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 2pnk_1_I DATA FIRST_RESID 4 DATA SEQUENCE NSREVLAEKV KNAVNNQPVT DXHTHLFSPN FGEILLWDID ELLTYHYLVA DATA SEQUENCE EVXRWTDVSI EAFWAXSKRE QADLIWEELF IKRSPVSEAC RGVLTCLQGL DATA SEQUENCE GLDPATRDLQ VYREYFAKKT SEEQVDTVLQ LANVSDVVXT NDPFDDNERI DATA SEQUENCE SWLEGKQPDS RFHAALRLDP LLNEYEQTKH RLRDWGYKVN DEWNEGSIQE DATA SEQUENCE VKRFLTDWIE RXDPVYXAVS LPPTFSFPEE SNRGRIIRDC LLPVAEKHNI DATA SEQUENCE PFAXXIGVKK RVHPALGDAG DFVGKASXDG VEHLLREYPN NKFLVTXLSR DATA SEQUENCE ENQHELVVLA RKFSNLXIFG CWWFXNNPEI INEXTRXRXE XLGTSFIPQH DATA SEQUENCE SDARVLEQLI YKWHHSKSII AEVLIDKYDD ILQAGWEVTE EEIKRDVADL DATA SEQUENCE FSRNFWRFVG RNDHVTSVKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.519 175.510 0.014 0.000 1.280 4 N CA 0.000 53.056 53.050 0.010 0.000 0.885 4 N CB 0.000 38.492 38.487 0.008 0.000 1.341 5 S N 0.584 116.298 115.700 0.022 0.000 3.165 5 S HA -0.016 4.453 4.470 -0.001 0.000 0.221 5 S C 0.416 175.035 174.600 0.033 0.000 0.496 5 S CA -0.551 57.664 58.200 0.025 0.000 0.652 5 S CB 0.271 63.483 63.200 0.020 0.000 0.797 5 S HN 0.709 nan 8.310 nan 0.000 0.690 6 R N 2.012 122.535 120.500 0.038 0.000 2.120 6 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 6 R C 1.455 177.782 176.300 0.045 0.000 1.123 6 R CA 2.267 58.396 56.100 0.047 0.000 0.975 6 R CB -0.160 30.169 30.300 0.048 0.000 0.866 6 R HN 0.757 nan 8.270 nan 0.000 0.446 7 E N -0.600 119.622 120.200 0.036 0.000 2.152 7 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 7 E C 1.872 178.491 176.600 0.031 0.000 0.983 7 E CA 0.905 57.325 56.400 0.034 0.000 0.818 7 E CB 0.089 29.806 29.700 0.029 0.000 0.758 7 E HN 0.073 nan 8.360 nan 0.000 0.467 8 V N 0.946 120.876 119.914 0.027 0.000 2.270 8 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 8 V C 2.189 178.297 176.094 0.023 0.000 1.043 8 V CA 1.425 63.738 62.300 0.021 0.000 1.014 8 V CB -0.464 31.367 31.823 0.013 0.000 0.645 8 V HN 0.234 nan 8.190 nan 0.000 0.447 9 L N 1.120 122.360 121.223 0.029 0.000 1.997 9 L HA -0.232 4.107 4.340 -0.001 0.000 0.216 9 L C 2.475 179.378 176.870 0.055 0.000 1.074 9 L CA 2.676 57.538 54.840 0.037 0.000 0.763 9 L CB -1.052 41.044 42.059 0.060 0.000 0.890 9 L HN 0.252 nan 8.230 nan 0.000 0.434 10 A N -1.012 121.844 122.820 0.061 0.000 1.892 10 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 10 A C 2.286 179.905 177.584 0.058 0.000 1.188 10 A CA 2.053 54.130 52.037 0.067 0.000 0.631 10 A CB -0.795 18.240 19.000 0.059 0.000 0.822 10 A HN 0.597 nan 8.150 nan 0.000 0.447 11 E N -0.039 120.187 120.200 0.044 0.000 2.158 11 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 11 E C 1.966 178.585 176.600 0.032 0.000 0.982 11 E CA 1.295 57.718 56.400 0.037 0.000 0.823 11 E CB -0.120 29.598 29.700 0.030 0.000 0.766 11 E HN 0.599 nan 8.360 nan 0.000 0.468 12 K N -0.176 120.239 120.400 0.025 0.000 2.026 12 K HA -0.084 4.235 4.320 -0.001 0.000 0.208 12 K C 2.115 178.731 176.600 0.028 0.000 1.048 12 K CA 1.417 57.713 56.287 0.014 0.000 0.929 12 K CB -0.232 32.264 32.500 -0.007 0.000 0.713 12 K HN 0.058 nan 8.250 nan 0.000 0.439 13 V N 2.055 122.001 119.914 0.054 0.000 2.295 13 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 13 V C 2.152 178.300 176.094 0.090 0.000 1.049 13 V CA 1.726 64.087 62.300 0.102 0.000 1.024 13 V CB -0.391 31.540 31.823 0.179 0.000 0.648 13 V HN 0.306 nan 8.190 nan 0.000 0.447 14 K N 0.148 120.593 120.400 0.074 0.000 2.063 14 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 14 K C 2.005 178.627 176.600 0.037 0.000 1.048 14 K CA 1.733 58.055 56.287 0.059 0.000 0.928 14 K CB -0.281 32.252 32.500 0.055 0.000 0.713 14 K HN 0.437 nan 8.250 nan 0.000 0.442 15 N N 0.630 119.348 118.700 0.030 0.000 2.250 15 N HA -0.071 4.668 4.740 -0.001 0.000 0.181 15 N C 1.715 177.227 175.510 0.003 0.000 1.017 15 N CA 1.146 54.205 53.050 0.015 0.000 0.866 15 N CB -0.311 38.184 38.487 0.014 0.000 0.985 15 N HN 0.154 nan 8.380 nan 0.000 0.429 16 A N 0.943 123.771 122.820 0.014 0.000 1.883 16 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 16 A C 2.497 180.071 177.584 -0.016 0.000 1.186 16 A CA 1.531 53.575 52.037 0.012 0.000 0.624 16 A CB -0.890 18.135 19.000 0.042 0.000 0.822 16 A HN 0.106 nan 8.150 nan 0.000 0.444 17 V N 0.793 120.700 119.914 -0.011 0.000 2.358 17 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 17 V C 2.302 178.274 176.094 -0.204 0.000 1.047 17 V CA 2.118 64.352 62.300 -0.111 0.000 1.035 17 V CB -0.917 30.900 31.823 -0.011 0.000 0.658 17 V HN 0.557 nan 8.190 nan 0.000 0.452 18 N N 0.817 119.461 118.700 -0.093 0.000 2.188 18 N HA -0.110 4.630 4.740 -0.001 0.000 0.184 18 N C 1.557 177.012 175.510 -0.093 0.000 1.018 18 N CA 1.262 54.266 53.050 -0.075 0.000 0.858 18 N CB -0.463 38.019 38.487 -0.008 0.000 0.989 18 N HN 0.472 nan 8.380 nan 0.000 0.426 19 N N 0.775 119.430 118.700 -0.076 0.000 2.446 19 N HA -0.074 4.666 4.740 -0.001 0.000 0.179 19 N C 0.395 175.851 175.510 -0.090 0.000 1.054 19 N CA 0.202 53.213 53.050 -0.065 0.000 0.905 19 N CB -0.117 38.348 38.487 -0.037 0.000 0.973 19 N HN 0.310 nan 8.380 nan 0.000 0.448 20 Q N 2.390 122.110 119.800 -0.134 0.000 2.286 20 Q HA 0.189 4.529 4.340 -0.001 0.000 0.267 20 Q C -2.590 173.300 176.000 -0.183 0.000 1.028 20 Q CA -1.653 54.067 55.803 -0.138 0.000 0.901 20 Q CB 0.788 29.431 28.738 -0.158 0.000 1.183 20 Q HN 0.022 nan 8.270 nan 0.000 0.392 21 P HA 0.013 nan 4.420 nan 0.000 0.271 21 P C -1.061 176.144 177.300 -0.159 0.000 1.216 21 P CA -0.141 62.878 63.100 -0.135 0.000 0.771 21 P CB 0.808 32.465 31.700 -0.071 0.000 0.864 22 V N 4.020 123.763 119.914 -0.286 0.000 2.509 22 V HA 0.215 4.335 4.120 -0.001 0.000 0.284 22 V C 0.601 176.543 176.094 -0.254 0.000 1.047 22 V CA -0.014 62.054 62.300 -0.387 0.000 0.952 22 V CB 1.324 32.565 31.823 -0.970 0.000 0.988 22 V HN 0.481 nan 8.190 nan 0.000 0.469 23 T N 4.302 118.783 114.554 -0.122 0.000 2.728 23 T HA 0.229 4.578 4.350 -0.001 0.000 0.296 23 T C -0.159 174.423 174.700 -0.196 0.000 0.940 23 T CA -0.094 61.964 62.100 -0.071 0.000 1.013 23 T CB 0.651 69.569 68.868 0.083 0.000 0.912 23 T HN 0.785 nan 8.240 nan 0.000 0.484 27 T N 1.349 115.645 114.554 -0.431 0.000 2.864 27 T HA 0.386 4.735 4.350 -0.001 0.000 0.289 27 T C -0.184 174.147 174.700 -0.615 0.000 1.082 27 T CA -0.759 61.164 62.100 -0.295 0.000 1.009 27 T CB 2.120 70.918 68.868 -0.117 0.000 1.234 27 T HN 0.654 nan 8.240 nan 0.000 0.526 28 H N 0.782 119.747 119.070 -0.176 0.000 2.481 28 H HA 0.420 4.975 4.556 -0.001 0.000 0.273 28 H C -0.220 174.930 175.328 -0.296 0.000 1.145 28 H CA -0.184 55.734 56.048 -0.216 0.000 0.964 28 H CB 0.064 29.825 29.762 -0.002 0.000 1.722 28 H HN 0.307 nan 8.280 nan 0.000 0.573 29 L N 0.309 121.366 121.223 -0.276 0.000 2.387 29 L HA 0.427 4.766 4.340 -0.001 0.000 0.266 29 L C -0.530 176.061 176.870 -0.465 0.000 1.059 29 L CA -0.650 54.102 54.840 -0.147 0.000 0.801 29 L CB 1.070 43.178 42.059 0.082 0.000 1.223 29 L HN -0.029 nan 8.230 nan 0.000 0.456 30 F N -0.871 119.095 119.950 0.027 0.000 2.588 30 F HA 0.273 4.800 4.527 -0.001 0.000 0.310 30 F C 0.497 175.839 175.800 -0.763 0.000 1.082 30 F CA -0.666 57.190 58.000 -0.241 0.000 0.929 30 F CB 1.983 40.929 39.000 -0.090 0.000 1.254 30 F HN 0.304 nan 8.300 nan 0.000 0.455 31 S N 2.696 117.660 115.700 -1.227 0.000 2.561 31 S HA 0.045 4.514 4.470 -0.001 0.000 0.294 31 S C -1.559 172.563 174.600 -0.797 0.000 1.294 31 S CA -0.801 56.457 58.200 -1.571 0.000 1.055 31 S CB 0.674 63.032 63.200 -1.403 0.000 0.819 31 S HN 0.395 nan 8.310 nan 0.000 0.503 32 P HA -0.088 nan 4.420 nan 0.000 0.219 32 P C 1.018 178.241 177.300 -0.127 0.000 1.150 32 P CA 0.894 63.843 63.100 -0.252 0.000 0.814 32 P CB -0.229 31.341 31.700 -0.216 0.000 0.787 33 N N -0.658 117.962 118.700 -0.133 0.000 2.573 33 N HA -0.144 4.596 4.740 -0.001 0.000 0.187 33 N C 1.039 176.638 175.510 0.148 0.000 1.107 33 N CA 0.888 53.936 53.050 -0.004 0.000 0.918 33 N CB -1.381 37.100 38.487 -0.011 0.000 0.966 33 N HN 0.084 nan 8.380 nan 0.000 0.448 34 F N 0.598 120.427 119.950 -0.202 0.000 2.748 34 F HA 0.286 4.812 4.527 -0.001 0.000 0.299 34 F C 2.081 177.778 175.800 -0.172 0.000 1.154 34 F CA 0.050 57.917 58.000 -0.221 0.000 1.446 34 F CB -0.789 38.059 39.000 -0.255 0.000 1.112 34 F HN 0.355 nan 8.300 nan 0.000 0.584 35 G N 0.299 109.140 108.800 0.068 0.000 2.484 35 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.225 35 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.225 35 G C 0.653 175.587 174.900 0.057 0.000 1.250 35 G CA -0.095 45.026 45.100 0.035 0.000 0.926 35 G HN 0.072 nan 8.290 nan 0.000 0.581 36 E N 0.792 121.016 120.200 0.040 0.000 2.511 36 E HA 0.043 4.393 4.350 -0.001 0.000 0.196 36 E C 2.541 179.176 176.600 0.057 0.000 1.066 36 E CA 0.934 57.373 56.400 0.066 0.000 0.871 36 E CB -0.216 29.507 29.700 0.038 0.000 0.863 36 E HN 0.729 nan 8.360 nan 0.000 0.520 37 I N -1.521 119.044 120.570 -0.009 0.000 2.493 37 I HA -0.114 4.056 4.170 -0.001 0.000 0.254 37 I C 1.140 177.356 176.117 0.165 0.000 1.160 37 I CA 0.111 61.382 61.300 -0.048 0.000 1.445 37 I CB -0.406 37.337 38.000 -0.427 0.000 1.086 37 I HN -0.051 nan 8.210 nan 0.000 0.433 38 L N 3.513 124.866 121.223 0.217 0.000 2.565 38 L HA 0.264 4.603 4.340 -0.001 0.000 0.275 38 L C -0.261 176.818 176.870 0.348 0.000 1.137 38 L CA 0.316 55.351 54.840 0.325 0.000 0.915 38 L CB -0.111 42.081 42.059 0.222 0.000 1.232 38 L HN 0.144 nan 8.230 nan 0.000 0.473 39 L N 6.967 128.382 121.223 0.321 0.000 2.326 39 L HA 0.464 4.803 4.340 -0.001 0.000 0.278 39 L C -0.444 176.643 176.870 0.361 0.000 1.092 39 L CA -0.350 54.643 54.840 0.256 0.000 0.810 39 L CB 0.637 42.807 42.059 0.185 0.000 1.153 39 L HN 0.728 nan 8.230 nan 0.000 0.439 40 W N 3.407 124.741 121.300 0.057 0.000 3.248 40 W HA 0.571 5.231 4.660 -0.001 0.000 0.311 40 W C -1.633 174.873 176.519 -0.021 0.000 1.258 40 W CA -1.180 56.194 57.345 0.049 0.000 1.191 40 W CB 1.051 30.576 29.460 0.109 0.000 1.389 40 W HN 0.679 nan 8.180 nan 0.000 0.561 41 D N -0.120 120.270 120.400 -0.017 0.000 10.460 41 D HA -0.217 4.423 4.640 -0.001 0.000 0.328 41 D C -0.613 175.242 176.300 -0.741 0.000 3.160 41 D CA 0.056 53.654 54.000 -0.670 0.000 2.703 41 D CB -0.737 39.595 40.800 -0.779 0.000 1.287 41 D HN 0.378 nan 8.370 nan 0.000 0.958 42 I N 0.627 120.479 120.570 -1.197 0.000 2.361 42 I HA -0.076 4.093 4.170 -0.001 0.000 0.251 42 I C 1.437 177.372 176.117 -0.303 0.000 1.133 42 I CA 1.598 62.542 61.300 -0.593 0.000 1.413 42 I CB -0.650 37.077 38.000 -0.455 0.000 1.073 42 I HN 0.449 nan 8.210 nan 0.000 0.424 43 D N 0.541 120.764 120.400 -0.296 0.000 2.117 43 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 43 D C 2.065 178.318 176.300 -0.079 0.000 0.982 43 D CA 1.037 54.943 54.000 -0.157 0.000 0.828 43 D CB -0.147 40.559 40.800 -0.156 0.000 0.967 43 D HN 0.424 nan 8.370 nan 0.000 0.464 44 E N 0.476 120.607 120.200 -0.115 0.000 2.106 44 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 44 E C 2.511 179.133 176.600 0.036 0.000 0.984 44 E CA 0.208 56.597 56.400 -0.019 0.000 0.806 44 E CB -0.193 29.481 29.700 -0.043 0.000 0.750 44 E HN 0.352 nan 8.360 nan 0.000 0.458 45 L N 0.424 121.636 121.223 -0.019 0.000 2.046 45 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 45 L C 2.563 179.515 176.870 0.138 0.000 1.077 45 L CA 0.906 55.763 54.840 0.028 0.000 0.747 45 L CB -0.323 41.735 42.059 -0.002 0.000 0.896 45 L HN 0.104 nan 8.230 nan 0.000 0.432 46 L N -0.751 120.539 121.223 0.112 0.000 2.291 46 L HA -0.114 4.225 4.340 -0.001 0.000 0.214 46 L C 2.249 179.271 176.870 0.254 0.000 1.120 46 L CA 1.393 56.348 54.840 0.191 0.000 0.799 46 L CB -0.447 41.684 42.059 0.120 0.000 0.925 46 L HN 0.418 nan 8.230 nan 0.000 0.446 47 T N -4.798 109.898 114.554 0.237 0.000 3.086 47 T HA -0.009 4.341 4.350 -0.001 0.000 0.250 47 T C 0.543 175.469 174.700 0.376 0.000 1.074 47 T CA -0.424 61.859 62.100 0.306 0.000 0.988 47 T CB -0.371 68.649 68.868 0.253 0.000 0.988 47 T HN 0.029 nan 8.240 nan 0.000 0.530 48 Y N 4.541 124.953 120.300 0.187 0.000 2.987 48 Y HA -0.072 4.478 4.550 -0.001 0.000 0.339 48 Y C 1.602 177.638 175.900 0.227 0.000 1.272 48 Y CA -0.200 57.997 58.100 0.163 0.000 1.562 48 Y CB 0.278 38.775 38.460 0.062 0.000 1.253 48 Y HN 0.563 nan 8.280 nan 0.000 0.604 49 H N 2.791 121.966 119.070 0.174 0.000 2.457 49 H HA -0.185 4.370 4.556 -0.001 0.000 0.297 49 H C 1.163 176.531 175.328 0.066 0.000 1.092 49 H CA 2.096 58.227 56.048 0.140 0.000 1.309 49 H CB -0.676 29.185 29.762 0.165 0.000 1.382 49 H HN 0.672 nan 8.280 nan 0.000 0.535 50 Y N 0.809 120.582 120.300 -0.879 0.000 2.224 50 Y HA -0.092 4.457 4.550 -0.001 0.000 0.289 50 Y C 2.349 178.183 175.900 -0.110 0.000 1.146 50 Y CA 1.136 58.954 58.100 -0.469 0.000 1.182 50 Y CB -0.321 37.786 38.460 -0.587 0.000 0.983 50 Y HN 0.268 nan 8.280 nan 0.000 0.524 51 L N -1.684 119.624 121.223 0.143 0.000 2.341 51 L HA -0.086 4.253 4.340 -0.001 0.000 0.214 51 L C 2.129 179.056 176.870 0.095 0.000 1.115 51 L CA 0.123 55.067 54.840 0.173 0.000 0.820 51 L CB -0.475 41.745 42.059 0.268 0.000 0.944 51 L HN 0.014 nan 8.230 nan 0.000 0.452 52 V N 0.446 120.402 119.914 0.070 0.000 2.343 52 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 52 V C 2.821 178.830 176.094 -0.143 0.000 1.051 52 V CA 1.914 64.142 62.300 -0.120 0.000 1.036 52 V CB -0.960 30.829 31.823 -0.055 0.000 0.654 52 V HN 0.481 nan 8.190 nan 0.000 0.451 53 A N -0.164 