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 3fef_1_C DATA FIRST_RESID 7 DATA SEQUENCE LDQIKIAYIG GGSQGWARSL XSDLSIDERX SGTVALYDLD FEAAQKNEVI DATA SEQUENCE GNHSGNGRWR YEAVSTLKKA LSAADIVIIS ILPGSLDDXE VDVHLPERCG DATA SEQUENCE IYQSVGDTVG PGGIIRGLRA VPIFAEIARA IRDYAPESWV INYTNPXSVC DATA SEQUENCE TRVLYKVFPG IKAIGCCHEV FGTQKLLAEX VTERLGIEVP RREDIRVNVL DATA SEQUENCE GINHFTWITK ASYRHIDLLP IFREFSAHYG ESGYELEGEC WRDSVFCSAH DATA SEQUENCE RVAFDLFETY GAIPAAGDRH LAEFLPGPYL KQPEVWKFHL TPISFRKQDR DATA SEQUENCE AEKRQETERL IVQQRGVAEK ASGEEGVNII AALLGLGELV TNVNXPNQGQ DATA SEQUENCE VLNLPIQAIV ETNAFITRNR VQPILSGALP KGVEXLAARH ISNQEAVADA DATA SEQUENCE GLTKDTGLAF QAFLNDPLVQ IDRSDAEQLF NDXL 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.828 176.870 -0.070 0.000 1.165 7 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 7 L CB 0.000 42.061 42.059 0.003 0.000 0.961 8 D N 2.975 123.325 120.400 -0.084 0.000 2.493 8 D HA 0.502 5.141 4.640 -0.000 0.000 0.239 8 D C -0.621 175.603 176.300 -0.127 0.000 1.049 8 D CA -0.048 53.865 54.000 -0.144 0.000 1.008 8 D CB 1.788 42.513 40.800 -0.126 0.000 1.398 8 D HN 0.577 nan 8.370 nan 0.000 0.513 9 Q N -0.195 119.501 119.800 -0.174 0.000 2.468 9 Q HA -0.158 4.182 4.340 -0.000 0.000 0.289 9 Q C -0.321 175.636 176.000 -0.071 0.000 1.299 9 Q CA 0.343 56.074 55.803 -0.120 0.000 0.838 9 Q CB -0.828 27.868 28.738 -0.070 0.000 1.195 9 Q HN 0.352 nan 8.270 nan 0.000 0.456 10 I N 0.730 121.243 120.570 -0.096 0.000 2.638 10 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 10 I C 0.559 176.745 176.117 0.115 0.000 1.088 10 I CA 0.102 61.429 61.300 0.044 0.000 1.397 10 I CB 1.164 39.259 38.000 0.158 0.000 1.414 10 I HN 0.032 nan 8.210 nan 0.000 0.566 11 K N 6.464 126.957 120.400 0.154 0.000 2.413 11 K HA 0.606 4.926 4.320 -0.000 0.000 0.257 11 K C -1.393 175.319 176.600 0.187 0.000 0.946 11 K CA -0.222 56.162 56.287 0.163 0.000 0.823 11 K CB 0.939 33.497 32.500 0.098 0.000 1.109 11 K HN 0.498 nan 8.250 nan 0.000 0.427 12 I N 3.608 124.303 120.570 0.208 0.000 2.406 12 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 12 I C -0.492 175.715 176.117 0.150 0.000 0.999 12 I CA -1.077 60.318 61.300 0.158 0.000 1.124 12 I CB 2.091 40.155 38.000 0.107 0.000 1.289 12 I HN 0.782 nan 8.210 nan 0.000 0.441 13 A N 6.266 129.166 122.820 0.134 0.000 2.290 13 A HA 0.476 4.796 4.320 -0.000 0.000 0.310 13 A C -1.375 176.315 177.584 0.175 0.000 1.202 13 A CA -0.224 51.901 52.037 0.148 0.000 0.837 13 A CB 0.344 19.405 19.000 0.102 0.000 1.139 13 A HN 0.685 nan 8.150 nan 0.000 0.509 14 Y N 3.420 123.797 120.300 0.128 0.000 2.388 14 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 14 Y C -0.435 175.570 175.900 0.175 0.000 0.963 14 Y CA -0.541 57.644 58.100 0.141 0.000 1.240 14 Y CB 0.862 39.405 38.460 0.138 0.000 1.118 14 Y HN 0.566 nan 8.280 nan 0.000 0.484 15 I N 5.828 126.478 120.570 0.133 0.000 2.337 15 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 15 I C 0.865 177.127 176.117 0.242 0.000 1.046 15 I CA 0.194 61.639 61.300 0.242 0.000 1.324 15 I CB 0.818 38.886 38.000 0.113 0.000 1.409 15 I HN 0.979 nan 8.210 nan 0.000 0.494 16 G N 4.169 113.157 108.800 0.314 0.000 2.135 16 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.183 16 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.183 16 G C 0.803 175.924 174.900 0.368 0.000 1.004 16 G CA -0.177 45.092 45.100 0.282 0.000 0.677 16 G HN 0.914 nan 8.290 nan 0.000 0.512 17 G N 0.172 109.176 108.800 0.339 0.000 2.882 17 G HA2 0.364 4.324 3.960 -0.000 0.000 0.206 17 G HA3 0.364 4.324 3.960 -0.000 0.000 0.206 17 G C 1.341 176.206 174.900 -0.058 0.000 1.155 17 G CA 1.131 46.288 45.100 0.096 0.000 0.800 17 G HN 1.337 nan 8.290 nan 0.000 0.524 18 G N -0.047 108.742 108.800 -0.018 0.000 2.985 18 G HA2 0.203 4.163 3.960 -0.000 0.000 0.209 18 G HA3 0.203 4.163 3.960 -0.000 0.000 0.209 18 G C 0.890 175.770 174.900 -0.032 0.000 1.165 18 G CA 0.433 45.499 45.100 -0.056 0.000 0.776 18 G HN 0.428 nan 8.290 nan 0.000 0.541 19 S N -0.668 115.035 115.700 0.005 0.000 2.572 19 S HA 0.071 4.541 4.470 -0.000 0.000 0.262 19 S C 1.149 175.735 174.600 -0.025 0.000 1.375 19 S CA 0.434 58.662 58.200 0.046 0.000 0.996 19 S CB 0.684 63.976 63.200 0.153 0.000 0.892 19 S HN 0.469 nan 8.310 nan 0.000 0.562 20 Q N 0.482 120.274 119.800 -0.013 0.000 2.081 20 Q HA 0.214 4.554 4.340 -0.000 0.000 0.220 20 Q C 1.032 176.984 176.000 -0.080 0.000 0.775 20 Q CA 0.164 55.934 55.803 -0.056 0.000 0.983 20 Q CB 0.910 29.619 28.738 -0.048 0.000 1.188 20 Q HN 0.770 nan 8.270 nan 0.000 0.458 21 G N 0.096 108.853 108.800 -0.071 0.000 2.606 21 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.213 21 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.213 21 G C 0.325 175.102 174.900 -0.204 0.000 2.020 21 G CA -0.122 44.855 45.100 -0.206 0.000 0.814 21 G HN 0.239 nan 8.290 nan 0.000 0.685 22 W N 1.544 122.833 121.300 -0.018 0.000 2.325 22 W HA 0.011 4.671 4.660 -0.000 0.000 0.299 22 W C 2.998 179.500 176.519 -0.028 0.000 1.215 22 W CA 1.416 58.720 57.345 -0.068 0.000 1.244 22 W CB -0.296 29.077 29.460 -0.145 0.000 1.140 22 W HN 0.352 nan 8.180 nan 0.000 0.523 23 A N 0.607 123.496 122.820 0.114 0.000 1.865 23 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 23 A C 2.132 179.624 177.584 -0.154 0.000 1.191 23 A CA 1.697 53.579 52.037 -0.258 0.000 0.623 23 A CB -0.657 18.060 19.000 -0.471 0.000 0.826 23 A HN 0.106 nan 8.150 nan 0.000 0.444 24 R N -0.181 120.244 120.500 -0.126 0.000 2.081 24 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 24 R C 2.612 178.860 176.300 -0.085 0.000 1.131 24 R CA 1.530 57.557 56.100 -0.121 0.000 0.960 24 R CB -1.439 28.791 30.300 -0.118 0.000 0.856 24 R HN 0.603 nan 8.270 nan 0.000 0.436 25 S N 0.650 116.307 115.700 -0.072 0.000 2.368 25 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 25 S C 1.159 175.765 174.600 0.011 0.000 1.030 25 S CA 0.300 58.471 58.200 -0.048 0.000 0.999 25 S CB -0.237 62.911 63.200 -0.087 0.000 0.844 25 S HN 0.139 nan 8.310 nan 0.000 0.459 29 D N 2.041 122.445 120.400 0.008 0.000 2.149 29 D HA -0.012 4.628 4.640 -0.000 0.000 0.198 29 D C 1.835 178.142 176.300 0.011 0.000 0.990 29 D CA 1.043 55.052 54.000 0.016 0.000 0.839 29 D CB -0.154 40.662 40.800 0.026 0.000 0.948 29 D HN 0.294 nan 8.370 nan 0.000 0.460 30 L N 1.051 122.245 121.223 -0.049 0.000 2.017 30 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 30 L C 2.633 179.562 176.870 0.098 0.000 1.073 30 L CA 1.361 56.119 54.840 -0.137 0.000 0.745 30 L CB -0.518 41.223 42.059 -0.530 0.000 0.894 30 L HN 0.064 nan 8.230 nan 0.000 0.432 31 S N 0.252 116.023 115.700 0.117 0.000 2.469 31 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 31 S C 1.631 176.318 174.600 0.145 0.000 0.998 31 S CA 1.160 59.468 58.200 0.181 0.000 0.957 31 S CB -0.601 62.679 63.200 0.134 0.000 0.764 31 S HN 0.623 nan 8.310 nan 0.000 0.514 32 I N -2.576 118.060 120.570 0.110 0.000 4.181 32 I HA 0.393 4.563 4.170 -0.000 0.000 0.331 32 I C 0.079 176.253 176.117 0.096 0.000 1.312 32 I CA -0.403 60.950 61.300 0.088 0.000 1.146 32 I CB 0.054 38.088 38.000 0.056 0.000 1.074 32 I HN -0.063 nan 8.210 nan 0.000 0.402 33 D N 3.195 123.671 120.400 0.126 0.000 2.339 33 D HA 0.043 4.683 4.640 -0.000 0.000 0.256 33 D C 0.548 176.932 176.300 0.141 0.000 1.214 33 D CA 0.261 54.337 54.000 0.127 0.000 0.877 33 D CB 1.060 41.946 40.800 0.143 0.000 1.111 33 D HN 0.388 nan 8.370 nan 0.000 0.478 34 E N 2.854 123.110 120.200 0.092 0.000 2.478 34 E HA -0.000 4.349 4.350 -0.000 0.000 0.194 34 E C 0.579 177.214 176.600 0.059 0.000 1.045 34 E CA 0.115 56.557 56.400 0.070 0.000 0.868 34 E CB 0.697 30.425 29.700 0.047 0.000 0.885 34 E HN 0.326 nan 8.360 nan 0.000 0.505 38 G N 1.172 109.082 108.800 -1.482 0.000 2.513 38 G HA2 0.533 4.493 3.960 -0.000 0.000 0.182 38 G HA3 0.533 4.493 3.960 -0.000 0.000 0.182 38 G C -0.479 174.190 174.900 -0.384 0.000 1.190 38 G CA 0.608 45.266 45.100 -0.737 0.000 0.987 38 G HN 2.041 nan 8.290 nan 0.000 0.479 39 T N -2.375 112.184 114.554 0.008 0.000 2.906 39 T HA 0.711 5.060 4.350 -0.000 0.000 0.295 39 T C -1.209 173.628 174.700 0.228 0.000 1.061 39 T CA -0.637 61.538 62.100 0.125 0.000 1.000 39 T CB 2.006 70.898 68.868 0.041 0.000 1.103 39 T HN 1.142 nan 8.240 nan 0.000 0.486 40 V N 1.848 121.782 119.914 0.033 0.000 2.378 40 V HA 0.720 4.840 4.120 -0.000 0.000 0.288 40 V C 0.382 176.533 176.094 0.095 0.000 1.016 40 V CA -0.953 61.355 62.300 0.013 0.000 0.840 40 V CB 1.022 32.713 31.823 -0.220 0.000 0.994 40 V HN 1.275 nan 8.190 nan 0.000 0.431 41 A N 6.720 129.626 122.820 0.143 0.000 2.279 41 A HA 0.736 5.056 4.320 -0.000 0.000 0.306 41 A C -0.425 177.292 177.584 0.221 0.000 1.300 41 A CA -0.302 51.834 52.037 0.164 0.000 0.925 41 A CB 0.001 19.085 19.000 0.139 0.000 1.152 41 A HN 0.831 nan 8.150 nan 0.000 0.544 42 L N 3.259 124.610 121.223 0.213 0.000 2.265 42 L HA 0.391 4.730 4.340 -0.000 0.000 0.288 42 L C -0.409 176.608 176.870 0.244 0.000 1.058 42 L CA -0.333 54.635 54.840 0.212 0.000 0.809 42 L CB 0.556 42.679 42.059 0.107 0.000 1.179 42 L HN 0.772 nan 8.230 nan 0.000 0.429 43 Y N 3.731 124.133 120.300 0.169 0.000 2.485 43 Y HA 0.607 5.156 4.550 -0.001 0.000 0.345 43 Y C -1.034 174.956 175.900 0.149 0.000 0.998 43 Y CA -0.756 57.437 58.100 0.155 0.000 1.059 43 Y CB 1.763 40.301 38.460 0.129 0.000 1.234 43 Y HN 0.533 nan 8.280 nan 0.000 0.461 44 D N 5.466 125.247 120.400 -1.032 0.000 2.812 44 D HA 0.126 4.766 4.640 -0.000 0.000 0.210 44 D C 0.364 176.269 176.300 -0.659 0.000 1.260 44 D CA -0.338 53.271 54.000 -0.652 0.000 0.817 44 D CB 1.628 42.295 40.800 -0.221 0.000 1.694 44 D HN 0.800 nan 8.370 nan 0.000 0.530 45 L N 0.981 121.959 121.223 -0.408 0.000 2.064 45 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 45 L C 1.078 177.903 176.870 -0.076 0.000 1.077 45 L CA 1.395 56.144 54.840 -0.151 0.000 0.766 45 L CB -0.292 41.756 42.059 -0.018 0.000 0.890 45 L HN 0.383 nan 8.230 nan 0.000 0.435 46 D N -0.249 120.111 120.400 -0.067 0.000 2.453 46 D HA 0.008 4.648 4.640 -0.000 0.000 0.223 46 D C 0.794 177.098 176.300 0.007 0.000 1.183 46 D CA -0.120 53.875 54.000 -0.008 0.000 0.933 46 D CB 0.433 41.224 40.800 -0.015 0.000 1.038 46 D HN 0.075 nan 8.370 nan 0.000 0.513 47 F N 3.009 122.906 119.950 -0.089 0.000 2.134 47 F HA -0.163 4.364 4.527 0.000 0.000 0.299 47 F C 2.160 177.932 175.800 -0.046 0.000 1.097 47 F CA 1.425 59.381 58.000 -0.073 0.000 1.264 47 F CB 0.262 39.239 39.000 -0.037 0.000 1.001 47 F HN 0.460 nan 8.300 nan 0.000 0.479 48 E N 0.721 120.920 120.200 -0.003 0.000 2.085 48 E HA -0.279 4.070 4.350 -0.000 0.000 0.194 48 E C 2.122 178.636 176.600 -0.142 0.000 0.994 48 E CA 1.406 57.760 56.400 -0.077 0.000 0.801 48 E CB -0.380 29.319 29.700 -0.001 0.000 0.743 48 E HN 0.463 nan 8.360 nan 0.000 0.453 49 A N 1.256 124.009 122.820 -0.112 0.000 1.929 49 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 49 A C 2.432 179.924 177.584 -0.153 0.000 1.176 49 A CA 1.556 53.527 52.037 -0.110 0.000 0.628 49 A CB -0.602 18.356 19.000 -0.070 0.000 0.816 49 A HN 0.433 nan 8.150 nan 0.000 0.444 50 A N -0.571 122.127 122.820 -0.203 0.000 1.902 50 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 50 A C 2.122 179.545 177.584 -0.268 0.000 1.181 50 A CA 1.692 53.596 52.037 -0.222 0.000 0.623 50 A CB -0.597 18.257 19.000 -0.243 0.000 0.818 50 A HN 0.630 nan 8.150 nan 0.000 0.443 51 Q N -0.285 119.279 119.800 -0.394 0.000 2.061 51 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 51 Q C 2.039 177.933 176.000 -0.177 0.000 0.984 51 Q CA 1.902 57.509 55.803 -0.325 0.000 0.846 51 Q CB -0.211 28.313 28.738 -0.356 0.000 0.902 51 Q HN 0.687 nan 8.270 nan 0.000 0.421 52 K N 0.210 120.519 120.400 -0.152 0.000 2.148 52 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 52 K C 1.691 178.220 176.600 -0.119 0.000 1.050 52 K CA 0.852 57.074 56.287 -0.109 0.000 0.942 52 K CB -0.090 32.354 32.500 -0.094 0.000 0.724 52 K HN 0.153 nan 8.250 nan 0.000 0.446 53 N N 1.490 120.102 118.700 -0.147 0.000 2.188 53 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 53 N C 1.697 177.081 175.510 -0.210 0.000 1.018 53 N CA 0.890 53.828 53.050 -0.187 0.000 0.858 53 N CB -0.020 38.349 38.487 -0.195 0.000 0.989 53 N HN 0.333 nan 8.380 nan 0.000 0.426 54 E N 0.768 120.886 120.200 -0.137 0.000 2.023 54 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 54 E C 1.801 178.355 176.600 -0.075 0.000 1.003 54 E CA 1.248 57.606 56.400 -0.070 0.000 0.809 54 E CB 0.053 29.725 29.700 -0.047 0.000 0.755 54 E HN -0.017 nan 8.360 nan 0.000 0.449 55 V N 1.516 121.398 119.914 -0.054 0.000 2.252 55 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 55 V C 2.479 178.621 176.094 0.080 0.000 1.056 55 V CA 2.038 64.350 62.300 0.020 0.000 1.022 55 V CB -0.435 31.414 31.823 0.043 0.000 0.641 55 V HN 0.361 nan 8.190 nan 0.000 0.445 56 I N 0.345 120.908 120.570 -0.012 0.000 2.315 56 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 56 I C 2.546 178.579 176.117 -0.139 0.000 1.117 56 I CA 1.486 62.769 61.300 -0.029 0.000 1.404 56 I CB -0.911 37.025 38.000 -0.107 0.000 1.071 56 I HN 0.431 nan 8.210 nan 0.000 0.419 57 G N 0.926 109.501 108.800 -0.375 0.000 2.422 57 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 57 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 57 G C 1.333 176.031 174.900 -0.336 0.000 1.146 57 G CA 0.525 45.130 45.100 -0.825 0.000 0.769 57 G HN 0.299 nan 8.290 nan 0.000 0.547 58 N N 0.171 118.798 118.700 -0.121 0.000 2.461 58 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 58 N C 0.566 175.980 175.510 -0.159 0.000 1.134 58 N CA 0.323 53.363 53.050 -0.017 0.000 0.878 58 N CB -0.042 38.425 38.487 -0.034 0.000 0.972 58 N HN 0.468 nan 8.380 nan 0.000 0.456 59 H N -1.551 117.508 119.070 -0.019 0.000 2.505 59 H HA 0.343 4.899 4.556 -0.000 0.000 0.286 59 H C -0.068 175.257 175.328 -0.004 0.000 1.072 59 H CA -0.127 55.915 56.048 -0.010 0.000 1.141 59 H CB 0.619 30.362 29.762 -0.032 0.000 1.550 59 H HN -0.097 nan 8.280 nan 0.000 0.547 60 S N -0.606 115.147 115.700 0.090 0.000 2.664 60 S HA 0.558 5.028 4.470 -0.000 0.000 0.304 60 S C 0.741 175.419 174.600 0.130 0.000 1.099 60 S CA -0.300 57.951 58.200 0.085 0.000 1.003 60 S CB 1.696 64.917 63.200 0.035 0.000 1.092 60 S HN 0.685 nan 8.310 nan 0.000 0.525 61 G N 2.348 111.221 108.800 0.123 0.000 2.581 61 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.289 61 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.289 61 G C 0.032 175.000 174.900 0.112 0.000 1.303 61 G CA 0.512 45.696 45.100 0.140 0.000 0.931 61 G HN 0.726 nan 8.290 nan 0.000 0.555 62 N N 1.551 120.317 118.700 0.109 0.000 2.336 62 N HA 0.364 5.104 4.740 -0.000 0.000 0.189 62 N C 1.707 177.252 175.510 0.058 0.000 1.113 62 N CA 1.849 54.940 