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 1gk0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAD SFDDYEAALA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQLSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.263 174.600 -0.562 0.000 1.055 1 S CA 0.000 57.790 58.200 -0.683 0.000 1.107 1 S CB 0.000 63.068 63.200 -0.220 0.000 0.593 2 N N 1.324 119.618 118.700 -0.676 0.000 2.328 2 N HA 0.812 5.552 4.740 -0.000 0.000 0.299 2 N C -1.226 174.116 175.510 -0.279 0.000 1.179 2 N CA -0.689 52.057 53.050 -0.506 0.000 0.793 2 N CB 2.013 39.950 38.487 -0.916 0.000 1.366 2 N HN 0.788 nan 8.380 nan 0.000 0.493 3 S N -0.298 115.322 115.700 -0.134 0.000 2.626 3 S HA 0.577 5.047 4.470 -0.000 0.000 0.275 3 S C -1.906 172.863 174.600 0.282 0.000 1.175 3 S CA -0.947 57.293 58.200 0.068 0.000 0.982 3 S CB 0.927 64.235 63.200 0.180 0.000 1.093 3 S HN 0.441 nan 8.310 nan 0.000 0.472 4 W N 1.377 122.831 121.300 0.257 0.000 2.915 4 W HA 0.810 5.469 4.660 -0.000 0.000 0.337 4 W C -0.487 176.235 176.519 0.337 0.000 1.102 4 W CA -1.205 56.331 57.345 0.318 0.000 1.224 4 W CB 2.207 31.878 29.460 0.353 0.000 1.416 4 W HN 1.096 nan 8.180 nan 0.000 0.503 5 A N 2.521 125.645 122.820 0.506 0.000 2.375 5 A HA 0.776 5.095 4.320 -0.000 0.000 0.295 5 A C -1.646 176.066 177.584 0.214 0.000 1.066 5 A CA -0.558 51.659 52.037 0.301 0.000 0.722 5 A CB 1.252 20.403 19.000 0.252 0.000 1.206 5 A HN 0.263 nan 8.150 nan 0.000 0.435 6 V N 2.108 122.057 119.914 0.058 0.000 2.448 6 V HA 0.679 4.799 4.120 -0.000 0.000 0.295 6 V C 0.807 176.885 176.094 -0.026 0.000 1.025 6 V CA -0.373 61.926 62.300 -0.003 0.000 0.859 6 V CB 1.345 33.061 31.823 -0.179 0.000 0.988 6 V HN 1.244 nan 8.190 nan 0.000 0.431 7 A N 6.213 129.036 122.820 0.004 0.000 2.366 7 A HA 0.541 4.861 4.320 -0.000 0.000 0.249 7 A C -1.401 176.161 177.584 -0.036 0.000 1.084 7 A CA -1.026 51.000 52.037 -0.019 0.000 0.794 7 A CB 0.052 19.045 19.000 -0.011 0.000 1.034 7 A HN 0.698 nan 8.150 nan 0.000 0.491 8 P HA -0.164 nan 4.420 nan 0.000 0.216 8 P C 1.664 178.942 177.300 -0.037 0.000 1.153 8 P CA 2.098 65.175 63.100 -0.040 0.000 0.858 8 P CB 0.048 31.729 31.700 -0.032 0.000 0.789 9 G N -0.285 108.498 108.800 -0.028 0.000 2.462 9 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 9 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 9 G C 1.500 176.386 174.900 -0.024 0.000 1.121 9 G CA 0.705 45.792 45.100 -0.023 0.000 0.758 9 G HN 0.311 nan 8.290 nan 0.000 0.559 10 K N 0.488 120.873 120.400 -0.025 0.000 2.404 10 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 10 K C 0.792 177.354 176.600 -0.062 0.000 1.023 10 K CA 0.440 56.708 56.287 -0.031 0.000 1.094 10 K CB 0.120 32.617 32.500 -0.006 0.000 0.841 10 K HN 0.428 nan 8.250 nan 0.000 0.523 11 T N -4.364 110.149 114.554 -0.068 0.000 2.948 11 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 11 T C 1.031 175.693 174.700 -0.064 0.000 1.019 11 T CA -0.533 61.516 62.100 -0.085 0.000 1.013 11 T CB 1.839 70.642 68.868 -0.107 0.000 1.117 11 T HN -0.032 nan 8.240 nan 0.000 0.533 12 A N 1.126 123.908 122.820 -0.064 0.000 1.898 12 A HA 0.085 4.404 4.320 -0.000 0.000 0.214 12 A C 1.987 179.545 177.584 -0.044 0.000 1.183 12 A CA 0.619 52.626 52.037 -0.050 0.000 0.622 12 A CB -0.717 18.253 19.000 -0.049 0.000 0.824 12 A HN 0.777 nan 8.150 nan 0.000 0.444 13 N N -0.824 117.847 118.700 -0.048 0.000 2.353 13 N HA 0.177 4.917 4.740 -0.000 0.000 0.185 13 N C 1.048 176.538 175.510 -0.034 0.000 1.098 13 N CA 0.999 54.026 53.050 -0.039 0.000 0.872 13 N CB 0.436 38.899 38.487 -0.040 0.000 0.970 13 N HN 0.640 nan 8.380 nan 0.000 0.467 14 G N 0.609 109.385 108.800 -0.040 0.000 2.136 14 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 14 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 14 G C -0.464 174.419 174.900 -0.028 0.000 0.989 14 G CA -0.231 44.850 45.100 -0.032 0.000 0.682 14 G HN 0.448 nan 8.290 nan 0.000 0.522 15 N N 0.247 118.925 118.700 -0.036 0.000 2.321 15 N HA 0.676 5.416 4.740 -0.000 0.000 0.299 15 N C 0.314 175.806 175.510 -0.029 0.000 1.048 15 N CA -0.199 52.842 53.050 -0.014 0.000 0.836 15 N CB 1.638 40.121 38.487 -0.007 0.000 1.269 15 N HN 0.559 nan 8.380 nan 0.000 0.486 16 A N 2.082 124.912 122.820 0.016 0.000 2.483 16 A HA 0.279 4.599 4.320 -0.000 0.000 0.238 16 A C -0.285 177.307 177.584 0.013 0.000 1.070 16 A CA 0.143 52.184 52.037 0.007 0.000 0.770 16 A CB -0.051 18.954 19.000 0.008 0.000 1.008 16 A HN 0.625 nan 8.150 nan 0.000 0.497 17 L N 1.584 122.713 121.223 -0.156 0.000 2.346 17 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 17 L C -0.625 176.146 176.870 -0.165 0.000 1.007 17 L CA -0.815 53.794 54.840 -0.385 0.000 0.818 17 L CB 1.647 43.060 42.059 -1.076 0.000 1.284 17 L HN 0.675 nan 8.230 nan 0.000 0.424 18 L N 3.260 124.479 121.223 -0.006 0.000 2.408 18 L HA 0.667 5.007 4.340 -0.000 0.000 0.268 18 L C -1.560 175.527 176.870 0.362 0.000 0.986 18 L CA -0.477 54.509 54.840 0.244 0.000 0.820 18 L CB 2.079 44.309 42.059 0.284 0.000 1.303 18 L HN 0.479 nan 8.230 nan 0.000 0.411 19 L N 3.861 125.338 121.223 0.423 0.000 2.349 19 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 19 L C -1.122 175.813 176.870 0.107 0.000 0.996 19 L CA 0.064 55.039 54.840 0.225 0.000 0.825 19 L CB 1.766 43.901 42.059 0.126 0.000 1.243 19 L HN 0.717 nan 8.230 nan 0.000 0.412 20 Q N 4.645 124.458 119.800 0.021 0.000 2.325 20 Q HA 0.386 4.725 4.340 -0.000 0.000 0.262 20 Q C -0.621 175.255 176.000 -0.206 0.000 0.968 20 Q CA -0.078 55.769 55.803 0.073 0.000 0.877 20 Q CB 1.257 30.157 28.738 0.270 0.000 1.253 20 Q HN 0.725 nan 8.270 nan 0.000 0.448 21 N N 2.777 121.335 118.700 -0.236 0.000 2.651 21 N HA 0.165 4.905 4.740 -0.000 0.000 0.277 21 N C -2.709 172.494 175.510 -0.511 0.000 1.787 21 N CA -1.290 51.512 53.050 -0.414 0.000 0.818 21 N CB 1.022 39.224 38.487 -0.476 0.000 1.316 21 N HN 0.343 nan 8.380 nan 0.000 0.503 22 P HA 0.058 nan 4.420 nan 0.000 0.271 22 P C -1.109 176.042 177.300 -0.248 0.000 1.216 22 P CA 0.511 63.379 63.100 -0.386 0.000 0.776 22 P CB 0.857 32.191 31.700 -0.611 0.000 0.881 23 H N 1.860 120.827 119.070 -0.172 0.000 2.511 23 H HA 0.543 5.099 4.556 -0.000 0.000 0.328 23 H C -0.267 174.916 175.328 -0.242 0.000 1.044 23 H CA -0.865 54.993 56.048 -0.317 0.000 1.212 23 H CB 1.264 30.804 29.762 -0.371 0.000 1.428 23 H HN 0.251 nan 8.280 nan 0.000 0.483 24 L N 1.094 122.254 121.223 -0.105 0.000 2.600 24 L HA 0.261 4.601 4.340 -0.000 0.000 0.257 24 L C -0.137 176.854 176.870 0.201 0.000 1.048 24 L CA -0.577 54.264 54.840 0.002 0.000 0.869 24 L CB 2.302 44.313 42.059 -0.079 0.000 1.482 24 L HN 0.558 nan 8.230 nan 0.000 0.408 25 S N 0.234 116.110 115.700 0.294 0.000 2.558 25 S HA -0.000 4.470 4.470 -0.000 0.000 0.288 25 S C 0.106 175.004 174.600 0.497 0.000 1.318 25 S CA 0.336 58.768 58.200 0.386 0.000 1.056 25 S CB 0.175 63.586 63.200 0.352 0.000 0.853 25 S HN 0.451 nan 8.310 nan 0.000 0.505 26 W N 2.349 123.752 121.300 0.172 0.000 3.139 26 W HA 0.166 4.826 4.660 -0.000 0.000 0.260 26 W C 2.287 178.830 176.519 0.040 0.000 1.312 26 W CA 0.559 58.026 57.345 0.204 0.000 1.606 26 W CB -0.969 28.630 29.460 0.232 0.000 1.118 26 W HN 0.960 nan 8.180 nan 0.000 0.675 27 T N -6.133 108.557 114.554 0.227 0.000 3.019 27 T HA 0.088 4.437 