122.648 122.820 -0.014 0.000 1.877 53 A HA -0.263 4.057 4.320 -0.001 0.000 0.216 53 A C 2.192 179.752 177.584 -0.040 0.000 1.186 53 A CA 2.049 54.074 52.037 -0.020 0.000 0.620 53 A CB -0.504 18.523 19.000 0.045 0.000 0.822 53 A HN 0.636 nan 8.150 nan 0.000 0.443 54 E N -0.676 119.527 120.200 0.005 0.000 2.106 54 E HA 0.005 4.354 4.350 -0.001 0.000 0.192 54 E C 1.022 177.656 176.600 0.056 0.000 0.984 54 E CA 0.541 56.957 56.400 0.026 0.000 0.806 54 E CB -0.254 29.493 29.700 0.079 0.000 0.750 54 E HN 0.379 nan 8.360 nan 0.000 0.458 58 W N 0.546 121.812 121.300 -0.056 0.000 3.471 58 W HA 0.231 4.891 4.660 -0.001 0.000 0.230 58 W C 1.060 177.557 176.519 -0.036 0.000 1.105 58 W CA 0.182 57.501 57.345 -0.043 0.000 1.631 58 W CB 0.536 29.972 29.460 -0.040 0.000 0.848 58 W HN -0.220 nan 8.180 nan 0.000 0.766 59 T N 0.914 115.588 114.554 0.200 0.000 2.899 59 T HA 0.015 4.365 4.350 -0.001 0.000 0.295 59 T C 0.781 175.522 174.700 0.068 0.000 1.033 59 T CA 0.004 62.174 62.100 0.116 0.000 1.084 59 T CB 0.865 69.774 68.868 0.069 0.000 0.979 59 T HN -0.065 nan 8.240 nan 0.000 0.532 60 D N 1.977 122.414 120.400 0.063 0.000 2.317 60 D HA 0.039 4.679 4.640 -0.001 0.000 0.211 60 D C 0.729 177.052 176.300 0.038 0.000 0.966 60 D CA 0.402 54.429 54.000 0.045 0.000 0.876 60 D CB -0.032 40.795 40.800 0.045 0.000 0.927 60 D HN 0.286 nan 8.370 nan 0.000 0.519 61 V N 2.385 122.325 119.914 0.044 0.000 2.655 61 V HA 0.004 4.124 4.120 -0.001 0.000 0.300 61 V C 0.973 177.085 176.094 0.030 0.000 1.044 61 V CA -0.409 61.921 62.300 0.050 0.000 1.095 61 V CB 0.989 32.862 31.823 0.083 0.000 0.952 61 V HN 0.147 nan 8.190 nan 0.000 0.485 62 S N 4.633 120.358 115.700 0.041 0.000 2.593 62 S HA 0.224 4.694 4.470 -0.001 0.000 0.269 62 S C 0.949 175.567 174.600 0.029 0.000 1.334 62 S CA -0.511 57.710 58.200 0.036 0.000 1.015 62 S CB 0.901 64.133 63.200 0.053 0.000 0.912 62 S HN 0.592 nan 8.310 nan 0.000 0.541 63 I N 1.053 121.627 120.570 0.006 0.000 2.361 63 I HA -0.069 4.100 4.170 -0.001 0.000 0.251 63 I C 1.959 178.117 176.117 0.069 0.000 1.133 63 I CA 1.518 62.788 61.300 -0.049 0.000 1.413 63 I CB -0.815 37.170 38.000 -0.025 0.000 1.073 63 I HN 0.774 nan 8.210 nan 0.000 0.424 64 E N 0.668 120.961 120.200 0.154 0.000 2.047 64 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 64 E C 2.305 179.010 176.600 0.175 0.000 0.987 64 E CA 1.498 58.027 56.400 0.214 0.000 0.799 64 E CB -0.676 29.116 29.700 0.154 0.000 0.752 64 E HN 0.532 nan 8.360 nan 0.000 0.449 65 A N 0.318 123.209 122.820 0.118 0.000 1.940 65 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 65 A C 2.130 179.769 177.584 0.091 0.000 1.176 65 A CA 1.421 53.514 52.037 0.094 0.000 0.631 65 A CB -0.847 18.199 19.000 0.077 0.000 0.814 65 A HN 0.355 nan 8.150 nan 0.000 0.446 66 F N -0.947 118.949 119.950 -0.089 0.000 2.102 66 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 66 F C 1.986 177.708 175.800 -0.130 0.000 1.105 66 F CA 1.668 59.554 58.000 -0.189 0.000 1.239 66 F CB -0.429 38.335 39.000 -0.395 0.000 0.991 66 F HN 0.399 nan 8.300 nan 0.000 0.474 67 W N 0.857 122.217 121.300 0.101 0.000 2.465 67 W HA 0.121 4.781 4.660 -0.001 0.000 0.268 67 W C 1.740 178.215 176.519 -0.072 0.000 1.242 67 W CA 0.181 57.517 57.345 -0.015 0.000 1.248 67 W CB -0.707 28.807 29.460 0.091 0.000 1.118 67 W HN 0.073 nan 8.180 nan 0.000 0.587 71 K N 1.384 121.745 120.400 -0.064 0.000 2.074 71 K HA -0.054 4.265 4.320 -0.001 0.000 0.209 71 K C 2.141 178.704 176.600 -0.060 0.000 1.048 71 K CA 2.213 58.466 56.287 -0.057 0.000 0.926 71 K CB -0.388 32.089 32.500 -0.038 0.000 0.713 71 K HN 0.629 nan 8.250 nan 0.000 0.444 72 R N 0.406 120.869 120.500 -0.061 0.000 2.092 72 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 72 R C 1.905 178.178 176.300 -0.045 0.000 1.119 72 R CA 1.825 57.890 56.100 -0.059 0.000 0.970 72 R CB -0.092 30.172 30.300 -0.060 0.000 0.864 72 R HN 0.345 nan 8.270 nan 0.000 0.440 73 E N -0.058 120.112 120.200 -0.050 0.000 2.072 73 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 73 E C 2.144 178.732 176.600 -0.021 0.000 0.985 73 E CA 1.410 57.789 56.400 -0.034 0.000 0.801 73 E CB 0.051 29.723 29.700 -0.046 0.000 0.750 73 E HN 0.467 nan 8.360 nan 0.000 0.452 74 Q N 0.306 120.054 119.800 -0.087 0.000 2.050 74 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 74 Q C 2.322 178.405 176.000 0.140 0.000 0.980 74 Q CA 1.409 57.178 55.803 -0.057 0.000 0.840 74 Q CB -0.246 28.298 28.738 -0.323 0.000 0.898 74 Q HN 0.252 nan 8.270 nan 0.000 0.424 75 A N 1.617 124.482 122.820 0.076 0.000 1.892 75 A HA -0.270 4.049 4.320 -0.001 0.000 0.218 75 A C 1.676 179.327 177.584 0.111 0.000 1.188 75 A CA 2.035 54.124 52.037 0.087 0.000 0.631 75 A CB -0.620 18.378 19.000 -0.004 0.000 0.822 75 A HN 0.278 nan 8.150 nan 0.000 0.447 76 D N -0.657 119.786 120.400 0.071 0.000 2.117 76 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 76 D C 1.855 178.261 176.300 0.177 0.000 0.987 76 D CA 1.268 55.327 54.000 0.098 0.000 0.829 76 D CB -0.397 40.430 40.800 0.045 0.000 0.961 76 D HN 0.356 nan 8.370 nan 0.000 0.460 77 L N 0.807 122.128 121.223 0.163 0.000 2.017 77 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 77 L C 2.185 179.181 176.870 0.210 0.000 1.073 77 L CA 1.342 56.288 54.840 0.178 0.000 0.745 77 L CB -0.496 41.684 42.059 0.201 0.000 0.894 77 L HN -0.033 nan 8.230 nan 0.000 0.432 78 I N -1.638 119.086 120.570 0.257 0.000 2.226 78 I HA -0.350 3.820 4.170 -0.001 0.000 0.245 78 I C 2.382 178.716 176.117 0.361 0.000 1.100 78 I CA 1.628 63.099 61.300 0.285 0.000 1.374 78 I CB -0.544 37.640 38.000 0.307 0.000 1.057 78 I HN 0.563 nan 8.210 nan 0.000 0.413 79 W N 2.041 123.399 121.300 0.096 0.000 2.335 79 W HA -0.291 4.368 4.660 -0.001 0.000 0.311 79 W C 2.469 179.064 176.519 0.127 0.000 1.213 79 W CA 2.149 59.501 57.345 0.011 0.000 1.274 79 W CB -0.109 29.280 29.460 -0.119 0.000 1.148 79 W HN 0.163 nan 8.180 nan 0.000 0.498 80 E N 0.588 120.918 120.200 0.217 0.000 2.051 80 E HA -0.229 4.121 4.350 -0.001 0.000 0.192 80 E C 1.989 178.583 176.600 -0.010 0.000 0.991 80 E CA 1.979 58.426 56.400 0.077 0.000 0.799 80 E CB -0.444 29.319 29.700 0.105 0.000 0.748 80 E HN 0.173 nan 8.360 nan 0.000 0.449 81 E N -0.330 119.888 120.200 0.031 0.000 2.112 81 E HA -0.029 4.320 4.350 -0.001 0.000 0.190 81 E C 2.069 178.571 176.600 -0.163 0.000 0.979 81 E CA 0.685 57.048 56.400 -0.061 0.000 0.814 81 E CB 0.105 29.824 29.700 0.031 0.000 0.762 81 E HN 0.372 nan 8.360 nan 0.000 0.460 82 L N -1.017 120.198 121.223 -0.014 0.000 2.556 82 L HA 0.143 4.482 4.340 -0.001 0.000 0.226 82 L C 1.415 178.080 176.870 -0.341 0.000 1.089 82 L CA 0.193 54.961 54.840 -0.120 0.000 0.864 82 L CB 0.150 42.217 42.059 0.012 0.000 1.067 82 L HN 0.013 nan 8.230 nan 0.000 0.477 83 F N -1.400 118.328 119.950 -0.369 0.000 2.667 83 F HA 0.183 4.710 4.527 -0.001 0.000 0.288 83 F C 1.963 177.472 175.800 -0.486 0.000 1.086 83 F CA 0.032 57.715 58.000 -0.528 0.000 1.297 83 F CB 0.188 38.562 39.000 -1.043 0.000 1.059 83 F HN -0.199 nan 8.300 nan 0.000 0.624 84 I N 0.246 120.662 120.570 -0.255 0.000 2.512 84 I HA -0.015 4.155 4.170 -0.001 0.000 0.247 84 I C 1.809 177.822 176.117 -0.174 0.000 1.094 84 I CA 1.109 62.292 61.300 -0.196 0.000 1.427 84 I CB -1.114 36.802 38.000 -0.140 0.000 1.149 84 I HN 0.050 nan 8.210 nan 0.000 0.438 85 K N 0.484 120.762 120.400 -0.203 0.000 2.296 85 K HA 0.015 4.335 4.320 -0.001 0.000 0.200 85 K C 0.171 176.569 176.600 -0.338 0.000 1.048 85 K CA 0.554 56.696 56.287 -0.242 0.000 0.966 85 K CB 0.246 32.591 32.500 -0.258 0.000 0.754 85 K HN 0.155 nan 8.250 nan 0.000 0.466 86 R N -0.545 119.728 120.500 -0.378 0.000 2.771 86 R HA 0.275 4.615 4.340 -0.001 0.000 0.274 86 R C -1.027 175.107 176.300 -0.276 0.000 0.987 86 R CA -0.510 55.369 56.100 -0.367 0.000 0.908 86 R CB 1.939 31.912 30.300 -0.544 0.000 1.213 86 R HN -0.149 nan 8.270 nan 0.000 0.468 87 S N 3.215 118.791 115.700 -0.206 0.000 2.562 87 S HA 0.179 4.648 4.470 -0.001 0.000 0.281 87 S C -1.954 172.498 174.600 -0.246 0.000 1.333 87 S CA -0.647 57.441 58.200 -0.187 0.000 1.052 87 S CB 0.581 63.708 63.200 -0.121 0.000 0.884 87 S HN 0.443 nan 8.310 nan 0.000 0.506 88 P HA 0.136 nan 4.420 nan 0.000 0.220 88 P C 0.693 177.818 177.300 -0.291 0.000 1.806 88 P CA -0.232 62.567 63.100 -0.501 0.000 0.976 88 P CB -0.407 30.783 31.700 -0.850 0.000 1.952 89 V N -1.048 118.757 119.914 -0.182 0.000 3.406 89 V HA 0.023 4.143 4.120 -0.001 0.000 0.263 89 V C 1.146 177.197 176.094 -0.073 0.000 1.172 89 V CA 0.370 62.608 62.300 -0.103 0.000 1.140 89 V CB -1.279 30.504 31.823 -0.065 0.000 0.784 89 V HN 0.359 nan 8.190 nan 0.000 0.467 90 S N 0.582 116.236 115.700 -0.078 0.000 2.579 90 S HA 0.114 4.584 4.470 -0.001 0.000 0.275 90 S C 1.077 175.673 174.600 -0.006 0.000 1.345 90 S CA 0.591 58.777 58.200 -0.023 0.000 1.031 90 S CB 1.361 64.559 63.200 -0.003 0.000 0.892 90 S HN 0.494 nan 8.310 nan 0.000 0.529 91 E N 2.442 122.677 120.200 0.058 0.000 2.085 91 E HA -0.118 4.231 4.350 -0.001 0.000 0.194 91 E C 2.055 178.713 176.600 0.096 0.000 0.994 91 E CA 1.954 58.419 56.400 0.109 0.000 0.801 91 E CB -0.942 28.869 29.700 0.185 0.000 0.743 91 E HN 0.832 nan 8.360 nan 0.000 0.453 92 A N -0.221 122.682 122.820 0.139 0.000 1.902 92 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 92 A C 2.593 180.183 177.584 0.010 0.000 1.181 92 A CA 1.500 53.619 52.037 0.136 0.000 0.623 92 A CB -0.980 18.192 19.000 0.287 0.000 0.818 92 A HN 0.503 nan 8.150 nan 0.000 0.443 93 C N -1.219 118.062 119.300 -0.031 0.000 2.453 93 C HA -0.027 4.433 4.460 -0.001 0.000 0.277 93 C C 2.798 177.755 174.990 -0.055 0.000 1.262 93 C CA 1.035 59.968 59.018 -0.142 0.000 1.718 93 C CB -1.165 26.224 27.740 -0.584 0.000 2.031 93 C HN 0.712 nan 8.230 nan 0.000 0.480 94 R N 1.121 121.573 120.500 -0.079 0.000 2.103 94 R HA -0.131 4.209 4.340 -0.001 0.000 0.242 94 R C 2.256 178.552 176.300 -0.007 0.000 1.142 94 R CA 2.105 58.201 56.100 -0.007 0.000 0.960 94 R CB -0.862 29.434 30.300 -0.007 0.000 0.858 94 R HN 0.564 nan 8.270 nan 0.000 0.439 95 G N 0.486 109.116 108.800 -0.283 0.000 2.513 95 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 95 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 95 G C 1.471 176.048 174.900 -0.539 0.000 1.160 95 G CA 1.200 45.594 45.100 -1.175 0.000 0.767 95 G HN 0.262 nan 8.290 nan 0.000 0.571 96 V N 1.054 120.862 119.914 -0.176 0.000 2.332 96 V HA -0.172 3.948 4.120 -0.001 0.000 0.248 96 V C 2.934 179.089 176.094 0.100 0.000 1.055 96 V CA 1.696 64.041 62.300 0.076 0.000 1.038 96 V CB -0.509 31.485 31.823 0.286 0.000 0.651 96 V HN 0.366 nan 8.190 nan 0.000 0.450 97 L N -0.464 120.853 121.223 0.156 0.000 2.056 97 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 97 L C 2.663 179.567 176.870 0.058 0.000 1.078 97 L CA 1.932 56.852 54.840 0.133 0.000 0.749 97 L CB -1.172 40.988 42.059 0.168 0.000 0.901 97 L HN 0.333 nan 8.230 nan 0.000 0.433 98 T N -0.768 113.831 114.554 0.075 0.000 2.720 98 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 98 T C 2.070 176.788 174.700 0.031 0.000 1.037 98 T CA 1.662 63.804 62.100 0.070 0.000 1.144 98 T CB -0.411 68.579 68.868 0.202 0.000 0.864 98 T HN 0.393 nan 8.240 nan 0.000 0.444 99 C N 0.845 120.181 119.300 0.060 0.000 2.432 99 C HA 0.021 4.481 4.460 -0.001 0.000 0.277 99 C C 2.706 177.691 174.990 -0.007 0.000 1.249 99 C CA 0.393 59.449 59.018 0.064 0.000 1.725 99 C CB -1.429 26.382 27.740 0.118 0.000 2.028 99 C HN 0.514 nan 8.230 nan 0.000 0.477 100 L N 0.323 121.514 121.223 -0.053 0.000 1.994 100 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 100 L C 2.807 179.573 176.870 -0.174 0.000 1.071 100 L CA 1.899 56.631 54.840 -0.180 0.000 0.745 100 L CB -0.893 40.964 42.059 -0.338 0.000 0.892 100 L HN 0.460 nan 8.230 nan 0.000 0.431 101 Q N 0.088 119.823 119.800 -0.107 0.000 2.061 101 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 101 Q C 2.141 178.091 176.000 -0.084 0.000 0.984 101 Q CA 1.918 57.672 55.803 -0.082 0.000 0.846 101 Q CB -0.338 28.369 28.738 -0.051 0.000 0.902 101 Q HN 0.533 nan 8.270 nan 0.000 0.421 102 G N 0.788 109.544 108.800 -0.073 0.000 2.450 102 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.220 102 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.220 102 G C 1.203 176.060 174.900 -0.072 0.000 1.130 102 G CA 0.664 45.729 45.100 -0.058 0.000 0.760 102 G HN 0.351 nan 8.290 nan 0.000 0.557 103 L N 0.351 121.495 121.223 -0.132 0.000 2.599 103 L HA 0.279 4.618 4.340 -0.001 0.000 0.230 103 L C 2.037 178.768 176.870 -0.231 0.000 1.141 103 L CA 0.441 55.144 54.840 -0.229 0.000 0.877 103 L CB 0.059 41.827 42.059 -0.486 0.000 1.009 103 L HN 0.353 nan 8.230 nan 0.000 0.447 104 G N -0.022 108.691 108.800 -0.144 0.000 2.176 104 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.253 104 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.253 104 G C 0.217 175.058 174.900 -0.098 0.000 0.979 104 G CA -0.183 44.864 45.100 -0.088 0.000 0.641 104 G HN 0.220 nan 8.290 nan 0.000 0.530 105 L N 0.471 121.586 121.223 -0.179 0.000 2.421 105 L HA 0.575 4.915 4.340 -0.001 0.000 0.263 105 L C 0.068 176.887 176.870 -0.085 0.000 1.122 105 L CA -0.731 54.027 54.840 -0.137 0.000 0.804 105 L CB 0.961 42.848 42.059 -0.287 0.000 1.150 105 L HN 0.096 nan 8.230 nan 0.000 0.457 106 D N 1.790 122.220 120.400 0.049 0.000 2.460 106 D HA 0.273 4.912 4.640 -0.001 0.000 0.232 106 D C -1.897 