53.050 0.068 0.000 0.858 62 N CB 0.303 38.819 38.487 0.048 0.000 0.970 62 N HN 2.077 nan 8.380 nan 0.000 0.471 63 G N 1.101 109.954 108.800 0.089 0.000 2.132 63 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.234 63 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.234 63 G C 0.949 175.864 174.900 0.024 0.000 0.989 63 G CA 0.410 45.551 45.100 0.068 0.000 0.676 63 G HN 0.448 nan 8.290 nan 0.000 0.522 64 R N -1.079 119.446 120.500 0.043 0.000 2.103 64 R HA -0.052 4.288 4.340 -0.000 0.000 0.242 64 R C 0.332 176.460 176.300 -0.287 0.000 1.142 64 R CA 1.483 57.536 56.100 -0.078 0.000 0.960 64 R CB -0.034 30.310 30.300 0.074 0.000 0.858 64 R HN 0.462 nan 8.270 nan 0.000 0.439 65 W N 0.414 121.710 121.300 -0.007 0.000 2.600 65 W HA 0.397 5.057 4.660 -0.001 0.000 0.325 65 W C -0.532 175.903 176.519 -0.139 0.000 1.034 65 W CA -0.971 56.298 57.345 -0.126 0.000 1.226 65 W CB 1.256 30.586 29.460 -0.216 0.000 1.379 65 W HN -0.073 nan 8.180 nan 0.000 0.466 66 R N 2.934 123.439 120.500 0.008 0.000 2.312 66 R HA 0.461 4.801 4.340 -0.000 0.000 0.311 66 R C -1.281 174.996 176.300 -0.039 0.000 1.004 66 R CA -0.356 55.767 56.100 0.037 0.000 0.902 66 R CB 0.635 30.944 30.300 0.015 0.000 1.073 66 R HN 0.512 nan 8.270 nan 0.000 0.457 67 Y N 1.720 122.078 120.300 0.096 0.000 2.420 67 Y HA 0.375 4.925 4.550 -0.000 0.000 0.334 67 Y C -0.137 175.792 175.900 0.049 0.000 1.094 67 Y CA -0.520 57.627 58.100 0.078 0.000 1.126 67 Y CB 2.018 40.503 38.460 0.041 0.000 1.217 67 Y HN 0.570 nan 8.280 nan 0.000 0.462 68 E N 1.340 121.664 120.200 0.207 0.000 2.307 68 E HA 0.627 4.977 4.350 -0.000 0.000 0.280 68 E C -1.689 174.982 176.600 0.119 0.000 0.900 68 E CA -0.805 55.675 56.400 0.133 0.000 0.790 68 E CB 1.164 30.931 29.700 0.111 0.000 1.261 68 E HN 0.780 nan 8.360 nan 0.000 0.405 69 A N 3.102 125.954 122.820 0.054 0.000 2.450 69 A HA 0.506 4.826 4.320 -0.000 0.000 0.255 69 A C 0.007 177.709 177.584 0.196 0.000 1.096 69 A CA -0.198 51.838 52.037 -0.002 0.000 0.778 69 A CB 0.349 19.152 19.000 -0.327 0.000 1.031 69 A HN 0.544 nan 8.150 nan 0.000 0.494 70 V N 0.786 120.890 119.914 0.318 0.000 2.823 70 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 70 V C 0.569 176.999 176.094 0.560 0.000 1.072 70 V CA 0.123 62.663 62.300 0.400 0.000 0.937 70 V CB 1.564 33.533 31.823 0.244 0.000 1.013 70 V HN 1.148 nan 8.190 nan 0.000 0.430 71 S N 1.098 117.015 115.700 0.363 0.000 2.528 71 S HA 0.186 4.656 4.470 -0.000 0.000 0.219 71 S C 0.780 175.566 174.600 0.311 0.000 0.985 71 S CA 0.464 58.777 58.200 0.188 0.000 0.914 71 S CB -0.506 62.541 63.200 -0.256 0.000 0.776 71 S HN 1.517 nan 8.310 nan 0.000 0.526 72 T N -1.646 113.043 114.554 0.225 0.000 2.912 72 T HA 0.599 4.949 4.350 -0.000 0.000 0.299 72 T C 0.683 175.188 174.700 -0.325 0.000 1.052 72 T CA -0.889 61.199 62.100 -0.020 0.000 0.996 72 T CB 1.319 70.138 68.868 -0.081 0.000 1.070 72 T HN -0.011 nan 8.240 nan 0.000 0.465 73 L N 1.255 122.054 121.223 -0.707 0.000 1.997 73 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 73 L C 2.931 179.610 176.870 -0.320 0.000 1.074 73 L CA 2.275 56.750 54.840 -0.609 0.000 0.763 73 L CB -0.408 41.399 42.059 -0.421 0.000 0.890 73 L HN 0.908 nan 8.230 nan 0.000 0.434 74 K N 0.350 120.538 120.400 -0.354 0.000 2.063 74 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 74 K C 2.181 178.530 176.600 -0.418 0.000 1.048 74 K CA 2.009 57.908 56.287 -0.648 0.000 0.928 74 K CB -0.079 31.898 32.500 -0.872 0.000 0.713 74 K HN 0.080 nan 8.250 nan 0.000 0.442 75 K N -0.004 120.248 120.400 -0.248 0.000 2.025 75 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 75 K C 2.019 178.582 176.600 -0.062 0.000 1.049 75 K CA 1.305 57.517 56.287 -0.125 0.000 0.933 75 K CB -0.268 32.205 32.500 -0.045 0.000 0.714 75 K HN 0.294 nan 8.250 nan 0.000 0.438 76 A N 0.795 123.591 122.820 -0.039 0.000 1.908 76 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 76 A C 2.072 179.664 177.584 0.013 0.000 1.181 76 A CA 1.512 53.567 52.037 0.030 0.000 0.627 76 A CB -0.642 18.396 19.000 0.063 0.000 0.818 76 A HN 0.321 nan 8.150 nan 0.000 0.445 77 L N -0.484 120.718 121.223 -0.034 0.000 2.240 77 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 77 L C 1.479 178.365 176.870 0.027 0.000 1.106 77 L CA 0.290 55.139 54.840 0.015 0.000 0.793 77 L CB -0.296 41.797 42.059 0.056 0.000 0.927 77 L HN 0.343 nan 8.230 nan 0.000 0.446 78 S N 0.618 116.305 115.700 -0.022 0.000 2.596 78 S HA 0.143 4.613 4.470 -0.000 0.000 0.298 78 S C 1.213 175.826 174.600 0.022 0.000 1.255 78 S CA 0.233 58.429 58.200 -0.008 0.000 1.083 78 S CB 0.159 63.325 63.200 -0.057 0.000 0.837 78 S HN 0.465 nan 8.310 nan 0.000 0.499 79 A N 2.513 125.354 122.820 0.036 0.000 2.816 79 A HA -0.116 4.204 4.320 -0.000 0.000 0.270 79 A C 0.671 178.286 177.584 0.052 0.000 1.413 79 A CA 0.904 52.965 52.037 0.039 0.000 0.866 79 A CB -2.371 16.646 19.000 0.029 0.000 1.032 79 A HN 1.928 nan 8.150 nan 0.000 0.642 80 A N -0.153 122.703 122.820 0.059 0.000 2.409 80 A HA 0.503 4.823 4.320 -0.000 0.000 0.262 80 A C 1.002 178.636 177.584 0.083 0.000 1.113 80 A CA 0.310 52.393 52.037 0.076 0.000 0.790 80 A CB 0.205 19.250 19.000 0.076 0.000 1.046 80 A HN 0.423 nan 8.150 nan 0.000 0.496 81 D N 1.121 121.583 120.400 0.104 0.000 2.162 81 D HA 0.039 4.679 4.640 -0.000 0.000 0.203 81 D C 0.375 176.764 176.300 0.148 0.000 0.967 81 D CA 1.255 55.329 54.000 0.123 0.000 0.840 81 D CB 0.212 41.093 40.800 0.134 0.000 0.972 81 D HN 0.401 nan 8.370 nan 0.000 0.482 82 I N 1.315 121.968 120.570 0.139 0.000 2.582 82 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 82 I C -0.563 175.614 176.117 0.101 0.000 1.066 82 I CA -0.756 60.628 61.300 0.140 0.000 1.053 82 I CB 2.567 40.648 38.000 0.134 0.000 1.241 82 I HN -0.359 nan 8.210 nan 0.000 0.421 83 V N 6.725 126.685 119.914 0.078 0.000 2.444 83 V HA 0.513 4.633 4.120 -0.000 0.000 0.294 83 V C -0.015 176.070 176.094 -0.016 0.000 1.022 83 V CA -0.495 61.825 62.300 0.035 0.000 0.850 83 V CB 2.298 34.137 31.823 0.027 0.000 0.992 83 V HN 0.455 nan 8.190 nan 0.000 0.426 84 I N 5.710 126.225 120.570 -0.092 0.000 2.404 84 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 84 I C -0.631 175.295 176.117 -0.318 0.000 0.992 84 I CA -0.421 60.747 61.300 -0.220 0.000 1.149 84 I CB 1.842 39.624 38.000 -0.363 0.000 1.315 84 I HN 0.442 nan 8.210 nan 0.000 0.446 85 I N 4.915 125.374 120.570 -0.186 0.000 2.410 85 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 85 I C -0.198 175.919 176.117 -0.000 0.000 1.009 85 I CA -0.218 61.028 61.300 -0.090 0.000 1.111 85 I CB 1.820 39.846 38.000 0.043 0.000 1.262 85 I HN 0.438 nan 8.210 nan 0.000 0.443 86 S N 8.122 123.843 115.700 0.036 0.000 2.312 86 S HA 0.558 5.028 4.470 -0.000 0.000 0.173 86 S C -0.592 174.163 174.600 0.257 0.000 1.488 86 S CA -0.553 57.757 58.200 0.183 0.000 1.239 86 S CB 0.039 63.404 63.200 0.275 0.000 1.215 86 S HN 0.553 nan 8.310 nan 0.000 0.438 87 I N 0.578 121.290 120.570 0.237 0.000 3.133 87 I HA 0.792 4.962 4.170 -0.000 0.000 0.311 87 I C -1.258 174.997 176.117 0.230 0.000 1.072 87 I CA -1.487 59.939 61.300 0.210 0.000 1.015 87 I CB 1.509 39.590 38.000 0.134 0.000 1.233 87 I HN 0.387 nan 8.210 nan 0.000 0.473 88 L N 3.570 124.906 121.223 0.187 0.000 2.294 88 L HA 0.628 4.968 4.340 -0.000 0.000 0.283 88 L C -2.551 174.414 176.870 0.159 0.000 1.015 88 L CA -1.890 53.057 54.840 0.178 0.000 0.831 88 L CB 0.892 43.041 42.059 0.150 0.000 1.217 88 L HN 0.386 nan 8.230 nan 0.000 0.420 89 P HA 0.421 nan 4.420 nan 0.000 0.268 89 P C 0.182 177.555 177.300 0.122 0.000 1.485 89 P CA 0.320 63.519 63.100 0.164 0.000 1.102 89 P CB 0.188 32.003 31.700 0.193 0.000 1.501 90 G N 2.298 111.158 108.800 0.100 0.000 2.610 90 G HA2 0.001 3.961 3.960 -0.000 0.000 0.304 90 G HA3 0.001 3.961 3.960 -0.000 0.000 0.304 90 G C -0.275 174.671 174.900 0.078 0.000 1.309 90 G CA -0.262 44.885 45.100 0.079 0.000 0.906 90 G HN 0.630 nan 8.290 nan 0.000 0.521 91 S N -1.284 114.455 115.700 0.066 0.000 2.758 91 S HA 0.727 5.197 4.470 -0.000 0.000 0.292 91 S C 1.572 176.213 174.600 0.069 0.000 1.131 91 S CA -0.172 58.065 58.200 0.063 0.000 0.997 91 S CB 1.622 64.852 63.200 0.049 0.000 1.111 91 S HN 1.003 nan 8.310 nan 0.000 0.552 92 L N 0.385 121.648 121.223 0.066 0.000 2.217 92 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 92 L C 1.690 178.603 176.870 0.072 0.000 1.107 92 L CA 1.037 55.921 54.840 0.074 0.000 0.783 92 L CB -0.575 41.524 42.059 0.067 0.000 0.919 92 L HN 0.671 nan 8.230 nan 0.000 0.442 93 D N -0.251 120.184 120.400 0.058 0.000 2.117 93 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 93 D C 0.798 177.131 176.300 0.056 0.000 0.982 93 D CA 0.751 54.784 54.000 0.054 0.000 0.828 93 D CB -0.170 40.654 40.800 0.040 0.000 0.967 93 D HN 0.245 nan 8.370 nan 0.000 0.464 97 V N 2.075 122.039 119.914 0.084 0.000 2.244 97 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 97 V C 1.621 177.744 176.094 0.049 0.000 1.042 97 V CA 2.370 64.707 62.300 0.063 0.000 1.006 97 V CB -0.568 31.279 31.823 0.039 0.000 0.641 97 V HN 0.304 nan 8.190 nan 0.000 0.446 98 D N 0.259 120.685 120.400 0.042 0.000 2.154 98 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 98 D C 1.994 178.291 176.300 -0.005 0.000 1.003 98 D CA 1.810 55.833 54.000 0.039 0.000 0.849 98 D CB -0.413 40.413 40.800 0.043 0.000 0.942 98 D HN 0.369 nan 8.370 nan 0.000 0.446 99 V N -0.228 119.638 119.914 -0.080 0.000 2.725 99 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 99 V C 1.754 177.633 176.094 -0.357 0.000 1.058 99 V CA 1.109 63.265 62.300 -0.241 0.000 1.080 99 V CB -0.100 31.508 31.823 -0.359 0.000 0.713 99 V HN 0.283 nan 8.190 nan 0.000 0.465 100 H N -1.751 117.324 119.070 0.008 0.000 2.695 100 H HA 0.230 4.786 4.556 -0.000 0.000 0.267 100 H C 1.906 177.209 175.328 -0.042 0.000 0.973 100 H CA 0.337 56.369 56.048 -0.026 0.000 1.223 100 H CB 0.337 30.098 29.762 -0.001 0.000 1.442 100 H HN 0.255 nan 8.280 nan 0.000 0.478 101 L N 2.658 123.938 121.223 0.094 0.000 2.043 101 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 101 L C -0.958 175.929 176.870 0.028 0.000 1.075 101 L CA 1.810 56.684 54.840 0.057 0.000 0.752 101 L CB -1.112 40.980 42.059 0.055 0.000 0.891 101 L HN 0.069 nan 8.230 nan 0.000 0.432 102 P HA -0.114 nan 4.420 nan 0.000 0.230 102 P C 1.177 178.426 177.300 -0.085 0.000 1.158 102 P CA 0.966 64.070 63.100 0.007 0.000 0.769 102 P CB -0.024 31.685 31.700 0.015 0.000 0.807 103 E N 0.150 120.248 120.200 -0.169 0.000 2.153 103 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 103 E C 2.093 178.602 176.600 -0.152 0.000 0.988 103 E CA 0.725 56.912 56.400 -0.355 0.000 0.811 103 E CB -0.336 29.117 29.700 -0.413 0.000 0.746 103 E HN 0.371 nan 8.360 nan 0.000 0.466 104 R N 0.247 120.716 120.500 -0.052 0.000 2.193 104 R HA -0.078 4.261 4.340 -0.000 0.000 0.229 104 R C 1.264 177.576 176.300 0.019 0.000 1.110 104 R CA 1.424 57.524 56.100 0.000 0.000 0.988 104 R CB -0.384 29.926 30.300 0.016 0.000 0.871 104 R HN 0.129 nan 8.270 nan 0.000 0.458 105 C N 0.726 120.036 119.300 0.016 0.000 2.780 105 C HA 0.441 4.901 4.460 -0.000 0.000 0.287 105 C C 1.297 176.315 174.990 0.046 0.000 1.288 105 C CA 0.007 59.051 59.018 0.043 0.000 1.713 105 C CB -0.295 27.484 27.740 0.064 0.000 1.955 105 C HN 0.840 nan 8.230 nan 0.000 0.613 106 G N 1.459 110.280 108.800 0.035 0.000 2.143 106 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 106 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 106 G C -0.084 174.891 174.900 0.125 0.000 0.981 106 G CA -0.168 45.003 45.100 0.118 0.000 0.665 106 G HN 0.579 nan 8.290 nan 0.000 0.528 107 I N 0.911 121.470 120.570 -0.019 0.000 2.312 107 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 107 I C 0.118 176.138 176.117 -0.163 0.000 1.031 107 I CA -0.889 60.405 61.300 -0.010 0.000 1.293 107 I CB 0.523 38.511 38.000 -0.021 0.000 1.403 107 I HN 0.063 nan 8.210 nan 0.000 0.484 108 Y N 5.039 125.364 120.300 0.041 0.000 2.387 108 Y HA 0.494 5.044 4.550 -0.000 0.000 0.336 108 Y C 0.055 175.978 175.900 0.037 0.000 1.067 108 Y CA -0.514 57.615 58.100 0.049 0.000 1.114 108 Y CB 1.514 40.009 38.460 0.059 0.000 1.208 108 Y HN 0.456 nan 8.280 nan 0.000 0.458 109 Q N 0.502 120.381 119.800 0.133 0.000 2.323 109 Q HA 0.267 4.607 4.340 -0.000 0.000 0.271 109 Q C 0.136 176.191 176.000 0.092 0.000 1.048 109 Q CA -0.504 55.345 55.803 0.076 0.000 0.792 109 Q CB 2.165 30.898 28.738 -0.008 0.000 1.280 109 Q HN 0.866 nan 8.270 nan 0.000 0.441 110 S N 0.115 115.885 115.700 0.115 0.000 2.406 110 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 110 S C 1.257 175.880 174.600 0.038 0.000 1.030 110 S CA 0.793 59.061 58.200 0.113 0.000 0.958 110 S CB 0.214 63.552 63.200 0.231 0.000 0.811 110 S HN 0.407 nan 8.310 nan 0.000 0.489 111 V N -0.064 119.868 119.914 0.029 0.000 3.102 111 V HA 0.519 4.639 4.120 -0.000 0.000 0.225 111 V C 1.691 177.816 176.094 0.051 0.000 1.301 111 V CA 0.236 62.559 62.300 0.038 0.000 1.308 111 V CB -0.960 30.895 31.823 0.054 0.000 1.129 111 V HN 0.603 nan 8.190 nan 0.000 0.502 112 G N 2.521 111.347 108.800 0.043 0.000 2.176 112 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.252 112 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.252 112 G C 0.253 175.190 174.900 0.063 0.000 1.024 112 G CA 0.737 45.852 45.100 0.025 0.000 0.755 112 G HN 0.722 nan 8.290 nan 0.000 0.507 113 D N -1.841 118.627 120.400 0.113 0.000 2.469 113 D HA 0.241 4.881 4.640 -0.000 0.000 0.215 113 D C 1.258 177.640 176.300 0.136 0.000 1.154 113 D CA 1.048 55.132 54.000 0.141 0.000 0.832 113 D CB 0.084 41.003 40.800 0.198 0.000 1.008 113 D HN 0.255 nan 8.370 nan 0.000 0.506 114 T N -0.888 113.729 114.554 0.105 0.000 3.409 114 T HA 0.266 4.616 4.350 -0.000 0.000 0.242 114 T C 0.813 175.477 174.700 -0.061 0.000 1.000 114 T CA 1.105 63.256 62.100 0.085 0.000 1.180 114 T CB 0.447 69.475 68.868 0.267 0.000 1.210 114 T HN 0.119 nan 8.240 nan 0.000 0.373 115 V N -1.239 118.543 119.914 -0.220 0.000 3.528 115 V HA 0.973 5.093 4.120 -0.000 0.000 0.301 115 V C 0.631 176.609 176.094 -0.193 0.000 1.332 115 V CA -0.266 61.870 62.300 -0.274 0.000 1.004 115 V CB 0.484 31.954 31.823 -0.589 0.000 1.222 115 V HN 0.985 nan 8.190 nan 0.000 0.478 116 G N -0.265 108.420 108.800 -0.192 0.000 2.796 116 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.226 116 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.226 116 G C -1.788 173.023 174.900 -0.148 0.000 1.381 116 G CA 0.135 45.135 45.100 -0.166 0.000 0.867 116 G HN 0.815 nan 8.290 nan 0.000 0.552 117 P HA -0.032 nan 4.420 nan 0.000 0.216 117 P C 2.045 179.432 177.300 0.145 0.000 1.153 117 P CA 2.447 65.500 63.100 -0.080 0.000 0.848 117 P CB -0.334 31.356 31.700 -0.017 0.000 0.787 118 G N -0.173 108.665 108.800 0.064 