4.350 -0.000 0.000 0.247 27 T C 0.918 175.594 174.700 -0.040 0.000 0.992 27 T CA 0.172 62.318 62.100 0.077 0.000 1.036 27 T CB -0.437 68.485 68.868 0.091 0.000 1.063 27 T HN -0.283 nan 8.240 nan 0.000 0.476 28 T N 4.562 119.087 114.554 -0.047 0.000 2.778 28 T HA 0.076 4.425 4.350 -0.000 0.000 0.282 28 T C 1.066 175.551 174.700 -0.358 0.000 0.983 28 T CA 0.554 62.492 62.100 -0.271 0.000 1.193 28 T CB 0.540 69.183 68.868 -0.375 0.000 0.938 28 T HN 0.571 nan 8.240 nan 0.000 0.523 29 D N 3.761 123.948 120.400 -0.354 0.000 2.126 29 D HA -0.281 4.359 4.640 -0.000 0.000 0.190 29 D C 1.635 177.799 176.300 -0.227 0.000 1.001 29 D CA 1.837 55.686 54.000 -0.253 0.000 0.841 29 D CB -0.765 39.937 40.800 -0.163 0.000 0.949 29 D HN 0.849 nan 8.370 nan 0.000 0.446 30 Y N -2.110 118.081 120.300 -0.181 0.000 2.632 30 Y HA 0.214 4.763 4.550 -0.000 0.000 0.301 30 Y C 1.087 176.924 175.900 -0.104 0.000 1.172 30 Y CA -0.252 57.739 58.100 -0.183 0.000 1.328 30 Y CB -0.701 37.612 38.460 -0.245 0.000 1.016 30 Y HN -0.144 nan 8.280 nan 0.000 0.529 31 F N 0.462 120.290 119.950 -0.204 0.000 2.695 31 F HA 0.250 4.777 4.527 -0.000 0.000 0.303 31 F C 0.502 176.100 175.800 -0.335 0.000 1.091 31 F CA -1.110 56.769 58.000 -0.202 0.000 1.300 31 F CB -0.532 38.378 39.000 -0.150 0.000 1.071 31 F HN -0.179 nan 8.300 nan 0.000 0.578 32 T N 1.370 115.865 114.554 -0.099 0.000 2.799 32 T HA 0.080 4.430 4.350 -0.000 0.000 0.296 32 T C -0.494 174.173 174.700 -0.055 0.000 0.947 32 T CA 0.333 62.348 62.100 -0.143 0.000 1.141 32 T CB 0.026 68.783 68.868 -0.184 0.000 0.891 32 T HN -0.116 nan 8.240 nan 0.000 0.533 33 Y N 2.264 122.726 120.300 0.271 0.000 2.310 33 Y HA 0.442 4.992 4.550 -0.000 0.000 0.326 33 Y C -0.075 175.961 175.900 0.227 0.000 1.151 33 Y CA -0.983 57.236 58.100 0.197 0.000 1.195 33 Y CB 0.729 39.255 38.460 0.109 0.000 1.210 33 Y HN 0.596 nan 8.280 nan 0.000 0.483 34 Y N 2.265 122.642 120.300 0.128 0.000 2.391 34 Y HA 0.360 4.910 4.550 -0.000 0.000 0.341 34 Y C -0.666 175.127 175.900 -0.178 0.000 0.965 34 Y CA -1.555 56.543 58.100 -0.003 0.000 1.067 34 Y CB 1.370 39.820 38.460 -0.016 0.000 1.199 34 Y HN 0.676 nan 8.280 nan 0.000 0.450 35 E N 4.237 124.031 120.200 -0.676 0.000 2.227 35 E HA 0.733 5.083 4.350 -0.000 0.000 0.282 35 E C -1.453 174.564 176.600 -0.971 0.000 1.015 35 E CA -0.457 55.453 56.400 -0.817 0.000 0.823 35 E CB 0.850 30.203 29.700 -0.579 0.000 1.081 35 E HN 0.821 nan 8.360 nan 0.000 0.396 36 A N 4.272 126.601 122.820 -0.819 0.000 2.602 36 A HA 0.423 4.742 4.320 -0.000 0.000 0.290 36 A C -1.854 175.333 177.584 -0.663 0.000 1.114 36 A CA -0.614 51.042 52.037 -0.636 0.000 0.683 36 A CB 1.533 20.295 19.000 -0.397 0.000 1.281 36 A HN 0.813 nan 8.150 nan 0.000 0.416 37 H N 0.358 119.127 119.070 -0.501 0.000 2.840 37 H HA 0.622 5.178 4.556 -0.000 0.000 0.340 37 H C -2.084 173.178 175.328 -0.111 0.000 1.004 37 H CA -0.690 55.150 56.048 -0.348 0.000 1.288 37 H CB 1.014 30.665 29.762 -0.184 0.000 1.607 37 H HN 0.443 nan 8.280 nan 0.000 0.522 38 L N 5.941 127.189 121.223 0.041 0.000 2.325 38 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 38 L C -0.877 175.937 176.870 -0.094 0.000 1.004 38 L CA -0.606 54.233 54.840 -0.002 0.000 0.823 38 L CB 1.784 43.974 42.059 0.218 0.000 1.236 38 L HN 0.387 nan 8.230 nan 0.000 0.415 39 V N 2.375 122.133 119.914 -0.260 0.000 2.531 39 V HA 0.733 4.853 4.120 -0.000 0.000 0.301 39 V C -0.070 175.813 176.094 -0.352 0.000 1.034 39 V CA -0.353 61.770 62.300 -0.296 0.000 0.865 39 V CB 2.062 33.710 31.823 -0.291 0.000 0.995 39 V HN 0.784 nan 8.190 nan 0.000 0.424 40 T N 5.149 119.396 114.554 -0.512 0.000 2.865 40 T HA 0.452 4.802 4.350 -0.000 0.000 0.294 40 T C -2.093 172.435 174.700 -0.287 0.000 1.119 40 T CA -1.117 60.691 62.100 -0.486 0.000 1.007 40 T CB 2.318 70.616 68.868 -0.951 0.000 1.225 40 T HN 0.413 nan 8.240 nan 0.000 0.515 41 P HA 0.042 nan 4.420 nan 0.000 0.222 41 P C 0.487 177.765 177.300 -0.038 0.000 1.147 41 P CA 0.897 63.952 63.100 -0.074 0.000 0.790 41 P CB 0.269 31.947 31.700 -0.036 0.000 0.780 42 D N -2.026 118.351 120.400 -0.038 0.000 2.407 42 D HA 0.151 4.791 4.640 -0.000 0.000 0.208 42 D C 0.409 176.826 176.300 0.195 0.000 1.083 42 D CA 0.369 54.422 54.000 0.089 0.000 0.844 42 D CB 0.523 41.428 40.800 0.175 0.000 0.967 42 D HN 0.248 nan 8.370 nan 0.000 0.506 43 F N -0.256 119.731 119.950 0.061 0.000 2.773 43 F HA 0.565 5.092 4.527 -0.000 0.000 0.314 43 F C -1.759 174.078 175.800 0.062 0.000 1.160 43 F CA -1.247 56.783 58.000 0.049 0.000 0.920 43 F CB 1.584 40.598 39.000 0.024 0.000 1.323 43 F HN -0.303 nan 8.300 nan 0.000 0.457 44 E N 2.221 122.667 120.200 0.410 0.000 2.304 44 E HA 0.701 5.050 4.350 -0.000 0.000 0.277 44 E C -1.907 174.900 176.600 0.346 0.000 0.898 44 E CA -0.904 55.679 56.400 0.305 0.000 0.764 44 E CB 2.705 32.527 29.700 0.204 0.000 1.216 44 E HN 0.903 nan 8.360 nan 0.000 0.419 45 I N 1.079 121.854 120.570 0.341 0.000 2.607 45 I HA 0.568 4.738 4.170 -0.000 0.000 0.290 45 I C -1.858 174.343 176.117 0.140 0.000 1.129 45 I CA -1.030 60.391 61.300 0.202 0.000 1.042 45 I CB 1.671 39.777 38.000 0.176 0.000 1.242 45 I HN 0.540 nan 8.210 nan 0.000 0.421 46 Y N 4.176 124.330 120.300 -0.244 0.000 2.462 46 Y HA 0.907 5.456 4.550 -0.000 0.000 0.346 46 Y C 0.120 175.754 175.900 -0.442 0.000 0.976 46 Y CA 0.370 58.198 58.100 -0.454 0.000 1.044 46 Y CB 2.242 40.131 38.460 -0.951 0.000 1.230 46 Y HN 1.116 nan 8.280 nan 0.000 0.455 47 G N 1.546 110.083 108.800 -0.438 0.000 2.369 47 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 47 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 47 G C -2.089 172.442 174.900 -0.616 0.000 1.301 47 G CA -0.382 44.570 45.100 -0.247 0.000 0.913 47 G HN 1.016 nan 8.290 nan 0.000 0.540 48 A N -1.085 121.287 122.820 -0.747 0.000 2.311 48 A HA 0.990 5.310 4.320 -0.000 0.000 0.334 48 A C 0.105 177.626 177.584 -0.106 0.000 1.139 48 A CA 0.232 51.838 52.037 -0.718 0.000 0.830 48 A CB 2.043 20.203 19.000 -1.400 0.000 1.234 48 A HN 1.852 nan 8.150 nan 0.000 0.483 49 T N -0.120 114.503 114.554 0.115 0.000 2.830 49 T HA 0.413 4.763 4.350 -0.000 0.000 0.322 49 T C -1.276 173.628 174.700 0.340 0.000 1.501 49 T CA -0.464 61.810 62.100 0.291 0.000 1.036 49 T CB 1.169 70.096 68.868 0.098 0.000 1.379 49 T HN 0.717 nan 8.240 nan 0.000 0.493 50 Q N 2.080 122.024 119.800 0.241 0.000 2.364 50 Q HA 0.409 4.748 4.340 -0.000 0.000 0.267 50 Q C 0.501 176.539 176.000 0.063 0.000 0.999 50 Q CA -0.108 55.734 55.803 0.065 0.000 0.886 50 Q CB 0.182 28.952 28.738 0.054 0.000 1.243 50 Q HN 0.642 nan 8.270 nan 0.000 0.415 51 I N -1.113 119.471 120.570 0.022 0.000 2.775 51 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 51 I C 1.105 177.202 176.117 -0.033 0.000 1.203 51 I CA 0.764 62.043 61.300 -0.036 0.000 1.433 51 I CB -0.005 37.939 38.000 -0.094 0.000 1.354 51 I HN 0.791 nan 8.210 nan 0.000 0.579 52 G N 4.333 113.099 108.800 -0.057 0.000 2.258 52 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 52 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 52 G C -0.091 174.791 174.900 -0.029 0.000 1.006 52 G CA -0.154 44.918 45.100 -0.047 0.000 0.620 52 G HN 0.569 nan 8.290 nan 0.000 0.511 53 L N 2.832 124.049 121.223 -0.009 0.000 2.319 53 L HA 0.451 4.790 4.340 -0.000 0.000 