174.507 176.300 0.173 0.000 1.079 106 D CA -2.094 51.960 54.000 0.089 0.000 0.864 106 D CB 1.747 42.615 40.800 0.113 0.000 1.048 106 D HN 0.103 nan 8.370 nan 0.000 0.523 107 P HA -0.083 nan 4.420 nan 0.000 0.221 107 P C 0.992 178.444 177.300 0.254 0.000 1.145 107 P CA 0.886 64.105 63.100 0.199 0.000 0.795 107 P CB 0.295 32.069 31.700 0.124 0.000 0.775 108 A N -0.263 122.662 122.820 0.174 0.000 1.972 108 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 108 A C 2.222 179.899 177.584 0.155 0.000 1.169 108 A CA 2.346 54.466 52.037 0.139 0.000 0.635 108 A CB -1.839 17.218 19.000 0.094 0.000 0.810 108 A HN 0.355 nan 8.150 nan 0.000 0.446 109 T N -3.576 111.090 114.554 0.187 0.000 3.023 109 T HA -0.025 4.324 4.350 -0.001 0.000 0.266 109 T C 0.932 175.729 174.700 0.161 0.000 1.093 109 T CA 0.658 62.843 62.100 0.142 0.000 1.129 109 T CB -0.415 68.516 68.868 0.105 0.000 0.899 109 T HN 0.602 nan 8.240 nan 0.000 0.491 110 R N 1.020 121.708 120.500 0.314 0.000 3.627 110 R HA -0.131 4.208 4.340 -0.001 0.000 0.281 110 R C -0.841 175.522 176.300 0.104 0.000 1.140 110 R CA 0.795 57.165 56.100 0.450 0.000 0.761 110 R CB -2.298 28.245 30.300 0.405 0.000 1.181 110 R HN 0.424 nan 8.270 nan 0.000 0.472 111 D N 0.999 121.186 120.400 -0.355 0.000 2.524 111 D HA 0.084 4.724 4.640 -0.001 0.000 0.222 111 D C 0.999 176.582 176.300 -1.194 0.000 1.142 111 D CA -0.305 53.344 54.000 -0.585 0.000 0.973 111 D CB 0.695 41.261 40.800 -0.390 0.000 1.025 111 D HN 0.087 nan 8.370 nan 0.000 0.519 112 L N 3.147 123.819 121.223 -0.919 0.000 2.127 112 L HA -0.182 4.157 4.340 -0.001 0.000 0.211 112 L C 1.862 178.428 176.870 -0.506 0.000 1.089 112 L CA 1.864 56.176 54.840 -0.880 0.000 0.757 112 L CB -0.227 41.240 42.059 -0.986 0.000 0.899 112 L HN 0.247 nan 8.230 nan 0.000 0.434 113 Q N -1.037 118.535 119.800 -0.379 0.000 2.050 113 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 113 Q C 2.253 178.162 176.000 -0.151 0.000 0.980 113 Q CA 2.036 57.714 55.803 -0.209 0.000 0.840 113 Q CB -0.505 28.142 28.738 -0.152 0.000 0.898 113 Q HN 0.427 nan 8.270 nan 0.000 0.424 114 V N -0.034 119.750 119.914 -0.218 0.000 2.343 114 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 114 V C 1.734 177.872 176.094 0.073 0.000 1.051 114 V CA 1.661 63.908 62.300 -0.088 0.000 1.036 114 V CB -0.719 31.043 31.823 -0.102 0.000 0.654 114 V HN 0.351 nan 8.190 nan 0.000 0.451 115 Y N 0.811 121.117 120.300 0.009 0.000 2.165 115 Y HA -0.190 4.359 4.550 -0.001 0.000 0.286 115 Y C 2.635 178.701 175.900 0.275 0.000 1.155 115 Y CA 1.076 59.232 58.100 0.093 0.000 1.164 115 Y CB -1.068 37.393 38.460 0.001 0.000 0.978 115 Y HN 0.174 nan 8.280 nan 0.000 0.513 116 R N 0.256 120.924 120.500 0.279 0.000 2.120 116 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 116 R C 2.065 178.533 176.300 0.280 0.000 1.123 116 R CA 1.480 57.728 56.100 0.247 0.000 0.975 116 R CB -0.268 30.056 30.300 0.040 0.000 0.866 116 R HN 0.489 nan 8.270 nan 0.000 0.446 117 E N -0.595 119.719 120.200 0.190 0.000 2.153 117 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 117 E C 1.512 178.204 176.600 0.154 0.000 0.988 117 E CA 1.039 57.519 56.400 0.133 0.000 0.811 117 E CB -0.112 29.634 29.700 0.077 0.000 0.746 117 E HN 0.396 nan 8.360 nan 0.000 0.466 118 Y N 0.244 120.580 120.300 0.060 0.000 2.181 118 Y HA -0.239 4.311 4.550 -0.001 0.000 0.288 118 Y C 1.616 177.451 175.900 -0.107 0.000 1.146 118 Y CA 1.609 59.647 58.100 -0.104 0.000 1.164 118 Y CB -0.214 38.058 38.460 -0.314 0.000 0.982 118 Y HN -0.055 nan 8.280 nan 0.000 0.515 119 F N -0.379 119.741 119.950 0.283 0.000 2.367 119 F HA 0.075 4.601 4.527 -0.001 0.000 0.298 119 F C 2.503 178.384 175.800 0.134 0.000 1.094 119 F CA 0.699 58.867 58.000 0.281 0.000 1.409 119 F CB -0.772 38.371 39.000 0.239 0.000 1.064 119 F HN 0.108 nan 8.300 nan 0.000 0.528 120 A N 0.399 123.344 122.820 0.209 0.000 2.070 120 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 120 A C 2.106 179.733 177.584 0.073 0.000 1.159 120 A CA 1.237 53.338 52.037 0.106 0.000 0.656 120 A CB -0.529 18.510 19.000 0.065 0.000 0.800 120 A HN 0.336 nan 8.150 nan 0.000 0.453 121 K N -0.085 120.325 120.400 0.016 0.000 2.296 121 K HA 0.003 4.323 4.320 -0.001 0.000 0.200 121 K C 0.102 176.692 176.600 -0.017 0.000 1.048 121 K CA 0.662 56.928 56.287 -0.035 0.000 0.966 121 K CB 0.051 32.479 32.500 -0.121 0.000 0.754 121 K HN 0.436 nan 8.250 nan 0.000 0.466 122 K N 1.072 121.498 120.400 0.043 0.000 2.166 122 K HA 0.181 4.500 4.320 -0.001 0.000 0.245 122 K C 0.077 176.777 176.600 0.166 0.000 0.967 122 K CA -0.629 55.679 56.287 0.034 0.000 0.863 122 K CB 1.634 34.093 32.500 -0.068 0.000 1.107 122 K HN -0.052 nan 8.250 nan 0.000 0.436 123 T N -2.118 112.454 114.554 0.030 0.000 2.881 123 T HA 0.124 4.474 4.350 -0.001 0.000 0.278 123 T C 1.109 175.693 174.700 -0.194 0.000 0.982 123 T CA -0.716 61.408 62.100 0.040 0.000 0.989 123 T CB 1.344 70.209 68.868 -0.004 0.000 1.058 123 T HN 0.361 nan 8.240 nan 0.000 0.529 124 S N 0.356 115.974 115.700 -0.136 0.000 2.368 124 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 124 S C 1.967 176.333 174.600 -0.390 0.000 1.030 124 S CA 1.432 59.368 58.200 -0.439 0.000 0.999 124 S CB -0.502 62.640 63.200 -0.097 0.000 0.844 124 S HN 0.822 nan 8.310 nan 0.000 0.459 125 E N 1.158 121.233 120.200 -0.210 0.000 2.106 125 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 125 E C 2.071 178.573 176.600 -0.164 0.000 0.984 125 E CA 0.906 57.209 56.400 -0.162 0.000 0.806 125 E CB -0.114 29.523 29.700 -0.104 0.000 0.750 125 E HN 0.545 nan 8.360 nan 0.000 0.458 126 E N 0.088 120.183 120.200 -0.176 0.000 2.051 126 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 126 E C 2.053 178.533 176.600 -0.199 0.000 0.991 126 E CA 1.156 57.461 56.400 -0.159 0.000 0.799 126 E CB -0.030 29.585 29.700 -0.143 0.000 0.748 126 E HN 0.067 nan 8.360 nan 0.000 0.449 127 Q N 0.648 120.237 119.800 -0.350 0.000 2.167 127 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 127 Q C 2.001 177.868 176.000 -0.222 0.000 0.970 127 Q CA 0.980 56.570 55.803 -0.355 0.000 0.855 127 Q CB -0.051 28.214 28.738 -0.788 0.000 0.911 127 Q HN 0.098 nan 8.270 nan 0.000 0.438 128 V N 0.929 120.708 119.914 -0.224 0.000 2.295 128 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 128 V C 1.622 177.691 176.094 -0.042 0.000 1.049 128 V CA 2.114 64.366 62.300 -0.080 0.000 1.024 128 V CB -0.590 31.219 31.823 -0.025 0.000 0.648 128 V HN 0.400 nan 8.190 nan 0.000 0.447 129 D N -0.150 120.214 120.400 -0.060 0.000 2.104 129 D HA -0.149 4.490 4.640 -0.001 0.000 0.194 129 D C 2.290 178.570 176.300 -0.033 0.000 0.994 129 D CA 1.988 55.963 54.000 -0.042 0.000 0.830 129 D CB -0.470 40.302 40.800 -0.047 0.000 0.959 129 D HN 0.409 nan 8.370 nan 0.000 0.452 130 T N 0.318 114.850 114.554 -0.036 0.000 2.708 130 T HA -0.084 4.266 4.350 -0.001 0.000 0.266 130 T C 2.258 176.962 174.700 0.007 0.000 1.037 130 T CA 0.911 63.007 62.100 -0.007 0.000 1.146 130 T CB -0.391 68.485 68.868 0.014 0.000 0.865 130 T HN -0.031 nan 8.240 nan 0.000 0.435 131 V N 1.513 121.432 119.914 0.010 0.000 2.358 131 V HA -0.069 4.051 4.120 -0.001 0.000 0.246 131 V C 2.519 178.617 176.094 0.006 0.000 1.047 131 V CA 1.326 63.642 62.300 0.028 0.000 1.035 131 V CB -0.699 31.154 31.823 0.050 0.000 0.658 131 V HN 0.420 nan 8.190 nan 0.000 0.452 132 L N -0.435 120.778 121.223 -0.017 0.000 2.083 132 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 132 L C 2.644 179.487 176.870 -0.045 0.000 1.083 132 L CA 1.654 56.464 54.840 -0.050 0.000 0.752 132 L CB -0.517 41.496 42.059 -0.076 0.000 0.899 132 L HN 0.366 nan 8.230 nan 0.000 0.433 133 Q N 0.455 120.238 119.800 -0.028 0.000 2.046 133 Q HA -0.159 4.180 4.340 -0.001 0.000 0.200 133 Q C 2.189 178.180 176.000 -0.016 0.000 0.975 133 Q CA 1.661 57.450 55.803 -0.024 0.000 0.836 133 Q CB -0.249 28.480 28.738 -0.016 0.000 0.896 133 Q HN 0.430 nan 8.270 nan 0.000 0.428 134 L N -0.499 120.723 121.223 -0.002 0.000 2.083 134 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 134 L C 2.093 178.975 176.870 0.020 0.000 1.083 134 L CA 1.092 55.938 54.840 0.010 0.000 0.752 134 L CB -0.520 41.550 42.059 0.018 0.000 0.899 134 L HN 0.254 nan 8.230 nan 0.000 0.433 135 A N -1.116 121.715 122.820 0.018 0.000 2.218 135 A HA -0.047 4.273 4.320 -0.001 0.000 0.209 135 A C 0.928 178.483 177.584 -0.050 0.000 1.168 135 A CA 0.209 52.267 52.037 0.035 0.000 0.804 135 A CB -0.324 18.723 19.000 0.079 0.000 0.834 135 A HN 0.537 nan 8.150 nan 0.000 0.482 136 N N -0.803 117.854 118.700 -0.071 0.000 2.714 136 N HA -0.140 4.600 4.740 -0.001 0.000 0.253 136 N C -0.939 174.450 175.510 -0.200 0.000 1.024 136 N CA 0.922 53.903 53.050 -0.116 0.000 0.726 136 N CB -1.580 36.839 38.487 -0.114 0.000 0.908 136 N HN 0.158 nan 8.380 nan 0.000 0.542 137 V N 1.271 121.070 119.914 -0.193 0.000 2.357 137 V HA 0.301 4.421 4.120 -0.001 0.000 0.284 137 V C 1.442 177.435 176.094 -0.167 0.000 1.018 137 V CA 0.156 62.303 62.300 -0.255 0.000 0.841 137 V CB 1.524 33.191 31.823 -0.260 0.000 0.991 137 V HN 0.511 nan 8.190 nan 0.000 0.437 138 S N 2.696 118.321 115.700 -0.124 0.000 2.421 138 S HA 0.131 4.601 4.470 -0.001 0.000 0.224 138 S C 0.212 174.796 174.600 -0.027 0.000 1.035 138 S CA 0.103 58.279 58.200 -0.039 0.000 0.953 138 S CB 0.098 63.308 63.200 0.017 0.000 0.810 138 S HN 0.742 nan 8.310 nan 0.000 0.497 139 D N 0.059 120.448 120.400 -0.017 0.000 2.896 139 D HA 0.642 5.282 4.640 -0.001 0.000 0.241 139 D C -1.696 174.583 176.300 -0.036 0.000 1.188 139 D CA -0.468 53.588 54.000 0.094 0.000 0.879 139 D CB 2.480 43.532 40.800 0.421 0.000 1.553 139 D HN 0.043 nan 8.370 nan 0.000 0.515 140 V N 2.287 122.116 119.914 -0.141 0.000 2.540 140 V HA 0.494 4.613 4.120 -0.001 0.000 0.302 140 V C 0.091 176.177 176.094 -0.013 0.000 1.035 140 V CA -0.672 61.504 62.300 -0.207 0.000 0.873 140 V CB 1.707 33.200 31.823 -0.549 0.000 0.992 140 V HN 0.372 nan 8.190 nan 0.000 0.428 144 N N 2.277 121.044 118.700 0.112 0.000 2.444 144 N HA 0.449 5.189 4.740 -0.001 0.000 0.262 144 N C -1.252 174.327 175.510 0.115 0.000 0.974 144 N CA -0.805 52.403 53.050 0.263 0.000 0.933 144 N CB 1.144 39.816 38.487 0.309 0.000 1.137 144 N HN 0.407 nan 8.380 nan 0.000 0.498 145 D N 2.723 123.236 120.400 0.189 0.000 2.412 145 D HA 0.188 4.828 4.640 -0.001 0.000 0.224 145 D C -1.793 174.476 176.300 -0.052 0.000 1.093 145 D CA -2.434 51.647 54.000 0.136 0.000 0.850 145 D CB 1.294 42.244 40.800 0.251 0.000 1.046 145 D HN 0.312 nan 8.370 nan 0.000 0.507 146 P HA -0.005 nan 4.420 nan 0.000 0.242 146 P C 0.651 177.571 177.300 -0.634 0.000 1.197 146 P CA 0.318 62.840 63.100 -0.963 0.000 0.765 146 P CB -0.111 30.331 31.700 -2.097 0.000 0.936 147 F N -0.607 119.356 119.950 0.022 0.000 2.749 147 F HA 0.194 4.720 4.527 -0.001 0.000 0.300 147 F C 1.076 176.995 175.800 0.199 0.000 1.103 147 F CA -0.224 57.922 58.000 0.242 0.000 1.342 147 F CB -0.115 39.020 39.000 0.226 0.000 1.098 147 F HN -0.153 nan 8.300 nan 0.000 0.586 148 D N 0.872 121.422 120.400 0.250 0.000 2.316 148 D HA 0.012 4.652 4.640 -0.001 0.000 0.245 148 D C 0.779 177.164 176.300 0.142 0.000 1.171 148 D CA 0.150 54.264 54.000 0.190 0.000 0.856 148 D CB 0.793 41.692 40.800 0.165 0.000 1.090 148 D HN 0.041 nan 8.370 nan 0.000 0.476 149 D N 2.872 123.363 120.400 0.152 0.000 2.149 149 D HA -0.190 4.450 4.640 -0.001 0.000 0.198 149 D C 1.428 177.765 176.300 0.062 0.000 0.990 149 D CA 0.828 54.904 54.000 0.127 0.000 0.839 149 D CB 0.209 41.089 40.800 0.133 0.000 0.948 149 D HN 0.436 nan 8.370 nan 0.000 0.460 150 N N 0.845 119.567 118.700 0.036 0.000 2.216 150 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 150 N C 1.545 177.013 175.510 -0.071 0.000 1.017 150 N CA 1.055 54.093 53.050 -0.019 0.000 0.861 150 N CB 0.079 38.550 38.487 -0.026 0.000 0.986 150 N HN 0.282 nan 8.380 nan 0.000 0.428 151 E N -0.050 120.124 120.200 -0.043 0.000 2.158 151 E HA -0.030 4.319 4.350 -0.001 0.000 0.191 151 E C 1.896 178.509 176.600 0.021 0.000 0.982 151 E CA 0.355 56.719 56.400 -0.060 0.000 0.823 151 E CB 0.049 29.789 29.700 0.067 0.000 0.766 151 E HN 0.239 nan 8.360 nan 0.000 0.468 152 R N 0.331 120.874 120.500 0.072 0.000 2.105 152 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 152 R C 2.351 178.705 176.300 0.090 0.000 1.135 152 R CA 1.599 57.782 56.100 0.138 0.000 0.967 152 R CB -0.412 29.933 30.300 0.076 0.000 0.861 152 R HN 0.304 nan 8.270 nan 0.000 0.442 153 I N 0.551 121.107 120.570 -0.024 0.000 2.113 153 I HA -0.398 3.771 4.170 -0.001 0.000 0.242 153 I C 2.700 178.713 176.117 -0.173 0.000 1.064 153 I CA 1.962 63.214 61.300 -0.080 0.000 1.320 153 I CB -0.515 37.423 38.000 -0.102 0.000 1.028 153 I HN 0.269 nan 8.210 nan 0.000 0.406 154 S N -0.036 115.439 115.700 -0.376 0.000 2.368 154 S HA -0.233 4.236 4.470 -0.001 0.000 0.225 154 S C 1.817 176.098 174.600 -0.532 0.000 1.030 154 S CA 1.090 58.898 58.200 -0.652 0.000 0.999 154 S CB -1.038 61.312 63.200 -1.417 0.000 0.844 154 S HN 0.553 nan 8.310 nan 0.000 0.459 155 W N 1.449 122.607 121.300 -0.237 0.000 2.381 155 W HA 0.239 4.899 4.660 -0.001 0.000 0.301 155 W C 2.383 178.841 176.519 -0.101 0.000 1.205 155 W CA 0.156 57.450 57.345 -0.085 0.000 1.285 155 W CB -0.375 29.180 29.460 0.158 0.000 1.133 155 W HN 0.239 nan 8.180 nan 0.000 0.521 156 L N 0.151 121.450 121.223 0.125 0.000 2.093 156 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 156 L C 