0.000 2.402 118 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 118 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 118 G C 1.841 176.784 174.900 0.073 0.000 1.162 118 G CA 0.904 46.045 45.100 0.069 0.000 0.777 118 G HN 0.361 nan 8.290 nan 0.000 0.539 119 G N 1.218 110.041 108.800 0.038 0.000 2.418 119 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.217 119 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.217 119 G C 1.668 176.613 174.900 0.075 0.000 1.158 119 G CA 0.947 46.069 45.100 0.037 0.000 0.771 119 G HN 0.305 nan 8.290 nan 0.000 0.545 120 I N 1.304 121.940 120.570 0.110 0.000 2.179 120 I HA -0.103 4.067 4.170 -0.000 0.000 0.242 120 I C 2.762 179.009 176.117 0.217 0.000 1.088 120 I CA 0.817 62.230 61.300 0.189 0.000 1.357 120 I CB -0.907 37.288 38.000 0.325 0.000 1.051 120 I HN 0.100 nan 8.210 nan 0.000 0.409 121 I N 0.501 121.205 120.570 0.223 0.000 2.252 121 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 121 I C 2.703 178.883 176.117 0.105 0.000 1.102 121 I CA 1.142 62.532 61.300 0.151 0.000 1.385 121 I CB -1.110 36.960 38.000 0.117 0.000 1.064 121 I HN 0.315 nan 8.210 nan 0.000 0.414 122 R N 1.123 121.684 120.500 0.102 0.000 2.081 122 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 122 R C 2.374 178.731 176.300 0.095 0.000 1.131 122 R CA 1.664 57.820 56.100 0.094 0.000 0.960 122 R CB -0.529 29.827 30.300 0.094 0.000 0.856 122 R HN 0.353 nan 8.270 nan 0.000 0.436 123 G N 1.745 110.598 108.800 0.089 0.000 2.491 123 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 123 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 123 G C 1.291 176.247 174.900 0.092 0.000 1.180 123 G CA 0.605 45.750 45.100 0.075 0.000 0.774 123 G HN 0.195 nan 8.290 nan 0.000 0.562 124 L N 0.672 121.959 121.223 0.107 0.000 2.013 124 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 124 L C 2.825 179.750 176.870 0.091 0.000 1.073 124 L CA 1.896 56.798 54.840 0.104 0.000 0.753 124 L CB -1.174 40.949 42.059 0.105 0.000 0.890 124 L HN 0.256 nan 8.230 nan 0.000 0.432 125 R N -1.039 119.513 120.500 0.086 0.000 2.103 125 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 125 R C 2.050 178.425 176.300 0.124 0.000 1.142 125 R CA 1.610 57.763 56.100 0.088 0.000 0.960 125 R CB -0.199 30.151 30.300 0.083 0.000 0.858 125 R HN 0.424 nan 8.270 nan 0.000 0.439 126 A N -0.426 122.484 122.820 0.151 0.000 2.072 126 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 126 A C 2.098 179.855 177.584 0.289 0.000 1.156 126 A CA 0.614 52.799 52.037 0.246 0.000 0.701 126 A CB -0.057 19.081 19.000 0.230 0.000 0.816 126 A HN 0.174 nan 8.150 nan 0.000 0.458 127 V N 1.501 121.522 119.914 0.178 0.000 2.231 127 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 127 V C 0.011 176.207 176.094 0.170 0.000 1.054 127 V CA 2.669 65.066 62.300 0.162 0.000 1.015 127 V CB -1.575 30.313 31.823 0.108 0.000 0.638 127 V HN 0.458 nan 8.190 nan 0.000 0.444 128 P HA -0.122 nan 4.420 nan 0.000 0.218 128 P C 1.827 179.180 177.300 0.088 0.000 1.149 128 P CA 1.574 64.730 63.100 0.094 0.000 0.817 128 P CB -0.052 31.690 31.700 0.070 0.000 0.785 129 I N -1.772 118.862 120.570 0.107 0.000 2.226 129 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 129 I C 2.336 178.413 176.117 -0.067 0.000 1.100 129 I CA 1.522 62.837 61.300 0.025 0.000 1.374 129 I CB -0.643 37.375 38.000 0.030 0.000 1.057 129 I HN -0.190 nan 8.210 nan 0.000 0.413 130 F N 0.578 120.554 119.950 0.042 0.000 2.293 130 F HA -0.041 4.486 4.527 0.000 0.000 0.297 130 F C 2.559 178.374 175.800 0.025 0.000 1.089 130 F CA 0.964 58.983 58.000 0.033 0.000 1.377 130 F CB -0.472 38.547 39.000 0.031 0.000 1.051 130 F HN -0.036 nan 8.300 nan 0.000 0.511 131 A N -0.114 122.804 122.820 0.164 0.000 1.908 131 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 131 A C 2.144 179.750 177.584 0.036 0.000 1.181 131 A CA 2.011 54.105 52.037 0.093 0.000 0.627 131 A CB -0.833 18.213 19.000 0.077 0.000 0.818 131 A HN 0.436 nan 8.150 nan 0.000 0.445 132 E N -0.295 119.913 120.200 0.014 0.000 2.051 132 E HA -0.164 4.185 4.350 -0.000 0.000 0.192 132 E C 1.879 178.450 176.600 -0.048 0.000 0.991 132 E CA 1.266 57.654 56.400 -0.020 0.000 0.799 132 E CB -0.223 29.465 29.700 -0.019 0.000 0.748 132 E HN 0.658 nan 8.360 nan 0.000 0.449 133 I N 0.941 121.463 120.570 -0.079 0.000 2.286 133 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 133 I C 2.536 178.630 176.117 -0.039 0.000 1.115 133 I CA 0.993 62.236 61.300 -0.096 0.000 1.392 133 I CB -0.290 37.590 38.000 -0.200 0.000 1.065 133 I HN 0.194 nan 8.210 nan 0.000 0.418 134 A N 0.738 123.564 122.820 0.010 0.000 1.933 134 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 134 A C 2.399 179.954 177.584 -0.048 0.000 1.175 134 A CA 1.479 53.545 52.037 0.047 0.000 0.628 134 A CB -0.526 18.535 19.000 0.101 0.000 0.814 134 A HN 0.314 nan 8.150 nan 0.000 0.444 135 R N -0.688 119.760 120.500 -0.087 0.000 2.075 135 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 135 R C 2.514 178.654 176.300 -0.267 0.000 1.126 135 R CA 1.145 57.135 56.100 -0.183 0.000 0.963 135 R CB -0.433 29.790 30.300 -0.128 0.000 0.858 135 R HN 0.517 nan 8.270 nan 0.000 0.435 136 A N 1.260 123.979 122.820 -0.168 0.000 1.877 136 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 136 A C 2.138 179.628 177.584 -0.157 0.000 1.186 136 A CA 1.220 53.179 52.037 -0.130 0.000 0.620 136 A CB -0.481 18.540 19.000 0.035 0.000 0.822 136 A HN 0.180 nan 8.150 nan 0.000 0.443 137 I N -0.996 119.507 120.570 -0.112 0.000 2.226 137 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 137 I C 2.728 178.691 176.117 -0.256 0.000 1.100 137 I CA 1.622 62.876 61.300 -0.076 0.000 1.374 137 I CB -0.319 37.701 38.000 0.034 0.000 1.057 137 I HN 0.391 nan 8.210 nan 0.000 0.413 138 R N 0.976 121.125 120.500 -0.586 0.000 2.081 138 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 138 R C 1.695 177.591 176.300 -0.673 0.000 1.131 138 R CA 2.050 57.453 56.100 -1.162 0.000 0.960 138 R CB -0.135 29.323 30.300 -1.403 0.000 0.856 138 R HN 0.307 nan 8.270 nan 0.000 0.436 139 D N -0.926 119.094 120.400 -0.633 0.000 2.194 139 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 139 D C 1.053 176.970 176.300 -0.638 0.000 0.964 139 D CA 1.216 54.783 54.000 -0.721 0.000 0.846 139 D CB 0.045 40.218 40.800 -1.045 0.000 0.962 139 D HN 0.366 nan 8.370 nan 0.000 0.490 140 Y N -0.686 119.530 120.300 -0.141 0.000 2.444 140 Y HA 0.541 5.092 4.550 0.000 0.000 0.252 140 Y C 0.887 176.745 175.900 -0.069 0.000 1.091 140 Y CA -0.449 57.595 58.100 -0.093 0.000 1.276 140 Y CB 0.727 39.137 38.460 -0.084 0.000 1.170 140 Y HN -0.107 nan 8.280 nan 0.000 0.517 141 A N 0.209 123.048 122.820 0.031 0.000 3.214 141 A HA 0.335 4.655 4.320 -0.000 0.000 0.203 141 A C -2.001 175.594 177.584 0.020 0.000 0.960 141 A CA -0.557 51.501 52.037 0.035 0.000 1.113 141 A CB -0.089 18.946 19.000 0.057 0.000 1.280 141 A HN -0.038 nan 8.150 nan 0.000 0.573 142 P HA -0.156 nan 4.420 nan 0.000 0.219 142 P C 0.564 177.911 177.300 0.078 0.000 1.146 142 P CA 1.286 64.447 63.100 0.102 0.000 0.808 142 P CB 0.370 32.090 31.700 0.034 0.000 0.779 143 E N 0.052 120.252 120.200 -0.000 0.000 2.474 143 E HA 0.051 4.400 4.350 -0.000 0.000 0.195 143 E C 0.927 177.458 176.600 -0.114 0.000 1.039 143 E CA 0.119 56.480 56.400 -0.064 0.000 0.881 143 E CB -0.029 29.658 29.700 -0.021 0.000 0.970 143 E HN 0.336 nan 8.360 nan 0.000 0.486 144 S N -0.302 115.355 115.700 -0.071 0.000 2.585 144 S HA 0.208 4.678 4.470 -0.000 0.000 0.273 144 S C -0.128 174.371 174.600 -0.167 0.000 1.339 144 S CA -0.692 57.487 58.200 -0.036 0.000 1.028 144 S CB 0.732 63.949 63.200 0.029 0.000 0.906 144 S HN 0.111 nan 8.310 nan 0.000 0.528 145 W N 1.043 122.345 121.300 0.005 0.000 2.315 145 W HA 0.534 5.194 4.660 -0.000 0.000 0.316 145 W C -0.725 175.778 176.519 -0.027 0.000 1.211 145 W CA -0.604 56.731 57.345 -0.018 0.000 1.201 145 W CB 1.185 30.634 29.460 -0.018 0.000 1.184 145 W HN 0.470 nan 8.180 nan 0.000 0.544 146 V N 6.090 126.123 119.914 0.198 0.000 2.409 146 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 146 V C -0.175 175.954 176.094 0.058 0.000 1.020 146 V CA -0.940 61.404 62.300 0.074 0.000 0.848 146 V CB 1.116 32.932 31.823 -0.011 0.000 0.990 146 V HN 0.297 nan 8.190 nan 0.000 0.430 147 I N 4.340 124.894 120.570 -0.028 0.000 2.354 147 I HA 0.388 4.558 4.170 -0.000 0.000 0.286 147 I C -0.203 175.735 176.117 -0.297 0.000 1.007 147 I CA -0.437 60.757 61.300 -0.177 0.000 1.167 147 I CB 1.543 39.408 38.000 -0.225 0.000 1.320 147 I HN 0.536 nan 8.210 nan 0.000 0.458 148 N N 4.659 123.176 118.700 -0.305 0.000 2.455 148 N HA 0.256 4.996 4.740 -0.000 0.000 0.280 148 N C -0.378 174.820 175.510 -0.521 0.000 1.055 148 N CA 0.043 52.936 53.050 -0.263 0.000 0.961 148 N CB 0.806 39.232 38.487 -0.102 0.000 1.121 148 N HN 0.354 nan 8.380 nan 0.000 0.476 149 Y N 0.300 120.426 120.300 -0.290 0.000 2.453 149 Y HA 0.273 4.823 4.550 -0.000 0.000 0.247 149 Y C 0.493 176.227 175.900 -0.277 0.000 1.124 149 Y CA -0.126 57.654 58.100 -0.533 0.000 1.243 149 Y CB 0.353 38.131 38.460 -1.136 0.000 1.213 149 Y HN 0.360 nan 8.280 nan 0.000 0.523 150 T N 2.297 116.875 114.554 0.040 0.000 2.907 150 T HA 0.146 4.496 4.350 -0.000 0.000 0.298 150 T C 0.020 174.740 174.700 0.035 0.000 1.017 150 T CA -0.367 61.815 62.100 0.136 0.000 1.118 150 T CB 0.423 69.487 68.868 0.327 0.000 0.948 150 T HN 0.076 nan 8.240 nan 0.000 0.531 151 N N 3.238 121.996 118.700 0.098 0.000 2.430 151 N HA 0.434 5.174 4.740 -0.000 0.000 0.298 151 N C -2.424 173.120 175.510 0.058 0.000 1.130 151 N CA -1.708 51.376 53.050 0.056 0.000 0.894 151 N CB 1.502 40.078 38.487 0.147 0.000 1.209 151 N HN 0.325 nan 8.380 nan 0.000 0.503 155 V N 2.281 122.146 119.914 -0.082 0.000 2.270 155 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 155 V C 2.452 178.448 176.094 -0.165 0.000 1.043 155 V CA 2.353 64.605 62.300 -0.081 0.000 1.014 155 V CB -0.822 30.974 31.823 -0.045 0.000 0.645 155 V HN 0.719 nan 8.190 nan 0.000 0.447 156 C N -0.076 119.020 119.300 -0.340 0.000 2.393 156 C HA -0.225 4.235 4.460 -0.000 0.000 0.276 156 C C 3.011 177.726 174.990 -0.458 0.000 1.215 156 C CA 1.990 60.558 59.018 -0.750 0.000 1.743 156 C CB -1.417 25.549 27.740 -1.290 0.000 2.044 156 C HN 0.642 nan 8.230 nan 0.000 0.464 157 T N 0.043 114.436 114.554 -0.268 0.000 2.746 157 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 157 T C 1.941 176.684 174.700 0.072 0.000 1.039 157 T CA 1.676 63.735 62.100 -0.069 0.000 1.142 157 T CB -0.316 68.530 68.868 -0.037 0.000 0.866 157 T HN 0.446 nan 8.240 nan 0.000 0.444 158 R N 1.112 121.626 120.500 0.023 0.000 2.096 158 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 158 R C 2.158 178.516 176.300 0.096 0.000 1.127 158 R CA 1.082 57.226 56.100 0.074 0.000 0.968 158 R CB -1.065 29.244 30.300 0.016 0.000 0.861 158 R HN 0.246 nan 8.270 nan 0.000 0.440 159 V N 0.845 120.785 119.914 0.044 0.000 2.392 159 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 159 V C 2.304 178.462 176.094 0.107 0.000 1.059 159 V CA 1.839 64.186 62.300 0.079 0.000 1.051 159 V CB -0.467 31.411 31.823 0.092 0.000 0.658 159 V HN 0.319 nan 8.190 nan 0.000 0.455 160 L N -1.492 119.789 121.223 0.097 0.000 2.012 160 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 160 L C 2.505 179.336 176.870 -0.066 0.000 1.073 160 L CA 2.106 56.966 54.840 0.033 0.000 0.748 160 L CB -0.683 41.355 42.059 -0.035 0.000 0.891 160 L HN 0.314 nan 8.230 nan 0.000 0.431 161 Y N -0.023 120.269 120.300 -0.013 0.000 2.242 161 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 161 Y C 2.608 178.501 175.900 -0.012 0.000 1.137 161 Y CA 1.188 59.258 58.100 -0.050 0.000 1.181 161 Y CB -0.175 38.245 38.460 -0.066 0.000 0.989 161 Y HN 0.050 nan 8.280 nan 0.000 0.527 162 K N -0.617 119.874 120.400 0.153 0.000 2.097 162 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 162 K C 1.818 178.472 176.600 0.091 0.000 1.049 162 K CA 1.483 57.831 56.287 0.103 0.000 0.933 162 K CB -0.178 32.371 32.500 0.082 0.000 0.717 162 K HN 0.136 nan 8.250 nan 0.000 0.442 163 V N -0.035 119.937 119.914 0.097 0.000 2.599 163 V HA -0.033 4.087 4.120 -0.000 0.000 0.245 163 V C 0.421 176.608 176.094 0.155 0.000 1.046 163 V CA 0.705 63.064 62.300 0.098 0.000 1.065 163 V CB -0.022 31.853 31.823 0.087 0.000 0.703 163 V HN 0.176 nan 8.190 nan 0.000 0.464 164 F N 1.945 121.860 119.950 -0.058 0.000 2.564 164 F HA 0.549 5.077 4.527 0.000 0.000 0.361 164 F C -2.343 173.398 175.800 -0.099 0.000 1.161 164 F CA -3.626 54.317 58.000 -0.094 0.000 1.198 164 F CB 1.347 40.265 39.000 -0.137 0.000 1.424 164 F HN 0.023 nan 8.300 nan 0.000 0.517 165 P HA -0.113 nan 4.420 nan 0.000 0.217 165 P C 1.515 178.682 177.300 -0.221 0.000 1.148 165 P CA 1.853 64.933 63.100 -0.033 0.000 0.834 165 P CB 0.223 31.947 31.700 0.040 0.000 0.783 166 G N -1.615 106.899 108.800 -0.476 0.000 3.042 166 G HA2 0.040 4.000 3.960 -0.000 0.000 0.212 166 G HA3 0.040 4.000 3.960 -0.000 0.000 0.212 166 G C 0.480 174.750 174.900 -1.049 0.000 1.166 166 G CA -0.309 44.465 45.100 -0.542 0.000 0.767 166 G HN 0.268 nan 8.290 nan 0.000 0.546 167 I N 0.432 120.009 120.570 -1.655 0.000 2.813 167 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 167 I C -0.171 175.442 176.117 -0.840 0.000 1.196 167 I CA 0.005 60.442 61.300 -1.439 0.000 1.421 167 I CB 0.672 37.965 38.000 -1.179 0.000 1.365 167 I HN -0.058 nan 8.210 nan 0.000 0.591 168 K N 7.120 127.079 120.400 -0.734 0.000 2.357 168 K HA 0.566 4.885 4.320 -0.000 0.000 0.251 168 K C -0.965 175.357 176.600 -0.464 0.000 1.069 168 K CA -0.271 55.501 56.287 -0.859 0.000 0.994 168 K CB 1.217 32.688 32.500 -1.715 0.000 1.411 168 K HN 0.574 nan 8.250 nan 0.000 0.450 169 A N 3.366 126.117 122.820 -0.114 0.000 2.393 169 A HA 0.772 5.092 4.320 -0.000 0.000 0.306 169 A C -0.646 177.094 177.584 0.260 0.000 1.050 169 A CA -0.896 51.164 52.037 0.038 0.000 0.724 169 A CB 0.746 19.622 19.000 -0.207 0.000 1.248 169 A HN 0.750 nan 8.150 nan 0.000 0.424 170 I N -0.643 120.029 120.570 0.171 0.000 2.892 170 I HA 0.925 5.095 4.170 -0.000 0.000 0.306 170 I C 0.113 176.197 176.117 -0.055 0.000 1.078 170 I CA -1.113 60.236 61.300 0.082 0.000 1.032 170 I CB 2.474 40.500 38.000 0.043 0.000 1.229 170 I HN 0.644 nan 8.210 nan 0.000 0.435 171 G N 3.029 111.771 108.800 -0.097 0.000 2.368 171 G HA2 0.577 4.537 3.960 -0.000 0.000 0.320 171 G HA3 0.577 4.537 3.960 -0.000 0.000 0.320 171 G C -1.146 173.606 174.900 -0.246 0.000 1.158 171 G CA -0.391 44.590 45.100 -0.198 0.000 0.912 171 G HN 0.751 nan 8.290 nan 0.000 0.456 172 C N 1.372 120.434 119.300 -0.397 0.000 2.417 172 C HA 0.771 5.231 4.460 -0.000 0.000 0.324 172 C C 0.209 175.056 174.990 -0.239 0.000 1.240 172 C CA -0.715 58.105 59.018 -0.330 0.000 1.632 