0.280 53 L C -0.176 176.687 176.870 -0.012 0.000 1.099 53 L CA -1.501 53.336 54.840 -0.006 0.000 0.828 53 L CB 0.960 43.021 42.059 0.004 0.000 1.150 53 L HN 0.069 nan 8.230 nan 0.000 0.442 54 P HA 0.019 nan 4.420 nan 0.000 0.249 54 P C -0.243 177.044 177.300 -0.021 0.000 1.229 54 P CA 0.425 63.503 63.100 -0.037 0.000 0.788 54 P CB 0.338 32.000 31.700 -0.064 0.000 1.072 55 V N -3.028 116.885 119.914 -0.002 0.000 2.823 55 V HA 0.515 4.635 4.120 -0.000 0.000 0.312 55 V C -0.228 175.863 176.094 -0.005 0.000 1.072 55 V CA -1.518 60.804 62.300 0.037 0.000 0.937 55 V CB 2.346 34.226 31.823 0.095 0.000 1.013 55 V HN -0.242 nan 8.190 nan 0.000 0.430 56 I N 3.754 124.334 120.570 0.017 0.000 2.363 56 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 56 I C 1.496 177.566 176.117 -0.077 0.000 1.075 56 I CA -0.190 61.099 61.300 -0.019 0.000 1.333 56 I CB 1.010 39.003 38.000 -0.011 0.000 1.415 56 I HN 0.737 nan 8.210 nan 0.000 0.502 57 R N 4.194 124.585 120.500 -0.183 0.000 2.093 57 R HA 0.034 4.373 4.340 -0.000 0.000 0.224 57 R C -0.068 176.021 176.300 -0.352 0.000 1.101 57 R CA 1.143 56.964 56.100 -0.465 0.000 0.979 57 R CB 0.073 29.972 30.300 -0.668 0.000 0.877 57 R HN 0.384 nan 8.270 nan 0.000 0.441 58 F N 0.910 120.840 119.950 -0.034 0.000 2.318 58 F HA 0.409 4.936 4.527 -0.000 0.000 0.356 58 F C 0.185 176.075 175.800 0.151 0.000 1.109 58 F CA -0.750 57.301 58.000 0.086 0.000 1.234 58 F CB 0.957 40.001 39.000 0.072 0.000 1.545 58 F HN -0.053 nan 8.300 nan 0.000 0.534 59 A N 3.029 126.015 122.820 0.277 0.000 2.330 59 A HA 0.965 5.285 4.320 -0.000 0.000 0.329 59 A C -1.130 176.693 177.584 0.400 0.000 1.135 59 A CA -0.559 51.629 52.037 0.251 0.000 0.817 59 A CB 1.500 20.583 19.000 0.139 0.000 1.269 59 A HN 0.579 nan 8.150 nan 0.000 0.469 60 F N -0.154 119.946 119.950 0.251 0.000 2.719 60 F HA 0.721 5.247 4.527 -0.000 0.000 0.309 60 F C -0.950 174.994 175.800 0.239 0.000 1.138 60 F CA -1.017 57.140 58.000 0.262 0.000 0.943 60 F CB 0.840 40.006 39.000 0.277 0.000 1.304 60 F HN 0.772 nan 8.300 nan 0.000 0.445 61 N N -0.394 118.571 118.700 0.442 0.000 3.439 61 N HA 0.250 4.990 4.740 -0.000 0.000 0.313 61 N C -0.122 175.616 175.510 0.379 0.000 1.598 61 N CA -0.718 52.498 53.050 0.276 0.000 0.830 61 N CB 0.227 38.831 38.487 0.196 0.000 1.849 61 N HN 0.512 nan 8.380 nan 0.000 0.598 62 Q N -0.585 119.364 119.800 0.247 0.000 2.368 62 Q HA -0.033 4.306 4.340 -0.000 0.000 0.210 62 Q C 0.199 176.359 176.000 0.267 0.000 0.982 62 Q CA 1.156 57.093 55.803 0.223 0.000 0.884 62 Q CB -0.055 28.769 28.738 0.143 0.000 0.933 62 Q HN 0.512 nan 8.270 nan 0.000 0.460 66 I N -2.219 118.448 120.570 0.162 0.000 3.174 66 I HA 0.968 5.137 4.170 -0.000 0.000 0.313 66 I C -0.735 175.507 176.117 0.207 0.000 1.155 66 I CA -1.030 60.367 61.300 0.162 0.000 0.977 66 I CB 2.417 40.539 38.000 0.204 0.000 1.248 66 I HN 0.718 nan 8.210 nan 0.000 0.453 67 T N 1.185 115.840 114.554 0.170 0.000 2.853 67 T HA 0.573 4.922 4.350 -0.000 0.000 0.311 67 T C -1.500 173.211 174.700 0.019 0.000 1.307 67 T CA -0.620 61.574 62.100 0.158 0.000 1.019 67 T CB 1.708 70.762 68.868 0.309 0.000 1.264 67 T HN 0.898 nan 8.240 nan 0.000 0.497 68 N N 0.405 119.038 118.700 -0.113 0.000 2.321 68 N HA 0.801 5.540 4.740 -0.000 0.000 0.290 68 N C -1.292 174.286 175.510 0.112 0.000 1.212 68 N CA -0.759 52.233 53.050 -0.098 0.000 0.767 68 N CB 2.242 40.432 38.487 -0.496 0.000 1.494 68 N HN 0.776 nan 8.380 nan 0.000 0.479 69 T N -3.257 111.377 114.554 0.133 0.000 2.894 69 T HA 0.479 4.828 4.350 -0.000 0.000 0.309 69 T C -0.859 173.998 174.700 0.262 0.000 1.208 69 T CA -0.763 61.437 62.100 0.165 0.000 1.016 69 T CB 0.694 69.639 68.868 0.128 0.000 1.192 69 T HN 0.157 nan 8.240 nan 0.000 0.491 70 V N 3.693 123.763 119.914 0.260 0.000 2.572 70 V HA 0.238 4.358 4.120 -0.000 0.000 0.291 70 V C 1.098 177.271 176.094 0.132 0.000 1.039 70 V CA 0.037 62.499 62.300 0.271 0.000 1.055 70 V CB 0.518 32.468 31.823 0.212 0.000 0.969 70 V HN 1.057 nan 8.190 nan 0.000 0.482 71 N N 3.351 122.065 118.700 0.023 0.000 2.181 71 N HA 0.220 4.960 4.740 -0.000 0.000 0.207 71 N C 0.635 176.114 175.510 -0.051 0.000 1.182 71 N CA 0.491 53.508 53.050 -0.056 0.000 0.893 71 N CB 0.598 38.834 38.487 -0.418 0.000 1.032 71 N HN 0.927 nan 8.380 nan 0.000 0.513 75 G N 1.388 110.139 108.800 -0.081 0.000 3.189 75 G HA2 0.603 4.562 3.960 -0.000 0.000 0.225 75 G HA3 0.603 4.562 3.960 -0.000 0.000 0.225 75 G C 0.364 175.252 174.900 -0.020 0.000 1.159 75 G CA 0.722 45.753 45.100 -0.116 0.000 0.763 75 G HN 1.073 nan 8.290 nan 0.000 0.549 76 A N -0.545 122.306 122.820 0.051 0.000 2.475 76 A HA 0.818 5.138 4.320 -0.000 0.000 0.301 76 A C -0.689 177.031 177.584 0.226 0.000 1.059 76 A CA -0.441 51.711 52.037 0.192 0.000 0.710 76 A CB 1.680 20.751 19.000 0.118 0.000 1.288 76 A HN 0.030 nan 8.150 nan 0.000 0.408 77 T N 2.277 117.037 114.554 0.344 0.000 2.848 77 T HA 0.433 4.783 4.350 -0.000 0.000 0.285 77 T C -0.818 173.881 174.700 -0.002 0.000 0.995 77 T CA -0.636 61.576 62.100 0.187 0.000 0.970 77 T CB 0.980 70.050 68.868 0.337 0.000 0.976 77 T HN 0.564 nan 8.240 nan 0.000 0.441 78 N N 2.525 121.143 118.700 -0.138 0.000 2.437 78 N HA 0.330 5.070 4.740 -0.000 0.000 0.259 78 N C -1.318 174.050 175.510 -0.236 0.000 0.983 78 N CA -0.301 52.690 53.050 -0.098 0.000 0.937 78 N CB 1.140 39.583 38.487 -0.073 0.000 1.122 78 N HN 0.520 nan 8.380 nan 0.000 0.499 79 Y N 0.495 120.727 120.300 -0.114 0.000 2.342 79 Y HA 0.309 4.858 4.550 -0.000 0.000 0.334 79 Y C 1.053 176.839 175.900 -0.190 0.000 1.067 79 Y CA -0.823 57.150 58.100 -0.211 0.000 1.128 79 Y CB 1.361 39.553 38.460 -0.448 0.000 1.200 79 Y HN 0.198 nan 8.280 nan 0.000 0.464 80 R N 4.411 124.907 120.500 -0.006 0.000 2.248 80 R HA 0.361 4.701 4.340 -0.000 0.000 0.328 80 R C -1.263 175.050 176.300 0.022 0.000 1.067 80 R CA -0.196 55.901 56.100 -0.006 0.000 0.924 80 R CB 0.041 30.326 30.300 -0.024 0.000 1.013 80 R HN 0.778 nan 8.270 nan 0.000 0.454 81 L N 3.254 124.496 121.223 0.031 0.000 2.375 81 L HA 0.300 4.640 4.340 -0.000 0.000 0.271 81 L C 0.255 177.201 176.870 0.127 0.000 1.107 81 L CA -0.459 54.429 54.840 0.081 0.000 0.806 81 L CB 1.855 43.971 42.059 0.094 0.000 1.146 81 L HN 0.600 nan 8.230 nan 0.000 0.447 82 T N 3.907 118.566 114.554 0.175 0.000 2.801 82 T HA 0.423 4.773 4.350 -0.000 0.000 0.306 82 T C 0.046 174.855 174.700 0.181 0.000 1.020 82 T CA -0.456 61.734 62.100 0.149 0.000 0.948 82 T CB 0.202 69.148 68.868 0.130 0.000 0.962 82 T HN 0.260 nan 8.240 nan 0.000 0.465 83 L N 3.827 125.154 121.223 0.173 0.000 2.367 83 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 83 L C 0.384 177.330 176.870 0.128 0.000 1.129 83 L CA -0.065 54.894 54.840 0.198 0.000 0.839 83 L CB 0.579 42.755 42.059 0.196 0.000 1.133 83 L HN 0.572 nan 8.230 nan 0.000 0.453 84 Q N 2.471 122.335 119.800 0.106 0.000 2.403 84 Q HA 0.112 4.451 4.340 -0.000 0.000 0.267 84 Q C -1.368 174.651 176.000 0.031 0.000 0.991 84 Q CA -0.695 55.142 55.803 0.057 0.000 0.906 84 Q CB 1.793 30.552 28.738 0.035 0.000 1.422 84 Q HN 0.676 nan 8.270 nan 0.000 0.400 85 D N 2.759 123.176 120.400 0.029 0.000 2.692 85 D HA -0.226 4.414 4.640 -0.000 0.000 0.233 85 D C 0.712 177.028 176.300 0.025 0.000 1.172 85 D CA 1.961 55.972 54.000 0.017 0.000 0.636 