1.930 178.778 176.870 -0.037 0.000 1.085 156 L CA 1.309 56.150 54.840 0.001 0.000 0.755 156 L CB -0.762 41.294 42.059 -0.004 0.000 0.904 156 L HN 0.060 nan 8.230 nan 0.000 0.435 157 E N 0.032 120.196 120.200 -0.060 0.000 2.511 157 E HA -0.025 4.324 4.350 -0.001 0.000 0.196 157 E C 1.309 177.868 176.600 -0.069 0.000 1.066 157 E CA 0.515 56.871 56.400 -0.073 0.000 0.871 157 E CB 0.055 29.696 29.700 -0.098 0.000 0.863 157 E HN 0.591 nan 8.360 nan 0.000 0.520 158 G N 2.380 111.148 108.800 -0.053 0.000 2.143 158 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.248 158 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.248 158 G C 0.107 174.978 174.900 -0.048 0.000 0.991 158 G CA 0.107 45.192 45.100 -0.025 0.000 0.689 158 G HN 0.169 nan 8.290 nan 0.000 0.522 159 K N -0.097 120.221 120.400 -0.137 0.000 2.448 159 K HA 0.276 4.595 4.320 -0.001 0.000 0.278 159 K C 0.419 176.962 176.600 -0.094 0.000 1.009 159 K CA 0.132 56.331 56.287 -0.146 0.000 0.995 159 K CB 0.508 32.852 32.500 -0.261 0.000 0.917 159 K HN 0.240 nan 8.250 nan 0.000 0.481 160 Q N 4.224 124.025 119.800 0.002 0.000 2.290 160 Q HA 0.244 4.583 4.340 -0.001 0.000 0.259 160 Q C -2.407 173.629 176.000 0.058 0.000 0.941 160 Q CA -2.231 53.605 55.803 0.055 0.000 0.912 160 Q CB 1.164 29.929 28.738 0.045 0.000 1.244 160 Q HN 0.252 nan 8.270 nan 0.000 0.441 161 P HA -0.038 nan 4.420 nan 0.000 0.271 161 P C -0.393 176.847 177.300 -0.099 0.000 1.216 161 P CA -0.171 62.852 63.100 -0.128 0.000 0.776 161 P CB 0.571 32.204 31.700 -0.112 0.000 0.881 162 D N 2.097 122.394 120.400 -0.172 0.000 2.730 162 D HA -0.111 4.528 4.640 -0.001 0.000 0.225 162 D C 1.180 177.441 176.300 -0.065 0.000 1.107 162 D CA 0.688 54.632 54.000 -0.092 0.000 0.837 162 D CB 0.732 41.478 40.800 -0.091 0.000 1.171 162 D HN 0.372 nan 8.370 nan 0.000 0.498 163 S N 4.033 119.652 115.700 -0.135 0.000 2.500 163 S HA -0.148 4.322 4.470 -0.001 0.000 0.239 163 S C 1.601 175.938 174.600 -0.438 0.000 0.989 163 S CA 0.538 58.617 58.200 -0.202 0.000 0.951 163 S CB -0.008 63.153 63.200 -0.065 0.000 0.759 163 S HN 0.565 nan 8.310 nan 0.000 0.523 164 R N -0.405 119.811 120.500 -0.474 0.000 2.276 164 R HA 0.239 4.579 4.340 -0.001 0.000 0.203 164 R C -0.649 175.358 176.300 -0.488 0.000 1.017 164 R CA 0.398 56.205 56.100 -0.489 0.000 1.010 164 R CB -0.055 29.978 30.300 -0.445 0.000 0.900 164 R HN 0.413 nan 8.270 nan 0.000 0.469 165 F N 0.675 120.375 119.950 -0.416 0.000 2.426 165 F HA 0.313 4.840 4.527 -0.001 0.000 0.348 165 F C 0.528 176.123 175.800 -0.342 0.000 1.124 165 F CA -0.802 57.019 58.000 -0.299 0.000 1.008 165 F CB 1.027 39.870 39.000 -0.263 0.000 1.139 165 F HN -0.082 nan 8.300 nan 0.000 0.452 166 H N 1.543 120.723 119.070 0.184 0.000 2.529 166 H HA 0.719 5.274 4.556 -0.001 0.000 0.348 166 H C -0.487 174.926 175.328 0.141 0.000 1.152 166 H CA -1.052 55.114 56.048 0.196 0.000 1.202 166 H CB 1.947 31.869 29.762 0.267 0.000 1.562 166 H HN 0.693 nan 8.280 nan 0.000 0.515 167 A N 1.300 124.279 122.820 0.266 0.000 2.304 167 A HA 0.667 4.986 4.320 -0.001 0.000 0.301 167 A C -0.333 177.211 177.584 -0.067 0.000 1.132 167 A CA -0.259 51.872 52.037 0.157 0.000 0.819 167 A CB 0.446 19.540 19.000 0.157 0.000 1.094 167 A HN 0.774 nan 8.150 nan 0.000 0.492 168 A N 1.583 124.299 122.820 -0.174 0.000 2.381 168 A HA 0.569 4.889 4.320 -0.001 0.000 0.299 168 A C -0.985 176.490 177.584 -0.182 0.000 1.049 168 A CA -0.506 51.305 52.037 -0.377 0.000 0.715 168 A CB 0.909 19.431 19.000 -0.798 0.000 1.222 168 A HN 1.394 nan 8.150 nan 0.000 0.428 169 L N 2.703 123.844 121.223 -0.136 0.000 2.325 169 L HA 0.381 4.720 4.340 -0.001 0.000 0.284 169 L C 0.677 177.564 176.870 0.030 0.000 1.089 169 L CA 0.183 54.969 54.840 -0.090 0.000 0.836 169 L CB 0.190 42.187 42.059 -0.104 0.000 1.184 169 L HN 0.723 nan 8.230 nan 0.000 0.444 170 R N 5.115 125.652 120.500 0.062 0.000 2.308 170 R HA 0.311 4.651 4.340 -0.001 0.000 0.305 170 R C -0.179 176.245 176.300 0.207 0.000 1.053 170 R CA -0.301 55.892 56.100 0.156 0.000 0.957 170 R CB 0.527 30.935 30.300 0.180 0.000 1.022 170 R HN 0.887 nan 8.270 nan 0.000 0.461 171 L N 3.733 125.081 121.223 0.208 0.000 2.959 171 L HA 0.131 4.470 4.340 -0.001 0.000 0.259 171 L C 0.433 177.371 176.870 0.113 0.000 1.185 171 L CA -0.201 54.770 54.840 0.219 0.000 0.998 171 L CB 0.524 42.705 42.059 0.203 0.000 1.337 171 L HN 0.688 nan 8.230 nan 0.000 0.555 172 D N 1.448 121.906 120.400 0.096 0.000 2.116 172 D HA -0.174 4.465 4.640 -0.001 0.000 0.193 172 D C -0.773 175.485 176.300 -0.071 0.000 0.998 172 D CA 1.554 55.580 54.000 0.045 0.000 0.836 172 D CB -1.115 39.735 40.800 0.084 0.000 0.951 172 D HN 0.236 nan 8.370 nan 0.000 0.449 173 P HA -0.067 nan 4.420 nan 0.000 0.218 173 P C 1.561 178.581 177.300 -0.466 0.000 1.149 173 P CA 0.578 63.419 63.100 -0.432 0.000 0.817 173 P CB 0.085 31.322 31.700 -0.771 0.000 0.785 174 L N -1.042 119.897 121.223 -0.474 0.000 2.044 174 L HA -0.060 4.279 4.340 -0.001 0.000 0.205 174 L C 2.138 179.014 176.870 0.012 0.000 1.075 174 L CA 1.818 56.585 54.840 -0.122 0.000 0.747 174 L CB -1.118 40.999 42.059 0.097 0.000 0.903 174 L HN -0.155 nan 8.230 nan 0.000 0.435 175 L N -0.681 120.543 121.223 0.002 0.000 2.162 175 L HA -0.024 4.315 4.340 -0.001 0.000 0.205 175 L C 1.713 178.602 176.870 0.032 0.000 1.086 175 L CA 0.649 55.499 54.840 0.017 0.000 0.778 175 L CB -0.574 41.522 42.059 0.062 0.000 0.928 175 L HN 0.339 nan 8.230 nan 0.000 0.446 176 N N -0.059 118.659 118.700 0.030 0.000 2.388 176 N HA -0.014 4.725 4.740 -0.001 0.000 0.176 176 N C 0.313 175.844 175.510 0.034 0.000 1.062 176 N CA 0.539 53.616 53.050 0.045 0.000 0.895 176 N CB 0.442 38.961 38.487 0.054 0.000 1.018 176 N HN 0.381 nan 8.380 nan 0.000 0.456 177 E N -0.672 119.533 120.200 0.009 0.000 3.306 177 E HA 0.083 4.432 4.350 -0.001 0.000 0.197 177 E C -0.097 176.503 176.600 0.001 0.000 0.980 177 E CA -0.267 56.132 56.400 -0.002 0.000 1.259 177 E CB 0.168 29.844 29.700 -0.040 0.000 1.112 177 E HN 0.132 nan 8.360 nan 0.000 0.458 178 Y N 1.767 122.014 120.300 -0.089 0.000 2.165 178 Y HA -0.259 4.291 4.550 -0.001 0.000 0.286 178 Y C 2.078 177.929 175.900 -0.081 0.000 1.155 178 Y CA 1.937 59.978 58.100 -0.098 0.000 1.164 178 Y CB 0.269 38.669 38.460 -0.098 0.000 0.978 178 Y HN 0.091 nan 8.280 nan 0.000 0.513 179 E N -0.029 120.124 120.200 -0.078 0.000 2.118 179 E HA -0.228 4.122 4.350 -0.001 0.000 0.195 179 E C 2.021 178.559 176.600 -0.102 0.000 0.992 179 E CA 1.681 58.006 56.400 -0.126 0.000 0.804 179 E CB -0.093 29.609 29.700 0.002 0.000 0.741 179 E HN 0.565 nan 8.360 nan 0.000 0.458 180 Q N -1.267 118.503 119.800 -0.051 0.000 2.096 180 Q HA 0.031 4.371 4.340 -0.001 0.000 0.197 180 Q C 2.166 178.141 176.000 -0.043 0.000 0.964 180 Q CA 1.715 57.531 55.803 0.021 0.000 0.838 180 Q CB -0.310 28.426 28.738 -0.004 0.000 0.906 180 Q HN 0.158 nan 8.270 nan 0.000 0.444 181 T N 0.639 115.091 114.554 -0.169 0.000 2.951 181 T HA -0.070 4.279 4.350 -0.001 0.000 0.268 181 T C 1.394 175.911 174.700 -0.305 0.000 1.073 181 T CA 0.684 62.666 62.100 -0.197 0.000 1.134 181 T CB -0.061 68.672 68.868 -0.226 0.000 0.884 181 T HN 0.188 nan 8.240 nan 0.000 0.479 182 K N 0.440 120.487 120.400 -0.588 0.000 2.097 182 K HA -0.234 4.085 4.320 -0.001 0.000 0.214 182 K C 2.096 178.406 176.600 -0.483 0.000 1.052 182 K CA 1.802 57.664 56.287 -0.708 0.000 0.932 182 K CB -0.213 31.681 32.500 -1.010 0.000 0.716 182 K HN 0.528 nan 8.250 nan 0.000 0.455 183 H N -0.348 118.585 119.070 -0.228 0.000 2.428 183 H HA -0.002 4.554 4.556 -0.001 0.000 0.296 183 H C 2.184 177.361 175.328 -0.253 0.000 1.062 183 H CA 0.942 56.880 56.048 -0.185 0.000 1.350 183 H CB 0.087 29.759 29.762 -0.150 0.000 1.403 183 H HN 0.225 nan 8.280 nan 0.000 0.533 184 R N 0.515 120.862 120.500 -0.256 0.000 2.066 184 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 184 R C 2.611 178.435 176.300 -0.794 0.000 1.131 184 R CA 0.643 56.354 56.100 -0.647 0.000 0.955 184 R CB -0.342 29.526 30.300 -0.721 0.000 0.851 184 R HN 0.207 nan 8.270 nan 0.000 0.432 185 L N 0.514 121.510 121.223 -0.377 0.000 2.013 185 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 185 L C 2.695 179.647 176.870 0.135 0.000 1.073 185 L CA 1.646 56.497 54.840 0.018 0.000 0.753 185 L CB -0.454 41.615 42.059 0.018 0.000 0.890 185 L HN 0.196 nan 8.230 nan 0.000 0.432 186 R N 0.124 120.622 120.500 -0.003 0.000 2.091 186 R HA -0.203 4.137 4.340 -0.001 0.000 0.238 186 R C 2.014 178.326 176.300 0.020 0.000 1.136 186 R CA 1.858 57.976 56.100 0.029 0.000 0.959 186 R CB -0.496 29.801 30.300 -0.005 0.000 0.856 186 R HN 0.567 nan 8.270 nan 0.000 0.437 187 D N -0.488 119.869 120.400 -0.072 0.000 2.347 187 D HA -0.164 4.475 4.640 -0.001 0.000 0.215 187 D C 0.826 177.174 176.300 0.080 0.000 0.976 187 D CA 0.593 54.566 54.000 -0.045 0.000 0.884 187 D CB 0.026 40.765 40.800 -0.101 0.000 0.915 187 D HN 0.293 nan 8.370 nan 0.000 0.526 188 W N 0.732 122.115 121.300 0.139 0.000 3.256 188 W HA 0.339 4.999 4.660 -0.001 0.000 0.269 188 W C 1.596 178.091 176.519 -0.039 0.000 1.310 188 W CA 0.709 58.142 57.345 0.146 0.000 1.673 188 W CB -0.190 29.487 29.460 0.361 0.000 1.115 188 W HN 0.273 nan 8.180 nan 0.000 0.686 189 G N -0.595 108.264 108.800 0.099 0.000 2.163 189 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.213 189 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.213 189 G C -0.476 174.276 174.900 -0.248 0.000 0.991 189 G CA -0.531 44.499 45.100 -0.118 0.000 0.653 189 G HN 0.179 nan 8.290 nan 0.000 0.518 190 Y N 1.263 121.678 120.300 0.191 0.000 2.404 190 Y HA 0.510 5.060 4.550 -0.001 0.000 0.344 190 Y C 0.874 176.834 175.900 0.101 0.000 0.970 190 Y CA -0.905 57.296 58.100 0.169 0.000 1.180 190 Y CB 1.203 39.806 38.460 0.239 0.000 1.138 190 Y HN -0.141 nan 8.280 nan 0.000 0.510 191 K N 4.288 124.795 120.400 0.178 0.000 2.751 191 K HA 0.162 4.482 4.320 -0.001 0.000 0.252 191 K C -0.277 176.384 176.600 0.102 0.000 1.277 191 K CA -0.233 56.116 56.287 0.103 0.000 1.226 191 K CB -0.564 31.973 32.500 0.062 0.000 1.658 191 K HN 0.553 nan 8.250 nan 0.000 0.303 192 V N -0.596 119.391 119.914 0.122 0.000 2.715 192 V HA 0.222 4.342 4.120 -0.001 0.000 0.299 192 V C 0.428 176.569 176.094 0.079 0.000 1.054 192 V CA -0.807 61.567 62.300 0.124 0.000 1.077 192 V CB 0.649 32.594 31.823 0.203 0.000 0.972 192 V HN 0.277 nan 8.190 nan 0.000 0.484 193 N N 2.695 121.445 118.700 0.083 0.000 2.478 193 N HA 0.282 5.021 4.740 -0.001 0.000 0.275 193 N C 0.545 176.115 175.510 0.100 0.000 1.221 193 N CA -0.490 52.600 53.050 0.067 0.000 0.979 193 N CB 1.080 39.594 38.487 0.045 0.000 1.202 193 N HN 0.743 nan 8.380 nan 0.000 0.564 194 D N 0.258 120.706 120.400 0.079 0.000 2.144 194 D HA -0.060 4.579 4.640 -0.001 0.000 0.200 194 D C -0.109 176.278 176.300 0.145 0.000 0.978 194 D CA 1.302 55.357 54.000 0.092 0.000 0.833 194 D CB 0.318 41.159 40.800 0.067 0.000 0.961 194 D HN 0.426 nan 8.370 nan 0.000 0.470 195 E N -0.063 120.216 120.200 0.131 0.000 2.343 195 E HA 0.028 4.378 4.350 -0.001 0.000 0.269 195 E C -0.063 176.676 176.600 0.231 0.000 1.047 195 E CA -0.408 56.088 56.400 0.159 0.000 0.874 195 E CB 0.980 30.738 29.700 0.098 0.000 1.033 195 E HN 0.232 nan 8.360 nan 0.000 0.409 196 W N 5.653 126.984 121.300 0.051 0.000 2.072 196 W HA 0.031 4.691 4.660 -0.001 0.000 0.413 196 W C -0.719 175.819 176.519 0.032 0.000 0.865 196 W CA -0.370 57.000 57.345 0.041 0.000 1.579 196 W CB -0.203 29.268 29.460 0.019 0.000 1.720 196 W HN 0.489 nan 8.180 nan 0.000 0.301 197 N N 0.926 119.470 118.700 -0.260 0.000 2.815 197 N HA 0.310 5.049 4.740 -0.001 0.000 0.315 197 N C 0.989 176.283 175.510 -0.360 0.000 1.320 197 N CA 0.172 53.084 53.050 -0.230 0.000 0.846 197 N CB -0.191 38.242 38.487 -0.090 0.000 1.344 197 N HN 0.138 nan 8.380 nan 0.000 0.593 198 E N -0.490 119.582 120.200 -0.214 0.000 2.118 198 E HA -0.056 4.294 4.350 -0.001 0.000 0.195 198 E C 1.818 178.311 176.600 -0.179 0.000 0.992 198 E CA 1.797 58.084 56.400 -0.189 0.000 0.804 198 E CB -1.678 27.964 29.700 -0.097 0.000 0.741 198 E HN 0.737 nan 8.360 nan 0.000 0.458 199 G N 0.268 108.987 108.800 -0.136 0.000 2.440 199 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 199 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 199 G C 2.165 176.996 174.900 -0.116 0.000 1.154 199 G CA 1.436 46.483 45.100 -0.089 0.000 0.767 199 G HN 0.525 nan 8.290 nan 0.000 0.552 200 S N 0.397 115.966 115.700 -0.218 0.000 2.368 200 S HA -0.001 4.468 4.470 -0.001 0.000 0.224 200 S C 2.287 176.626 174.600 -0.435 0.000 1.029 200 S CA 0.746 58.792 58.200 -0.258 0.000 0.988 200 S CB -0.205 62.819 63.200 -0.294 0.000 0.838 200 S HN 0.374 nan 8.310 nan 0.000 0.462 201 I N 1.606 121.746 120.570 -0.716 0.000 2.163 201 I HA -0.236 3.934 4.170 -0.001 0.000 0.243 201 I C 2.693 178.720 176.117 -0.150 0.000 1.085 201 I CA 1.133 62.123 61.300 -0.516 0.000 1.347 201 I CB -0.317 37.422 38.000 -0.436 0.000 1.044 201 I HN 0.241 nan 8.210 nan 0.000 0.408 202 Q N 0.319 120.055 119.800 -0.107 0.000 2.119 202 Q HA -0.161 4.178 4.340 -0.001 0.000 0.201 202 Q C 2.121 178.162 176.000 0.070 0.000 0.972 202 Q CA 1.246 57.047 55.803 -0.004 0.000 0.847 202 Q CB -0.290 28.446 28.738 -0.004 0.000 0.903 202 Q HN 0.485 nan 8.270 nan 0.000 0.433 203 E N -0.053 120.197 120.200 0.083 0.000 2.107 203 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 203 E C 2.179 178.919 176.600 0.234 0.000 0.982 203 E CA 