172 C CB 0.362 27.847 27.740 -0.425 0.000 2.241 172 C HN 0.892 nan 8.230 nan 0.000 0.499 173 C N 4.045 123.265 119.300 -0.134 0.000 2.994 173 C HA 0.601 5.061 4.460 -0.000 0.000 0.305 173 C C 0.876 175.786 174.990 -0.134 0.000 1.251 173 C CA -0.483 58.464 59.018 -0.119 0.000 1.478 173 C CB 0.858 28.480 27.740 -0.198 0.000 1.922 173 C HN 1.084 nan 8.230 nan 0.000 0.472 174 H N 1.268 120.366 119.070 0.046 0.000 2.594 174 H HA 0.248 4.804 4.556 -0.000 0.000 0.279 174 H C 0.785 175.977 175.328 -0.226 0.000 1.042 174 H CA -0.012 55.967 56.048 -0.115 0.000 1.177 174 H CB 0.255 30.249 29.762 0.387 0.000 1.524 174 H HN 0.629 nan 8.280 nan 0.000 0.537 175 E N 1.652 121.846 120.200 -0.011 0.000 2.077 175 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 175 E C 2.375 178.941 176.600 -0.056 0.000 0.989 175 E CA 0.793 57.230 56.400 0.062 0.000 0.800 175 E CB 0.047 29.756 29.700 0.016 0.000 0.746 175 E HN 0.337 nan 8.360 nan 0.000 0.452 176 V N 1.274 121.044 119.914 -0.240 0.000 2.490 176 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 176 V C 2.072 178.140 176.094 -0.045 0.000 1.061 176 V CA 1.407 63.594 62.300 -0.188 0.000 1.064 176 V CB -0.713 30.978 31.823 -0.220 0.000 0.670 176 V HN 0.102 nan 8.190 nan 0.000 0.461 177 F N 1.750 121.748 119.950 0.081 0.000 2.120 177 F HA -0.110 4.417 4.527 -0.000 0.000 0.300 177 F C 2.480 178.308 175.800 0.046 0.000 1.095 177 F CA 1.160 59.198 58.000 0.063 0.000 1.249 177 F CB -1.806 37.243 39.000 0.082 0.000 0.995 177 F HN 0.217 nan 8.300 nan 0.000 0.480 178 G N -0.888 108.040 108.800 0.214 0.000 2.442 178 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 178 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 178 G C 1.710 176.673 174.900 0.106 0.000 1.141 178 G CA 1.615 46.807 45.100 0.152 0.000 0.763 178 G HN 0.371 nan 8.290 nan 0.000 0.554 179 T N 0.384 114.972 114.554 0.057 0.000 2.942 179 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 179 T C 2.420 177.116 174.700 -0.007 0.000 1.062 179 T CA 1.111 63.209 62.100 -0.004 0.000 1.139 179 T CB -0.088 68.736 68.868 -0.073 0.000 0.883 179 T HN 0.350 nan 8.240 nan 0.000 0.468 180 Q N 0.828 120.651 119.800 0.038 0.000 2.124 180 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 180 Q C 2.315 178.327 176.000 0.019 0.000 0.977 180 Q CA 1.219 57.045 55.803 0.039 0.000 0.850 180 Q CB -0.090 28.712 28.738 0.107 0.000 0.901 180 Q HN 0.458 nan 8.270 nan 0.000 0.429 181 K N 0.295 120.723 120.400 0.047 0.000 2.057 181 K HA -0.159 4.160 4.320 -0.000 0.000 0.207 181 K C 2.056 178.656 176.600 -0.000 0.000 1.049 181 K CA 0.886 57.191 56.287 0.030 0.000 0.931 181 K CB -0.188 32.351 32.500 0.064 0.000 0.714 181 K HN 0.080 nan 8.250 nan 0.000 0.440 182 L N 1.492 122.710 121.223 -0.008 0.000 2.012 182 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 182 L C 1.837 178.620 176.870 -0.146 0.000 1.073 182 L CA 1.630 56.426 54.840 -0.073 0.000 0.748 182 L CB -0.370 41.598 42.059 -0.152 0.000 0.891 182 L HN 0.129 nan 8.230 nan 0.000 0.431 183 L N -0.665 120.486 121.223 -0.120 0.000 2.141 183 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 183 L C 2.667 179.416 176.870 -0.203 0.000 1.094 183 L CA 0.991 55.733 54.840 -0.164 0.000 0.763 183 L CB -0.863 41.136 42.059 -0.099 0.000 0.908 183 L HN 0.412 nan 8.230 nan 0.000 0.437 184 A N -0.363 122.367 122.820 -0.150 0.000 1.902 184 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 184 A C 1.288 178.764 177.584 -0.181 0.000 1.181 184 A CA 0.947 52.879 52.037 -0.175 0.000 0.623 184 A CB -0.336 18.597 19.000 -0.111 0.000 0.818 184 A HN 0.394 nan 8.150 nan 0.000 0.443 188 T N 0.232 114.684 114.554 -0.170 0.000 2.708 188 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 188 T C 1.596 176.271 174.700 -0.043 0.000 1.037 188 T CA 2.179 64.222 62.100 -0.095 0.000 1.146 188 T CB -0.070 68.757 68.868 -0.068 0.000 0.865 188 T HN 0.508 nan 8.240 nan 0.000 0.435 189 E N 0.388 120.569 120.200 -0.032 0.000 2.107 189 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 189 E C 2.311 178.930 176.600 0.031 0.000 0.982 189 E CA 0.640 57.071 56.400 0.051 0.000 0.809 189 E CB 0.178 29.975 29.700 0.162 0.000 0.756 189 E HN 0.159 nan 8.360 nan 0.000 0.459 190 R N -0.285 120.194 120.500 -0.035 0.000 2.140 190 R HA 0.120 4.460 4.340 -0.000 0.000 0.213 190 R C 2.053 178.334 176.300 -0.033 0.000 1.059 190 R CA 0.444 56.526 56.100 -0.030 0.000 1.000 190 R CB -0.080 30.177 30.300 -0.071 0.000 0.910 190 R HN 0.241 nan 8.270 nan 0.000 0.455 191 L N -1.476 119.720 121.223 -0.045 0.000 2.781 191 L HA 0.285 4.625 4.340 -0.000 0.000 0.245 191 L C 1.100 177.962 176.870 -0.014 0.000 1.118 191 L CA 0.470 55.294 54.840 -0.028 0.000 0.918 191 L CB 0.493 42.532 42.059 -0.034 0.000 1.246 191 L HN 0.351 nan 8.230 nan 0.000 0.526 192 G N 1.710 110.499 108.800 -0.019 0.000 2.267 192 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 192 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 192 G C 0.512 175.404 174.900 -0.013 0.000 0.998 192 G CA 0.483 45.579 45.100 -0.007 0.000 0.620 192 G HN 0.400 nan 8.290 nan 0.000 0.529 193 I N -0.853 119.702 120.570 -0.024 0.000 2.474 193 I HA 0.670 4.840 4.170 -0.000 0.000 0.287 193 I C 0.201 176.273 176.117 -0.076 0.000 1.048 193 I CA -1.079 60.208 61.300 -0.021 0.000 1.383 193 I CB 0.876 38.890 38.000 0.025 0.000 1.412 193 I HN -0.134 nan 8.210 nan 0.000 0.531 194 E N 4.823 124.994 120.200 -0.048 0.000 2.374 194 E HA 0.378 4.728 4.350 -0.000 0.000 0.260 194 E C -0.657 175.860 176.600 -0.137 0.000 1.101 194 E CA -0.529 55.827 56.400 -0.073 0.000 0.907 194 E CB 1.991 31.678 29.700 -0.022 0.000 1.014 194 E HN 0.490 nan 8.360 nan 0.000 0.427 195 V N 3.745 123.556 119.914 -0.172 0.000 2.443 195 V HA 0.120 4.240 4.120 -0.000 0.000 0.293 195 V C -1.570 174.489 176.094 -0.060 0.000 1.021 195 V CA -1.210 60.953 62.300 -0.228 0.000 0.848 195 V CB 1.574 33.155 31.823 -0.403 0.000 0.998 195 V HN 0.527 nan 8.190 nan 0.000 0.424 196 P HA -0.005 nan 4.420 nan 0.000 0.215 196 P C 0.167 177.477 177.300 0.017 0.000 1.153 196 P CA 1.138 64.258 63.100 0.034 0.000 0.853 196 P CB 0.261 32.001 31.700 0.066 0.000 0.788 197 R N -2.234 118.281 120.500 0.026 0.000 2.668 197 R HA 0.265 4.605 4.340 -0.000 0.000 0.272 197 R C 1.007 177.313 176.300 0.010 0.000 1.019 197 R CA -0.803 55.302 56.100 0.008 0.000 0.894 197 R CB 1.330 31.636 30.300 0.009 0.000 1.228 197 R HN -0.151 nan 8.270 nan 0.000 0.460 198 R N 0.772 121.267 120.500 -0.007 0.000 2.159 198 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 198 R C 0.695 177.011 176.300 0.026 0.000 1.131 198 R CA 1.717 57.820 56.100 0.005 0.000 0.982 198 R CB -0.255 30.050 30.300 0.009 0.000 0.868 198 R HN 0.557 nan 8.270 nan 0.000 0.453 199 E N 1.148 121.353 120.200 0.007 0.000 2.130 199 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 199 E C 1.222 177.856 176.600 0.056 0.000 0.998 199 E CA 1.718 58.130 56.400 0.021 0.000 0.806 199 E CB -0.272 29.428 29.700 0.000 0.000 0.738 199 E HN 0.445 nan 8.360 nan 0.000 0.459 200 D N -0.205 120.246 120.400 0.085 0.000 2.378 200 D HA -0.064 4.576 4.640 -0.000 0.000 0.222 200 D C -0.022 176.391 176.300 0.189 0.000 0.980 200 D CA 0.453 54.540 54.000 0.144 0.000 0.907 200 D CB 0.060 41.017 40.800 0.261 0.000 0.899 200 D HN 0.140 nan 8.370 nan 0.000 0.527 201 I N 2.272 122.918 120.570 0.128 0.000 2.308 201 I HA 0.086 4.256 4.170 -0.000 0.000 0.293 201 I C 0.406 176.566 176.117 0.072 0.000 1.078 201 I CA -0.229 61.133 61.300 0.103 0.000 1.292 201 I CB 0.186 38.211 38.000 0.042 0.000 1.423 201 I HN -0.352 nan 8.210 nan 0.000 0.493 202 R N 6.213 126.750 120.500 0.061 0.000 2.204 202 R HA 0.463 4.803 4.340 -0.000 0.000 0.341 202 R C -0.451 175.864 176.300 0.025 0.000 1.035 202 R CA -0.504 55.619 56.100 0.039 0.000 0.887 202 R CB 1.583 31.897 30.300 0.023 0.000 1.114 202 R HN 0.467 nan 8.270 nan 0.000 0.473 203 V N 0.221 120.149 119.914 0.024 0.000 2.628 203 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 203 V C -0.079 176.020 176.094 0.008 0.000 1.045 203 V CA -1.270 61.035 62.300 0.008 0.000 0.905 203 V CB 2.294 34.115 31.823 -0.004 0.000 0.997 203 V HN 0.542 nan 8.190 nan 0.000 0.436 204 N N 2.746 121.447 118.700 0.001 0.000 2.500 204 N HA 0.443 5.183 4.740 -0.000 0.000 0.236 204 N C -0.899 174.608 175.510 -0.004 0.000 1.022 204 N CA -0.146 52.904 53.050 0.001 0.000 0.935 204 N CB 1.269 39.757 38.487 0.002 0.000 1.147 204 N HN 0.828 nan 8.380 nan 0.000 0.512 205 V N 5.646 125.555 119.914 -0.008 0.000 2.547 205 V HA 0.767 4.887 4.120 -0.000 0.000 0.299 205 V C -0.630 175.454 176.094 -0.017 0.000 1.040 205 V CA -0.559 61.730 62.300 -0.020 0.000 0.913 205 V CB 0.961 32.760 31.823 -0.041 0.000 0.992 205 V HN 0.605 nan 8.190 nan 0.000 0.449 206 L N 4.685 125.904 121.223 -0.007 0.000 2.671 206 L HA 1.119 5.459 4.340 -0.000 0.000 0.259 206 L C -0.309 176.569 176.870 0.013 0.000 1.021 206 L CA 0.020 54.854 54.840 -0.009 0.000 0.871 206 L CB 1.597 43.647 42.059 -0.015 0.000 1.472 206 L HN 1.155 nan 8.230 nan 0.000 0.410 207 G N 0.688 109.487 108.800 -0.002 0.000 2.247 207 G HA2 0.197 4.157 3.960 -0.000 0.000 0.229 207 G HA3 0.197 4.157 3.960 -0.000 0.000 0.229 207 G C -1.490 173.418 174.900 0.014 0.000 1.345 207 G CA -0.319 44.795 45.100 0.022 0.000 1.100 207 G HN 1.365 nan 8.290 nan 0.000 0.473 208 I N -1.816 118.778 120.570 0.041 0.000 2.957 208 I HA 0.759 4.929 4.170 -0.000 0.000 0.310 208 I C -0.075 176.014 176.117 -0.046 0.000 1.063 208 I CA -1.140 60.170 61.300 0.017 0.000 1.033 208 I CB 2.037 40.089 38.000 0.088 0.000 1.230 208 I HN 0.550 nan 8.210 nan 0.000 0.447 209 N N 1.960 120.608 118.700 -0.087 0.000 2.412 209 N HA -0.013 4.727 4.740 -0.000 0.000 0.258 209 N C 0.236 175.653 175.510 -0.154 0.000 1.236 209 N CA 1.044 53.972 53.050 -0.203 0.000 0.882 209 N CB -0.351 37.946 38.487 -0.317 0.000 1.066 209 N HN 0.898 nan 8.380 nan 0.000 0.465 210 H N 0.476 119.458 119.070 -0.147 0.000 3.631 210 H HA -0.256 4.299 4.556 -0.000 0.000 0.202 210 H C -0.685 174.444 175.328 -0.333 0.000 1.029 210 H CA 0.983 56.931 56.048 -0.166 0.000 1.208 210 H CB -1.241 28.537 29.762 0.027 0.000 1.124 210 H HN 0.450 nan 8.280 nan 0.000 0.329 211 F N 2.394 122.004 119.950 -0.567 0.000 2.576 211 F HA 0.257 4.784 4.527 -0.000 0.000 0.365 211 F C 0.188 175.825 175.800 -0.271 0.000 1.506 211 F CA 0.063 57.631 58.000 -0.721 0.000 1.113 211 F CB 0.354 38.546 39.000 -1.345 0.000 1.293 211 F HN 0.004 nan 8.300 nan 0.000 0.540 212 T N -2.049 112.256 114.554 -0.415 0.000 2.922 212 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 212 T C -0.843 173.482 174.700 -0.626 0.000 1.005 212 T CA -0.324 61.595 62.100 -0.301 0.000 1.061 212 T CB 1.458 70.192 68.868 -0.224 0.000 1.007 212 T HN 0.267 nan 8.240 nan 0.000 0.502 213 W N 0.329 121.449 121.300 -0.299 0.000 2.950 213 W HA 0.676 5.336 4.660 -0.000 0.000 0.340 213 W C -0.929 175.485 176.519 -0.175 0.000 1.139 213 W CA -1.214 55.975 57.345 -0.260 0.000 1.188 213 W CB 1.476 30.752 29.460 -0.306 0.000 1.426 213 W HN 0.579 nan 8.180 nan 0.000 0.531 214 I N 2.307 122.908 120.570 0.051 0.000 2.382 214 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 214 I C 1.003 177.148 176.117 0.047 0.000 1.002 214 I CA -0.360 60.941 61.300 0.002 0.000 1.135 214 I CB 1.792 39.742 38.000 -0.082 0.000 1.288 214 I HN 0.631 nan 8.210 nan 0.000 0.448 215 T N 1.455 116.034 114.554 0.042 0.000 3.037 215 T HA 0.292 4.642 4.350 -0.000 0.000 0.251 215 T C 0.581 175.305 174.700 0.040 0.000 1.079 215 T CA 0.177 62.306 62.100 0.048 0.000 1.067 215 T CB 0.188 69.070 68.868 0.023 0.000 0.948 215 T HN 0.412 nan 8.240 nan 0.000 0.496 216 K N 0.385 120.798 120.400 0.022 0.000 2.498 216 K HA 0.775 5.094 4.320 -0.000 0.000 0.254 216 K C -1.676 174.927 176.600 0.006 0.000 0.933 216 K CA -0.815 55.484 56.287 0.020 0.000 0.806 216 K CB 2.655 35.164 32.500 0.015 0.000 1.301 216 K HN 0.218 nan 8.250 nan 0.000 0.432 217 A N 0.978 123.802 122.820 0.007 0.000 2.574 217 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 217 A C -1.345 176.245 177.584 0.010 0.000 1.062 217 A CA -0.692 51.345 52.037 -0.000 0.000 0.686 217 A CB 1.623 20.607 19.000 -0.026 0.000 1.285 217 A HN 0.687 nan 8.150 nan 0.000 0.403 218 S N 0.086 115.796 115.700 0.018 0.000 2.570 218 S HA 0.716 5.186 4.470 -0.000 0.000 0.270 218 S C -1.488 173.154 174.600 0.070 0.000 1.149 218 S CA -0.585 57.629 58.200 0.022 0.000 0.837 218 S CB 1.449 64.646 63.200 -0.005 0.000 1.124 218 S HN 1.683 nan 8.310 nan 0.000 0.465 219 Y N 3.047 123.299 120.300 -0.081 0.000 2.338 219 Y HA 0.531 5.081 4.550 -0.000 0.000 0.328 219 Y C 0.912 176.746 175.900 -0.110 0.000 0.965 219 Y CA -0.512 57.538 58.100 -0.084 0.000 1.208 219 Y CB 0.463 38.865 38.460 -0.096 0.000 1.132 219 Y HN 1.022 nan 8.280 nan 0.000 0.469 220 R N 1.986 122.137 120.500 -0.581 0.000 3.793 220 R HA -0.346 3.994 4.340 -0.000 0.000 0.464 220 R C 1.290 177.483 176.300 -0.177 0.000 0.241 220 R CA 2.031 57.905 56.100 -0.377 0.000 1.464 220 R CB -1.563 28.480 30.300 -0.429 0.000 0.954 220 R HN 0.977 nan 8.270 nan 0.000 0.583 221 H N 2.009 120.999 119.070 -0.133 0.000 2.547 221 H HA 0.343 4.899 4.556 -0.000 0.000 0.266 221 H C 0.829 176.145 175.328 -0.021 0.000 0.988 221 H CA 0.316 56.328 56.048 -0.060 0.000 1.147 221 H CB -0.135 29.599 29.762 -0.047 0.000 1.365 221 H HN 0.303 nan 8.280 nan 0.000 0.589 222 I N 2.630 122.981 120.570 -0.364 0.000 2.315 222 I HA 0.015 4.185 4.170 -0.000 0.000 0.291 222 I C 0.059 176.138 176.117 -0.062 0.000 1.006 222 I CA -0.693 60.479 61.300 -0.213 0.000 1.265 222 I CB 1.380 39.247 38.000 -0.222 0.000 1.387 222 I HN -0.043 nan 8.210 nan 0.000 0.475 223 D N 6.564 126.954 120.400 -0.018 0.000 2.343 223 D HA 0.128 4.768 4.640 -0.000 0.000 0.255 223 D C 0.675 176.985 176.300 0.018 0.000 1.187 223 D CA 0.174 54.181 54.000 0.011 0.000 0.875 223 D CB 1.161 41.978 40.800 0.028 0.000 1.136 223 D HN 0.441 nan 8.370 nan 0.000 0.469 224 L N 3.920 125.155 121.223 0.021 0.000 2.509 224 L HA -0.034 4.306 4.340 -0.000 0.000 0.222 224 L C 2.086 178.993 176.870 0.061 0.000 1.123 224 L CA -0.282 54.571 54.840 0.022 0.000 0.856 224 L CB -0.013 42.046 42.059 0.001 0.000 0.985 224 L HN 0.440 nan 8.230 nan 0.000 0.456 225 L N 0.922 122.191 121.223 0.077 0.000 1.994 225 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 225 L C 0.048 177.029 176.870 0.186 0.000 1.071 225 L CA 2.359 57.283 54.840 0.141 0.000 0.745 225 L CB -2.051 40.100 42.059 0.152 0.000 0.892 225 L HN 0.168 nan 8.230 nan 0.000 0.431 226 P HA -0.111 nan 4.420 nan 0.000 0.218 226 P C 2.075 179.438 177.300 0.106 0.000 1.149 226 P CA 1.239 64.418 63.100 0.132 0.000 0.817 226 P CB 0.127 31.881 31.700 0.089 0.000 0.785 227 I N -2.170 118.446 120.570 0.077 0.000 2.202 227 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 