 119.950 0.027 0.000 2.611 427 F HA 0.583 5.110 4.527 0.000 0.000 0.324 427 F C 0.747 176.560 175.800 0.022 0.000 1.061 427 F CA -1.473 56.544 58.000 0.029 0.000 0.954 427 F CB 0.894 39.887 39.000 -0.011 0.000 1.301 427 F HN -0.180 nan 8.300 nan 0.000 0.482 428 C N 0.000 119.461 119.300 0.268 0.000 2.653 428 C HA 0.000 4.460 4.460 0.000 0.000 0.325 428 C CA 0.000 59.124 59.018 0.177 0.000 1.963 428 C CB 0.000 27.842 27.740 0.169 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568