0.565 57.090 56.400 0.210 0.000 0.809 203 E CB -0.051 29.779 29.700 0.218 0.000 0.756 203 E HN 0.125 nan 8.360 nan 0.000 0.459 204 V N 1.556 121.572 119.914 0.171 0.000 2.427 204 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 204 V C 2.228 178.441 176.094 0.199 0.000 1.051 204 V CA 1.591 64.013 62.300 0.204 0.000 1.048 204 V CB -0.357 31.621 31.823 0.258 0.000 0.666 204 V HN 0.199 nan 8.190 nan 0.000 0.456 205 K N -0.125 120.362 120.400 0.145 0.000 2.103 205 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 205 K C 2.384 179.058 176.600 0.123 0.000 1.048 205 K CA 1.602 57.962 56.287 0.121 0.000 0.930 205 K CB -0.229 32.325 32.500 0.091 0.000 0.716 205 K HN 0.304 nan 8.250 nan 0.000 0.444 206 R N 0.204 120.799 120.500 0.157 0.000 2.092 206 R HA -0.121 4.218 4.340 -0.001 0.000 0.231 206 R C 2.142 178.535 176.300 0.155 0.000 1.119 206 R CA 1.063 57.276 56.100 0.187 0.000 0.970 206 R CB -0.236 30.237 30.300 0.289 0.000 0.864 206 R HN 0.145 nan 8.270 nan 0.000 0.440 207 F N 1.316 121.165 119.950 -0.168 0.000 2.069 207 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 207 F C 1.713 177.481 175.800 -0.053 0.000 1.113 207 F CA 1.621 59.343 58.000 -0.463 0.000 1.214 207 F CB -0.357 38.281 39.000 -0.604 0.000 0.978 207 F HN -0.025 nan 8.300 nan 0.000 0.474 208 L N -0.384 120.857 121.223 0.030 0.000 2.012 208 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 208 L C 2.379 179.166 176.870 -0.139 0.000 1.073 208 L CA 2.046 56.854 54.840 -0.052 0.000 0.748 208 L CB -1.323 40.762 42.059 0.044 0.000 0.891 208 L HN 0.186 nan 8.230 nan 0.000 0.431 209 T N -1.186 113.312 114.554 -0.093 0.000 2.746 209 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 209 T C 1.456 176.057 174.700 -0.165 0.000 1.039 209 T CA 1.402 63.425 62.100 -0.129 0.000 1.142 209 T CB -0.242 68.623 68.868 -0.006 0.000 0.866 209 T HN 0.312 nan 8.240 nan 0.000 0.444 210 D N -0.079 120.218 120.400 -0.172 0.000 2.178 210 D HA -0.046 4.593 4.640 -0.001 0.000 0.202 210 D C 1.611 177.620 176.300 -0.486 0.000 0.974 210 D CA 0.797 54.632 54.000 -0.276 0.000 0.841 210 D CB -0.196 40.474 40.800 -0.217 0.000 0.953 210 D HN 0.554 nan 8.370 nan 0.000 0.478 211 W N 0.887 121.918 121.300 -0.449 0.000 2.523 211 W HA 0.168 4.828 4.660 -0.001 0.000 0.278 211 W C 2.301 178.576 176.519 -0.408 0.000 1.236 211 W CA -0.114 56.926 57.345 -0.509 0.000 1.306 211 W CB -0.135 28.890 29.460 -0.726 0.000 1.101 211 W HN -0.122 nan 8.180 nan 0.000 0.577 212 I N 0.310 120.779 120.570 -0.168 0.000 2.163 212 I HA -0.333 3.837 4.170 -0.001 0.000 0.243 212 I C 2.439 178.450 176.117 -0.177 0.000 1.085 212 I CA 1.785 62.961 61.300 -0.207 0.000 1.347 212 I CB -0.624 37.164 38.000 -0.352 0.000 1.044 212 I HN 0.076 nan 8.210 nan 0.000 0.408 213 E N 1.134 121.225 120.200 -0.182 0.000 2.077 213 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 213 E C 1.644 178.163 176.600 -0.136 0.000 0.989 213 E CA 0.637 56.957 56.400 -0.133 0.000 0.800 213 E CB 0.184 29.806 29.700 -0.130 0.000 0.746 213 E HN 0.295 nan 8.360 nan 0.000 0.452 217 P HA 0.124 nan 4.420 nan 0.000 0.275 217 P C 1.327 178.609 177.300 -0.030 0.000 1.228 217 P CA -0.474 62.587 63.100 -0.065 0.000 0.786 217 P CB 1.441 33.066 31.700 -0.125 0.000 0.927 218 V N -0.388 119.494 119.914 -0.053 0.000 2.788 218 V HA 0.075 4.194 4.120 -0.001 0.000 0.251 218 V C 0.491 176.602 176.094 0.029 0.000 1.068 218 V CA 1.030 63.329 62.300 -0.002 0.000 1.090 218 V CB -1.705 30.152 31.823 0.057 0.000 0.710 218 V HN 0.661 nan 8.190 nan 0.000 0.467 222 V N 1.287 121.277 119.914 0.127 0.000 2.808 222 V HA 0.751 4.871 4.120 -0.001 0.000 0.308 222 V C -0.422 175.654 176.094 -0.030 0.000 1.099 222 V CA -0.228 62.130 62.300 0.096 0.000 0.920 222 V CB 2.411 34.337 31.823 0.171 0.000 1.014 222 V HN 1.267 nan 8.190 nan 0.000 0.425 223 S N 6.835 122.559 115.700 0.041 0.000 2.525 223 S HA 0.757 5.226 4.470 -0.001 0.000 0.278 223 S C -0.584 174.054 174.600 0.063 0.000 1.234 223 S CA -0.403 57.839 58.200 0.070 0.000 1.058 223 S CB 0.981 64.328 63.200 0.245 0.000 0.983 223 S HN 0.585 nan 8.310 nan 0.000 0.495 224 L N 4.195 125.436 121.223 0.030 0.000 2.354 224 L HA 0.600 4.940 4.340 -0.001 0.000 0.264 224 L C -2.276 174.648 176.870 0.091 0.000 1.008 224 L CA -2.503 52.325 54.840 -0.020 0.000 0.819 224 L CB 2.401 44.257 42.059 -0.338 0.000 1.339 224 L HN 0.388 nan 8.230 nan 0.000 0.420 225 P HA 0.237 nan 4.420 nan 0.000 0.276 225 P C -2.471 174.908 177.300 0.132 0.000 1.261 225 P CA -1.665 61.510 63.100 0.125 0.000 0.800 225 P CB 0.515 32.289 31.700 0.123 0.000 1.066 226 P HA -0.126 nan 4.420 nan 0.000 0.219 226 P C 1.283 178.635 177.300 0.086 0.000 1.146 226 P CA 1.996 65.130 63.100 0.057 0.000 0.808 226 P CB -0.679 31.018 31.700 -0.006 0.000 0.779 227 T N -4.903 109.708 114.554 0.094 0.000 3.148 227 T HA 0.014 4.363 4.350 -0.001 0.000 0.253 227 T C 0.387 175.156 174.700 0.115 0.000 1.134 227 T CA -0.439 61.709 62.100 0.079 0.000 1.051 227 T CB -1.211 67.692 68.868 0.057 0.000 0.959 227 T HN -0.109 nan 8.240 nan 0.000 0.525 228 F N 3.596 123.564 119.950 0.030 0.000 2.612 228 F HA 0.373 4.900 4.527 -0.001 0.000 0.389 228 F C -0.104 175.723 175.800 0.045 0.000 1.055 228 F CA -0.465 57.562 58.000 0.044 0.000 1.232 228 F CB 0.091 39.120 39.000 0.049 0.000 1.044 228 F HN 0.046 nan 8.300 nan 0.000 0.560 229 S N 6.469 121.712 115.700 -0.761 0.000 2.569 229 S HA 0.743 5.212 4.470 -0.001 0.000 0.280 229 S C -1.631 172.522 174.600 -0.745 0.000 1.111 229 S CA -0.603 57.203 58.200 -0.656 0.000 0.887 229 S CB 2.005 65.021 63.200 -0.306 0.000 1.095 229 S HN 0.597 nan 8.310 nan 0.000 0.476 230 F N 1.998 121.567 119.950 -0.635 0.000 2.622 230 F HA 0.512 5.039 4.527 -0.001 0.000 0.318 230 F C -2.985 172.538 175.800 -0.461 0.000 1.135 230 F CA -1.471 56.270 58.000 -0.432 0.000 1.015 230 F CB 1.355 40.188 39.000 -0.279 0.000 1.275 230 F HN 0.351 nan 8.300 nan 0.000 0.457 231 P HA 0.268 nan 4.420 nan 0.000 0.271 231 P C -1.667 175.219 177.300 -0.690 0.000 1.233 231 P CA 0.006 62.292 63.100 -1.356 0.000 0.789 231 P CB 0.741 31.901 31.700 -0.899 0.000 0.951 232 E N 0.197 120.065 120.200 -0.554 0.000 2.354 232 E HA 0.130 4.480 4.350 -0.001 0.000 0.283 232 E C -1.070 175.392 176.600 -0.230 0.000 0.938 232 E CA -0.490 55.729 56.400 -0.302 0.000 0.777 232 E CB 1.044 30.613 29.700 -0.219 0.000 1.222 232 E HN 0.186 nan 8.360 nan 0.000 0.423 233 E N 2.415 122.513 120.200 -0.170 0.000 1.892 233 E HA 0.195 4.545 4.350 -0.001 0.000 0.271 233 E C -0.915 175.613 176.600 -0.121 0.000 1.146 233 E CA 0.062 56.381 56.400 -0.136 0.000 1.096 233 E CB 0.487 30.129 29.700 -0.097 0.000 1.155 233 E HN 0.490 nan 8.360 nan 0.000 0.458 234 S N 0.716 116.329 115.700 -0.145 0.000 2.685 234 S HA 0.385 4.855 4.470 -0.001 0.000 0.282 234 S C 0.862 175.333 174.600 -0.215 0.000 1.159 234 S CA -0.857 57.267 58.200 -0.127 0.000 0.833 234 S CB 1.180 64.336 63.200 -0.074 0.000 1.151 234 S HN 0.090 nan 8.310 nan 0.000 0.485 235 N N 0.986 119.564 118.700 -0.202 0.000 2.104 235 N HA -0.121 4.618 4.740 -0.001 0.000 0.190 235 N C 1.748 177.050 175.510 -0.347 0.000 1.024 235 N CA 1.470 54.305 53.050 -0.358 0.000 0.853 235 N CB -0.616 37.766 38.487 -0.176 0.000 1.008 235 N HN 0.699 nan 8.380 nan 0.000 0.424 236 R N 0.515 120.930 120.500 -0.141 0.000 2.070 236 R HA -0.072 4.268 4.340 -0.001 0.000 0.233 236 R C 2.260 178.564 176.300 0.007 0.000 1.137 236 R CA 1.734 57.813 56.100 -0.036 0.000 0.945 236 R CB -0.628 29.730 30.300 0.096 0.000 0.845 236 R HN 0.214 nan 8.270 nan 0.000 0.430 237 G N 0.210 109.013 108.800 0.006 0.000 2.422 237 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 237 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 237 G C 1.416 176.314 174.900 -0.003 0.000 1.146 237 G CA 0.537 45.674 45.100 0.062 0.000 0.769 237 G HN 0.311 nan 8.290 nan 0.000 0.547 238 R N -0.353 120.016 120.500 -0.219 0.000 2.073 238 R HA 0.158 4.497 4.340 -0.001 0.000 0.229 238 R C 2.564 178.729 176.300 -0.226 0.000 1.120 238 R CA 0.744 56.654 56.100 -0.317 0.000 0.967 238 R CB -0.295 29.518 30.300 -0.810 0.000 0.862 238 R HN 0.368 nan 8.270 nan 0.000 0.436 239 I N 0.733 121.083 120.570 -0.367 0.000 2.226 239 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 239 I C 2.227 178.336 176.117 -0.014 0.000 1.100 239 I CA 1.331 62.528 61.300 -0.172 0.000 1.374 239 I CB -0.205 37.630 38.000 -0.275 0.000 1.057 239 I HN 0.122 nan 8.210 nan 0.000 0.413 240 I N 0.311 120.881 120.570 -0.001 0.000 2.179 240 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 240 I C 2.824 178.955 176.117 0.023 0.000 1.088 240 I CA 1.428 62.712 61.300 -0.027 0.000 1.357 240 I CB -0.464 37.583 38.000 0.077 0.000 1.051 240 I HN 0.226 nan 8.210 nan 0.000 0.409 241 R N 0.868 121.497 120.500 0.214 0.000 2.066 241 R HA -0.167 4.173 4.340 -0.001 0.000 0.232 241 R C 1.610 178.033 176.300 0.205 0.000 1.131 241 R CA 1.951 58.216 56.100 0.275 0.000 0.955 241 R CB -0.042 30.470 30.300 0.353 0.000 0.851 241 R HN 0.298 nan 8.270 nan 0.000 0.432 242 D N -1.037 119.501 120.400 0.230 0.000 2.327 242 D HA 0.018 4.658 4.640 -0.001 0.000 0.205 242 D C 1.419 177.832 176.300 0.188 0.000 0.989 242 D CA 0.595 54.744 54.000 0.249 0.000 0.873 242 D CB 0.370 41.411 40.800 0.401 0.000 0.955 242 D HN 0.300 nan 8.370 nan 0.000 0.515 243 C N -0.482 118.917 119.300 0.166 0.000 2.403 243 C HA 0.281 4.740 4.460 -0.001 0.000 0.380 243 C C 2.522 177.530 174.990 0.030 0.000 1.490 243 C CA -0.423 58.667 59.018 0.121 0.000 2.457 243 C CB -0.509 27.342 27.740 0.185 0.000 2.341 243 C HN 0.199 nan 8.230 nan 0.000 0.626 244 L N 1.087 122.281 121.223 -0.048 0.000 1.988 244 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 244 L C 2.421 179.160 176.870 -0.219 0.000 1.071 244 L CA 1.710 56.441 54.840 -0.182 0.000 0.744 244 L CB -0.427 41.408 42.059 -0.374 0.000 0.893 244 L HN 0.360 nan 8.230 nan 0.000 0.433 245 L N -0.274 120.805 121.223 -0.240 0.000 2.012 245 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 245 L C -0.243 176.576 176.870 -0.084 0.000 1.073 245 L CA 1.325 56.025 54.840 -0.234 0.000 0.748 245 L CB -2.058 39.771 42.059 -0.383 0.000 0.891 245 L HN 0.275 nan 8.230 nan 0.000 0.431 246 P HA -0.126 nan 4.420 nan 0.000 0.215 246 P C 1.971 179.296 177.300 0.041 0.000 1.153 246 P CA 1.143 64.270 63.100 0.044 0.000 0.853 246 P CB 0.039 31.781 31.700 0.071 0.000 0.788 247 V N 0.157 120.097 119.914 0.043 0.000 2.358 247 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 247 V C 2.514 178.681 176.094 0.122 0.000 1.047 247 V CA 2.155 64.519 62.300 0.107 0.000 1.035 247 V CB -1.704 30.163 31.823 0.073 0.000 0.658 247 V HN 0.094 nan 8.190 nan 0.000 0.452 248 A N -0.372 122.449 122.820 0.002 0.000 1.902 248 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 248 A C 2.289 179.864 177.584 -0.016 0.000 1.181 248 A CA 2.091 54.111 52.037 -0.030 0.000 0.623 248 A CB -0.503 18.418 19.000 -0.132 0.000 0.818 248 A HN 0.634 nan 8.150 nan 0.000 0.443 249 E N -0.162 120.024 120.200 -0.024 0.000 2.051 249 E HA -0.245 4.105 4.350 -0.001 0.000 0.192 249 E C 2.108 178.695 176.600 -0.022 0.000 0.991 249 E CA 1.485 57.872 56.400 -0.020 0.000 0.799 249 E CB -0.178 29.530 29.700 0.013 0.000 0.748 249 E HN 0.600 nan 8.360 nan 0.000 0.449 250 K N -0.488 119.901 120.400 -0.018 0.000 2.063 250 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 250 K C 1.495 177.960 176.600 -0.225 0.000 1.048 250 K CA 1.935 58.152 56.287 -0.117 0.000 0.928 250 K CB -0.131 32.284 32.500 -0.142 0.000 0.713 250 K HN 0.284 nan 8.250 nan 0.000 0.442 251 H N -0.679 118.370 119.070 -0.035 0.000 2.539 251 H HA 0.126 4.682 4.556 -0.001 0.000 0.269 251 H C -0.031 175.268 175.328 -0.048 0.000 0.980 251 H CA 0.340 56.366 56.048 -0.036 0.000 1.152 251 H CB 0.308 30.050 29.762 -0.033 0.000 1.407 251 H HN 0.286 nan 8.280 nan 0.000 0.564 252 N N 0.813 119.522 118.700 0.015 0.000 2.725 252 N HA -0.183 4.557 4.740 -0.001 0.000 0.251 252 N C -1.222 174.260 175.510 -0.046 0.000 1.031 252 N CA 0.304 53.329 53.050 -0.041 0.000 0.720 252 N CB -1.372 37.081 38.487 -0.058 0.000 0.930 252 N HN 0.422 nan 8.380 nan 0.000 0.543 253 I N 0.645 121.201 120.570 -0.023 0.000 2.354 253 I HA 0.377 4.547 4.170 -0.001 0.000 0.292 253 I C -1.847 174.238 176.117 -0.053 0.000 0.989 253 I CA -2.065 59.222 61.300 -0.021 0.000 1.188 253 I CB 1.638 39.644 38.000 0.009 0.000 1.342 253 I HN -0.016 nan 8.210 nan 0.000 0.457 254 P HA 0.047 nan 4.420 nan 0.000 0.272 254 P C -0.893 176.458 177.300 0.085 0.000 1.230 254 P CA -0.145 62.928 63.100 -0.045 0.000 0.788 254 P CB 0.460 32.170 31.700 0.016 0.000 0.949 255 F N 1.621 121.457 119.950 -0.189 0.000 2.375 255 F HA 0.638 5.164 4.527 -0.001 0.000 0.361 255 F C -0.257 175.515 175.800 -0.046 0.000 1.117 255 F CA -1.517 56.413 58.000 -0.116 0.000 1.037 255 F CB 0.111 38.988 39.000 -0.205 0.000 1.192 255 F HN 0.361 nan 8.300 nan 0.000 0.452 260 G N 3.441 112.351 108.800 0.183 0.000 2.227 260 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.168 260 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.168 260 G C -0.318 174.579 174.900 -0.005 0.000 1.006 260 G CA 0.021 45.162 45.100 0.068 0.000 0.684 260 G HN 0.667 nan 8.290 nan 0.000 0.489 261 V N 1.490 121.458 119.914 0.091 0.000 2.488 261 V HA 0.596 4.715 4.120 -0.001 0.000 0.277 261 V C 0.217 176.346 176.094 0.058 0.000 1.046 261 V CA -0.197 62.123 62.300 0.033 0.000 0.986 261 V CB 0.870 32.831 