85 D CB -1.304 39.491 40.800 -0.008 0.000 1.028 85 D HN 1.114 nan 8.370 nan 0.000 0.419 86 G N -1.711 107.130 108.800 0.070 0.000 2.189 86 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.267 86 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.267 86 G C 0.678 175.669 174.900 0.151 0.000 0.975 86 G CA 0.780 45.947 45.100 0.113 0.000 0.644 86 G HN 1.031 nan 8.290 nan 0.000 0.537 87 G N -1.018 107.806 108.800 0.040 0.000 3.183 87 G HA2 0.837 4.797 3.960 -0.000 0.000 0.247 87 G HA3 0.837 4.797 3.960 -0.000 0.000 0.247 87 G C -0.837 173.950 174.900 -0.189 0.000 1.211 87 G CA -0.157 44.806 45.100 -0.229 0.000 0.835 87 G HN 1.330 nan 8.290 nan 0.000 0.604 88 Y N -1.269 118.767 120.300 -0.439 0.000 2.477 88 Y HA 0.733 5.283 4.550 -0.000 0.000 0.347 88 Y C -0.638 175.219 175.900 -0.071 0.000 0.981 88 Y CA -1.597 56.387 58.100 -0.194 0.000 1.033 88 Y CB 1.514 39.843 38.460 -0.218 0.000 1.245 88 Y HN 0.446 nan 8.280 nan 0.000 0.455 89 L N 4.580 125.854 121.223 0.085 0.000 2.418 89 L HA 0.184 4.524 4.340 -0.000 0.000 0.274 89 L C -1.423 175.572 176.870 0.208 0.000 1.135 89 L CA -0.085 54.792 54.840 0.063 0.000 0.870 89 L CB 0.237 42.348 42.059 0.086 0.000 1.154 89 L HN 0.880 nan 8.230 nan 0.000 0.462 90 Y N 4.400 124.659 120.300 -0.069 0.000 2.322 90 Y HA 0.194 4.744 4.550 -0.000 0.000 0.324 90 Y C -0.157 175.730 175.900 -0.022 0.000 1.027 90 Y CA -1.145 56.959 58.100 0.007 0.000 1.179 90 Y CB 0.793 39.230 38.460 -0.039 0.000 1.136 90 Y HN 0.676 nan 8.280 nan 0.000 0.449 91 D N 4.469 124.717 120.400 -0.254 0.000 2.699 91 D HA -0.172 4.467 4.640 -0.000 0.000 0.239 91 D C 1.251 177.497 176.300 -0.091 0.000 1.136 91 D CA 2.110 55.976 54.000 -0.224 0.000 0.668 91 D CB -1.078 39.536 40.800 -0.310 0.000 1.060 91 D HN 1.233 nan 8.370 nan 0.000 0.429 92 G N -0.938 107.836 108.800 -0.044 0.000 2.284 92 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.261 92 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.261 92 G C 0.354 175.238 174.900 -0.026 0.000 0.997 92 G CA 0.910 45.995 45.100 -0.025 0.000 0.621 92 G HN 0.551 nan 8.290 nan 0.000 0.534 93 Q N -0.654 119.126 119.800 -0.033 0.000 2.297 93 Q HA 0.669 5.009 4.340 -0.000 0.000 0.269 93 Q C -0.364 175.583 176.000 -0.089 0.000 1.051 93 Q CA -0.950 54.822 55.803 -0.050 0.000 0.869 93 Q CB 2.761 31.470 28.738 -0.049 0.000 1.346 93 Q HN 0.144 nan 8.270 nan 0.000 0.457 94 V N 2.401 122.241 119.914 -0.123 0.000 2.406 94 V HA 0.332 4.451 4.120 -0.000 0.000 0.272 94 V C -0.070 175.837 176.094 -0.311 0.000 1.043 94 V CA -0.546 61.631 62.300 -0.206 0.000 0.915 94 V CB 0.722 32.461 31.823 -0.141 0.000 0.988 94 V HN 0.563 nan 8.190 nan 0.000 0.466 95 R N 5.790 125.933 120.500 -0.596 0.000 2.668 95 R HA 0.570 4.910 4.340 -0.000 0.000 0.279 95 R C -2.635 173.292 176.300 -0.621 0.000 0.976 95 R CA -2.301 53.411 56.100 -0.645 0.000 0.978 95 R CB 1.939 31.663 30.300 -0.960 0.000 1.133 95 R HN 0.414 nan 8.270 nan 0.000 0.484 96 P HA 0.294 nan 4.420 nan 0.000 0.284 96 P C -0.727 176.513 177.300 -0.100 0.000 1.258 96 P CA -0.429 62.555 63.100 -0.193 0.000 0.824 96 P CB 0.627 32.280 31.700 -0.078 0.000 1.038 97 F N 0.106 120.124 119.950 0.113 0.000 2.382 97 F HA 0.217 4.743 4.527 -0.000 0.000 0.331 97 F C 1.566 177.390 175.800 0.040 0.000 1.121 97 F CA -0.068 58.003 58.000 0.119 0.000 1.183 97 F CB 0.461 39.504 39.000 0.072 0.000 1.207 97 F HN 0.302 nan 8.300 nan 0.000 0.555 98 E N 2.865 123.203 120.200 0.231 0.000 2.229 98 E HA 0.237 4.587 4.350 -0.000 0.000 0.283 98 E C -0.722 175.933 176.600 0.091 0.000 1.030 98 E CA -0.494 55.970 56.400 0.106 0.000 0.836 98 E CB 0.701 30.435 29.700 0.057 0.000 1.068 98 E HN 0.541 nan 8.360 nan 0.000 0.401 99 R N 3.596 124.132 120.500 0.059 0.000 2.494 99 R HA 0.388 4.727 4.340 -0.000 0.000 0.305 99 R C -0.772 175.529 176.300 0.000 0.000 0.959 99 R CA -0.656 55.458 56.100 0.022 0.000 0.864 99 R CB 1.385 31.705 30.300 0.034 0.000 1.159 99 R HN 0.430 nan 8.270 nan 0.000 0.446 100 R N 2.628 123.116 120.500 -0.020 0.000 2.514 100 R HA 0.197 4.537 4.340 -0.000 0.000 0.296 100 R C -1.160 175.126 176.300 -0.023 0.000 1.012 100 R CA -0.740 55.349 56.100 -0.018 0.000 0.897 100 R CB 1.434 31.723 30.300 -0.018 0.000 1.184 100 R HN 0.474 nan 8.270 nan 0.000 0.440 101 Q N 2.251 122.042 119.800 -0.016 0.000 2.294 101 Q HA 0.440 4.780 4.340 -0.000 0.000 0.257 101 Q C -0.599 175.396 176.000 -0.009 0.000 0.955 101 Q CA -0.091 55.702 55.803 -0.017 0.000 0.936 101 Q CB 1.802 30.531 28.738 -0.016 0.000 1.188 101 Q HN 0.695 nan 8.270 nan 0.000 0.420 102 A N 1.743 124.562 122.820 -0.002 0.000 2.414 102 A HA 0.878 5.198 4.320 -0.000 0.000 0.278 102 A C -0.642 176.954 177.584 0.020 0.000 1.228 102 A CA -0.580 51.467 52.037 0.017 0.000 0.857 102 A CB 2.049 21.069 19.000 0.033 0.000 1.389 102 A HN 0.547 nan 8.150 nan 0.000 0.452 103 S N -1.714 114.011 115.700 0.042 0.000 2.547 103 S HA 0.704 5.174 4.470 -0.000 0.000 0.270 103 S C -1.906 172.747 174.600 0.089 0.000 1.150 103 S CA -0.403 57.797 58.200 0.001 0.000 0.850 103 S CB 1.236 64.413 63.200 -0.039 0.000 1.118 103 S HN 1.606 nan 8.310 nan 0.000 0.461 104 Y N 0.476 120.767 120.300 -0.015 0.000 2.571 104 Y HA 0.762 5.312 4.550 -0.000 0.000 0.341 104 Y C -0.866 175.027 175.900 -0.011 0.000 1.076 104 Y CA -1.247 56.846 58.100 -0.012 0.000 1.029 104 Y CB 0.769 39.222 38.460 -0.011 0.000 1.308 104 Y HN 0.593 nan 8.280 nan 0.000 0.461 105 R N 1.886 122.484 120.500 0.163 0.000 2.457 105 R HA 0.631 4.970 4.340 -0.000 0.000 0.284 105 R C -1.590 174.816 176.300 0.176 0.000 1.024 105 R CA -1.018 55.126 56.100 0.074 0.000 1.025 105 R CB 1.507 31.838 30.300 0.052 0.000 1.063 105 R HN 0.714 nan 8.270 nan 0.000 0.493 106 L N 2.447 123.722 121.223 0.087 0.000 2.372 106 L HA 0.343 4.682 4.340 -0.000 0.000 0.273 106 L C -0.256 176.646 176.870 0.055 0.000 0.989 106 L CA -0.443 54.467 54.840 0.117 0.000 0.841 106 L CB 1.344 43.474 42.059 0.119 0.000 1.225 106 L HN 0.497 nan 8.230 nan 0.000 0.414 107 R N 3.436 123.966 120.500 0.049 0.000 2.570 107 R HA 0.152 4.492 4.340 -0.000 0.000 0.277 107 R C -0.447 175.865 176.300 0.020 0.000 1.039 107 R CA -0.071 56.044 56.100 0.026 0.000 1.065 107 R CB 0.510 30.823 30.300 0.020 0.000 0.964 107 R HN 0.628 nan 8.270 nan 0.000 0.428 108 Q N 1.930 121.736 119.800 0.011 0.000 2.180 108 Q HA 0.215 4.555 4.340 -0.000 0.000 0.241 108 Q C 0.857 176.860 176.000 0.004 0.000 0.970 108 Q CA 0.190 55.997 55.803 0.007 0.000 0.919 108 Q CB 1.393 30.132 28.738 0.002 0.000 1.222 108 Q HN 0.802 nan 8.270 nan 0.000 0.482 109 A N 1.161 123.983 122.820 0.003 0.000 1.940 109 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 109 A C 1.164 178.747 177.584 -0.001 0.000 1.176 109 A CA 2.265 54.303 52.037 0.001 0.000 0.631 109 A CB -0.582 18.418 19.000 -0.000 0.000 0.814 109 A HN 0.801 nan 8.150 nan 0.000 0.446 110 D N -2.531 117.868 120.400 -0.001 0.000 2.363 110 D HA 0.290 4.930 4.640 -0.000 0.000 0.226 110 D C 1.174 177.473 176.300 -0.002 0.000 1.020 110 D CA 1.101 55.100 54.000 -0.002 0.000 0.892 110 D CB -0.393 40.405 40.800 -0.003 0.000 0.900 110 D HN 0.799 nan 8.370 nan 0.000 0.531 111 G N -0.490 108.310 108.800 -0.001 0.000 2.213 111 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 111 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 