227 I C 2.224 178.371 176.117 0.050 0.000 1.091 227 I CA 1.274 62.598 61.300 0.039 0.000 1.368 227 I CB -0.624 37.371 38.000 -0.008 0.000 1.058 227 I HN -0.133 nan 8.210 nan 0.000 0.410 228 F N 1.935 121.828 119.950 -0.095 0.000 2.161 228 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 228 F C 2.724 178.397 175.800 -0.212 0.000 1.089 228 F CA 1.627 59.542 58.000 -0.141 0.000 1.282 228 F CB -0.251 38.591 39.000 -0.264 0.000 1.010 228 F HN -0.138 nan 8.300 nan 0.000 0.485 229 R N 0.431 120.932 120.500 0.002 0.000 2.083 229 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 229 R C 2.117 178.425 176.300 0.014 0.000 1.137 229 R CA 2.272 58.426 56.100 0.090 0.000 0.951 229 R CB -0.289 30.203 30.300 0.319 0.000 0.851 229 R HN 0.413 nan 8.270 nan 0.000 0.434 230 E N -0.591 119.615 120.200 0.011 0.000 2.047 230 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 230 E C 1.770 178.331 176.600 -0.066 0.000 0.987 230 E CA 1.220 57.613 56.400 -0.012 0.000 0.799 230 E CB -0.282 29.420 29.700 0.004 0.000 0.752 230 E HN 0.259 nan 8.360 nan 0.000 0.449 231 F N 1.620 121.407 119.950 -0.272 0.000 2.120 231 F HA -0.272 4.255 4.527 -0.000 0.000 0.300 231 F C 2.588 178.056 175.800 -0.553 0.000 1.095 231 F CA 1.665 59.467 58.000 -0.330 0.000 1.249 231 F CB -0.445 38.305 39.000 -0.417 0.000 0.995 231 F HN -0.085 nan 8.300 nan 0.000 0.480 232 S N -0.314 114.965 115.700 -0.701 0.000 2.368 232 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 232 S C 2.306 176.576 174.600 -0.551 0.000 1.029 232 S CA 1.112 58.763 58.200 -0.915 0.000 0.988 232 S CB -0.767 62.143 63.200 -0.483 0.000 0.838 232 S HN 0.483 nan 8.310 nan 0.000 0.462 233 A N 1.028 123.687 122.820 -0.268 0.000 1.902 233 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 233 A C 2.159 179.598 177.584 -0.242 0.000 1.181 233 A CA 1.738 53.679 52.037 -0.160 0.000 0.623 233 A CB -1.154 17.809 19.000 -0.061 0.000 0.818 233 A HN 0.809 nan 8.150 nan 0.000 0.443 234 H N -2.318 116.494 119.070 -0.430 0.000 2.395 234 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 234 H C 0.737 175.642 175.328 -0.705 0.000 1.070 234 H CA 1.641 57.353 56.048 -0.560 0.000 1.356 234 H CB 0.110 29.470 29.762 -0.671 0.000 1.401 234 H HN 0.552 nan 8.280 nan 0.000 0.524 235 Y N -0.350 119.622 120.300 -0.546 0.000 2.507 235 Y HA 0.246 4.796 4.550 -0.000 0.000 0.254 235 Y C 2.355 177.972 175.900 -0.472 0.000 1.171 235 Y CA 0.206 57.990 58.100 -0.526 0.000 1.238 235 Y CB 0.251 38.382 38.460 -0.548 0.000 1.148 235 Y HN 0.212 nan 8.280 nan 0.000 0.525 236 G N 0.471 109.046 108.800 -0.375 0.000 2.476 236 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 236 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 236 G C 1.639 176.552 174.900 0.022 0.000 1.164 236 G CA 1.246 46.280 45.100 -0.109 0.000 0.768 236 G HN 0.265 nan 8.290 nan 0.000 0.560 237 E N 0.782 120.941 120.200 -0.068 0.000 2.051 237 E HA -0.083 4.267 4.350 -0.000 0.000 0.189 237 E C 3.054 179.612 176.600 -0.069 0.000 0.979 237 E CA 1.330 57.680 56.400 -0.083 0.000 0.803 237 E CB -0.558 29.077 29.700 -0.109 0.000 0.761 237 E HN 0.566 nan 8.360 nan 0.000 0.451 238 S N 0.074 115.751 115.700 -0.038 0.000 2.428 238 S HA 0.105 4.575 4.470 -0.000 0.000 0.230 238 S C 1.208 175.843 174.600 0.059 0.000 1.014 238 S CA 0.752 58.958 58.200 0.009 0.000 0.957 238 S CB -0.211 63.020 63.200 0.052 0.000 0.784 238 S HN 0.403 nan 8.310 nan 0.000 0.499 239 G N 0.164 109.054 108.800 0.149 0.000 2.756 239 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.678 239 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.678 239 G C -0.977 174.095 174.900 0.286 0.000 1.349 239 G CA -0.280 44.970 45.100 0.250 0.000 0.847 239 G HN 0.966 nan 8.290 nan 0.000 0.548 240 Y N 0.661 121.076 120.300 0.192 0.000 2.386 240 Y HA 0.643 5.193 4.550 -0.000 0.000 0.334 240 Y C -0.189 175.817 175.900 0.178 0.000 1.002 240 Y CA -0.743 57.332 58.100 -0.041 0.000 1.068 240 Y CB 1.622 39.919 38.460 -0.271 0.000 1.203 240 Y HN 0.689 nan 8.280 nan 0.000 0.443 241 E N 5.910 125.858 120.200 -0.422 0.000 2.179 241 E HA 0.390 4.740 4.350 -0.000 0.000 0.275 241 E C -0.968 175.467 176.600 -0.276 0.000 0.945 241 E CA -0.937 55.380 56.400 -0.138 0.000 0.792 241 E CB 1.979 31.654 29.700 -0.043 0.000 1.125 241 E HN 0.637 nan 8.360 nan 0.000 0.397 242 L N 2.280 123.552 121.223 0.081 0.000 2.485 242 L HA 0.003 4.343 4.340 -0.000 0.000 0.275 242 L C 1.102 177.982 176.870 0.017 0.000 1.207 242 L CA 0.232 55.146 54.840 0.123 0.000 0.855 242 L CB 0.081 42.256 42.059 0.192 0.000 1.114 242 L HN 0.530 nan 8.230 nan 0.000 0.485 243 E N 2.126 122.349 120.200 0.038 0.000 2.568 243 E HA -0.094 4.256 4.350 -0.000 0.000 0.262 243 E C 0.991 177.601 176.600 0.016 0.000 0.961 243 E CA 0.997 57.407 56.400 0.016 0.000 0.945 243 E CB 0.453 30.179 29.700 0.044 0.000 0.924 243 E HN 0.825 nan 8.360 nan 0.000 0.467 244 G N 3.796 112.598 108.800 0.004 0.000 2.203 244 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 244 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 244 G C 0.081 174.987 174.900 0.011 0.000 1.012 244 G CA 0.836 45.940 45.100 0.007 0.000 0.749 244 G HN 0.556 nan 8.290 nan 0.000 0.512 245 E N -1.420 118.787 120.200 0.011 0.000 2.369 245 E HA 0.585 4.934 4.350 -0.000 0.000 0.270 245 E C -0.771 175.844 176.600 0.026 0.000 0.909 245 E CA -0.596 55.820 56.400 0.027 0.000 0.775 245 E CB 2.537 32.271 29.700 0.058 0.000 1.270 245 E HN 0.376 nan 8.360 nan 0.000 0.445 246 C N 3.684 123.002 119.300 0.031 0.000 2.482 246 C HA 0.365 4.825 4.460 -0.000 0.000 0.317 246 C C 1.226 176.250 174.990 0.056 0.000 1.197 246 C CA -0.673 58.362 59.018 0.028 0.000 1.432 246 C CB -0.063 27.648 27.740 -0.050 0.000 2.062 246 C HN 1.101 nan 8.230 nan 0.000 0.471 247 W N 4.489 125.807 121.300 0.030 0.000 2.387 247 W HA -0.052 4.608 4.660 -0.000 0.000 0.272 247 W C 1.218 177.847 176.519 0.184 0.000 1.224 247 W CA 0.705 58.092 57.345 0.070 0.000 1.210 247 W CB -0.656 28.819 29.460 0.025 0.000 1.125 247 W HN 0.772 nan 8.180 nan 0.000 0.572 248 R N 0.966 121.063 120.500 -0.672 0.000 2.323 248 R HA -0.064 4.276 4.340 -0.000 0.000 0.198 248 R C 1.338 177.491 176.300 -0.244 0.000 0.988 248 R CA 0.899 56.659 56.100 -0.568 0.000 1.041 248 R CB -0.224 29.638 30.300 -0.730 0.000 0.926 248 R HN 0.079 nan 8.270 nan 0.000 0.476 249 D N 0.543 120.862 120.400 -0.135 0.000 2.144 249 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 249 D C 1.003 177.232 176.300 -0.118 0.000 0.984 249 D CA 1.312 55.257 54.000 -0.093 0.000 0.834 249 D CB 0.164 40.948 40.800 -0.027 0.000 0.955 249 D HN 0.228 nan 8.370 nan 0.000 0.465 250 S N -1.713 113.880 115.700 -0.178 0.000 2.611 250 S HA 0.237 4.707 4.470 -0.000 0.000 0.268 250 S C 0.703 174.922 174.600 -0.636 0.000 1.156 250 S CA -0.251 57.770 58.200 -0.298 0.000 0.817 250 S CB 1.299 64.476 63.200 -0.038 0.000 1.122 250 S HN -0.073 nan 8.310 nan 0.000 0.466 251 V N -0.831 118.556 119.914 -0.877 0.000 2.913 251 V HA 0.166 4.286 4.120 -0.000 0.000 0.260 251 V C 1.455 177.191 176.094 -0.597 0.000 1.098 251 V CA 1.263 62.977 62.300 -0.976 0.000 1.121 251 V CB -1.487 29.675 31.823 -1.102 0.000 0.714 251 V HN 0.722 nan 8.190 nan 0.000 0.487 252 F N 0.316 120.172 119.950 -0.156 0.000 2.780 252 F HA 0.319 4.846 4.527 -0.000 0.000 0.299 252 F C 1.514 177.348 175.800 0.057 0.000 1.146 252 F CA -0.637 57.350 58.000 -0.022 0.000 1.428 252 F CB -0.860 38.136 39.000 -0.007 0.000 1.115 252 F HN 0.197 nan 8.300 nan 0.000 0.583 253 C N 0.123 119.553 119.300 0.216 0.000 2.382 253 C HA 0.733 5.193 4.460 -0.000 0.000 0.363 253 C C 0.691 175.883 174.990 0.338 0.000 1.213 253 C CA -0.666 58.501 59.018 0.248 0.000 2.363 253 C CB 0.929 28.802 27.740 0.221 0.000 2.397 253 C HN 0.455 nan 8.230 nan 0.000 0.573 254 S N 0.266 116.073 115.700 0.178 0.000 2.643 254 S HA 0.722 5.192 4.470 -0.000 0.000 0.270 254 S C -0.496 174.026 174.600 -0.131 0.000 1.166 254 S CA 0.123 58.365 58.200 0.070 0.000 0.815 254 S CB 1.184 64.338 63.200 -0.078 0.000 1.139 254 S HN 1.220 nan 8.310 nan 0.000 0.472 255 A N -0.209 122.478 122.820 -0.222 0.000 2.500 255 A HA 0.495 4.815 4.320 -0.000 0.000 0.267 255 A C 0.362 177.901 177.584 -0.075 0.000 1.290 255 A CA 0.353 52.314 52.037 -0.127 0.000 0.928 255 A CB -1.320 17.602 19.000 -0.130 0.000 1.066 255 A HN 1.414 nan 8.150 nan 0.000 0.516 256 H N -1.366 117.659 119.070 -0.074 0.000 3.047 256 H HA -0.202 4.354 4.556 -0.000 0.000 0.263 256 H C 1.540 176.677 175.328 -0.320 0.000 1.168 256 H CA 1.116 56.991 56.048 -0.289 0.000 1.152 256 H CB -1.346 28.109 29.762 -0.511 0.000 1.278 256 H HN 0.587 nan 8.280 nan 0.000 0.339 257 R N 0.031 120.561 120.500 0.050 0.000 2.096 257 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 257 R C 1.865 178.372 176.300 0.345 0.000 1.127 257 R CA 1.613 57.900 56.100 0.312 0.000 0.968 257 R CB -0.002 30.496 30.300 0.329 0.000 0.861 257 R HN 0.262 nan 8.270 nan 0.000 0.440 258 V N 0.991 120.932 119.914 0.045 0.000 2.307 258 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 258 V C 2.514 178.507 176.094 -0.168 0.000 1.045 258 V CA 1.925 64.032 62.300 -0.321 0.000 1.024 258 V CB -0.744 30.613 31.823 -0.777 0.000 0.651 258 V HN 0.363 nan 8.190 nan 0.000 0.449 259 A N -0.131 122.596 122.820 -0.155 0.000 1.908 259 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 259 A C 2.022 179.722 177.584 0.195 0.000 1.181 259 A CA 1.894 53.888 52.037 -0.072 0.000 0.627 259 A CB -0.710 18.206 19.000 -0.141 0.000 0.818 259 A HN 0.451 nan 8.150 nan 0.000 0.445 260 F N 0.184 120.305 119.950 0.286 0.000 2.134 260 F HA -0.114 4.413 4.527 0.000 0.000 0.299 260 F C 2.079 178.091 175.800 0.353 0.000 1.097 260 F CA 1.278 59.464 58.000 0.311 0.000 1.264 260 F CB -1.038 38.067 39.000 0.176 0.000 1.001 260 F HN 0.357 nan 8.300 nan 0.000 0.479 261 D N 0.155 120.846 120.400 0.485 0.000 2.117 261 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 261 D C 2.231 178.737 176.300 0.344 0.000 0.987 261 D CA 1.073 55.321 54.000 0.414 0.000 0.829 261 D CB -0.124 40.923 40.800 0.412 0.000 0.961 261 D HN 0.205 nan 8.370 nan 0.000 0.460 262 L N -0.527 120.901 121.223 0.341 0.000 2.093 262 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 262 L C 2.255 179.461 176.870 0.559 0.000 1.085 262 L CA 0.682 55.807 54.840 0.476 0.000 0.755 262 L CB -0.604 41.725 42.059 0.450 0.000 0.904 262 L HN 0.126 nan 8.230 nan 0.000 0.435 263 F N 1.459 121.661 119.950 0.420 0.000 2.102 263 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 263 F C 2.592 178.582 175.800 0.317 0.000 1.105 263 F CA 1.612 59.873 58.000 0.435 0.000 1.239 263 F CB -0.078 39.286 39.000 0.607 0.000 0.991 263 F HN 0.007 nan 8.300 nan 0.000 0.474 264 E N -0.033 120.367 120.200 0.334 0.000 2.118 264 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 264 E C 2.234 178.789 176.600 -0.075 0.000 0.992 264 E CA 1.913 58.382 56.400 0.114 0.000 0.804 264 E CB -1.038 28.783 29.700 0.200 0.000 0.741 264 E HN 0.444 nan 8.360 nan 0.000 0.458 265 T N 0.071 114.565 114.554 -0.099 0.000 2.812 265 T HA -0.090 4.259 4.350 -0.000 0.000 0.264 265 T C 1.446 175.860 174.700 -0.476 0.000 1.042 265 T CA 1.193 63.078 62.100 -0.359 0.000 1.140 265 T CB -0.215 68.269 68.868 -0.639 0.000 0.870 265 T HN 0.184 nan 8.240 nan 0.000 0.445 266 Y N 0.006 120.276 120.300 -0.049 0.000 2.535 266 Y HA 0.436 4.986 4.550 -0.000 0.000 0.266 266 Y C 2.078 177.856 175.900 -0.204 0.000 1.088 266 Y CA -0.200 57.823 58.100 -0.128 0.000 1.285 266 Y CB 0.011 38.362 38.460 -0.182 0.000 1.166 266 Y HN 0.307 nan 8.280 nan 0.000 0.525 267 G N 0.195 108.849 108.800 -0.243 0.000 2.157 267 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.248 267 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.248 267 G C 0.172 174.991 174.900 -0.135 0.000 0.979 267 G CA 0.092 44.910 45.100 -0.469 0.000 0.650 267 G HN 0.662 nan 8.290 nan 0.000 0.529 268 A N -0.469 122.425 122.820 0.124 0.000 2.384 268 A HA 0.847 5.167 4.320 -0.000 0.000 0.312 268 A C 0.067 177.970 177.584 0.531 0.000 1.113 268 A CA -0.783 51.446 52.037 0.321 0.000 0.779 268 A CB 1.066 20.222 19.000 0.261 0.000 1.307 268 A HN 0.686 nan 8.150 nan 0.000 0.436 269 I N 2.355 123.079 120.570 0.255 0.000 2.379 269 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 269 I C -2.162 173.820 176.117 -0.225 0.000 1.063 269 I CA -1.734 59.510 61.300 -0.092 0.000 1.351 269 I CB 1.163 38.808 38.000 -0.591 0.000 1.410 269 I HN 0.345 nan 8.210 nan 0.000 0.505 270 P HA 0.059 nan 4.420 nan 0.000 0.268 270 P C -0.447 176.479 177.300 -0.623 0.000 1.204 270 P CA -0.185 62.287 63.100 -1.046 0.000 0.768 270 P CB 0.844 31.993 31.700 -0.918 0.000 0.842 271 A N 2.106 124.543 122.820 -0.639 0.000 3.113 271 A HA 0.673 4.993 4.320 -0.000 0.000 0.307 271 A C -0.025 177.393 177.584 -0.277 0.000 1.025 271 A CA -0.231 51.593 52.037 -0.356 0.000 1.012 271 A CB -0.357 18.476 19.000 -0.278 0.000 1.085 271 A HN 0.561 nan 8.150 nan 0.000 0.519 272 A N -0.694 121.976 122.820 -0.251 0.000 2.609 272 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 272 A C 0.346 177.909 177.584 -0.035 0.000 1.096 272 A CA -0.101 51.876 52.037 -0.100 0.000 0.684 272 A CB 0.262 19.207 19.000 -0.091 0.000 1.282 272 A HN 1.370 nan 8.150 nan 0.000 0.412 273 G N 0.023 108.882 108.800 0.097 0.000 2.484 273 G HA2 0.322 4.282 3.960 -0.000 0.000 0.235 273 G HA3 0.322 4.282 3.960 -0.000 0.000 0.235 273 G C 0.072 174.925 174.900 -0.078 0.000 1.282 273 G CA 0.445 45.579 45.100 0.057 0.000 0.857 273 G HN 0.642 nan 8.290 nan 0.000 0.571 274 D N 0.656 120.939 120.400 -0.195 0.000 2.149 274 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 274 D C 2.616 178.581 176.300 -0.559 0.000 1.001 274 D CA 1.562 55.294 54.000 -0.446 0.000 0.849 274 D CB -0.078 40.402 40.800 -0.534 0.000 0.939 274 D HN 0.730 nan 8.370 nan 0.000 0.449 275 R N 0.050 120.361 120.500 -0.315 0.000 2.159 275 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 275 R C 1.546 177.709 176.300 -0.228 0.000 1.131 275 R CA 1.491 57.492 56.100 -0.164 0.000 0.982 275 R CB -0.785 29.482 30.300 -0.056 0.000 0.868 275 R HN 0.379 nan 8.270 nan 0.000 0.453 276 H N 0.560 119.595 119.070 -0.059 0.000 2.399 276 H HA 0.150 4.706 4.556 -0.000 0.000 0.300 276 H C 2.171 177.582 175.328 0.138 0.000 1.048 276 H CA 1.208 57.262 56.048 0.010 0.000 1.370 276 H CB 0.064 29.768 29.762 -0.096 0.000 1.428 276 H HN -0.008 nan 8.280 nan 0.000 0.534 277 L N 0.387 121.677 121.223 0.113 0.000 2.042 277 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 277 L C 2.670 179.618 176.870 0.130 0.000 1.076 277 L CA 0.984 55.892 54.840 0.114 0.000 0.749 277 L CB -0.494 41.483 42.059 -0.137 0.000 0.893 277 L HN 0.351 nan 8.230 nan 0.000 0.432 278 A N -0.331 122.425 122.820 -0.107 0.000 2.076 278 