31.823 0.230 0.000 0.989 261 V HN 0.217 nan 8.190 nan 0.000 0.475 262 K N 6.666 127.073 120.400 0.011 0.000 2.292 262 K HA 0.403 4.723 4.320 -0.001 0.000 0.270 262 K C -0.524 176.156 176.600 0.132 0.000 1.062 262 K CA -0.668 55.661 56.287 0.070 0.000 0.916 262 K CB 0.836 33.376 32.500 0.066 0.000 1.166 262 K HN 0.514 nan 8.250 nan 0.000 0.458 263 K N 2.853 123.335 120.400 0.137 0.000 2.368 263 K HA 0.116 4.436 4.320 -0.001 0.000 0.282 263 K C 0.191 176.871 176.600 0.135 0.000 1.035 263 K CA -0.141 56.237 56.287 0.152 0.000 0.973 263 K CB 0.657 33.239 32.500 0.136 0.000 0.957 263 K HN 0.458 nan 8.250 nan 0.000 0.474 264 R N 0.563 121.150 120.500 0.145 0.000 3.205 264 R HA -0.130 4.209 4.340 -0.001 0.000 0.249 264 R C 0.982 177.350 176.300 0.114 0.000 0.937 264 R CA 0.806 56.982 56.100 0.126 0.000 0.641 264 R CB -2.823 27.537 30.300 0.100 0.000 1.114 264 R HN 0.653 nan 8.270 nan 0.000 0.451 265 V N -2.980 117.004 119.914 0.118 0.000 2.809 265 V HA -0.027 4.092 4.120 -0.001 0.000 0.256 265 V C 1.098 177.234 176.094 0.070 0.000 1.080 265 V CA 1.737 64.074 62.300 0.062 0.000 1.102 265 V CB -0.237 31.587 31.823 0.003 0.000 0.705 265 V HN 0.561 nan 8.190 nan 0.000 0.475 266 H N 0.528 119.601 119.070 0.005 0.000 2.423 266 H HA 0.391 4.946 4.556 -0.001 0.000 0.237 266 H C -2.109 173.254 175.328 0.058 0.000 1.391 266 H CA -2.060 53.995 56.048 0.012 0.000 1.453 266 H CB 1.762 31.518 29.762 -0.009 0.000 1.484 266 H HN 0.178 nan 8.280 nan 0.000 0.505 267 P HA -0.221 nan 4.420 nan 0.000 0.216 267 P C 1.466 178.833 177.300 0.112 0.000 1.154 267 P CA 1.765 64.946 63.100 0.135 0.000 0.865 267 P CB 0.216 31.983 31.700 0.111 0.000 0.789 268 A N -0.630 122.278 122.820 0.147 0.000 1.978 268 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 268 A C 2.086 179.777 177.584 0.180 0.000 1.170 268 A CA 1.300 53.421 52.037 0.140 0.000 0.636 268 A CB -1.614 17.486 19.000 0.165 0.000 0.810 268 A HN 0.169 nan 8.150 nan 0.000 0.448 269 L N -1.160 120.045 121.223 -0.030 0.000 2.622 269 L HA 0.100 4.440 4.340 -0.001 0.000 0.233 269 L C 1.808 178.849 176.870 0.286 0.000 1.156 269 L CA 0.271 55.176 54.840 0.109 0.000 0.866 269 L CB -1.120 40.870 42.059 -0.115 0.000 0.980 269 L HN 0.671 nan 8.230 nan 0.000 0.448 270 G N 0.779 109.668 108.800 0.148 0.000 2.574 270 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.286 270 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.286 270 G C 0.524 175.461 174.900 0.061 0.000 1.212 270 G CA 0.364 45.490 45.100 0.044 0.000 0.979 270 G HN 0.269 nan 8.290 nan 0.000 0.557 271 D N 0.857 121.266 120.400 0.015 0.000 2.239 271 D HA 0.030 4.670 4.640 -0.001 0.000 0.202 271 D C 2.480 178.679 176.300 -0.169 0.000 0.993 271 D CA 1.887 55.805 54.000 -0.137 0.000 0.874 271 D CB -0.551 40.093 40.800 -0.259 0.000 0.922 271 D HN 0.918 nan 8.370 nan 0.000 0.464 272 A N 0.001 122.876 122.820 0.090 0.000 2.302 272 A HA 0.318 4.638 4.320 -0.001 0.000 0.219 272 A C 1.965 179.671 177.584 0.204 0.000 1.243 272 A CA 0.696 52.878 52.037 0.241 0.000 0.856 272 A CB -0.157 19.009 19.000 0.276 0.000 0.893 272 A HN 0.222 nan 8.150 nan 0.000 0.491 273 G N -0.798 108.104 108.800 0.170 0.000 3.088 273 G HA2 0.191 4.150 3.960 -0.001 0.000 0.217 273 G HA3 0.191 4.150 3.960 -0.001 0.000 0.217 273 G C -0.262 174.756 174.900 0.198 0.000 1.159 273 G CA -0.127 45.070 45.100 0.162 0.000 0.760 273 G HN 0.350 nan 8.290 nan 0.000 0.550 274 D N -0.139 120.424 120.400 0.271 0.000 2.264 274 D HA 0.508 5.148 4.640 -0.001 0.000 0.249 274 D C -0.777 175.672 176.300 0.248 0.000 1.070 274 D CA -0.300 53.867 54.000 0.278 0.000 0.912 274 D CB 2.047 43.094 40.800 0.412 0.000 1.193 274 D HN -0.015 nan 8.370 nan 0.000 0.427 275 F N 0.887 120.810 119.950 -0.046 0.000 2.746 275 F HA 0.655 5.181 4.527 -0.001 0.000 0.378 275 F C -1.108 174.574 175.800 -0.196 0.000 1.165 275 F CA -1.256 56.633 58.000 -0.184 0.000 1.089 275 F CB 1.161 40.073 39.000 -0.148 0.000 1.439 275 F HN 0.089 nan 8.300 nan 0.000 0.516 276 V N 0.801 120.069 119.914 -1.077 0.000 2.925 276 V HA 0.929 5.048 4.120 -0.001 0.000 0.311 276 V C -0.910 174.675 176.094 -0.849 0.000 1.104 276 V CA 0.093 61.921 62.300 -0.788 0.000 0.954 276 V CB 1.658 33.090 31.823 -0.652 0.000 1.022 276 V HN 1.146 nan 8.190 nan 0.000 0.427 277 G N 3.235 111.776 108.800 -0.432 0.000 2.704 277 G HA2 0.460 4.419 3.960 -0.001 0.000 0.293 277 G HA3 0.460 4.419 3.960 -0.001 0.000 0.293 277 G C -1.620 173.180 174.900 -0.167 0.000 1.421 277 G CA -0.877 44.043 45.100 -0.301 0.000 0.870 277 G HN 0.880 nan 8.290 nan 0.000 0.492 278 K N 0.224 120.549 120.400 -0.125 0.000 2.350 278 K HA 0.578 4.897 4.320 -0.001 0.000 0.279 278 K C 0.206 176.787 176.600 -0.031 0.000 1.027 278 K CA -0.160 56.086 56.287 -0.069 0.000 0.969 278 K CB 0.817 33.282 32.500 -0.058 0.000 0.954 278 K HN 0.630 nan 8.250 nan 0.000 0.474 279 A N 2.656 125.475 122.820 -0.001 0.000 2.330 279 A HA 0.370 4.690 4.320 -0.001 0.000 0.329 279 A C -0.254 177.351 177.584 0.034 0.000 1.135 279 A CA -0.645 51.412 52.037 0.034 0.000 0.817 279 A CB 1.500 20.544 19.000 0.074 0.000 1.269 279 A HN 0.776 nan 8.150 nan 0.000 0.469 283 G N 1.284 110.089 108.800 0.009 0.000 2.402 283 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.216 283 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.216 283 G C 1.601 176.566 174.900 0.107 0.000 1.162 283 G CA 1.530 46.636 45.100 0.010 0.000 0.777 283 G HN 0.252 nan 8.290 nan 0.000 0.539 284 V N 0.672 120.638 119.914 0.086 0.000 2.358 284 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 284 V C 2.537 178.532 176.094 -0.164 0.000 1.047 284 V CA 2.096 64.372 62.300 -0.039 0.000 1.035 284 V CB -0.452 31.349 31.823 -0.036 0.000 0.658 284 V HN 0.524 nan 8.190 nan 0.000 0.452 285 E N -0.253 119.901 120.200 -0.077 0.000 2.085 285 E HA -0.314 4.036 4.350 -0.001 0.000 0.194 285 E C 2.327 178.837 176.600 -0.150 0.000 0.994 285 E CA 1.612 57.944 56.400 -0.114 0.000 0.801 285 E CB -0.253 29.477 29.700 0.050 0.000 0.743 285 E HN 0.753 nan 8.360 nan 0.000 0.453 286 H N 0.838 119.866 119.070 -0.071 0.000 2.321 286 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 286 H C 2.336 177.666 175.328 0.005 0.000 1.087 286 H CA 1.569 57.629 56.048 0.019 0.000 1.319 286 H CB -0.216 29.634 29.762 0.147 0.000 1.379 286 H HN 0.206 nan 8.280 nan 0.000 0.501 287 L N 0.299 121.566 121.223 0.073 0.000 2.012 287 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 287 L C 3.032 179.691 176.870 -0.353 0.000 1.073 287 L CA 1.062 55.830 54.840 -0.121 0.000 0.748 287 L CB -0.464 41.274 42.059 -0.535 0.000 0.891 287 L HN 0.224 nan 8.230 nan 0.000 0.431 288 L N -0.722 120.094 121.223 -0.678 0.000 2.046 288 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 288 L C 2.830 179.374 176.870 -0.543 0.000 1.077 288 L CA 1.301 55.697 54.840 -0.740 0.000 0.747 288 L CB -0.492 40.842 42.059 -1.209 0.000 0.896 288 L HN 0.252 nan 8.230 nan 0.000 0.432 289 R N 0.001 120.159 120.500 -0.570 0.000 2.073 289 R HA -0.120 4.220 4.340 -0.001 0.000 0.229 289 R C 1.900 178.122 176.300 -0.130 0.000 1.120 289 R CA 1.163 57.163 56.100 -0.166 0.000 0.967 289 R CB 0.119 30.393 30.300 -0.044 0.000 0.862 289 R HN 0.255 nan 8.270 nan 0.000 0.436 290 E N -0.467 119.582 120.200 -0.251 0.000 2.442 290 E HA -0.058 4.291 4.350 -0.001 0.000 0.195 290 E C -0.239 176.038 176.600 -0.538 0.000 1.030 290 E CA 0.533 56.692 56.400 -0.401 0.000 0.869 290 E CB 0.427 29.755 29.700 -0.621 0.000 0.857 290 E HN 0.431 nan 8.360 nan 0.000 0.505 291 Y N 0.877 121.204 120.300 0.046 0.000 2.495 291 Y HA 0.211 4.761 4.550 -0.001 0.000 0.362 291 Y C -1.566 174.442 175.900 0.180 0.000 0.956 291 Y CA -1.941 56.250 58.100 0.152 0.000 1.127 291 Y CB 1.068 39.695 38.460 0.278 0.000 1.173 291 Y HN -0.035 nan 8.280 nan 0.000 0.639 292 P HA -0.129 nan 4.420 nan 0.000 0.225 292 P C 0.252 177.641 177.300 0.149 0.000 1.148 292 P CA 1.349 64.549 63.100 0.167 0.000 0.779 292 P CB 0.519 32.284 31.700 0.107 0.000 0.780 293 N N -0.216 118.564 118.700 0.134 0.000 2.270 293 N HA 0.056 4.795 4.740 -0.001 0.000 0.198 293 N C 0.060 175.596 175.510 0.043 0.000 1.117 293 N CA 0.152 53.248 53.050 0.077 0.000 0.845 293 N CB -0.158 38.365 38.487 0.061 0.000 0.980 293 N HN 0.270 nan 8.380 nan 0.000 0.486 294 N N 0.368 119.114 118.700 0.077 0.000 2.417 294 N HA 0.263 5.002 4.740 -0.001 0.000 0.300 294 N C -0.553 174.831 175.510 -0.209 0.000 1.102 294 N CA -0.339 52.633 53.050 -0.130 0.000 0.886 294 N CB 1.724 40.068 38.487 -0.238 0.000 1.203 294 N HN -0.157 nan 8.380 nan 0.000 0.496 295 K N 1.209 121.374 120.400 -0.392 0.000 2.164 295 K HA 0.483 4.803 4.320 -0.001 0.000 0.258 295 K C -1.263 175.133 176.600 -0.340 0.000 0.951 295 K CA -0.454 55.678 56.287 -0.258 0.000 0.844 295 K CB 1.274 33.461 32.500 -0.521 0.000 1.099 295 K HN 0.369 nan 8.250 nan 0.000 0.435 296 F N 2.529 122.661 119.950 0.304 0.000 2.536 296 F HA 0.371 4.898 4.527 -0.001 0.000 0.322 296 F C -0.394 175.483 175.800 0.128 0.000 1.144 296 F CA -0.810 57.281 58.000 0.152 0.000 0.924 296 F CB 1.192 40.218 39.000 0.043 0.000 1.181 296 F HN 0.120 nan 8.300 nan 0.000 0.438 297 L N 4.485 125.794 121.223 0.142 0.000 2.282 297 L HA 0.764 5.103 4.340 -0.001 0.000 0.288 297 L C -0.883 176.025 176.870 0.064 0.000 1.033 297 L CA -0.761 54.086 54.840 0.012 0.000 0.807 297 L CB 1.550 43.463 42.059 -0.244 0.000 1.209 297 L HN 0.344 nan 8.230 nan 0.000 0.423 298 V N 2.340 122.303 119.914 0.081 0.000 2.686 298 V HA 0.576 4.696 4.120 -0.001 0.000 0.306 298 V C -0.198 175.637 176.094 -0.431 0.000 1.065 298 V CA -0.426 61.797 62.300 -0.129 0.000 0.894 298 V CB 2.163 33.909 31.823 -0.129 0.000 1.004 298 V HN 0.786 nan 8.190 nan 0.000 0.424 302 S N 0.139 115.807 115.700 -0.054 0.000 2.537 302 S HA 0.308 4.777 4.470 -0.001 0.000 0.275 302 S C 1.300 175.871 174.600 -0.048 0.000 1.272 302 S CA -0.221 57.927 58.200 -0.086 0.000 1.050 302 S CB 1.394 64.542 63.200 -0.087 0.000 0.961 302 S HN 0.324 nan 8.310 nan 0.000 0.496 303 R N 2.305 122.771 120.500 -0.058 0.000 2.096 303 R HA -0.086 4.254 4.340 -0.001 0.000 0.235 303 R C 0.732 177.016 176.300 -0.026 0.000 1.127 303 R CA 1.738 57.817 56.100 -0.035 0.000 0.968 303 R CB -0.124 30.150 30.300 -0.043 0.000 0.861 303 R HN 0.634 nan 8.270 nan 0.000 0.440 304 E N -0.363 119.815 120.200 -0.037 0.000 2.511 304 E HA -0.022 4.327 4.350 -0.001 0.000 0.196 304 E C 0.654 177.250 176.600 -0.007 0.000 1.066 304 E CA 0.618 57.003 56.400 -0.025 0.000 0.871 304 E CB 0.057 29.733 29.700 -0.039 0.000 0.863 304 E HN 0.459 nan 8.360 nan 0.000 0.520 305 N N -0.415 118.281 118.700 -0.008 0.000 2.299 305 N HA -0.026 4.713 4.740 -0.001 0.000 0.187 305 N C 1.258 176.771 175.510 0.004 0.000 1.099 305 N CA -0.078 52.974 53.050 0.002 0.000 0.867 305 N CB 0.360 38.846 38.487 -0.002 0.000 0.974 305 N HN -0.017 nan 8.380 nan 0.000 0.477 306 Q N 0.283 120.088 119.800 0.008 0.000 2.046 306 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 306 Q C 1.788 177.784 176.000 -0.006 0.000 0.975 306 Q CA 1.322 57.122 55.803 -0.005 0.000 0.836 306 Q CB -0.679 28.057 28.738 -0.003 0.000 0.896 306 Q HN 0.588 nan 8.270 nan 0.000 0.428 307 H N 1.654 120.693 119.070 -0.053 0.000 2.321 307 H HA -0.111 4.445 4.556 -0.001 0.000 0.300 307 H C 1.764 177.063 175.328 -0.048 0.000 1.087 307 H CA 1.812 57.825 56.048 -0.057 0.000 1.319 307 H CB 0.368 30.101 29.762 -0.049 0.000 1.379 307 H HN 0.488 nan 8.280 nan 0.000 0.501 308 E N 0.472 120.661 120.200 -0.018 0.000 2.204 308 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 308 E C 2.401 178.944 176.600 -0.095 0.000 0.989 308 E CA 0.721 57.083 56.400 -0.063 0.000 0.824 308 E CB -0.443 29.274 29.700 0.028 0.000 0.756 308 E HN 0.326 nan 8.360 nan 0.000 0.477 309 L N 1.546 122.721 121.223 -0.080 0.000 2.046 309 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 309 L C 2.322 179.124 176.870 -0.113 0.000 1.077 309 L CA 1.256 56.049 54.840 -0.078 0.000 0.747 309 L CB -0.247 41.768 42.059 -0.073 0.000 0.896 309 L HN 0.023 nan 8.230 nan 0.000 0.432 310 V N -1.315 118.491 119.914 -0.181 0.000 2.295 310 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 310 V C 2.479 178.453 176.094 -0.201 0.000 1.049 310 V CA 1.646 63.816 62.300 -0.215 0.000 1.024 310 V CB -0.636 31.021 31.823 -0.277 0.000 0.648 310 V HN 0.337 nan 8.190 nan 0.000 0.447 311 V N -0.298 119.458 119.914 -0.262 0.000 2.332 311 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 311 V C 2.390 178.432 176.094 -0.086 0.000 1.055 311 V CA 1.951 64.139 62.300 -0.188 0.000 1.038 311 V CB -0.681 31.018 31.823 -0.207 0.000 0.651 311 V HN 0.473 nan 8.190 nan 0.000 0.450 312 L N 0.769 121.968 121.223 -0.040 0.000 2.131 312 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 312 L C 2.466 179.404 176.870 0.113 0.000 1.092 312 L CA 2.127 57.011 54.840 0.073 0.000 0.759 312 L CB -0.917 41.194 42.059 0.085 0.000 0.903 312 L HN 0.245 nan 8.230 nan 0.000 0.435 313 A N -0.592 122.247 122.820 0.031 0.000 1.933 313 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 313 A C 2.381 179.972 177.584 0.011 0.000 1.175 313 A CA 1.642 53.700 52.037 0.035 0.000 0.628 313 A CB -0.505 18.485 19.000 -0.018 0.000 0.814 313 A HN 0.483 nan 8.150 nan 0.000 0.444 314 R N -0.440 120.034 120.500 -0.043 0.000 2.120 314 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 314 R C 1.715 177.948 176.300 -0.111 0.000 1.123 314 R CA 1.265 57.325 56.100 -0.067 