111 G C 0.599 175.499 174.900 -0.000 0.000 0.991 111 G CA 0.388 45.488 45.100 -0.001 0.000 0.629 111 G HN 0.781 nan 8.290 nan 0.000 0.517 112 T N -0.685 113.869 114.554 -0.001 0.000 2.810 112 T HA 0.696 5.046 4.350 -0.000 0.000 0.277 112 T C 0.420 175.120 174.700 0.000 0.000 0.973 112 T CA 0.772 62.871 62.100 -0.002 0.000 0.949 112 T CB 1.792 70.657 68.868 -0.004 0.000 1.075 112 T HN 1.418 nan 8.240 nan 0.000 0.537 113 T N -1.993 112.559 114.554 -0.002 0.000 2.906 113 T HA 0.695 5.044 4.350 -0.000 0.000 0.295 113 T C -0.368 174.325 174.700 -0.013 0.000 1.075 113 T CA -0.631 61.469 62.100 -0.001 0.000 1.005 113 T CB 1.322 70.193 68.868 0.005 0.000 1.136 113 T HN 1.350 nan 8.240 nan 0.000 0.498 114 V N -1.273 118.627 119.914 -0.022 0.000 2.823 114 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 114 V C -1.198 174.850 176.094 -0.076 0.000 1.072 114 V CA -1.071 61.203 62.300 -0.043 0.000 0.937 114 V CB 1.962 33.759 31.823 -0.045 0.000 1.013 114 V HN 0.929 nan 8.190 nan 0.000 0.430 115 D N 2.646 122.991 120.400 -0.092 0.000 2.264 115 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 115 D C -0.420 175.753 176.300 -0.212 0.000 1.113 115 D CA 0.018 53.935 54.000 -0.139 0.000 0.871 115 D CB 1.783 42.524 40.800 -0.098 0.000 1.167 115 D HN 0.599 nan 8.370 nan 0.000 0.447 116 K N 2.700 122.868 120.400 -0.387 0.000 2.345 116 K HA 0.385 4.704 4.320 -0.000 0.000 0.255 116 K C -2.506 173.825 176.600 -0.448 0.000 0.934 116 K CA -1.674 54.333 56.287 -0.467 0.000 0.801 116 K CB 2.861 34.934 32.500 -0.711 0.000 1.137 116 K HN 0.219 nan 8.250 nan 0.000 0.424 117 P HA 0.210 nan 4.420 nan 0.000 0.277 117 P C -1.197 176.055 177.300 -0.079 0.000 1.240 117 P CA -0.632 62.387 63.100 -0.136 0.000 0.798 117 P CB 1.033 32.681 31.700 -0.086 0.000 0.979 118 L N 1.215 122.437 121.223 -0.002 0.000 2.541 118 L HA 0.376 4.716 4.340 -0.000 0.000 0.266 118 L C -0.422 176.452 176.870 0.008 0.000 0.966 118 L CA -0.580 54.299 54.840 0.064 0.000 0.871 118 L CB 1.586 43.778 42.059 0.221 0.000 1.232 118 L HN 0.378 nan 8.230 nan 0.000 0.408 119 E N 5.285 125.467 120.200 -0.030 0.000 2.229 119 E HA 0.453 4.803 4.350 -0.000 0.000 0.283 119 E C -1.130 175.410 176.600 -0.100 0.000 1.030 119 E CA -0.437 55.927 56.400 -0.059 0.000 0.836 119 E CB 0.913 30.570 29.700 -0.071 0.000 1.068 119 E HN 0.680 nan 8.360 nan 0.000 0.401 120 I N 5.511 126.023 120.570 -0.097 0.000 2.328 120 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 120 I C 0.203 176.235 176.117 -0.141 0.000 1.012 120 I CA -0.555 60.662 61.300 -0.139 0.000 1.195 120 I CB 1.083 39.026 38.000 -0.095 0.000 1.350 120 I HN 0.421 nan 8.210 nan 0.000 0.464 121 R N 3.948 124.319 120.500 -0.215 0.000 2.664 121 R HA 0.731 5.071 4.340 -0.000 0.000 0.286 121 R C -0.836 175.381 176.300 -0.139 0.000 0.967 121 R CA -0.721 55.265 56.100 -0.190 0.000 0.933 121 R CB 2.324 32.388 30.300 -0.394 0.000 1.146 121 R HN 0.480 nan 8.270 nan 0.000 0.468 122 S N 0.395 116.100 115.700 0.009 0.000 2.547 122 S HA 0.330 4.800 4.470 -0.000 0.000 0.281 122 S C -0.491 174.197 174.600 0.147 0.000 1.118 122 S CA -0.780 57.441 58.200 0.035 0.000 0.947 122 S CB 1.951 65.153 63.200 0.003 0.000 1.053 122 S HN 0.716 nan 8.310 nan 0.000 0.482 123 S N 0.878 116.594 115.700 0.026 0.000 2.690 123 S HA 0.484 4.954 4.470 -0.000 0.000 0.285 123 S C 1.165 175.647 174.600 -0.197 0.000 1.135 123 S CA -0.480 57.584 58.200 -0.227 0.000 1.020 123 S CB 0.544 63.358 63.200 -0.644 0.000 1.159 123 S HN 0.506 nan 8.310 nan 0.000 0.534 124 V N 1.149 120.853 119.914 -0.349 0.000 2.759 124 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 124 V C 1.938 177.744 176.094 -0.480 0.000 1.080 124 V CA 2.021 64.069 62.300 -0.421 0.000 1.101 124 V CB -1.513 29.932 31.823 -0.629 0.000 0.698 124 V HN 0.887 nan 8.190 nan 0.000 0.477 125 H N 0.269 119.098 119.070 -0.400 0.000 2.307 125 H HA 0.464 5.019 4.556 -0.000 0.000 0.303 125 H C 1.086 176.286 175.328 -0.213 0.000 1.073 125 H CA 1.097 56.902 56.048 -0.404 0.000 1.338 125 H CB -0.139 29.307 29.762 -0.527 0.000 1.389 125 H HN 0.606 nan 8.280 nan 0.000 0.503 126 G N -1.403 107.399 108.800 0.003 0.000 2.344 126 G HA2 0.162 4.122 3.960 -0.000 0.000 0.282 126 G HA3 0.162 4.122 3.960 -0.000 0.000 0.282 126 G C -2.815 172.102 174.900 0.028 0.000 1.281 126 G CA -1.191 43.921 45.100 0.020 0.000 0.877 126 G HN -0.116 nan 8.290 nan 0.000 0.494 127 P HA 0.334 nan 4.420 nan 0.000 0.265 127 P C -0.202 177.070 177.300 -0.048 0.000 1.187 127 P CA -0.088 62.991 63.100 -0.034 0.000 0.766 127 P CB 0.916 32.632 31.700 0.026 0.000 0.820 128 V N 4.559 124.315 119.914 -0.263 0.000 2.483 128 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 128 V C -0.071 175.737 176.094 -0.477 0.000 1.035 128 V CA -0.003 62.157 62.300 -0.234 0.000 0.896 128 V CB 0.532 32.180 31.823 -0.292 0.000 0.986 128 V HN 0.390 nan 8.190 nan 0.000 0.447 129 F N 1.682 121.585 119.950 -0.078 0.000 2.640 129 F HA 0.615 5.142 4.527 -0.000 0.000 0.324 129 F C 0.041 175.804 175.800 -0.060 0.000 1.077 129 F CA -0.872 57.089 58.000 -0.065 0.000 0.965 129 F CB 1.901 40.875 39.000 -0.044 0.000 1.351 129 F HN 0.439 nan 8.300 nan 0.000 0.487 130 E N 1.606 121.900 120.200 0.157 0.000 2.218 130 E HA 0.414 4.764 4.350 -0.000 0.000 0.263 130 E C -0.889 175.754 176.600 0.072 0.000 0.879 130 E CA -0.687 55.757 56.400 0.073 0.000 0.762 130 E CB 1.220 30.933 29.700 0.021 0.000 1.166 130 E HN 0.546 nan 8.360 nan 0.000 0.415 131 R N 1.952 122.480 120.500 0.047 0.000 2.738 131 R HA 0.276 4.616 4.340 -0.000 0.000 0.275 131 R C 1.108 177.419 176.300 0.019 0.000 1.121 131 R CA 0.442 56.556 56.100 0.025 0.000 1.207 131 R CB 0.413 30.718 30.300 0.008 0.000 1.141 131 R HN 0.680 nan 8.270 nan 0.000 0.571 132 A N 1.277 124.103 122.820 0.010 0.000 1.933 132 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 132 A C 1.307 178.895 177.584 0.007 0.000 1.175 132 A CA 1.979 54.021 52.037 0.008 0.000 0.628 132 A CB -0.588 18.414 19.000 0.003 0.000 0.814 132 A HN 0.856 nan 8.150 nan 0.000 0.444 133 D N -2.373 118.030 120.400 0.004 0.000 2.352 133 D HA 0.302 4.942 4.640 -0.000 0.000 0.232 133 D C 1.131 177.436 176.300 0.008 0.000 1.055 133 D CA 0.967 54.969 54.000 0.004 0.000 0.891 133 D CB -0.456 40.344 40.800 0.000 0.000 0.897 133 D HN 0.720 nan 8.370 nan 0.000 0.529 134 G N -0.746 108.061 108.800 0.012 0.000 2.217 134 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.246 134 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.246 134 G C 0.495 175.407 174.900 0.020 0.000 0.990 134 G CA 0.224 45.333 45.100 0.015 0.000 0.627 134 G HN 0.464 nan 8.290 nan 0.000 0.522 135 T N 1.725 116.290 114.554 0.017 0.000 2.902 135 T HA 0.494 4.844 4.350 -0.000 0.000 0.301 135 T C 0.648 175.366 174.700 0.030 0.000 1.012 135 T CA 0.702 62.815 62.100 0.020 0.000 1.151 135 T CB 1.493 70.367 68.868 0.009 0.000 0.946 135 T HN 1.408 nan 8.240 nan 0.000 0.542 136 A N 3.687 126.530 122.820 0.038 0.000 2.276 136 A HA 0.617 4.936 4.320 -0.000 0.000 0.300 136 A C -0.258 177.352 177.584 0.044 0.000 1.235 136 A CA -0.580 51.483 52.037 0.043 0.000 0.867 136 A CB 0.378 19.416 19.000 0.064 0.000 1.137 136 A HN 0.687 nan 8.150 nan 0.000 0.527 137 V N 1.625 121.576 119.914 0.061 0.000 2.656 137 V HA 0.748 4.868 