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 278 A C 2.055 179.710 177.584 0.119 0.000 1.160 278 A CA 1.505 53.501 52.037 -0.069 0.000 0.653 278 A CB -0.410 18.446 19.000 -0.240 0.000 0.801 278 A HN 0.507 nan 8.150 nan 0.000 0.455 279 E N -1.850 118.417 120.200 0.112 0.000 2.481 279 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 279 E C 0.711 177.234 176.600 -0.127 0.000 1.047 279 E CA 0.269 56.667 56.400 -0.002 0.000 0.867 279 E CB -0.075 29.575 29.700 -0.083 0.000 0.858 279 E HN 0.777 nan 8.360 nan 0.000 0.513 280 F N 0.345 120.250 119.950 -0.076 0.000 2.656 280 F HA 0.090 4.617 4.527 -0.000 0.000 0.291 280 F C 0.373 176.155 175.800 -0.031 0.000 1.122 280 F CA -0.250 57.595 58.000 -0.259 0.000 1.427 280 F CB 0.578 39.098 39.000 -0.800 0.000 1.125 280 F HN -0.049 nan 8.300 nan 0.000 0.583 281 L N -3.128 118.230 121.223 0.224 0.000 2.359 281 L HA 0.684 5.023 4.340 -0.000 0.000 0.256 281 L C -3.046 173.930 176.870 0.176 0.000 1.026 281 L CA -3.388 51.585 54.840 0.222 0.000 0.828 281 L CB -0.704 41.553 42.059 0.330 0.000 1.406 281 L HN -0.366 nan 8.230 nan 0.000 0.413 282 P HA 0.599 nan 4.420 nan 0.000 0.268 282 P C -0.136 177.162 177.300 -0.004 0.000 1.205 282 P CA 0.209 63.338 63.100 0.048 0.000 0.771 282 P CB 0.852 32.569 31.700 0.030 0.000 0.858 283 G N 2.486 111.200 108.800 -0.145 0.000 2.338 283 G HA2 0.329 4.289 3.960 -0.000 0.000 0.295 283 G HA3 0.329 4.289 3.960 -0.000 0.000 0.295 283 G C -2.761 171.831 174.900 -0.513 0.000 1.461 283 G CA -0.763 44.030 45.100 -0.511 0.000 0.817 283 G HN 0.276 nan 8.290 nan 0.000 0.556 284 P HA 0.120 nan 4.420 nan 0.000 0.253 284 P C 0.572 177.748 177.300 -0.206 0.000 1.260 284 P CA 0.217 63.159 63.100 -0.262 0.000 0.800 284 P CB 0.006 31.690 31.700 -0.026 0.000 1.162 285 Y N 0.563 120.740 120.300 -0.206 0.000 2.114 285 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 285 Y C 2.518 178.569 175.900 0.252 0.000 1.143 285 Y CA 0.934 58.946 58.100 -0.146 0.000 1.135 285 Y CB -1.627 36.675 38.460 -0.263 0.000 0.980 285 Y HN -0.173 nan 8.280 nan 0.000 0.499 286 L N -0.222 121.209 121.223 0.346 0.000 2.201 286 L HA -0.170 4.169 4.340 -0.000 0.000 0.212 286 L C 1.856 178.781 176.870 0.091 0.000 1.105 286 L CA 1.469 56.480 54.840 0.286 0.000 0.775 286 L CB -0.356 41.851 42.059 0.247 0.000 0.913 286 L HN 0.203 nan 8.230 nan 0.000 0.440 287 K N -0.637 119.792 120.400 0.049 0.000 2.353 287 K HA 0.111 4.431 4.320 -0.000 0.000 0.195 287 K C 0.287 176.869 176.600 -0.029 0.000 1.031 287 K CA 0.165 56.407 56.287 -0.075 0.000 1.079 287 K CB 0.528 32.991 32.500 -0.063 0.000 0.857 287 K HN 0.291 nan 8.250 nan 0.000 0.535 288 Q N 0.518 120.378 119.800 0.100 0.000 2.719 288 Q HA 0.129 4.469 4.340 -0.000 0.000 0.376 288 Q C -2.236 173.883 176.000 0.198 0.000 0.856 288 Q CA -1.431 54.459 55.803 0.145 0.000 1.038 288 Q CB 1.201 30.078 28.738 0.230 0.000 1.418 288 Q HN 0.014 nan 8.270 nan 0.000 0.395 289 P HA -0.217 nan 4.420 nan 0.000 0.218 289 P C 1.055 178.213 177.300 -0.237 0.000 1.149 289 P CA 1.340 64.239 63.100 -0.335 0.000 0.817 289 P CB 0.338 31.658 31.700 -0.633 0.000 0.785 290 E N 0.258 120.392 120.200 -0.110 0.000 2.107 290 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 290 E C 2.071 178.573 176.600 -0.163 0.000 0.982 290 E CA 0.891 57.259 56.400 -0.053 0.000 0.809 290 E CB -1.669 28.095 29.700 0.107 0.000 0.756 290 E HN 0.083 nan 8.360 nan 0.000 0.459 291 V N 0.096 119.922 119.914 -0.147 0.000 2.490 291 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 291 V C 1.512 177.301 176.094 -0.509 0.000 1.061 291 V CA 1.845 63.950 62.300 -0.324 0.000 1.064 291 V CB -0.715 30.887 31.823 -0.369 0.000 0.670 291 V HN 0.294 nan 8.190 nan 0.000 0.461 292 W N -0.530 120.732 121.300 -0.063 0.000 3.278 292 W HA 0.288 4.948 4.660 -0.000 0.000 0.308 292 W C 0.996 177.429 176.519 -0.143 0.000 1.253 292 W CA -0.457 56.916 57.345 0.047 0.000 1.759 292 W CB -0.024 29.663 29.460 0.378 0.000 1.093 292 W HN 0.055 nan 8.180 nan 0.000 0.648 293 K N 0.286 120.385 120.400 -0.502 0.000 3.148 293 K HA -0.241 4.079 4.320 -0.000 0.000 0.267 293 K C -0.686 175.385 176.600 -0.882 0.000 0.996 293 K CA 0.819 56.193 56.287 -1.521 0.000 0.737 293 K CB -2.742 28.887 32.500 -1.451 0.000 1.308 293 K HN 0.355 nan 8.250 nan 0.000 0.470 294 F N -2.358 117.248 119.950 -0.573 0.000 2.754 294 F HA 0.648 5.175 4.527 -0.000 0.000 0.320 294 F C -0.317 175.411 175.800 -0.121 0.000 1.156 294 F CA -1.282 56.623 58.000 -0.158 0.000 0.950 294 F CB 1.131 40.082 39.000 -0.081 0.000 1.388 294 F HN -0.016 nan 8.300 nan 0.000 0.485 295 H N 1.010 120.049 119.070 -0.051 0.000 2.731 295 H HA 0.605 5.161 4.556 -0.000 0.000 0.368 295 H C -0.846 174.373 175.328 -0.182 0.000 1.168 295 H CA -0.869 55.068 56.048 -0.184 0.000 1.181 295 H CB 2.399 32.099 29.762 -0.104 0.000 1.743 295 H HN 0.461 nan 8.280 nan 0.000 0.547 296 L N 1.058 122.253 121.223 -0.046 0.000 2.399 296 L HA 0.285 4.625 4.340 -0.000 0.000 0.266 296 L C 0.307 177.156 176.870 -0.035 0.000 1.114 296 L CA -0.480 54.367 54.840 0.012 0.000 0.804 296 L CB 0.862 42.953 42.059 0.055 0.000 1.146 296 L HN 0.514 nan 8.230 nan 0.000 0.451 297 T N 2.762 117.283 114.554 -0.055 0.000 2.853 297 T HA 0.322 4.672 4.350 -0.000 0.000 0.317 297 T C -2.261 172.467 174.700 0.047 0.000 1.059 297 T CA -1.101 60.927 62.100 -0.121 0.000 0.954 297 T CB 0.906 69.668 68.868 -0.177 0.000 0.994 297 T HN 0.406 nan 8.240 nan 0.000 0.479 298 P HA 0.281 nan 4.420 nan 0.000 0.274 298 P C 0.664 178.173 177.300 0.349 0.000 1.231 298 P CA -0.618 62.682 63.100 0.333 0.000 0.790 298 P CB 0.948 32.787 31.700 0.231 0.000 0.951 299 I N 1.202 122.085 120.570 0.521 0.000 2.756 299 I HA -0.159 4.011 4.170 -0.000 0.000 0.262 299 I C 2.274 178.514 176.117 0.205 0.000 1.225 299 I CA 1.423 62.905 61.300 0.304 0.000 1.472 299 I CB -1.967 36.205 38.000 0.287 0.000 1.094 299 I HN 0.409 nan 8.210 nan 0.000 0.454 300 S N 0.750 116.554 115.700 0.174 0.000 2.402 300 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 300 S C 2.059 176.725 174.600 0.110 0.000 1.021 300 S CA 0.577 58.837 58.200 0.099 0.000 0.974 300 S CB -1.091 62.143 63.200 0.058 0.000 0.800 300 S HN 0.438 nan 8.310 nan 0.000 0.484 301 F N 2.844 122.812 119.950 0.030 0.000 2.146 301 F HA 0.116 4.643 4.527 0.000 0.000 0.298 301 F C 2.474 178.293 175.800 0.032 0.000 1.096 301 F CA 1.069 59.075 58.000 0.010 0.000 1.275 301 F CB -0.176 38.808 39.000 -0.027 0.000 1.008 301 F HN 0.031 nan 8.300 nan 0.000 0.480 302 R N 0.439 121.014 120.500 0.125 0.000 2.096 302 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 302 R C 2.195 178.460 176.300 -0.059 0.000 1.127 302 R CA 1.619 57.742 56.100 0.038 0.000 0.968 302 R CB -0.320 30.084 30.300 0.173 0.000 0.861 302 R HN 0.310 nan 8.270 nan 0.000 0.440 303 K N 0.543 120.928 120.400 -0.026 0.000 2.025 303 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 303 K C 2.212 178.758 176.600 -0.090 0.000 1.049 303 K CA 1.167 57.434 56.287 -0.034 0.000 0.933 303 K CB -0.050 32.450 32.500 0.000 0.000 0.714 303 K HN 0.154 nan 8.250 nan 0.000 0.438 304 Q N 1.009 120.728 119.800 -0.136 0.000 2.096 304 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 304 Q C 1.676 177.540 176.000 -0.227 0.000 0.982 304 Q CA 2.043 57.746 55.803 -0.167 0.000 0.850 304 Q CB -0.053 28.575 28.738 -0.184 0.000 0.901 304 Q HN 0.199 nan 8.270 nan 0.000 0.422 305 D N -0.243 119.934 120.400 -0.371 0.000 2.144 305 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 305 D C 1.929 178.129 176.300 -0.166 0.000 0.984 305 D CA 0.999 54.793 54.000 -0.343 0.000 0.834 305 D CB -0.095 40.418 40.800 -0.477 0.000 0.955 305 D HN 0.123 nan 8.370 nan 0.000 0.465 306 R N 0.031 120.458 120.500 -0.120 0.000 2.092 306 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 306 R C 2.012 178.275 176.300 -0.061 0.000 1.119 306 R CA 1.243 57.304 56.100 -0.064 0.000 0.970 306 R CB -0.316 29.965 30.300 -0.032 0.000 0.864 306 R HN 0.210 nan 8.270 nan 0.000 0.440 307 A N 2.027 124.806 122.820 -0.069 0.000 1.898 307 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 307 A C 1.970 179.519 177.584 -0.059 0.000 1.181 307 A CA 1.619 53.622 52.037 -0.056 0.000 0.620 307 A CB -0.418 18.550 19.000 -0.054 0.000 0.819 307 A HN 0.671 nan 8.150 nan 0.000 0.442 308 E N 0.329 120.485 120.200 -0.073 0.000 2.072 308 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 308 E C 1.817 178.380 176.600 -0.061 0.000 0.985 308 E CA 1.299 57.659 56.400 -0.066 0.000 0.801 308 E CB -0.423 29.233 29.700 -0.073 0.000 0.750 308 E HN 0.572 nan 8.360 nan 0.000 0.452 309 K N 0.667 121.028 120.400 -0.066 0.000 2.160 309 K HA -0.114 4.205 4.320 -0.000 0.000 0.206 309 K C 2.338 178.904 176.600 -0.056 0.000 1.047 309 K CA 1.389 57.639 56.287 -0.061 0.000 0.930 309 K CB -0.117 32.347 32.500 -0.060 0.000 0.720 309 K HN 0.073 nan 8.250 nan 0.000 0.450 310 R N 0.546 121.015 120.500 -0.051 0.000 2.115 310 R HA -0.087 4.252 4.340 -0.000 0.000 0.226 310 R C 2.310 178.583 176.300 -0.046 0.000 1.100 310 R CA 1.191 57.264 56.100 -0.046 0.000 0.980 310 R CB 0.016 30.293 30.300 -0.038 0.000 0.875 310 R HN 0.294 nan 8.270 nan 0.000 0.445 311 Q N 0.052 119.825 119.800 -0.046 0.000 2.083 311 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 311 Q C 1.977 177.948 176.000 -0.048 0.000 0.969 311 Q CA 1.048 56.825 55.803 -0.044 0.000 0.838 311 Q CB 0.026 28.740 28.738 -0.041 0.000 0.900 311 Q HN 0.340 nan 8.270 nan 0.000 0.436 312 E N 0.279 120.448 120.200 -0.052 0.000 2.058 312 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 312 E C 1.730 178.293 176.600 -0.061 0.000 0.997 312 E CA 1.691 58.057 56.400 -0.056 0.000 0.801 312 E CB 0.107 29.772 29.700 -0.058 0.000 0.746 312 E HN 0.290 nan 8.360 nan 0.000 0.450 313 T N 1.645 116.161 114.554 -0.062 0.000 2.544 313 T HA -0.204 4.146 4.350 -0.000 0.000 0.264 313 T C 1.619 176.280 174.700 -0.065 0.000 1.096 313 T CA 1.723 63.782 62.100 -0.067 0.000 1.181 313 T CB -0.377 68.452 68.868 -0.064 0.000 0.864 313 T HN 0.203 nan 8.240 nan 0.000 0.415 314 E N 0.572 120.738 120.200 -0.056 0.000 2.209 314 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 314 E C 2.238 178.804 176.600 -0.056 0.000 0.993 314 E CA 0.715 57.084 56.400 -0.052 0.000 0.819 314 E CB -0.318 29.357 29.700 -0.043 0.000 0.745 314 E HN 0.435 nan 8.360 nan 0.000 0.477 315 R N 0.524 120.990 120.500 -0.057 0.000 2.070 315 R HA -0.089 4.251 4.340 -0.000 0.000 0.233 315 R C 2.560 178.815 176.300 -0.076 0.000 1.137 315 R CA 1.067 57.131 56.100 -0.060 0.000 0.945 315 R CB -0.267 30.000 30.300 -0.055 0.000 0.845 315 R HN 0.131 nan 8.270 nan 0.000 0.430 316 L N 0.485 121.658 121.223 -0.084 0.000 2.012 316 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 316 L C 2.535 179.321 176.870 -0.141 0.000 1.073 316 L CA 1.301 56.076 54.840 -0.109 0.000 0.748 316 L CB -0.430 41.568 42.059 -0.102 0.000 0.891 316 L HN 0.307 nan 8.230 nan 0.000 0.431 317 I N -0.934 119.570 120.570 -0.110 0.000 2.286 317 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 317 I C 2.516 178.571 176.117 -0.104 0.000 1.115 317 I CA 1.136 62.374 61.300 -0.103 0.000 1.392 317 I CB -0.204 37.758 38.000 -0.064 0.000 1.065 317 I HN 0.067 nan 8.210 nan 0.000 0.418 318 V N 0.466 120.329 119.914 -0.085 0.000 2.427 318 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 318 V C 1.876 177.919 176.094 -0.084 0.000 1.051 318 V CA 1.739 63.998 62.300 -0.069 0.000 1.048 318 V CB -0.355 31.436 31.823 -0.053 0.000 0.666 318 V HN 0.504 nan 8.190 nan 0.000 0.456 319 Q N -1.031 118.705 119.800 -0.107 0.000 2.246 319 Q HA 0.118 4.458 4.340 -0.000 0.000 0.202 319 Q C 0.181 176.078 176.000 -0.172 0.000 0.883 319 Q CA -0.181 55.556 55.803 -0.109 0.000 0.952 319 Q CB 0.409 29.093 28.738 -0.090 0.000 1.078 319 Q HN 0.560 nan 8.270 nan 0.000 0.493 320 Q N 0.216 119.854 119.800 -0.269 0.000 2.435 320 Q HA -0.222 4.117 4.340 -0.000 0.000 0.286 320 Q C -0.928 174.692 176.000 -0.634 0.000 1.229 320 Q CA 0.929 56.387 55.803 -0.575 0.000 0.884 320 Q CB -1.235 27.334 28.738 -0.281 0.000 1.245 320 Q HN 0.321 nan 8.270 nan 0.000 0.488 321 R N -0.938 119.325 120.500 -0.395 0.000 2.668 321 R HA 0.779 5.119 4.340 -0.000 0.000 0.279 321 R C 0.815 177.025 176.300 -0.150 0.000 0.976 321 R CA -0.088 55.886 56.100 -0.209 0.000 0.978 321 R CB 1.398 31.625 30.300 -0.121 0.000 1.133 321 R HN 0.193 nan 8.270 nan 0.000 0.484 322 G N 0.205 108.981 108.800 -0.040 0.000 2.795 322 G HA2 0.475 4.435 3.960 -0.000 0.000 0.267 322 G HA3 0.475 4.435 3.960 -0.000 0.000 0.267 322 G C -0.132 174.744 174.900 -0.040 0.000 1.362 322 G CA -0.665 44.426 45.100 -0.016 0.000 1.048 322 G HN 0.448 nan 8.290 nan 0.000 0.547 323 V N -1.937 117.948 119.914 -0.049 0.000 3.546 323 V HA 0.662 4.782 4.120 -0.000 0.000 0.296 323 V C 0.873 176.950 176.094 -0.028 0.000 1.082 323 V CA -0.328 61.942 62.300 -0.050 0.000 1.086 323 V CB 0.387 32.172 31.823 -0.064 0.000 1.174 323 V HN 1.215 nan 8.190 nan 0.000 0.464 324 A N 0.071 122.873 122.820 -0.029 0.000 2.331 324 A HA 0.408 4.728 4.320 -0.000 0.000 0.283 324 A C 0.354 177.935 177.584 -0.006 0.000 1.142 324 A CA -0.545 51.481 52.037 -0.017 0.000 0.812 324 A CB -0.098 18.888 19.000 -0.023 0.000 1.074 324 A HN 0.900 nan 8.150 nan 0.000 0.497 325 E N 1.607 121.811 120.200 0.006 0.000 1.852 325 E HA 0.138 4.488 4.350 -0.000 0.000 0.276 325 E C -0.505 176.101 176.600 0.011 0.000 1.163 325 E CA 0.239 56.650 56.400 0.018 0.000 1.117 325 E CB 0.008 29.725 29.700 0.029 0.000 1.124 325 E HN 0.440 nan 8.360 nan 0.000 0.458 326 K N 0.820 121.222 120.400 0.003 0.000 2.525 326 K HA 0.402 4.722 4.320 -0.000 0.000 0.254 326 K C -1.086 175.510 176.600 -0.007 0.000 0.934 326 K CA -0.715 55.569 56.287 -0.004 0.000 0.802 326 K CB 1.798 34.291 32.500 -0.013 0.000 1.295 326 K HN 0.298 nan 8.250 nan 0.000 0.433 327 A N 1.877 124.693 122.820 -0.007 0.000 2.546 327 A HA 0.041 4.361 4.320 -0.000 0.000 0.243 327 A C 1.091 178.662 177.584 -0.022 0.000 1.063 327 A CA 0.718 52.749 52.037 -0.010 0.000 0.757 327 A CB 0.068 19.060 19.000 -0.014 0.000 0.991 327 A HN 0.874 nan 8.150 nan 0.000 0.503 328 S N 2.384 118.073 115.700 -0.018 0.000 2.446 328 S HA 0.332 4.802 4.470 -0.000 0.000 0.225 328 S C 1.476 176.053 174.600 -0.039 0.000 1.016 328 S CA 1.083 59.264 58.200 -0.032 0.000 0.943 328 S CB -0.099 63.090 63.200 -0.018 0.000 0.786 328 S HN 2.531 nan 8.310 nan 0.000 0.508 329 G N 0.499 109.279 108.800 -0.033 0.000 2.218 329 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 329 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 329 G C -0.098 174.775 174.900 -0.044 0.000 0.994 329 G CA 0.038 45.102 45.100 -0.060 0.000 0.637 329 G HN 0.503 nan 8.290 nan 0.000 0.505 330 E N 0.554 120.798 120.200 0.074 0.000 2.371 330 E HA 0.392 4.742 4.350 -0.000 0.000 