0.000 0.975 314 R CB -0.125 30.123 30.300 -0.086 0.000 0.866 314 R HN 0.331 nan 8.270 nan 0.000 0.446 315 K N -0.151 120.148 120.400 -0.168 0.000 2.186 315 K HA 0.041 4.361 4.320 -0.001 0.000 0.202 315 K C 0.080 176.291 176.600 -0.649 0.000 1.052 315 K CA 0.821 56.836 56.287 -0.453 0.000 0.965 315 K CB 0.287 32.412 32.500 -0.625 0.000 0.746 315 K HN 0.032 nan 8.250 nan 0.000 0.457 316 F N 0.634 120.593 119.950 0.015 0.000 2.539 316 F HA 0.129 4.656 4.527 -0.001 0.000 0.328 316 F C 1.091 176.936 175.800 0.075 0.000 1.148 316 F CA -0.820 57.207 58.000 0.044 0.000 0.940 316 F CB 1.810 40.836 39.000 0.043 0.000 1.194 316 F HN -0.148 nan 8.300 nan 0.000 0.438 317 S N 0.086 115.933 115.700 0.245 0.000 2.522 317 S HA -0.134 4.336 4.470 -0.001 0.000 0.227 317 S C 1.292 176.078 174.600 0.311 0.000 0.986 317 S CA 0.683 59.014 58.200 0.219 0.000 0.929 317 S CB -0.405 62.889 63.200 0.156 0.000 0.769 317 S HN 0.704 nan 8.310 nan 0.000 0.529 318 N N 1.102 120.013 118.700 0.352 0.000 2.398 318 N HA 0.125 4.864 4.740 -0.001 0.000 0.188 318 N C 0.233 176.064 175.510 0.534 0.000 1.122 318 N CA -0.144 53.155 53.050 0.416 0.000 0.866 318 N CB -0.359 38.335 38.487 0.345 0.000 0.970 318 N HN 0.431 nan 8.380 nan 0.000 0.462 322 F N 3.285 123.191 119.950 -0.073 0.000 2.565 322 F HA 1.011 5.538 4.527 -0.001 0.000 0.313 322 F C 0.216 176.057 175.800 0.069 0.000 1.091 322 F CA -0.144 57.843 58.000 -0.023 0.000 0.915 322 F CB 1.462 40.383 39.000 -0.131 0.000 1.208 322 F HN 1.273 nan 8.300 nan 0.000 0.453 323 G N 0.812 109.759 108.800 0.245 0.000 2.781 323 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.683 323 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.683 323 G C -1.405 173.571 174.900 0.127 0.000 1.390 323 G CA -0.719 44.576 45.100 0.325 0.000 0.850 323 G HN 1.321 nan 8.290 nan 0.000 0.557 324 C N 0.267 119.616 119.300 0.081 0.000 2.301 324 C HA 0.474 4.933 4.460 -0.001 0.000 0.313 324 C C 0.176 175.253 174.990 0.146 0.000 1.121 324 C CA -0.778 58.294 59.018 0.091 0.000 1.507 324 C CB -0.428 27.346 27.740 0.056 0.000 1.975 324 C HN 0.684 nan 8.230 nan 0.000 0.425 325 W N 4.945 126.265 121.300 0.033 0.000 2.356 325 W HA 0.428 5.087 4.660 -0.001 0.000 0.311 325 W C 0.629 177.276 176.519 0.213 0.000 1.328 325 W CA 0.118 57.542 57.345 0.133 0.000 1.251 325 W CB 0.029 29.576 29.460 0.145 0.000 1.280 325 W HN 0.878 nan 8.180 nan 0.000 0.524 326 W N 4.214 125.511 121.300 -0.005 0.000 2.207 326 W HA -0.388 4.271 4.660 -0.001 0.000 0.296 326 W C 0.051 176.384 176.519 -0.310 0.000 1.856 326 W CA 1.074 58.226 57.345 -0.321 0.000 2.040 326 W CB -2.257 26.587 29.460 -1.027 0.000 0.938 326 W HN 0.250 nan 8.180 nan 0.000 0.450 330 N N 0.359 119.143 118.700 0.140 0.000 2.225 330 N HA 0.386 5.125 4.740 -0.001 0.000 0.298 330 N C -2.125 173.441 175.510 0.093 0.000 1.076 330 N CA -1.096 52.034 53.050 0.133 0.000 0.792 330 N CB 2.518 41.075 38.487 0.116 0.000 1.498 330 N HN -0.060 nan 8.380 nan 0.000 0.474 331 P HA -0.180 nan 4.420 nan 0.000 0.216 331 P C 1.192 178.517 177.300 0.042 0.000 1.153 331 P CA 1.418 64.552 63.100 0.056 0.000 0.858 331 P CB 0.550 32.269 31.700 0.032 0.000 0.789 332 E N -0.299 119.921 120.200 0.034 0.000 2.097 332 E HA -0.183 4.167 4.350 -0.001 0.000 0.196 332 E C 1.815 178.430 176.600 0.024 0.000 1.000 332 E CA 1.431 57.845 56.400 0.023 0.000 0.804 332 E CB -0.998 28.711 29.700 0.015 0.000 0.740 332 E HN 0.193 nan 8.360 nan 0.000 0.454 333 I N -0.339 120.251 120.570 0.033 0.000 2.400 333 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 333 I C 2.241 178.380 176.117 0.037 0.000 1.109 333 I CA 0.535 61.853 61.300 0.031 0.000 1.425 333 I CB -0.195 37.828 38.000 0.038 0.000 1.094 333 I HN 0.100 nan 8.210 nan 0.000 0.425 334 I N 1.246 121.846 120.570 0.050 0.000 2.194 334 I HA -0.369 3.800 4.170 -0.001 0.000 0.246 334 I C 2.347 178.494 176.117 0.051 0.000 1.093 334 I CA 1.836 63.169 61.300 0.055 0.000 1.355 334 I CB -0.550 37.488 38.000 0.063 0.000 1.046 334 I HN 0.346 nan 8.210 nan 0.000 0.413 335 N N 0.824 119.550 118.700 0.043 0.000 2.084 335 N HA -0.179 4.561 4.740 -0.001 0.000 0.190 335 N C 0.955 176.480 175.510 0.025 0.000 1.030 335 N CA 1.010 54.082 53.050 0.038 0.000 0.849 335 N CB -0.109 38.397 38.487 0.031 0.000 1.012 335 N HN 0.513 nan 8.380 nan 0.000 0.423 346 G N 2.056 110.888 108.800 0.052 0.000 2.591 346 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.298 346 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.298 346 G C 0.654 175.658 174.900 0.173 0.000 1.195 346 G CA 1.032 46.173 45.100 0.068 0.000 0.989 346 G HN 0.395 nan 8.290 nan 0.000 0.551 347 T N -1.836 112.782 114.554 0.107 0.000 3.145 347 T HA 0.478 4.827 4.350 -0.001 0.000 0.255 347 T C 1.397 176.116 174.700 0.033 0.000 1.039 347 T CA 1.141 63.267 62.100 0.044 0.000 0.928 347 T CB 0.036 68.901 68.868 -0.004 0.000 1.029 347 T HN 1.629 nan 8.240 nan 0.000 0.554 348 S N 1.655 117.454 115.700 0.165 0.000 3.324 348 S HA 0.525 4.994 4.470 -0.001 0.000 0.229 348 S C -0.162 174.565 174.600 0.210 0.000 1.417 348 S CA -1.099 57.178 58.200 0.128 0.000 1.211 348 S CB -1.475 61.787 63.200 0.103 0.000 1.157 348 S HN 0.632 nan 8.310 nan 0.000 0.491 349 F N -2.055 117.868 119.950 -0.046 0.000 2.711 349 F HA 0.710 5.237 4.527 -0.001 0.000 0.313 349 F C -1.531 174.239 175.800 -0.051 0.000 1.141 349 F CA -2.101 55.864 58.000 -0.059 0.000 0.941 349 F CB 0.676 39.642 39.000 -0.057 0.000 1.349 349 F HN -0.053 nan 8.300 nan 0.000 0.464 350 I N 2.977 123.521 120.570 -0.043 0.000 2.337 350 I HA 0.314 4.484 4.170 -0.001 0.000 0.285 350 I C -1.732 174.396 176.117 0.019 0.000 1.041 350 I CA -1.867 59.373 61.300 -0.101 0.000 1.199 350 I CB 1.517 39.537 38.000 0.032 0.000 1.370 350 I HN 0.429 nan 8.210 nan 0.000 0.470 351 P HA -0.126 nan 4.420 nan 0.000 0.218 351 P C 0.255 177.627 177.300 0.121 0.000 1.149 351 P CA 1.250 64.377 63.100 0.045 0.000 0.817 351 P CB 0.340 31.935 31.700 -0.174 0.000 0.785 352 Q N -1.228 118.650 119.800 0.130 0.000 2.482 352 Q HA 0.354 4.693 4.340 -0.001 0.000 0.286 352 Q C -1.173 175.012 176.000 0.310 0.000 1.007 352 Q CA -0.753 55.136 55.803 0.144 0.000 0.801 352 Q CB 1.215 29.958 28.738 0.007 0.000 1.455 352 Q HN 0.237 nan 8.270 nan 0.000 0.398 353 H N -0.955 118.166 119.070 0.084 0.000 2.977 353 H HA 0.552 5.107 4.556 -0.001 0.000 0.350 353 H C -0.441 174.817 175.328 -0.117 0.000 1.238 353 H CA -0.149 55.975 56.048 0.126 0.000 1.124 353 H CB 1.374 31.273 29.762 0.228 0.000 1.866 353 H HN 0.648 nan 8.280 nan 0.000 0.550 354 S N -0.694 114.950 115.700 -0.093 0.000 2.456 354 S HA -0.050 4.419 4.470 -0.001 0.000 0.224 354 S C 0.227 174.784 174.600 -0.072 0.000 1.035 354 S CA 0.677 58.698 58.200 -0.297 0.000 0.940 354 S CB -0.288 62.763 63.200 -0.249 0.000 0.799 354 S HN 0.698 nan 8.310 nan 0.000 0.508 355 D N 1.578 122.117 120.400 0.231 0.000 2.911 355 D HA -0.141 4.499 4.640 -0.001 0.000 0.227 355 D C 0.240 176.677 176.300 0.228 0.000 1.164 355 D CA 0.984 55.209 54.000 0.375 0.000 0.782 355 D CB -1.582 39.506 40.800 0.481 0.000 1.094 355 D HN 0.781 nan 8.370 nan 0.000 0.425 356 A N 0.002 122.856 122.820 0.055 0.000 2.546 356 A HA 0.134 4.454 4.320 -0.001 0.000 0.243 356 A C 1.441 179.058 177.584 0.055 0.000 1.063 356 A CA 0.547 52.555 52.037 -0.048 0.000 0.757 356 A CB 0.403 19.356 19.000 -0.078 0.000 0.991 356 A HN 0.311 nan 8.150 nan 0.000 0.503 357 R N 1.430 121.929 120.500 -0.002 0.000 2.254 357 R HA 0.178 4.518 4.340 -0.001 0.000 0.193 357 R C -0.554 175.792 176.300 0.076 0.000 0.929 357 R CA 0.335 56.501 56.100 0.110 0.000 1.038 357 R CB 0.490 30.905 30.300 0.192 0.000 1.009 357 R HN 0.520 nan 8.270 nan 0.000 0.512 358 V N 1.876 121.759 119.914 -0.053 0.000 2.448 358 V HA 0.041 4.161 4.120 -0.001 0.000 0.295 358 V C 0.917 177.035 176.094 0.040 0.000 1.025 358 V CA -0.445 61.865 62.300 0.017 0.000 0.859 358 V CB 1.855 33.648 31.823 -0.049 0.000 0.988 358 V HN 0.061 nan 8.190 nan 0.000 0.431 359 L N 4.610 125.923 121.223 0.150 0.000 2.010 359 L HA -0.204 4.136 4.340 -0.001 0.000 0.219 359 L C 2.171 179.109 176.870 0.113 0.000 1.077 359 L CA 2.293 57.223 54.840 0.150 0.000 0.773 359 L CB -0.435 41.750 42.059 0.209 0.000 0.892 359 L HN 0.803 nan 8.230 nan 0.000 0.436 360 E N -0.624 119.667 120.200 0.152 0.000 2.265 360 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 360 E C 2.147 178.791 176.600 0.074 0.000 0.996 360 E CA 1.075 57.562 56.400 0.145 0.000 0.832 360 E CB -0.252 29.577 29.700 0.214 0.000 0.756 360 E HN 0.663 nan 8.360 nan 0.000 0.491 361 Q N -0.034 119.759 119.800 -0.012 0.000 2.291 361 Q HA -0.122 4.218 4.340 -0.001 0.000 0.206 361 Q C 1.940 177.775 176.000 -0.275 0.000 0.976 361 Q CA 0.690 56.384 55.803 -0.183 0.000 0.875 361 Q CB -0.163 28.354 28.738 -0.368 0.000 0.927 361 Q HN 0.365 nan 8.270 nan 0.000 0.450 362 L N 0.270 121.449 121.223 -0.073 0.000 2.081 362 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 362 L C 2.203 179.148 176.870 0.125 0.000 1.080 362 L CA 1.126 56.013 54.840 0.078 0.000 0.754 362 L CB -0.511 41.633 42.059 0.142 0.000 0.893 362 L HN 0.309 nan 8.230 nan 0.000 0.433 363 I N -0.852 119.762 120.570 0.074 0.000 2.142 363 I HA -0.346 3.823 4.170 -0.001 0.000 0.240 363 I C 2.657 178.834 176.117 0.101 0.000 1.078 363 I CA 1.844 63.208 61.300 0.106 0.000 1.343 363 I CB -0.531 37.522 38.000 0.089 0.000 1.046 363 I HN 0.295 nan 8.210 nan 0.000 0.405 364 Y N 1.443 121.689 120.300 -0.090 0.000 2.286 364 Y HA -0.012 4.538 4.550 -0.001 0.000 0.293 364 Y C 2.280 177.924 175.900 -0.425 0.000 1.124 364 Y CA 0.744 58.640 58.100 -0.339 0.000 1.178 364 Y CB -0.652 37.551 38.460 -0.429 0.000 1.010 364 Y HN -0.128 nan 8.280 nan 0.000 0.536 365 K N 0.322 120.236 120.400 -0.809 0.000 2.032 365 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 365 K C 1.765 178.043 176.600 -0.537 0.000 1.048 365 K CA 2.142 57.955 56.287 -0.791 0.000 0.927 365 K CB -0.938 31.012 32.500 -0.917 0.000 0.712 365 K HN 0.549 nan 8.250 nan 0.000 0.441 366 W N 0.273 121.522 121.300 -0.084 0.000 2.453 366 W HA -0.055 4.604 4.660 -0.001 0.000 0.289 366 W C 2.399 178.962 176.519 0.074 0.000 1.215 366 W CA 0.646 58.001 57.345 0.016 0.000 1.297 366 W CB -0.497 28.962 29.460 -0.001 0.000 1.113 366 W HN 0.338 nan 8.180 nan 0.000 0.551 367 H N -0.336 118.860 119.070 0.210 0.000 2.321 367 H HA -0.173 4.383 4.556 -0.001 0.000 0.300 367 H C 1.753 177.256 175.328 0.292 0.000 1.087 367 H CA 2.344 58.523 56.048 0.219 0.000 1.319 367 H CB -0.514 29.373 29.762 0.208 0.000 1.379 367 H HN 0.307 nan 8.280 nan 0.000 0.501 368 H N -0.578 118.566 119.070 0.123 0.000 2.353 368 H HA -0.062 4.494 4.556 -0.001 0.000 0.300 368 H C 2.566 177.898 175.328 0.007 0.000 1.090 368 H CA 0.936 57.019 56.048 0.059 0.000 1.327 368 H CB 0.402 30.277 29.762 0.188 0.000 1.383 368 H HN 0.283 nan 8.280 nan 0.000 0.508 369 S N 0.432 116.226 115.700 0.156 0.000 2.371 369 S HA -0.076 4.393 4.470 -0.001 0.000 0.224 369 S C 1.919 176.641 174.600 0.204 0.000 1.029 369 S CA 0.744 59.019 58.200 0.124 0.000 0.978 369 S CB 0.050 63.252 63.200 0.003 0.000 0.833 369 S HN 0.334 nan 8.310 nan 0.000 0.466 370 K N 1.500 122.050 120.400 0.249 0.000 2.063 370 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 370 K C 2.549 179.217 176.600 0.113 0.000 1.048 370 K CA 1.625 58.051 56.287 0.232 0.000 0.928 370 K CB -0.314 32.253 32.500 0.111 0.000 0.713 370 K HN 0.484 nan 8.250 nan 0.000 0.442 371 S N 1.013 116.711 115.700 -0.003 0.000 2.382 371 S HA -0.130 4.340 4.470 -0.001 0.000 0.228 371 S C 2.020 176.644 174.600 0.040 0.000 1.027 371 S CA 0.959 59.143 58.200 -0.027 0.000 0.991 371 S CB -0.509 62.610 63.200 -0.135 0.000 0.823 371 S HN 0.197 nan 8.310 nan 0.000 0.469 372 I N 1.343 121.951 120.570 0.063 0.000 2.233 372 I HA -0.076 4.094 4.170 -0.001 0.000 0.243 372 I C 2.435 178.616 176.117 0.106 0.000 1.093 372 I CA 1.194 62.539 61.300 0.076 0.000 1.380 372 I CB -0.414 37.630 38.000 0.075 0.000 1.067 372 I HN 0.250 nan 8.210 nan 0.000 0.413 373 I N 0.972 121.635 120.570 0.155 0.000 2.208 373 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 373 I C 2.830 179.052 176.117 0.175 0.000 1.097 373 I CA 1.399 62.810 61.300 0.185 0.000 1.363 373 I CB -0.529 37.644 38.000 0.287 0.000 1.051 373 I HN 0.192 nan 8.210 nan 0.000 0.413 374 A N 0.469 123.397 122.820 0.178 0.000 1.917 374 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 374 A C 2.222 179.879 177.584 0.120 0.000 1.182 374 A CA 2.017 54.145 52.037 0.152 0.000 0.633 374 A CB -0.676 18.394 19.000 0.116 0.000 0.819 374 A HN 0.467 nan 8.150 nan 0.000 0.448 375 E N -0.572 119.684 120.200 0.095 0.000 2.077 375 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 375 E C 2.001 178.643 176.600 0.070 0.000 0.989 375 E CA 1.310 57.755 56.400 0.076 0.000 0.800 375 E CB -0.254 29.481 29.700 0.059 0.000 0.746 375 E HN 0.419 nan 8.360 nan 0.000 0.452 376 V N 1.309 121.264 119.914 0.069 0.000 2.295 376 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 376 V C 2.311 178.418 176.094 0.021 0.000 1.049 376 V CA 1.457 63.786 62.300 0.049 0.000 1.024 376 V CB -0.437 31.423 31.823 0.061 0.000 0.648 376 V HN 0.265 nan 8.190 nan 0.000 0.447 377 L N -0.665 120.578 121.223 0.033 0.000 2.012 377 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 377 L C 2.371 179.266 176.870 0.042 0.000 1.073 377 L CA 1.768 56.583 54.840 -0.042 0.000 0.748 377 L CB -0.516 41.594 42.059 0.084 