4.120 -0.000 0.000 0.307 137 V C 0.269 176.428 176.094 0.108 0.000 1.051 137 V CA -0.383 61.956 62.300 0.065 0.000 0.893 137 V CB 1.799 33.656 31.823 0.057 0.000 0.999 137 V HN 1.179 nan 8.190 nan 0.000 0.426 138 A N 3.839 126.701 122.820 0.069 0.000 2.331 138 A HA 0.863 5.183 4.320 -0.000 0.000 0.320 138 A C -0.815 176.884 177.584 0.192 0.000 1.138 138 A CA -0.550 51.544 52.037 0.094 0.000 0.790 138 A CB 1.450 20.411 19.000 -0.064 0.000 1.206 138 A HN 0.743 nan 8.150 nan 0.000 0.470 139 V N 2.402 122.453 119.914 0.228 0.000 2.398 139 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 139 V C 0.346 176.572 176.094 0.221 0.000 1.026 139 V CA -0.610 61.818 62.300 0.213 0.000 0.868 139 V CB 1.234 33.150 31.823 0.154 0.000 0.982 139 V HN 0.906 nan 8.190 nan 0.000 0.443 140 R N 3.497 124.164 120.500 0.277 0.000 2.310 140 R HA 0.676 5.016 4.340 -0.000 0.000 0.324 140 R C -1.550 174.952 176.300 0.336 0.000 0.955 140 R CA -0.366 55.864 56.100 0.217 0.000 0.830 140 R CB 1.627 31.999 30.300 0.121 0.000 1.154 140 R HN 0.610 nan 8.270 nan 0.000 0.458 141 V N 4.117 124.192 119.914 0.268 0.000 2.398 141 V HA 0.482 4.602 4.120 -0.000 0.000 0.286 141 V C 0.449 176.750 176.094 0.346 0.000 1.026 141 V CA -0.807 61.661 62.300 0.280 0.000 0.868 141 V CB 1.350 33.263 31.823 0.150 0.000 0.982 141 V HN 0.945 nan 8.190 nan 0.000 0.443 142 A N 3.455 126.496 122.820 0.368 0.000 2.366 142 A HA 0.615 4.935 4.320 -0.000 0.000 0.249 142 A C 1.422 179.082 177.584 0.128 0.000 1.084 142 A CA 0.416 52.616 52.037 0.272 0.000 0.794 142 A CB -0.059 18.930 19.000 -0.018 0.000 1.034 142 A HN 2.216 nan 8.150 nan 0.000 0.491 143 G N -0.361 108.501 108.800 0.104 0.000 2.179 143 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 143 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 143 G C 0.491 175.425 174.900 0.055 0.000 1.010 143 G CA 0.536 45.670 45.100 0.057 0.000 0.736 143 G HN 0.794 nan 8.290 nan 0.000 0.513 144 L N 0.394 121.662 121.223 0.074 0.000 2.622 144 L HA 0.104 4.444 4.340 -0.000 0.000 0.233 144 L C 1.643 178.538 176.870 0.041 0.000 1.156 144 L CA 1.266 56.139 54.840 0.055 0.000 0.866 144 L CB -0.078 42.018 42.059 0.061 0.000 0.980 144 L HN 0.475 nan 8.230 nan 0.000 0.448 145 D N -1.119 119.306 120.400 0.041 0.000 2.559 145 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 145 D C 0.315 176.629 176.300 0.023 0.000 1.226 145 D CA -0.281 53.737 54.000 0.030 0.000 0.830 145 D CB 0.309 41.128 40.800 0.031 0.000 1.028 145 D HN -0.018 nan 8.370 nan 0.000 0.492 146 R N 1.832 122.345 120.500 0.022 0.000 2.477 146 R HA 0.269 4.609 4.340 -0.000 0.000 0.285 146 R C -1.847 174.463 176.300 0.017 0.000 1.415 146 R CA -1.308 54.801 56.100 0.015 0.000 1.446 146 R CB 0.935 31.241 30.300 0.010 0.000 1.110 146 R HN 0.123 nan 8.270 nan 0.000 0.590 147 P HA 0.020 nan 4.420 nan 0.000 0.241 147 P C 0.553 177.865 177.300 0.020 0.000 1.191 147 P CA 0.344 63.454 63.100 0.017 0.000 0.771 147 P CB 0.676 32.383 31.700 0.013 0.000 0.929 151 E N 1.076 121.342 120.200 0.110 0.000 2.152 151 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 151 E C 1.848 178.541 176.600 0.155 0.000 0.983 151 E CA 1.447 57.930 56.400 0.139 0.000 0.818 151 E CB 0.273 30.022 29.700 0.082 0.000 0.758 151 E HN 0.430 nan 8.360 nan 0.000 0.467 152 Q N -0.628 119.225 119.800 0.088 0.000 2.050 152 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 152 Q C 1.644 177.649 176.000 0.008 0.000 0.980 152 Q CA 1.473 57.276 55.803 0.001 0.000 0.840 152 Q CB -0.148 28.543 28.738 -0.079 0.000 0.898 152 Q HN 0.391 nan 8.270 nan 0.000 0.424 153 Y N -0.494 119.840 120.300 0.056 0.000 2.224 153 Y HA -0.224 4.326 4.550 -0.000 0.000 0.289 153 Y C 1.919 177.868 175.900 0.082 0.000 1.146 153 Y CA 1.469 59.607 58.100 0.063 0.000 1.182 153 Y CB -0.322 38.177 38.460 0.066 0.000 0.983 153 Y HN 0.265 nan 8.280 nan 0.000 0.524 154 F N 0.782 120.799 119.950 0.111 0.000 2.102 154 F HA -0.135 4.391 4.527 -0.000 0.000 0.298 154 F C 1.218 176.997 175.800 -0.036 0.000 1.105 154 F CA 1.079 59.072 58.000 -0.011 0.000 1.239 154 F CB -0.552 38.407 39.000 -0.068 0.000 0.991 154 F HN -0.098 nan 8.300 nan 0.000 0.474 158 T N 1.310 115.780 114.554 -0.140 0.000 3.111 158 T HA 0.595 4.944 4.350 -0.000 0.000 0.284 158 T C 0.787 175.430 174.700 -0.095 0.000 0.983 158 T CA 0.569 62.532 62.100 -0.229 0.000 0.900 158 T CB 0.096 68.526 68.868 -0.730 0.000 1.132 158 T HN 0.460 nan 8.240 nan 0.000 0.531 159 A N 0.911 123.737 122.820 0.009 0.000 2.462 159 A HA 0.291 4.610 4.320 -0.000 0.000 0.243 159 A C 0.878 178.513 177.584 0.086 0.000 1.076 159 A CA -0.034 52.041 52.037 0.064 0.000 0.773 159 A CB 0.199 19.297 19.000 0.163 0.000 1.010 159 A HN 0.304 nan 8.150 nan 0.000 0.493 160 D N 0.154 120.596 120.400 0.071 0.000 2.349 160 D HA 0.089 4.729 4.640 -0.000 0.000 0.215 160 D C 0.524 176.882 176.300 0.097 0.000 1.016 160 D CA 1.409 55.456 54.000 0.077 0.000 0.870 160 D CB 0.136 40.973 40.800 0.061 0.000 0.917 160 D HN 0.639 nan 8.370 nan 0.000 0.524 161 S N -1.407 114.365 115.700 0.121 0.000 2.588 161 S HA 0.220 4.690 4.470 -0.000 0.000 0.269 161 S C 0.277 175.003 174.600 0.211 0.000 1.157 161 S CA -0.825 57.467 58.200 0.153 0.000 0.824 161 S CB 0.800 64.063 63.200 0.105 0.000 1.126 161 S HN -0.132 nan 8.310 nan 0.000 0.464 162 F N 1.721 121.712 119.950 0.069 0.000 2.171 162 F HA 0.002 4.528 4.527 -0.000 0.000 0.300 162 F C 1.677 177.470 175.800 -0.010 0.000 1.090 162 F CA 1.917 59.897 58.000 -0.033 0.000 1.293 162 F CB -0.528 38.427 39.000 -0.074 0.000 1.013 162 F HN 0.692 nan 8.300 nan 0.000 0.486 163 D N 0.253 120.607 120.400 -0.077 0.000 2.144 163 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 163 D C 1.823 178.021 176.300 -0.170 0.000 0.984 163 D CA 1.509 55.404 54.000 -0.174 0.000 0.834 163 D CB -0.379 40.392 40.800 -0.049 0.000 0.955 163 D HN 0.350 nan 8.370 nan 0.000 0.465 164 D N -0.392 119.965 120.400 -0.072 0.000 2.144 164 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 164 D C 1.931 178.178 176.300 -0.089 0.000 0.978 164 D CA 0.484 54.450 54.000 -0.057 0.000 0.833 164 D CB -0.410 40.392 40.800 0.003 0.000 0.961 164 D HN 0.283 nan 8.370 nan 0.000 0.470 165 Y N 2.198 122.377 120.300 -0.201 0.000 2.097 165 Y HA -0.198 4.352 4.550 -0.000 0.000 0.282 165 Y C 2.082 177.779 175.900 -0.338 0.000 1.152 165 Y CA 1.762 59.723 58.100 -0.231 0.000 1.136 165 Y CB -0.160 38.137 38.460 -0.271 0.000 0.975 165 Y HN -0.059 nan 8.280 nan 0.000 0.498 166 E N 0.080 119.925 120.200 -0.592 0.000 2.077 166 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 166 E C 2.389 178.736 176.600 -0.422 0.000 0.989 166 E CA 1.012 57.038 56.400 -0.623 0.000 0.800 166 E CB -0.405 28.912 29.700 -0.638 0.000 0.746 166 E HN 0.594 nan 8.360 nan 0.000 0.452 167 A N 1.619 124.254 122.820 -0.308 0.000 1.908 167 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 167 A C 2.391 179.849 177.584 -0.211 0.000 1.181 167 A CA 1.851 53.763 52.037 -0.209 0.000 0.627 167 A CB -0.543 18.370 19.000 -0.144 0.000 0.818 167 A HN 0.296 nan 8.150 nan 0.000 0.445 168 A N -0.576 122.094 122.820 -0.249 0.000 1.873 168 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 168 A C 2.111 179.518 177.584 -0.294 0.000 1.186 168 A CA 1.592 53.492 52.037 -0.229 0.000 0.616 168 