0.257 330 E C 0.690 177.365 176.600 0.124 0.000 1.134 330 E CA -0.317 56.224 56.400 0.234 0.000 0.919 330 E CB 0.590 30.511 29.700 0.369 0.000 1.025 330 E HN 0.326 nan 8.360 nan 0.000 0.438 331 E N 0.396 120.732 120.200 0.226 0.000 2.498 331 E HA 0.086 4.436 4.350 -0.000 0.000 0.203 331 E C 1.525 178.222 176.600 0.163 0.000 1.013 331 E CA 0.059 56.541 56.400 0.136 0.000 0.927 331 E CB 0.483 30.287 29.700 0.174 0.000 1.012 331 E HN 0.698 nan 8.360 nan 0.000 0.482 332 G N 1.488 110.437 108.800 0.248 0.000 2.586 332 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 332 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 332 G C 1.682 176.662 174.900 0.133 0.000 1.216 332 G CA 1.024 46.272 45.100 0.245 0.000 0.786 332 G HN 0.206 nan 8.290 nan 0.000 0.583 333 V N 1.236 121.214 119.914 0.107 0.000 2.407 333 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 333 V C 2.617 178.740 176.094 0.048 0.000 1.055 333 V CA 1.782 64.117 62.300 0.057 0.000 1.049 333 V CB -0.422 31.422 31.823 0.036 0.000 0.662 333 V HN 0.408 nan 8.190 nan 0.000 0.455 334 N N -0.135 118.592 118.700 0.045 0.000 2.244 334 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 334 N C 1.777 177.287 175.510 0.000 0.000 1.016 334 N CA 1.284 54.347 53.050 0.023 0.000 0.866 334 N CB 0.009 38.505 38.487 0.014 0.000 0.980 334 N HN 0.443 nan 8.380 nan 0.000 0.430 335 I N 0.767 121.339 120.570 0.003 0.000 2.286 335 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 335 I C 2.094 178.168 176.117 -0.072 0.000 1.104 335 I CA 0.607 61.878 61.300 -0.048 0.000 1.397 335 I CB -0.073 37.903 38.000 -0.041 0.000 1.072 335 I HN 0.044 nan 8.210 nan 0.000 0.417 336 I N 0.882 121.442 120.570 -0.018 0.000 2.163 336 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 336 I C 2.815 178.932 176.117 0.000 0.000 1.085 336 I CA 1.556 62.857 61.300 0.000 0.000 1.347 336 I CB -0.549 37.480 38.000 0.048 0.000 1.044 336 I HN 0.197 nan 8.210 nan 0.000 0.408 337 A N 0.697 123.527 122.820 0.017 0.000 1.908 337 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 337 A C 2.535 180.102 177.584 -0.027 0.000 1.181 337 A CA 2.027 54.077 52.037 0.021 0.000 0.627 337 A CB -0.866 18.155 19.000 0.034 0.000 0.818 337 A HN 0.463 nan 8.150 nan 0.000 0.445 338 A N -0.437 122.342 122.820 -0.067 0.000 1.898 338 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 338 A C 2.131 179.610 177.584 -0.176 0.000 1.181 338 A CA 1.408 53.370 52.037 -0.123 0.000 0.620 338 A CB -0.572 18.335 19.000 -0.155 0.000 0.819 338 A HN 0.468 nan 8.150 nan 0.000 0.442 339 L N -0.732 120.368 121.223 -0.205 0.000 2.191 339 L HA -0.106 4.233 4.340 -0.000 0.000 0.212 339 L C 2.026 178.824 176.870 -0.121 0.000 1.103 339 L CA 0.749 55.426 54.840 -0.272 0.000 0.769 339 L CB -0.289 41.549 42.059 -0.369 0.000 0.908 339 L HN 0.368 nan 8.230 nan 0.000 0.438 340 L N -1.045 120.148 121.223 -0.050 0.000 2.558 340 L HA 0.151 4.491 4.340 -0.000 0.000 0.225 340 L C 1.441 178.307 176.870 -0.006 0.000 1.128 340 L CA 0.622 55.464 54.840 0.004 0.000 0.868 340 L CB -0.116 41.967 42.059 0.040 0.000 1.006 340 L HN 0.447 nan 8.230 nan 0.000 0.454 341 G N 0.107 108.885 108.800 -0.036 0.000 2.179 341 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 341 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 341 G C 0.466 175.355 174.900 -0.018 0.000 0.990 341 G CA -0.157 44.925 45.100 -0.030 0.000 0.646 341 G HN 0.250 nan 8.290 nan 0.000 0.517 342 L N 0.752 121.967 121.223 -0.013 0.000 2.737 342 L HA 0.577 4.917 4.340 -0.000 0.000 0.236 342 L C 1.200 178.068 176.870 -0.003 0.000 1.219 342 L CA 0.426 55.267 54.840 0.002 0.000 1.021 342 L CB -0.242 41.828 42.059 0.018 0.000 1.291 342 L HN 0.742 nan 8.230 nan 0.000 0.470 343 G N 0.345 109.135 108.800 -0.017 0.000 2.350 343 G HA2 0.215 4.175 3.960 -0.000 0.000 0.305 343 G HA3 0.215 4.175 3.960 -0.000 0.000 0.305 343 G C -1.786 173.087 174.900 -0.045 0.000 1.479 343 G CA -0.758 44.333 45.100 -0.015 0.000 0.949 343 G HN 0.113 nan 8.290 nan 0.000 0.651 344 E N -0.943 119.242 120.200 -0.025 0.000 2.336 344 E HA 0.847 5.197 4.350 -0.000 0.000 0.267 344 E C -1.828 174.765 176.600 -0.013 0.000 0.906 344 E CA -1.164 55.197 56.400 -0.066 0.000 0.781 344 E CB 2.824 32.522 29.700 -0.003 0.000 1.261 344 E HN 1.019 nan 8.360 nan 0.000 0.436 345 L N 1.367 122.561 121.223 -0.048 0.000 2.549 345 L HA 0.403 4.743 4.340 -0.000 0.000 0.259 345 L C -1.994 174.910 176.870 0.057 0.000 0.934 345 L CA -0.629 54.213 54.840 0.003 0.000 0.865 345 L CB 2.351 44.383 42.059 -0.045 0.000 1.352 345 L HN 0.546 nan 8.230 nan 0.000 0.410 346 V N 3.676 123.653 119.914 0.105 0.000 2.350 346 V HA 0.824 4.944 4.120 -0.000 0.000 0.285 346 V C -0.138 176.007 176.094 0.085 0.000 1.014 346 V CA -0.146 62.227 62.300 0.121 0.000 0.831 346 V CB 1.383 33.287 31.823 0.134 0.000 1.000 346 V HN 0.896 nan 8.190 nan 0.000 0.433 347 T N 3.653 118.252 114.554 0.075 0.000 2.821 347 T HA 0.365 4.715 4.350 -0.000 0.000 0.306 347 T C -1.169 173.577 174.700 0.075 0.000 1.313 347 T CA -0.798 61.364 62.100 0.103 0.000 1.012 347 T CB 1.633 70.579 68.868 0.129 0.000 1.298 347 T HN 0.765 nan 8.240 nan 0.000 0.502 348 N N 1.905 120.655 118.700 0.083 0.000 2.520 348 N HA 0.450 5.190 4.740 -0.000 0.000 0.273 348 N C -0.199 175.299 175.510 -0.020 0.000 1.155 348 N CA -0.297 52.758 53.050 0.009 0.000 0.967 348 N CB 1.248 39.712 38.487 -0.039 0.000 1.092 348 N HN 0.638 nan 8.380 nan 0.000 0.457 349 V N -1.340 118.548 119.914 -0.042 0.000 3.159 349 V HA 0.588 4.708 4.120 -0.000 0.000 0.308 349 V C -0.551 175.500 176.094 -0.072 0.000 1.190 349 V CA -1.213 61.049 62.300 -0.063 0.000 1.037 349 V CB 1.871 33.664 31.823 -0.050 0.000 1.060 349 V HN 0.705 nan 8.190 nan 0.000 0.437 353 N N 1.926 120.546 118.700 -0.133 0.000 2.442 353 N HA 0.170 4.910 4.740 -0.000 0.000 0.265 353 N C -0.076 175.388 175.510 -0.077 0.000 1.138 353 N CA 0.243 53.242 53.050 -0.086 0.000 0.956 353 N CB 0.534 38.983 38.487 -0.064 0.000 1.067 353 N HN 0.185 nan 8.380 nan 0.000 0.474 354 Q N 2.495 122.258 119.800 -0.061 0.000 2.129 354 Q HA 0.275 4.615 4.340 -0.000 0.000 0.274 354 Q C 0.504 176.485 176.000 -0.032 0.000 0.854 354 Q CA 0.008 55.783 55.803 -0.046 0.000 1.123 354 Q CB 0.659 29.372 28.738 -0.042 0.000 1.226 354 Q HN 0.918 nan 8.270 nan 0.000 0.454 355 G N 1.434 110.215 108.800 -0.032 0.000 2.231 355 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.206 355 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.206 355 G C 0.989 175.874 174.900 -0.025 0.000 0.996 355 G CA 0.328 45.413 45.100 -0.026 0.000 0.645 355 G HN 0.342 nan 8.290 nan 0.000 0.498 356 Q N 0.469 120.254 119.800 -0.026 0.000 2.224 356 Q HA 0.151 4.491 4.340 -0.000 0.000 0.203 356 Q C 0.715 176.699 176.000 -0.026 0.000 0.970 356 Q CA 1.583 57.373 55.803 -0.022 0.000 0.865 356 Q CB -0.041 28.685 28.738 -0.020 0.000 0.922 356 Q HN 0.691 nan 8.270 nan 0.000 0.445 357 V N 2.493 122.389 119.914 -0.030 0.000 2.409 357 V HA 0.312 4.432 4.120 -0.000 0.000 0.291 357 V C 0.148 176.222 176.094 -0.033 0.000 1.020 357 V CA -0.780 61.500 62.300 -0.032 0.000 0.848 357 V CB 1.686 33.489 31.823 -0.033 0.000 0.990 357 V HN 0.183 nan 8.190 nan 0.000 0.430 358 L N 5.044 126.246 121.223 -0.035 0.000 2.461 358 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 358 L C 1.017 177.866 176.870 -0.036 0.000 1.197 358 L CA 0.004 54.823 54.840 -0.034 0.000 0.836 358 L CB 0.115 42.154 42.059 -0.034 0.000 1.105 358 L HN 0.814 nan 8.230 nan 0.000 0.477 359 N N 0.711 119.392 118.700 -0.032 0.000 2.782 359 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 359 N C -1.048 174.444 175.510 -0.029 0.000 1.101 359 N CA 0.701 53.733 53.050 -0.031 0.000 0.764 359 N CB -0.958 37.507 38.487 -0.037 0.000 1.122 359 N HN 0.217 nan 8.380 nan 0.000 0.561 360 L N 0.225 121.432 121.223 -0.027 0.000 2.370 360 L HA 0.602 4.942 4.340 -0.000 0.000 0.266 360 L C -1.883 174.974 176.870 -0.022 0.000 1.002 360 L CA -1.874 52.954 54.840 -0.021 0.000 0.818 360 L CB 1.176 43.224 42.059 -0.018 0.000 1.325 360 L HN -0.221 nan 8.230 nan 0.000 0.418 361 P HA 0.164 nan 4.420 nan 0.000 0.268 361 P C -0.463 176.819 177.300 -0.030 0.000 1.208 361 P CA -0.118 62.969 63.100 -0.022 0.000 0.777 361 P CB 0.337 32.026 31.700 -0.017 0.000 0.875 362 I N -0.091 120.459 120.570 -0.033 0.000 2.662 362 I HA 0.082 4.251 4.170 -0.000 0.000 0.291 362 I C 0.657 176.742 176.117 -0.054 0.000 1.046 362 I CA 0.016 61.290 61.300 -0.044 0.000 1.361 362 I CB 0.550 38.526 38.000 -0.039 0.000 1.429 362 I HN 0.354 nan 8.210 nan 0.000 0.558 363 Q N 2.015 121.766 119.800 -0.081 0.000 2.559 363 Q HA -0.208 4.131 4.340 -0.000 0.000 0.151 363 Q C 0.480 176.414 176.000 -0.109 0.000 0.725 363 Q CA 1.442 57.179 55.803 -0.110 0.000 1.230 363 Q CB -2.162 26.532 28.738 -0.074 0.000 1.099 363 Q HN 1.051 nan 8.270 nan 0.000 1.047 364 A N 1.965 124.742 122.820 -0.072 0.000 2.498 364 A HA 0.351 4.671 4.320 -0.000 0.000 0.239 364 A C 0.671 178.209 177.584 -0.077 0.000 1.068 364 A CA -0.090 51.914 52.037 -0.055 0.000 0.766 364 A CB 0.113 19.096 19.000 -0.028 0.000 1.003 364 A HN 0.210 nan 8.150 nan 0.000 0.497 365 I N 3.668 124.197 120.570 -0.069 0.000 2.505 365 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 365 I C 0.505 176.588 176.117 -0.057 0.000 1.104 365 I CA 0.483 61.735 61.300 -0.080 0.000 1.387 365 I CB -0.449 37.512 38.000 -0.067 0.000 1.404 365 I HN 0.461 nan 8.210 nan 0.000 0.528 366 V N 3.336 123.212 119.914 -0.063 0.000 2.960 366 V HA 0.635 4.755 4.120 -0.000 0.000 0.315 366 V C -0.363 175.697 176.094 -0.057 0.000 1.087 366 V CA -0.970 61.302 62.300 -0.047 0.000 0.982 366 V CB 2.331 34.130 31.823 -0.039 0.000 1.039 366 V HN 0.749 nan 8.190 nan 0.000 0.437 367 E N 1.691 121.858 120.200 -0.054 0.000 2.113 367 E HA 0.680 5.030 4.350 -0.000 0.000 0.273 367 E C -0.424 176.145 176.600 -0.050 0.000 0.924 367 E CA -0.187 56.173 56.400 -0.066 0.000 0.764 367 E CB 1.387 31.032 29.700 -0.091 0.000 1.104 367 E HN 1.163 nan 8.360 nan 0.000 0.406 368 T N 1.186 115.715 114.554 -0.042 0.000 2.841 368 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 368 T C -0.217 174.474 174.700 -0.015 0.000 1.166 368 T CA -1.168 60.916 62.100 -0.027 0.000 1.007 368 T CB 0.875 69.732 68.868 -0.019 0.000 1.253 368 T HN 0.281 nan 8.240 nan 0.000 0.511 369 N N 0.798 119.498 118.700 0.001 0.000 2.407 369 N HA 0.500 5.239 4.740 -0.000 0.000 0.250 369 N C -0.304 175.223 175.510 0.028 0.000 1.236 369 N CA 0.253 53.316 53.050 0.021 0.000 0.879 369 N CB 0.708 39.214 38.487 0.031 0.000 1.088 369 N HN 1.028 nan 8.380 nan 0.000 0.450 370 A N 1.211 124.056 122.820 0.041 0.000 2.515 370 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 370 A C -1.260 176.392 177.584 0.113 0.000 1.094 370 A CA -0.708 51.364 52.037 0.058 0.000 0.718 370 A CB 1.033 20.041 19.000 0.012 0.000 1.307 370 A HN 0.479 nan 8.150 nan 0.000 0.408 371 F N 1.983 121.912 119.950 -0.035 0.000 2.411 371 F HA 0.695 5.222 4.527 0.000 0.000 0.355 371 F C -0.602 175.158 175.800 -0.065 0.000 1.117 371 F CA -1.190 56.787 58.000 -0.039 0.000 1.139 371 F CB 0.380 39.364 39.000 -0.027 0.000 1.120 371 F HN 0.359 nan 8.300 nan 0.000 0.493 372 I N 6.179 126.431 120.570 -0.529 0.000 2.406 372 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 372 I C -0.007 175.661 176.117 -0.748 0.000 0.999 372 I CA -0.371 60.592 61.300 -0.562 0.000 1.124 372 I CB 1.992 39.786 38.000 -0.343 0.000 1.289 372 I HN 0.649 nan 8.210 nan 0.000 0.441 373 T N 4.260 118.419 114.554 -0.658 0.000 2.645 373 T HA 0.305 4.655 4.350 -0.000 0.000 0.300 373 T C -0.754 173.766 174.700 -0.300 0.000 1.210 373 T CA -0.742 61.065 62.100 -0.489 0.000 1.034 373 T CB 1.526 70.042 68.868 -0.587 0.000 1.537 373 T HN 0.593 nan 8.240 nan 0.000 0.492 374 R N 1.965 122.362 120.500 -0.173 0.000 2.501 374 R HA -0.051 4.289 4.340 -0.000 0.000 0.319 374 R C 0.147 176.408 176.300 -0.065 0.000 0.913 374 R CA 1.035 57.078 56.100 -0.094 0.000 1.104 374 R CB -0.738 29.544 30.300 -0.030 0.000 0.901 374 R HN 0.772 nan 8.270 nan 0.000 0.407 375 N N 2.593 121.260 118.700 -0.056 0.000 2.721 375 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 375 N C -1.516 174.105 175.510 0.186 0.000 1.072 375 N CA 1.318 54.471 53.050 0.171 0.000 0.710 375 N CB -0.326 38.317 38.487 0.260 0.000 0.993 375 N HN 0.660 nan 8.380 nan 0.000 0.547 376 R N -0.832 119.557 120.500 -0.185 0.000 2.508 376 R HA 0.514 4.854 4.340 -0.000 0.000 0.283 376 R C -1.584 174.486 176.300 -0.383 0.000 1.120 376 R CA -0.631 55.399 56.100 -0.117 0.000 0.958 376 R CB 1.683 31.931 30.300 -0.086 0.000 1.215 376 R HN -0.003 nan 8.270 nan 0.000 0.427 377 V N 4.040 123.778 119.914 -0.293 0.000 2.407 377 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 377 V C -0.713 175.374 176.094 -0.012 0.000 1.018 377 V CA -0.676 61.477 62.300 -0.245 0.000 0.842 377 V CB 1.750 33.382 31.823 -0.317 0.000 0.996 377 V HN 0.684 nan 8.190 nan 0.000 0.426 378 Q N 6.067 125.877 119.800 0.017 0.000 2.320 378 Q HA 0.426 4.766 4.340 -0.000 0.000 0.268 378 Q C -2.765 173.287 176.000 0.087 0.000 1.023 378 Q CA -1.858 53.997 55.803 0.087 0.000 0.744 378 Q CB 2.912 31.743 28.738 0.154 0.000 1.246 378 Q HN 0.435 nan 8.270 nan 0.000 0.462 379 P HA 0.109 nan 4.420 nan 0.000 0.272 379 P C -0.668 176.654 177.300 0.038 0.000 1.223 379 P CA 0.048 63.168 63.100 0.034 0.000 0.784 379 P CB 0.770 32.475 31.700 0.007 0.000 0.923 380 I N 2.045 122.632 120.570 0.028 0.000 2.377 380 I HA 0.199 4.369 4.170 -0.000 0.000 0.293 380 I C 0.293 176.410 176.117 0.001 0.000 0.987 380 I CA -0.806 60.504 61.300 0.017 0.000 1.185 380 I CB 0.783 38.795 38.000 0.019 0.000 1.341 380 I HN 0.065 nan 8.210 nan 0.000 0.455 381 L N 5.796 127.015 121.223 -0.006 0.000 2.534 381 L HA 0.057 4.397 4.340 -0.000 0.000 0.271 381 L C 0.764 177.627 176.870 -0.012 0.000 1.178 381 L CA 0.440 55.273 54.840 -0.011 0.000 0.907 381 L CB 0.265 42.316 42.059 -0.014 0.000 1.164 381 L HN 0.719 nan 8.230 nan 0.000 0.482 382 S N 1.581 117.273 115.700 -0.015 0.000 2.603 382 S HA 0.336 4.806 4.470 -0.000 0.000 0.232 382 S C 0.801 175.390 174.600 -0.018 0.000 1.016 382 S CA 0.220 58.412 58.200 -0.014 0.000 0.976 382 S CB 0.921 64.113 63.200 -0.013 0.000 0.921 382 S HN 1.083 nan 8.310 nan 0.000 0.516 383 G N 1.991 110.778 108.800 -0.021 0.000 2.553 383 G HA2 0.065 4.025 3.960 -0.000 0.000 0.242 383 G HA3 0.065 4.025 3.960 -0.000 0.000 0.242 383 G C -0.195 174.684 174.900 -0.035 0.000 1.277 383 G CA -0.493 44.592 45.100 -0.026 0.000 0.910 383 G HN 0.948 nan 8.290 nan 0.000 0.576 384 A N -0.890 121.905 122.820 -0.043 0.000 2.320 384 A HA 0.842 5.162 4.320 -0.000 0.000 0.334 384 A C 0.310 177.843 177.584 -0.085 0.000 1.147 384 A CA -0.392 51.608 52.037 -0.060 0.000 0.820 384 A CB 1.013 19.980 19.000 -0.056 0.000 