0.000 0.891 377 L HN 0.261 nan 8.230 nan 0.000 0.431 378 I N -0.289 120.370 120.570 0.148 0.000 2.163 378 I HA -0.330 3.840 4.170 -0.001 0.000 0.243 378 I C 2.099 178.294 176.117 0.130 0.000 1.085 378 I CA 1.329 62.740 61.300 0.185 0.000 1.347 378 I CB -0.404 37.677 38.000 0.135 0.000 1.044 378 I HN 0.275 nan 8.210 nan 0.000 0.408 379 D N 0.703 121.146 120.400 0.071 0.000 2.117 379 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 379 D C 2.197 178.517 176.300 0.034 0.000 0.987 379 D CA 1.215 55.245 54.000 0.050 0.000 0.829 379 D CB -0.088 40.731 40.800 0.031 0.000 0.961 379 D HN 0.118 nan 8.370 nan 0.000 0.460 380 K N -0.344 120.044 120.400 -0.021 0.000 2.062 380 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 380 K C 1.999 178.578 176.600 -0.035 0.000 1.051 380 K CA 0.623 56.865 56.287 -0.074 0.000 0.941 380 K CB -0.505 31.890 32.500 -0.174 0.000 0.719 380 K HN 0.181 nan 8.250 nan 0.000 0.440 381 Y N 1.215 121.551 120.300 0.061 0.000 2.145 381 Y HA -0.211 4.339 4.550 -0.001 0.000 0.286 381 Y C 2.143 178.090 175.900 0.079 0.000 1.145 381 Y CA 1.392 59.539 58.100 0.079 0.000 1.148 381 Y CB -0.827 37.687 38.460 0.089 0.000 0.981 381 Y HN 0.166 nan 8.280 nan 0.000 0.507 382 D N -0.018 120.518 120.400 0.226 0.000 2.133 382 D HA -0.193 4.446 4.640 -0.001 0.000 0.195 382 D C 1.608 177.979 176.300 0.117 0.000 0.997 382 D CA 1.774 55.861 54.000 0.147 0.000 0.840 382 D CB -0.196 40.668 40.800 0.107 0.000 0.947 382 D HN 0.217 nan 8.370 nan 0.000 0.452 383 D N -0.377 120.078 120.400 0.091 0.000 2.117 383 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 383 D C 2.192 178.536 176.300 0.074 0.000 0.987 383 D CA 1.042 55.080 54.000 0.062 0.000 0.829 383 D CB -0.353 40.465 40.800 0.029 0.000 0.961 383 D HN 0.578 nan 8.370 nan 0.000 0.460 384 I N -2.000 118.628 120.570 0.096 0.000 2.617 384 I HA -0.076 4.093 4.170 -0.001 0.000 0.256 384 I C 2.083 178.325 176.117 0.208 0.000 1.167 384 I CA 0.605 61.973 61.300 0.113 0.000 1.469 384 I CB -0.377 37.637 38.000 0.024 0.000 1.098 384 I HN -0.117 nan 8.210 nan 0.000 0.436 385 L N 0.818 122.167 121.223 0.210 0.000 2.046 385 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 385 L C 2.857 179.806 176.870 0.132 0.000 1.077 385 L CA 1.208 56.157 54.840 0.183 0.000 0.747 385 L CB -0.693 41.454 42.059 0.147 0.000 0.896 385 L HN 0.316 nan 8.230 nan 0.000 0.432 386 Q N -0.267 119.597 119.800 0.107 0.000 2.224 386 Q HA -0.098 4.241 4.340 -0.001 0.000 0.203 386 Q C 2.271 178.320 176.000 0.081 0.000 0.970 386 Q CA 1.491 57.342 55.803 0.080 0.000 0.865 386 Q CB -0.303 28.473 28.738 0.064 0.000 0.922 386 Q HN 0.531 nan 8.270 nan 0.000 0.445 387 A N -0.400 122.478 122.820 0.097 0.000 2.206 387 A HA 0.299 4.619 4.320 -0.001 0.000 0.211 387 A C 1.490 179.152 177.584 0.129 0.000 1.158 387 A CA 1.167 53.262 52.037 0.096 0.000 0.761 387 A CB -0.093 18.955 19.000 0.080 0.000 0.801 387 A HN 0.433 nan 8.150 nan 0.000 0.473 388 G N -3.040 105.850 108.800 0.150 0.000 2.184 388 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.206 388 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.206 388 G C 0.022 175.042 174.900 0.199 0.000 0.995 388 G CA -0.072 45.113 45.100 0.142 0.000 0.651 388 G HN 0.567 nan 8.290 nan 0.000 0.511 389 W N 1.677 122.998 121.300 0.036 0.000 2.202 389 W HA 0.590 5.249 4.660 -0.001 0.000 0.332 389 W C -0.352 176.187 176.519 0.034 0.000 1.263 389 W CA 0.061 57.429 57.345 0.039 0.000 1.223 389 W CB 0.693 30.186 29.460 0.055 0.000 1.128 389 W HN 0.167 nan 8.180 nan 0.000 0.573 390 E N 3.240 123.203 120.200 -0.395 0.000 2.113 390 E HA 0.212 4.561 4.350 -0.001 0.000 0.273 390 E C -0.773 175.644 176.600 -0.304 0.000 0.924 390 E CA -0.524 55.717 56.400 -0.265 0.000 0.764 390 E CB 1.863 31.411 29.700 -0.255 0.000 1.104 390 E HN 0.090 nan 8.360 nan 0.000 0.406 391 V N 3.548 123.440 119.914 -0.038 0.000 2.465 391 V HA 0.191 4.311 4.120 -0.001 0.000 0.279 391 V C 0.653 176.699 176.094 -0.079 0.000 1.045 391 V CA -0.549 61.754 62.300 0.005 0.000 0.938 391 V CB 1.190 33.014 31.823 0.001 0.000 0.986 391 V HN 0.755 nan 8.190 nan 0.000 0.467 392 T N 0.382 114.894 114.554 -0.071 0.000 2.918 392 T HA 0.329 4.678 4.350 -0.001 0.000 0.283 392 T C 0.934 175.587 174.700 -0.077 0.000 1.001 392 T CA -0.322 61.736 62.100 -0.070 0.000 1.041 392 T CB 1.642 70.479 68.868 -0.052 0.000 1.028 392 T HN 0.721 nan 8.240 nan 0.000 0.511 393 E N 0.194 120.355 120.200 -0.064 0.000 2.110 393 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 393 E C 1.815 178.396 176.600 -0.032 0.000 0.988 393 E CA 1.149 57.515 56.400 -0.057 0.000 0.804 393 E CB -0.003 29.674 29.700 -0.039 0.000 0.745 393 E HN 0.669 nan 8.360 nan 0.000 0.458 394 E N 0.541 120.730 120.200 -0.018 0.000 2.150 394 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 394 E C 1.870 178.482 176.600 0.020 0.000 0.985 394 E CA 1.008 57.409 56.400 0.002 0.000 0.814 394 E CB -0.046 29.656 29.700 0.003 0.000 0.752 394 E HN 0.465 nan 8.360 nan 0.000 0.466 395 E N 0.306 120.517 120.200 0.019 0.000 2.107 395 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 395 E C 2.241 178.886 176.600 0.075 0.000 0.982 395 E CA 0.494 56.931 56.400 0.062 0.000 0.809 395 E CB -0.048 29.705 29.700 0.089 0.000 0.756 395 E HN 0.222 nan 8.360 nan 0.000 0.459 396 I N 1.351 121.914 120.570 -0.012 0.000 2.163 396 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 396 I C 2.262 178.437 176.117 0.097 0.000 1.085 396 I CA 1.313 62.616 61.300 0.006 0.000 1.347 396 I CB -0.274 37.637 38.000 -0.149 0.000 1.044 396 I HN 0.031 nan 8.210 nan 0.000 0.408 397 K N 0.345 120.778 120.400 0.055 0.000 2.063 397 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 397 K C 2.286 178.937 176.600 0.085 0.000 1.048 397 K CA 1.374 57.699 56.287 0.063 0.000 0.928 397 K CB -0.292 32.228 32.500 0.034 0.000 0.713 397 K HN 0.266 nan 8.250 nan 0.000 0.442 398 R N 1.337 121.886 120.500 0.083 0.000 2.080 398 R HA -0.184 4.156 4.340 -0.001 0.000 0.236 398 R C 1.464 177.833 176.300 0.114 0.000 1.137 398 R CA 2.165 58.319 56.100 0.090 0.000 0.943 398 R CB -0.215 30.137 30.300 0.085 0.000 0.846 398 R HN 0.157 nan 8.270 nan 0.000 0.431 399 D N 0.072 120.561 120.400 0.148 0.000 2.117 399 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 399 D C 2.014 178.403 176.300 0.148 0.000 0.987 399 D CA 1.213 55.307 54.000 0.157 0.000 0.829 399 D CB -0.196 40.752 40.800 0.246 0.000 0.961 399 D HN 0.138 nan 8.370 nan 0.000 0.460 400 V N 1.528 121.560 119.914 0.196 0.000 2.358 400 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 400 V C 2.572 178.826 176.094 0.267 0.000 1.047 400 V CA 1.722 64.180 62.300 0.263 0.000 1.035 400 V CB -0.768 31.201 31.823 0.243 0.000 0.658 400 V HN 0.179 nan 8.190 nan 0.000 0.452 401 A N -0.229 122.693 122.820 0.170 0.000 1.933 401 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 401 A C 2.002 179.668 177.584 0.135 0.000 1.175 401 A CA 1.958 54.084 52.037 0.149 0.000 0.628 401 A CB -0.627 18.434 19.000 0.102 0.000 0.814 401 A HN 0.529 nan 8.150 nan 0.000 0.444 402 D N 0.152 120.611 120.400 0.098 0.000 2.106 402 D HA -0.161 4.478 4.640 -0.001 0.000 0.191 402 D C 1.935 178.227 176.300 -0.013 0.000 0.997 402 D CA 1.383 55.415 54.000 0.054 0.000 0.834 402 D CB -0.377 40.443 40.800 0.034 0.000 0.956 402 D HN 0.464 nan 8.370 nan 0.000 0.448 403 L N -0.843 120.334 121.223 -0.076 0.000 2.056 403 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 403 L C 2.042 178.699 176.870 -0.355 0.000 1.078 403 L CA 0.817 55.466 54.840 -0.319 0.000 0.749 403 L CB -0.243 41.535 42.059 -0.467 0.000 0.901 403 L HN -0.032 nan 8.230 nan 0.000 0.433 404 F N -2.396 117.539 119.950 -0.025 0.000 2.776 404 F HA 0.064 4.590 4.527 -0.001 0.000 0.300 404 F C 2.040 177.815 175.800 -0.043 0.000 1.116 404 F CA 0.425 58.400 58.000 -0.041 0.000 1.375 404 F CB 0.535 39.492 39.000 -0.071 0.000 1.109 404 F HN -0.043 nan 8.300 nan 0.000 0.585 405 S N -1.223 114.570 115.700 0.155 0.000 3.798 405 S HA 0.122 4.591 4.470 -0.001 0.000 0.227 405 S C 1.761 176.539 174.600 0.297 0.000 1.126 405 S CA -0.182 58.148 58.200 0.217 0.000 1.030 405 S CB -0.207 63.137 63.200 0.239 0.000 1.189 405 S HN 0.065 nan 8.310 nan 0.000 0.464 406 R N 1.515 122.154 120.500 0.233 0.000 2.090 406 R HA 0.140 4.480 4.340 -0.001 0.000 0.228 406 R C 1.649 178.063 176.300 0.190 0.000 1.110 406 R CA 1.509 57.753 56.100 0.240 0.000 0.973 406 R CB -0.339 30.055 30.300 0.158 0.000 0.869 406 R HN 0.357 nan 8.270 nan 0.000 0.440 407 N N 0.669 119.437 118.700 0.115 0.000 2.149 407 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 407 N C 1.400 176.967 175.510 0.095 0.000 1.019 407 N CA 1.163 54.260 53.050 0.079 0.000 0.857 407 N CB -0.322 38.164 38.487 -0.000 0.000 0.997 407 N HN 0.120 nan 8.380 nan 0.000 0.426 408 F N -0.013 119.877 119.950 -0.100 0.000 2.060 408 F HA -0.113 4.413 4.527 -0.001 0.000 0.295 408 F C 1.862 177.542 175.800 -0.200 0.000 1.120 408 F CA 1.359 59.215 58.000 -0.241 0.000 1.205 408 F CB -0.693 38.006 39.000 -0.501 0.000 0.986 408 F HN 0.029 nan 8.300 nan 0.000 0.470 409 W N 0.666 121.960 121.300 -0.010 0.000 2.363 409 W HA -0.110 4.549 4.660 -0.001 0.000 0.296 409 W C 2.787 179.229 176.519 -0.129 0.000 1.212 409 W CA 1.425 58.683 57.345 -0.146 0.000 1.260 409 W CB -0.564 28.891 29.460 -0.008 0.000 1.131 409 W HN -0.050 nan 8.180 nan 0.000 0.530 410 R N -0.163 120.431 120.500 0.156 0.000 2.081 410 R HA -0.218 4.121 4.340 -0.001 0.000 0.235 410 R C 2.146 178.482 176.300 0.060 0.000 1.131 410 R CA 1.861 58.024 56.100 0.105 0.000 0.960 410 R CB -0.878 29.494 30.300 0.120 0.000 0.856 410 R HN 0.188 nan 8.270 nan 0.000 0.436 411 F N 0.953 120.828 119.950 -0.125 0.000 2.113 411 F HA -0.143 4.384 4.527 -0.001 0.000 0.297 411 F C 2.002 177.683 175.800 -0.200 0.000 1.103 411 F CA 1.621 59.534 58.000 -0.146 0.000 1.248 411 F CB -0.171 38.737 39.000 -0.153 0.000 0.999 411 F HN -0.032 nan 8.300 nan 0.000 0.475 412 V N -1.222 118.534 119.914 -0.263 0.000 3.380 412 V HA 0.293 4.412 4.120 -0.001 0.000 0.268 412 V C 1.312 177.306 176.094 -0.168 0.000 1.168 412 V CA 0.677 62.795 62.300 -0.304 0.000 1.156 412 V CB -1.153 30.375 31.823 -0.492 0.000 0.785 412 V HN 0.695 nan 8.190 nan 0.000 0.487 413 G N 0.307 109.045 108.800 -0.103 0.000 2.326 413 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.286 413 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.286 413 G C -0.188 174.724 174.900 0.020 0.000 1.096 413 G CA 0.406 45.480 45.100 -0.044 0.000 1.003 413 G HN 0.855 nan 8.290 nan 0.000 0.503 414 R N -0.960 119.598 120.500 0.096 0.000 2.752 414 R HA 0.598 4.937 4.340 -0.001 0.000 0.271 414 R C -0.999 175.340 176.300 0.065 0.000 1.026 414 R CA -0.960 55.224 56.100 0.139 0.000 0.901 414 R CB 0.702 31.191 30.300 0.314 0.000 1.243 414 R HN 0.158 nan 8.270 nan 0.000 0.463 415 N N 0.691 119.303 118.700 -0.147 0.000 2.430 415 N HA 0.183 4.922 4.740 -0.001 0.000 0.292 415 N C -1.111 173.840 175.510 -0.932 0.000 1.051 415 N CA -0.527 52.293 53.050 -0.384 0.000 0.917 415 N CB 1.262 39.621 38.487 -0.215 0.000 1.164 415 N HN 0.584 nan 8.380 nan 0.000 0.484 416 D N -0.619 119.035 120.400 -1.244 0.000 2.393 416 D HA -0.052 4.587 4.640 -0.001 0.000 0.246 416 D C 1.240 177.287 176.300 -0.421 0.000 1.275 416 D CA 0.102 53.321 54.000 -1.301 0.000 0.979 416 D CB 0.407 40.630 40.800 -0.962 0.000 1.101 416 D HN 0.556 nan 8.370 nan 0.000 0.505 417 H N -0.688 118.265 119.070 -0.196 0.000 2.319 417 H HA -0.134 4.422 4.556 -0.001 0.000 0.299 417 H C 1.660 176.929 175.328 -0.098 0.000 1.092 417 H CA 1.837 57.844 56.048 -0.068 0.000 1.302 417 H CB 0.122 29.877 29.762 -0.013 0.000 1.373 417 H HN 0.206 nan 8.280 nan 0.000 0.497 418 V N 0.698 120.424 119.914 -0.314 0.000 2.358 418 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 418 V C 2.625 178.571 176.094 -0.247 0.000 1.047 418 V CA 2.045 64.138 62.300 -0.344 0.000 1.035 418 V CB -0.740 30.965 31.823 -0.197 0.000 0.658 418 V HN 0.526 nan 8.190 nan 0.000 0.452 419 T N -0.320 114.107 114.554 -0.212 0.000 2.746 419 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 419 T C 2.146 176.754 174.700 -0.153 0.000 1.039 419 T CA 1.881 63.879 62.100 -0.171 0.000 1.142 419 T CB -0.274 68.482 68.868 -0.187 0.000 0.866 419 T HN 0.462 nan 8.240 nan 0.000 0.444 420 S N 0.783 116.383 115.700 -0.165 0.000 2.368 420 S HA -0.046 4.424 4.470 -0.001 0.000 0.225 420 S C 2.575 177.119 174.600 -0.093 0.000 1.030 420 S CA 1.196 59.334 58.200 -0.103 0.000 0.999 420 S CB -0.852 62.317 63.200 -0.051 0.000 0.844 420 S HN 0.559 nan 8.310 nan 0.000 0.459 421 V N 1.610 121.431 119.914 -0.154 0.000 2.407 421 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 421 V C 2.455 178.488 176.094 -0.102 0.000 1.055 421 V CA 2.707 64.922 62.300 -0.141 0.000 1.049 421 V CB -1.612 30.064 31.823 -0.245 0.000 0.662 421 V HN 0.522 nan 8.190 nan 0.000 0.455 422 K N -0.075 120.260 120.400 -0.109 0.000 2.025 422 K HA 0.374 4.694 4.320 -0.001 0.000 0.207 422 K C 1.638 178.202 176.600 -0.059 0.000 1.049 422 K CA 1.644 57.885 56.287 -0.078 0.000 0.933 422 K CB -1.722 30.730 32.500 -0.080 0.000 0.714 422 K HN 1.640 nan 8.250 nan 0.000 0.438 423 V N 0.000 119.878 119.914 -0.061 0.000 2.409 423 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 423 V CA 0.000 62.274 62.300 -0.044 0.000 1.235 423 V CB 0.000 31.797 31.823 -0.043 0.000 1.184 423 V HN 0.000 nan 8.190 nan 0.000 0.556