A CB -0.658 18.217 19.000 -0.208 0.000 0.823 168 A HN 0.743 nan 8.150 nan 0.000 0.442 169 L N 0.012 120.958 121.223 -0.461 0.000 2.127 169 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 169 L C 2.454 179.147 176.870 -0.295 0.000 1.089 169 L CA 2.114 56.675 54.840 -0.464 0.000 0.757 169 L CB -0.595 41.060 42.059 -0.673 0.000 0.899 169 L HN 0.325 nan 8.230 nan 0.000 0.434 170 A N -0.681 121.984 122.820 -0.259 0.000 2.216 170 A HA -0.064 4.255 4.320 -0.000 0.000 0.214 170 A C 1.560 179.069 177.584 -0.124 0.000 1.160 170 A CA 0.361 52.296 52.037 -0.170 0.000 0.725 170 A CB -0.600 18.308 19.000 -0.153 0.000 0.784 170 A HN 0.487 nan 8.150 nan 0.000 0.472 174 V N 5.353 125.239 119.914 -0.047 0.000 2.318 174 V HA 0.190 4.310 4.120 -0.000 0.000 0.271 174 V C -1.318 174.751 176.094 -0.041 0.000 1.030 174 V CA -0.922 61.376 62.300 -0.004 0.000 0.844 174 V CB 1.358 33.137 31.823 -0.074 0.000 1.015 174 V HN 0.021 nan 8.190 nan 0.000 0.460 175 P HA -0.001 nan 4.420 nan 0.000 0.234 175 P C 0.545 177.724 177.300 -0.202 0.000 1.167 175 P CA 0.953 63.990 63.100 -0.105 0.000 0.763 175 P CB 0.744 32.396 31.700 -0.079 0.000 0.835 176 T N -2.187 112.194 114.554 -0.289 0.000 2.653 176 T HA 0.542 4.892 4.350 -0.000 0.000 0.306 176 T C -1.893 172.565 174.700 -0.405 0.000 1.426 176 T CA -0.350 61.466 62.100 -0.473 0.000 1.008 176 T CB 0.204 68.661 68.868 -0.684 0.000 1.692 176 T HN -0.178 nan 8.240 nan 0.000 0.483 177 F N -0.153 119.705 119.950 -0.153 0.000 2.182 177 F HA -0.052 4.475 4.527 -0.000 0.000 0.325 177 F C -0.114 175.575 175.800 -0.186 0.000 1.295 177 F CA -0.675 57.256 58.000 -0.114 0.000 0.940 177 F CB -0.981 38.016 39.000 -0.004 0.000 4.103 177 F HN 0.687 nan 8.300 nan 0.000 0.179 178 N N 2.248 121.022 118.700 0.124 0.000 2.499 178 N HA 0.755 5.495 4.740 -0.000 0.000 0.281 178 N C -0.918 174.662 175.510 0.115 0.000 1.098 178 N CA -0.568 52.524 53.050 0.069 0.000 0.979 178 N CB 0.888 39.541 38.487 0.276 0.000 1.121 178 N HN 0.399 nan 8.380 nan 0.000 0.466 179 I N 2.212 122.809 120.570 0.045 0.000 2.447 179 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 179 I C -0.774 175.457 176.117 0.190 0.000 1.023 179 I CA -0.923 60.450 61.300 0.121 0.000 1.083 179 I CB 1.787 39.854 38.000 0.111 0.000 1.245 179 I HN 0.127 nan 8.210 nan 0.000 0.434 180 V N 6.402 126.469 119.914 0.255 0.000 2.483 180 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 180 V C -1.040 175.223 176.094 0.282 0.000 1.035 180 V CA -0.655 61.831 62.300 0.310 0.000 0.896 180 V CB 1.979 34.005 31.823 0.337 0.000 0.986 180 V HN 0.550 nan 8.190 nan 0.000 0.447 181 Y N 3.277 123.628 120.300 0.084 0.000 2.512 181 Y HA 0.838 5.388 4.550 -0.000 0.000 0.348 181 Y C -0.343 175.500 175.900 -0.096 0.000 0.990 181 Y CA -0.727 57.324 58.100 -0.082 0.000 1.033 181 Y CB 2.003 40.276 38.460 -0.312 0.000 1.259 181 Y HN 0.794 nan 8.280 nan 0.000 0.461 182 A N 4.105 126.509 122.820 -0.693 0.000 2.547 182 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 182 A C -1.976 174.858 177.584 -1.249 0.000 1.056 182 A CA -0.405 51.265 52.037 -0.611 0.000 0.688 182 A CB 1.341 20.218 19.000 -0.206 0.000 1.282 182 A HN 0.825 nan 8.150 nan 0.000 0.400 183 D N -0.480 119.362 120.400 -0.929 0.000 2.592 183 D HA 0.419 5.059 4.640 -0.000 0.000 0.263 183 D C 0.705 176.675 176.300 -0.551 0.000 1.132 183 D CA -0.633 52.794 54.000 -0.955 0.000 0.996 183 D CB 0.708 41.228 40.800 -0.466 0.000 1.442 183 D HN 0.490 nan 8.370 nan 0.000 0.486 184 R N -0.199 120.111 120.500 -0.317 0.000 2.237 184 R HA -0.032 4.307 4.340 -0.000 0.000 0.219 184 R C 0.645 176.927 176.300 -0.030 0.000 1.080 184 R CA 0.904 56.984 56.100 -0.034 0.000 0.995 184 R CB -0.453 29.892 30.300 0.076 0.000 0.875 184 R HN 0.491 nan 8.270 nan 0.000 0.462 185 E N 0.648 120.816 120.200 -0.054 0.000 2.481 185 E HA 0.046 4.395 4.350 -0.000 0.000 0.195 185 E C 1.051 177.626 176.600 -0.041 0.000 1.047 185 E CA 0.737 57.122 56.400 -0.025 0.000 0.867 185 E CB 0.300 30.000 29.700 -0.000 0.000 0.858 185 E HN 0.593 nan 8.360 nan 0.000 0.513 186 G N 0.876 109.632 108.800 -0.073 0.000 2.184 186 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 186 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 186 G C 0.277 175.116 174.900 -0.102 0.000 0.995 186 G CA 0.146 45.202 45.100 -0.073 0.000 0.651 186 G HN 0.265 nan 8.290 nan 0.000 0.511 187 T N 1.769 116.241 114.554 -0.137 0.000 2.856 187 T HA 0.601 4.951 4.350 -0.000 0.000 0.292 187 T C 0.522 175.132 174.700 -0.150 0.000 0.980 187 T CA 0.540 62.510 62.100 -0.216 0.000 1.091 187 T CB 1.173 69.777 68.868 -0.440 0.000 0.936 187 T HN 0.956 nan 8.240 nan 0.000 0.503 188 I N 0.897 121.390 120.570 -0.129 0.000 2.608 188 I HA 0.824 4.994 4.170 -0.000 0.000 0.295 188 I C -0.815 175.312 176.117 0.017 0.000 1.049 188 I CA -1.027 60.273 61.300 0.001 0.000 1.063 188 I CB 2.358 40.377 38.000 0.032 0.000 1.248 188 I HN 0.474 nan 8.210 nan 0.000 0.424 189 N N 3.372 122.171 118.700 0.165 0.000 2.308 189 N HA 0.497 5.237 4.740 -0.000 0.000 0.283 189 N C -2.084 173.619 175.510 0.322 0.000 1.105 189 N CA -0.535 52.645 53.050 0.218 0.000 0.840 189 N CB 2.116 40.764 38.487 0.268 0.000 1.633 189 N HN 0.717 nan 8.380 nan 0.000 0.476 190 Y N 1.610 122.034 120.300 0.206 0.000 2.376 190 Y HA 0.722 5.272 4.550 -0.000 0.000 0.340 190 Y C -1.471 174.559 175.900 0.217 0.000 0.965 190 Y CA -0.501 57.726 58.100 0.212 0.000 1.078 190 Y CB 1.696 40.269 38.460 0.187 0.000 1.193 190 Y HN 0.480 nan 8.280 nan 0.000 0.452 191 S N 6.606 121.872 115.700 -0.724 0.000 2.614 191 S HA 0.311 4.781 4.470 -0.000 0.000 0.288 191 S C -1.489 172.716 174.600 -0.659 0.000 1.137 191 S CA -0.604 57.255 58.200 -0.568 0.000 0.992 191 S CB 0.757 63.856 63.200 -0.168 0.000 1.026 191 S HN 0.627 nan 8.310 nan 0.000 0.486 192 F N 4.392 123.970 119.950 -0.619 0.000 2.567 192 F HA 0.363 4.890 4.527 -0.000 0.000 0.352 192 F C 0.379 176.049 175.800 -0.217 0.000 1.229 192 F CA -0.612 57.188 58.000 -0.333 0.000 1.228 192 F CB -0.440 38.402 39.000 -0.262 0.000 1.568 192 F HN 0.580 nan 8.300 nan 0.000 0.634 193 N N 2.827 121.350 118.700 -0.295 0.000 2.445 193 N HA 0.714 5.454 4.740 -0.000 0.000 0.264 193 N C -0.136 175.210 175.510 -0.273 0.000 1.227 193 N CA 0.676 53.595 53.050 -0.218 0.000 0.963 193 N CB 1.183 39.581 38.487 -0.148 0.000 1.188 193 N HN 0.790 nan 8.380 nan 0.000 0.491 194 G N -0.743 107.951 108.800 -0.178 0.000 2.347 194 G HA2 0.085 4.044 3.960 -0.000 0.000 0.321 194 G HA3 0.085 4.044 3.960 -0.000 0.000 0.321 194 G C -1.822 173.016 174.900 -0.104 0.000 1.412 194 G CA -0.749 44.247 45.100 -0.173 0.000 0.990 194 G HN 0.498 nan 8.290 nan 0.000 0.637 195 V N 1.225 121.080 119.914 -0.099 0.000 2.288 195 V HA 0.632 4.752 4.120 -0.000 0.000 0.266 195 V C 0.810 176.845 176.094 -0.098 0.000 1.048 195 V CA 0.217 62.474 62.300 -0.072 0.000 0.842 195 V CB 0.611 32.397 31.823 -0.062 0.000 1.064 195 V HN 1.595 nan 8.190 nan 0.000 0.472 196 A N 8.630 131.422 122.820 -0.046 0.000 2.271 196 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 196 A C -2.479 175.029 177.584 -0.128 0.000 1.245 196 A CA -1.804 50.199 52.037 -0.057 0.000 0.857 196 A CB 0.863 19.933 19.000 0.116 0.000 1.175 196 A HN 0.546 nan 8.150 nan 0.000 0.512 197 P HA 0.137 nan 4.420 nan 0.000 0.271 