1.218 384 A HN 1.222 nan 8.150 nan 0.000 0.482 385 L N 1.498 122.645 121.223 -0.128 0.000 2.439 385 L HA 0.348 4.688 4.340 -0.000 0.000 0.261 385 L C -1.834 174.906 176.870 -0.217 0.000 1.153 385 L CA -1.773 52.937 54.840 -0.218 0.000 0.808 385 L CB 0.384 42.257 42.059 -0.309 0.000 1.126 385 L HN 0.462 nan 8.230 nan 0.000 0.460 386 P HA -0.009 nan 4.420 nan 0.000 0.268 386 P C -0.052 177.126 177.300 -0.202 0.000 1.208 386 P CA -0.262 62.715 63.100 -0.204 0.000 0.777 386 P CB 0.607 32.176 31.700 -0.217 0.000 0.875 387 K N 2.412 122.750 120.400 -0.104 0.000 2.044 387 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 387 K C 2.075 178.626 176.600 -0.082 0.000 1.049 387 K CA 2.375 58.615 56.287 -0.079 0.000 0.927 387 K CB -1.317 31.161 32.500 -0.037 0.000 0.713 387 K HN 0.595 nan 8.250 nan 0.000 0.443 388 G N -0.531 108.254 108.800 -0.025 0.000 2.443 388 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 388 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 388 G C 1.453 176.230 174.900 -0.205 0.000 1.131 388 G CA 0.909 46.028 45.100 0.033 0.000 0.775 388 G HN 0.221 nan 8.290 nan 0.000 0.547 389 V N 0.240 119.843 119.914 -0.518 0.000 2.488 389 V HA 0.019 4.139 4.120 -0.000 0.000 0.246 389 V C 1.595 177.509 176.094 -0.301 0.000 1.046 389 V CA 0.926 62.808 62.300 -0.697 0.000 1.053 389 V CB -0.160 30.810 31.823 -1.421 0.000 0.679 389 V HN 0.539 nan 8.190 nan 0.000 0.458 393 A N 0.568 123.524 122.820 0.226 0.000 1.898 393 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 393 A C 2.271 179.943 177.584 0.148 0.000 1.181 393 A CA 2.028 54.232 52.037 0.277 0.000 0.620 393 A CB -0.548 18.595 19.000 0.239 0.000 0.819 393 A HN 0.414 nan 8.150 nan 0.000 0.442 394 A N -0.054 122.802 122.820 0.060 0.000 1.908 394 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 394 A C 2.257 179.839 177.584 -0.003 0.000 1.181 394 A CA 1.953 54.001 52.037 0.019 0.000 0.627 394 A CB -0.528 18.467 19.000 -0.008 0.000 0.818 394 A HN 0.582 nan 8.150 nan 0.000 0.445 395 R N -1.414 119.057 120.500 -0.048 0.000 2.073 395 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 395 R C 2.170 178.378 176.300 -0.153 0.000 1.134 395 R CA 1.673 57.695 56.100 -0.131 0.000 0.952 395 R CB -0.467 29.706 30.300 -0.212 0.000 0.850 395 R HN 0.684 nan 8.270 nan 0.000 0.433 396 H N 0.408 119.475 119.070 -0.004 0.000 2.353 396 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 396 H C 2.286 177.627 175.328 0.021 0.000 1.090 396 H CA 1.855 57.908 56.048 0.009 0.000 1.327 396 H CB -0.233 29.576 29.762 0.079 0.000 1.383 396 H HN 0.275 nan 8.280 nan 0.000 0.508 397 I N 0.230 120.888 120.570 0.147 0.000 2.163 397 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 397 I C 2.673 178.815 176.117 0.042 0.000 1.085 397 I CA 0.887 62.237 61.300 0.083 0.000 1.347 397 I CB -0.265 37.770 38.000 0.057 0.000 1.044 397 I HN 0.085 nan 8.210 nan 0.000 0.408 398 S N 0.853 116.563 115.700 0.017 0.000 2.368 398 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 398 S C 1.752 176.352 174.600 -0.000 0.000 1.044 398 S CA 1.902 60.099 58.200 -0.004 0.000 1.062 398 S CB -0.384 62.798 63.200 -0.030 0.000 0.931 398 S HN 0.453 nan 8.310 nan 0.000 0.440 399 N N 1.088 119.788 118.700 -0.001 0.000 2.166 399 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 399 N C 1.838 177.369 175.510 0.035 0.000 1.019 399 N CA 0.992 54.047 53.050 0.008 0.000 0.856 399 N CB -0.488 38.001 38.487 0.002 0.000 0.993 399 N HN 0.557 nan 8.380 nan 0.000 0.426 400 Q N 0.560 120.388 119.800 0.047 0.000 2.084 400 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 400 Q C 1.652 177.672 176.000 0.033 0.000 0.978 400 Q CA 0.913 56.743 55.803 0.044 0.000 0.844 400 Q CB 0.023 28.790 28.738 0.049 0.000 0.898 400 Q HN 0.361 nan 8.270 nan 0.000 0.426 401 E N 0.491 120.706 120.200 0.026 0.000 2.077 401 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 401 E C 1.974 178.590 176.600 0.027 0.000 0.989 401 E CA 1.138 57.551 56.400 0.021 0.000 0.800 401 E CB -0.184 29.523 29.700 0.013 0.000 0.746 401 E HN 0.349 nan 8.360 nan 0.000 0.452 402 A N 1.118 123.954 122.820 0.026 0.000 1.933 402 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 402 A C 2.620 180.235 177.584 0.051 0.000 1.175 402 A CA 1.290 53.346 52.037 0.031 0.000 0.628 402 A CB -0.621 18.391 19.000 0.019 0.000 0.814 402 A HN 0.120 nan 8.150 nan 0.000 0.444 403 V N -0.062 119.889 119.914 0.060 0.000 2.295 403 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 403 V C 3.076 179.212 176.094 0.070 0.000 1.049 403 V CA 1.949 64.297 62.300 0.081 0.000 1.024 403 V CB -1.350 30.524 31.823 0.086 0.000 0.648 403 V HN 0.619 nan 8.190 nan 0.000 0.447 404 A N -0.042 122.809 122.820 0.052 0.000 1.873 404 A HA -0.300 4.019 4.320 -0.000 0.000 0.218 404 A C 2.049 179.666 177.584 0.054 0.000 1.193 404 A CA 2.285 54.351 52.037 0.049 0.000 0.629 404 A CB -0.732 18.291 19.000 0.037 0.000 0.826 404 A HN 0.557 nan 8.150 nan 0.000 0.447 405 D N -0.215 120.214 120.400 0.049 0.000 2.117 405 D HA -0.038 4.602 4.640 -0.000 0.000 0.198 405 D C 2.318 178.650 176.300 0.054 0.000 0.982 405 D CA 1.493 55.521 54.000 0.047 0.000 0.828 405 D CB -0.489 40.333 40.800 0.038 0.000 0.967 405 D HN 0.417 nan 8.370 nan 0.000 0.464 406 A N 1.034 123.893 122.820 0.064 0.000 1.883 406 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 406 A C 2.401 180.033 177.584 0.079 0.000 1.186 406 A CA 2.366 54.449 52.037 0.077 0.000 0.624 406 A CB -1.193 17.868 19.000 0.101 0.000 0.822 406 A HN 0.313 nan 8.150 nan 0.000 0.444 407 G N -0.291 108.558 108.800 0.081 0.000 2.446 407 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.217 407 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.217 407 G C 1.553 176.493 174.900 0.068 0.000 1.168 407 G CA 1.062 46.209 45.100 0.079 0.000 0.771 407 G HN 0.441 nan 8.290 nan 0.000 0.551 408 L N 0.926 122.187 121.223 0.063 0.000 2.131 408 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 408 L C 2.851 179.749 176.870 0.046 0.000 1.092 408 L CA 1.658 56.532 54.840 0.055 0.000 0.759 408 L CB -0.389 41.702 42.059 0.053 0.000 0.903 408 L HN 0.454 nan 8.230 nan 0.000 0.435 409 T N -4.908 109.674 114.554 0.046 0.000 3.092 409 T HA 0.149 4.499 4.350 -0.000 0.000 0.258 409 T C 0.578 175.303 174.700 0.042 0.000 1.031 409 T CA -0.483 61.641 62.100 0.040 0.000 0.925 409 T CB 0.015 68.905 68.868 0.037 0.000 1.036 409 T HN 0.134 nan 8.240 nan 0.000 0.544 410 K N 1.658 122.087 120.400 0.048 0.000 3.451 410 K HA -0.155 4.165 4.320 -0.000 0.000 0.273 410 K C -0.917 175.715 176.600 0.054 0.000 0.944 410 K CA 0.680 56.996 56.287 0.050 0.000 0.734 410 K CB -1.196 31.326 32.500 0.038 0.000 1.437 410 K HN 0.459 nan 8.250 nan 0.000 0.454 411 D N 0.482 120.922 120.400 0.066 0.000 2.458 411 D HA 0.094 4.734 4.640 -0.000 0.000 0.258 411 D C 1.193 177.554 176.300 0.102 0.000 1.134 411 D CA 0.033 54.075 54.000 0.070 0.000 0.915 411 D CB 0.822 41.656 40.800 0.057 0.000 1.028 411 D HN 0.268 nan 8.370 nan 0.000 0.508 412 T N -0.255 114.371 114.554 0.120 0.000 2.759 412 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 412 T C 2.030 176.834 174.700 0.173 0.000 1.042 412 T CA 1.224 63.446 62.100 0.203 0.000 1.140 412 T CB -0.440 68.546 68.868 0.196 0.000 0.864 412 T HN 0.276 nan 8.240 nan 0.000 0.455 413 G N 1.697 110.560 108.800 0.106 0.000 2.513 413 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 413 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 413 G C 1.455 176.401 174.900 0.077 0.000 1.160 413 G CA 1.171 46.322 45.100 0.086 0.000 0.767 413 G HN 0.499 nan 8.290 nan 0.000 0.571 414 L N 1.231 122.495 121.223 0.067 0.000 2.093 414 L HA 0.246 4.586 4.340 -0.000 0.000 0.208 414 L C 3.105 180.003 176.870 0.047 0.000 1.085 414 L CA 1.971 56.839 54.840 0.047 0.000 0.755 414 L CB -0.746 41.342 42.059 0.048 0.000 0.904 414 L HN 0.249 nan 8.230 nan 0.000 0.435 415 A N -0.916 121.964 122.820 0.100 0.000 1.908 415 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 415 A C 2.256 179.820 177.584 -0.033 0.000 1.181 415 A CA 1.962 54.087 52.037 0.147 0.000 0.627 415 A CB -1.171 18.047 19.000 0.363 0.000 0.818 415 A HN 0.512 nan 8.150 nan 0.000 0.445 416 F N 0.630 120.287 119.950 -0.487 0.000 2.186 416 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 416 F C 2.425 178.048 175.800 -0.295 0.000 1.090 416 F CA 1.785 59.291 58.000 -0.823 0.000 1.307 416 F CB -0.278 38.236 39.000 -0.810 0.000 1.019 416 F HN 0.215 nan 8.300 nan 0.000 0.489 417 Q N 0.468 120.126 119.800 -0.237 0.000 2.096 417 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 417 Q C 2.545 178.431 176.000 -0.190 0.000 0.982 417 Q CA 1.668 57.329 55.803 -0.236 0.000 0.850 417 Q CB -1.241 27.435 28.738 -0.104 0.000 0.901 417 Q HN 0.504 nan 8.270 nan 0.000 0.422 418 A N 0.129 122.893 122.820 -0.094 0.000 1.902 418 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 418 A C 2.003 179.565 177.584 -0.036 0.000 1.181 418 A CA 1.142 53.153 52.037 -0.043 0.000 0.623 418 A CB -0.894 18.121 19.000 0.025 0.000 0.818 418 A HN 0.345 nan 8.150 nan 0.000 0.443 419 F N 0.502 120.335 119.950 -0.195 0.000 2.095 419 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 419 F C 1.961 177.618 175.800 -0.240 0.000 1.104 419 F CA 1.792 59.700 58.000 -0.154 0.000 1.232 419 F CB -0.141 38.770 39.000 -0.149 0.000 0.987 419 F HN 0.138 nan 8.300 nan 0.000 0.475 420 L N -0.050 121.036 121.223 -0.229 0.000 2.191 420 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 420 L C 1.628 178.362 176.870 -0.226 0.000 1.103 420 L CA 1.378 56.032 54.840 -0.309 0.000 0.769 420 L CB -0.645 41.113 42.059 -0.500 0.000 0.908 420 L HN 0.184 nan 8.230 nan 0.000 0.438 421 N N -0.563 118.017 118.700 -0.200 0.000 2.398 421 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 421 N C 0.218 175.616 175.510 -0.187 0.000 1.122 421 N CA 0.087 53.035 53.050 -0.170 0.000 0.866 421 N CB 0.074 38.475 38.487 -0.143 0.000 0.970 421 N HN 0.156 nan 8.380 nan 0.000 0.462 422 D N -0.025 120.250 120.400 -0.209 0.000 2.308 422 D HA 0.094 4.734 4.640 -0.000 0.000 0.251 422 D C -1.724 174.464 176.300 -0.187 0.000 1.127 422 D CA -1.817 52.057 54.000 -0.209 0.000 0.876 422 D CB 1.776 42.432 40.800 -0.241 0.000 1.176 422 D HN 0.059 nan 8.370 nan 0.000 0.446 423 P HA -0.068 nan 4.420 nan 0.000 0.219 423 P C 1.384 178.637 177.300 -0.079 0.000 1.146 423 P CA 0.786 63.823 63.100 -0.105 0.000 0.808 423 P CB 0.267 31.930 31.700 -0.061 0.000 0.779 424 L N -1.831 119.333 121.223 -0.098 0.000 2.492 424 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 424 L C 0.491 177.295 176.870 -0.110 0.000 1.132 424 L CA 0.346 55.137 54.840 -0.083 0.000 0.850 424 L CB -0.090 41.919 42.059 -0.084 0.000 0.966 424 L HN -0.213 nan 8.230 nan 0.000 0.454 425 V N 1.226 121.037 119.914 -0.171 0.000 2.125 425 V HA 0.094 4.214 4.120 -0.000 0.000 0.263 425 V C 0.398 176.436 176.094 -0.092 0.000 1.365 425 V CA -0.033 62.158 62.300 -0.182 0.000 1.276 425 V CB 0.211 31.811 31.823 -0.371 0.000 1.350 425 V HN 0.302 nan 8.190 nan 0.000 0.487 426 Q N 4.486 124.260 119.800 -0.044 0.000 3.035 426 Q HA 0.446 4.785 4.340 -0.000 0.000 0.354 426 Q C -0.222 175.784 176.000 0.010 0.000 1.247 426 Q CA 0.014 55.806 55.803 -0.018 0.000 1.068 426 Q CB 0.977 29.710 28.738 -0.009 0.000 1.424 426 Q HN 0.883 nan 8.270 nan 0.000 0.486 427 I N -3.871 116.713 120.570 0.023 0.000 3.206 427 I HA 0.529 4.699 4.170 -0.000 0.000 0.313 427 I C -0.408 175.742 176.117 0.055 0.000 1.103 427 I CA -1.388 59.941 61.300 0.049 0.000 0.985 427 I CB 1.575 39.621 38.000 0.076 0.000 1.240 427 I HN -0.193 nan 8.210 nan 0.000 0.464 428 D N 1.566 122.003 120.400 0.062 0.000 2.423 428 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 428 D C 0.930 177.287 176.300 0.096 0.000 1.142 428 D CA 0.145 54.184 54.000 0.064 0.000 0.884 428 D CB 1.186 42.021 40.800 0.059 0.000 1.199 428 D HN 0.576 nan 8.370 nan 0.000 0.438 429 R N 1.192 121.748 120.500 0.093 0.000 2.083 429 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 429 R C 1.998 178.419 176.300 0.200 0.000 1.137 429 R CA 1.988 58.176 56.100 0.147 0.000 0.951 429 R CB -0.072 30.299 30.300 0.117 0.000 0.851 429 R HN 0.542 nan 8.270 nan 0.000 0.434 430 S N 0.220 115.997 115.700 0.129 0.000 2.383 430 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 430 S C 1.400 176.061 174.600 0.102 0.000 1.026 430 S CA 1.245 59.505 58.200 0.101 0.000 0.981 430 S CB -0.204 63.034 63.200 0.063 0.000 0.818 430 S HN 0.325 nan 8.310 nan 0.000 0.472 431 D N 2.555 123.021 120.400 0.109 0.000 2.117 431 D HA 0.016 4.656 4.640 -0.000 0.000 0.197 431 D C 2.249 178.655 176.300 0.175 0.000 0.987 431 D CA 1.480 55.549 54.000 0.115 0.000 0.829 431 D CB -0.590 40.272 40.800 0.102 0.000 0.961 431 D HN 0.577 nan 8.370 nan 0.000 0.460 432 A N 0.808 123.778 122.820 0.250 0.000 1.930 432 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 432 A C 2.116 179.950 177.584 0.417 0.000 1.175 432 A CA 1.540 53.831 52.037 0.425 0.000 0.627 432 A CB -0.447 18.834 19.000 0.469 0.000 0.815 432 A HN 0.227 nan 8.150 nan 0.000 0.443 433 E N -0.768 119.594 120.200 0.270 0.000 2.051 433 E HA -0.280 4.070 4.350 -0.000 0.000 0.192 433 E C 2.195 178.747 176.600 -0.080 0.000 0.991 433 E CA 1.476 57.797 56.400 -0.133 0.000 0.799 433 E CB -0.139 29.436 29.700 -0.208 0.000 0.748 433 E HN 0.563 nan 8.360 nan 0.000 0.449 434 Q N 0.481 120.282 119.800 0.002 0.000 2.096 434 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 434 Q C 2.092 178.100 176.000 0.014 0.000 0.982 434 Q CA 1.446 57.249 55.803 -0.001 0.000 0.850 434 Q CB -0.450 28.301 28.738 0.022 0.000 0.901 434 Q HN 0.364 nan 8.270 nan 0.000 0.422 435 L N -0.387 120.885 121.223 0.082 0.000 2.017 435 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 435 L C 2.071 178.956 176.870 0.025 0.000 1.073 435 L CA 1.906 56.811 54.840 0.109 0.000 0.745 435 L CB -1.047 41.160 42.059 0.247 0.000 0.894 435 L HN 0.396 nan 8.230 nan 0.000 0.432 436 F N 0.683 120.468 119.950 -0.276 0.000 2.069 436 F HA -0.281 4.246 4.527 0.000 0.000 0.298 436 F C 2.343 177.955 175.800 -0.313 0.000 1.113 436 F CA 2.111 59.770 58.000 -0.569 0.000 1.214 436 F CB -0.536 37.999 39.000 -0.775 0.000 0.978 436 F HN 0.259 nan 8.300 nan 0.000 0.474 437 N N 0.649 119.215 118.700 -0.223 0.000 2.166 437 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 437 N C 0.486 175.867 175.510 -0.216 0.000 1.019 437 N CA 1.187 54.085 53.050 -0.252 0.000 0.856 437 N CB -0.809 37.596 38.487 -0.136 0.000 0.993 437 N HN 0.333 nan 8.380 nan 0.000 0.426 440 L N 0.000 120.988 121.223 -0.391 0.000 2.949 440 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 440 L CA 0.000 54.623 54.840 -0.362 0.000 0.813 440 L CB 0.000 41.723 42.059 -0.560 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502