197 P C -0.782 176.200 177.300 -0.530 0.000 1.216 197 P CA -0.065 62.606 63.100 -0.715 0.000 0.776 197 P CB 0.721 31.328 31.700 -1.822 0.000 0.881 198 K N 3.521 123.671 120.400 -0.417 0.000 2.339 198 K HA 0.247 4.567 4.320 -0.000 0.000 0.286 198 K C 0.485 176.928 176.600 -0.262 0.000 1.050 198 K CA -0.025 56.063 56.287 -0.332 0.000 0.956 198 K CB 0.667 32.961 32.500 -0.343 0.000 0.990 198 K HN 0.390 nan 8.250 nan 0.000 0.475 199 R N 0.934 121.256 120.500 -0.297 0.000 2.670 199 R HA 0.284 4.624 4.340 -0.000 0.000 0.289 199 R C 0.236 176.621 176.300 0.141 0.000 0.965 199 R CA -0.388 55.556 56.100 -0.259 0.000 0.899 199 R CB 1.689 31.415 30.300 -0.958 0.000 1.173 199 R HN 0.723 nan 8.270 nan 0.000 0.456 200 A N 2.145 125.097 122.820 0.220 0.000 2.218 200 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 200 A C 0.039 177.772 177.584 0.249 0.000 1.168 200 A CA 0.790 52.957 52.037 0.217 0.000 0.804 200 A CB -0.203 18.888 19.000 0.152 0.000 0.834 200 A HN 0.790 nan 8.150 nan 0.000 0.482 201 E N -3.335 117.079 120.200 0.357 0.000 2.396 201 E HA 0.497 4.847 4.350 -0.000 0.000 0.280 201 E C -0.261 176.597 176.600 0.430 0.000 1.065 201 E CA -0.772 55.804 56.400 0.292 0.000 0.831 201 E CB 0.553 30.333 29.700 0.133 0.000 1.272 201 E HN 1.349 nan 8.360 nan 0.000 0.443 202 G N 1.777 110.695 108.800 0.198 0.000 2.907 202 G HA2 0.085 4.044 3.960 -0.000 0.000 0.686 202 G HA3 0.085 4.044 3.960 -0.000 0.000 0.686 202 G C -0.861 174.368 174.900 0.550 0.000 1.115 202 G CA -0.270 44.905 45.100 0.126 0.000 0.760 202 G HN 0.952 nan 8.290 nan 0.000 0.620 203 D N 0.904 121.554 120.400 0.415 0.000 2.451 203 D HA 0.504 5.144 4.640 -0.000 0.000 0.259 203 D C 1.885 178.531 176.300 0.577 0.000 1.201 203 D CA -0.491 53.776 54.000 0.445 0.000 1.028 203 D CB 0.718 41.682 40.800 0.275 0.000 1.095 203 D HN 0.598 nan 8.370 nan 0.000 0.539 204 I N -0.196 120.653 120.570 0.465 0.000 2.194 204 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 204 I C 2.075 178.403 176.117 0.351 0.000 1.093 204 I CA 1.918 63.476 61.300 0.430 0.000 1.355 204 I CB -0.251 37.938 38.000 0.315 0.000 1.046 204 I HN 0.539 nan 8.210 nan 0.000 0.413 205 A N 0.382 123.367 122.820 0.275 0.000 1.940 205 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 205 A C 2.190 179.869 177.584 0.159 0.000 1.176 205 A CA 1.870 54.020 52.037 0.189 0.000 0.631 205 A CB -1.188 17.906 19.000 0.157 0.000 0.814 205 A HN 0.630 nan 8.150 nan 0.000 0.446 206 F N -0.917 119.064 119.950 0.052 0.000 2.102 206 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 206 F C 1.697 177.363 175.800 -0.223 0.000 1.105 206 F CA 1.582 59.508 58.000 -0.125 0.000 1.239 206 F CB -0.405 38.476 39.000 -0.198 0.000 0.991 206 F HN 0.360 nan 8.300 nan 0.000 0.474 207 W N 0.633 121.962 121.300 0.049 0.000 3.180 207 W HA 0.097 4.757 4.660 -0.000 0.000 0.254 207 W C 1.963 178.415 176.519 -0.112 0.000 1.318 207 W CA 0.247 57.542 57.345 -0.084 0.000 1.608 207 W CB -0.267 29.240 29.460 0.078 0.000 1.124 207 W HN 0.128 nan 8.180 nan 0.000 0.694 208 Q N -0.735 119.108 119.800 0.071 0.000 2.378 208 Q HA 0.159 4.498 4.340 -0.000 0.000 0.216 208 Q C 1.477 177.441 176.000 -0.061 0.000 0.892 208 Q CA 0.278 56.102 55.803 0.036 0.000 0.931 208 Q CB 0.442 29.224 28.738 0.073 0.000 1.086 208 Q HN 0.180 nan 8.270 nan 0.000 0.528 209 G N 0.187 108.894 108.800 -0.155 0.000 2.583 209 G HA2 0.468 4.427 3.960 -0.000 0.000 0.280 209 G HA3 0.468 4.427 3.960 -0.000 0.000 0.280 209 G C -0.680 174.058 174.900 -0.269 0.000 1.376 209 G CA -0.745 44.245 45.100 -0.183 0.000 1.043 209 G HN 0.064 nan 8.290 nan 0.000 0.538 210 L N 0.671 121.747 121.223 -0.245 0.000 2.433 210 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 210 L C 0.046 176.663 176.870 -0.422 0.000 1.128 210 L CA -0.384 54.298 54.840 -0.264 0.000 0.875 210 L CB 0.949 42.910 42.059 -0.163 0.000 1.171 210 L HN -0.000 nan 8.230 nan 0.000 0.463 211 V N 5.829 125.417 119.914 -0.544 0.000 2.607 211 V HA 0.243 4.362 4.120 -0.000 0.000 0.289 211 V C -1.986 173.887 176.094 -0.369 0.000 1.053 211 V CA -1.775 60.077 62.300 -0.748 0.000 0.996 211 V CB 1.388 32.642 31.823 -0.948 0.000 0.995 211 V HN 0.608 nan 8.190 nan 0.000 0.476 212 P HA 0.089 nan 4.420 nan 0.000 0.263 212 P C 0.602 178.033 177.300 0.218 0.000 1.195 212 P CA 0.398 63.446 63.100 -0.086 0.000 0.762 212 P CB 0.499 32.126 31.700 -0.121 0.000 0.799 213 G N 2.186 111.110 108.800 0.206 0.000 3.523 213 G HA2 0.011 3.971 3.960 -0.000 0.000 0.270 213 G HA3 0.011 3.971 3.960 -0.000 0.000 0.270 213 G C 0.149 175.309 174.900 0.434 0.000 1.134 213 G CA -0.194 45.021 45.100 0.192 0.000 0.825 213 G HN 0.488 nan 8.290 nan 0.000 0.534 214 D N -0.885 119.744 120.400 0.382 0.000 2.501 214 D HA 0.216 4.856 4.640 -0.000 0.000 0.226 214 D C 0.255 176.654 176.300 0.165 0.000 1.198 214 D CA -0.517 53.688 54.000 0.342 0.000 0.830 214 D CB 0.475 41.402 40.800 0.212 0.000 1.014 214 D HN -0.007 nan 8.370 nan 0.000 0.496 215 S N -0.543 115.258 115.700 0.169 0.000 2.566 215 S HA 0.329 4.799 4.470 -0.000 0.000 0.273 215 S C 0.652 175.148 174.600 -0.173 0.000 1.157 215 S CA -0.185 57.937 58.200 -0.130 0.000 0.938 215 S CB 1.296 64.553 63.200 0.095 0.000 1.087 215 S HN 0.079 nan 8.310 nan 0.000 0.474 216 S N 3.935 119.320 115.700 -0.524 0.000 2.507 216 S HA -0.065 4.404 4.470 -0.000 0.000 0.235 216 S C 1.633 176.210 174.600 -0.038 0.000 0.988 216 S CA 0.619 58.726 58.200 -0.155 0.000 0.944 216 S CB -0.363 62.748 63.200 -0.149 0.000 0.762 216 S HN 0.759 nan 8.310 nan 0.000 0.526 217 R N 0.087 120.489 120.500 -0.162 0.000 2.193 217 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 217 R C 0.628 176.774 176.300 -0.257 0.000 1.110 217 R CA 1.330 57.256 56.100 -0.290 0.000 0.988 217 R CB -0.194 29.782 30.300 -0.540 0.000 0.871 217 R HN 0.614 nan 8.270 nan 0.000 0.458 218 Y N -0.993 119.510 120.300 0.338 0.000 2.467 218 Y HA 0.192 4.742 4.550 -0.000 0.000 0.250 218 Y C -0.158 176.124 175.900 0.636 0.000 1.155 218 Y CA -0.656 57.803 58.100 0.600 0.000 1.249 218 Y CB 0.501 39.324 38.460 0.604 0.000 1.146 218 Y HN -0.047 nan 8.280 nan 0.000 0.524 219 L N 3.708 125.176 121.223 0.408 0.000 2.334 219 L HA 0.187 4.527 4.340 -0.000 0.000 0.286 219 L C 0.201 177.146 176.870 0.125 0.000 1.108 219 L CA -0.869 54.054 54.840 0.139 0.000 0.875 219 L CB -0.366 41.701 42.059 0.013 0.000 1.246 219 L HN 0.172 nan 8.230 nan 0.000 0.439 220 W N 3.124 124.572 121.300 0.247 0.000 2.129 220 W HA 0.450 5.110 4.660 -0.000 0.000 0.349 220 W C 0.154 176.706 176.519 0.056 0.000 1.279 220 W CA -0.097 57.302 57.345 0.090 0.000 1.306 220 W CB -0.041 29.396 29.460 -0.038 0.000 1.140 220 W HN 0.613 nan 8.180 nan 0.000 0.613 221 T N -3.283 111.500 114.554 0.380 0.000 3.254 221 T HA 0.043 4.392 4.350 -0.000 0.000 0.267 221 T C 0.241 175.086 174.700 0.241 0.000 0.946 221 T CA -0.131 62.118 62.100 0.248 0.000 0.991 221 T CB 0.342 69.274 68.868 0.106 0.000 1.205 221 T HN 0.278 nan 8.240 nan 0.000 0.494 222 E N 2.898 123.188 120.200 0.150 0.000 2.314 222 E HA 0.551 4.901 4.350 -0.000 0.000 0.262 222 E C -0.098 176.485 176.600 -0.028 0.000 1.093 222 E CA -0.035 56.392 56.400 0.046 0.000 0.908 222 E CB 1.393 31.087 29.700 -0.011 0.000 1.091 222 E HN 0.661 nan 8.360 nan 0.000 0.425 223 T N -1.963 112.547 114.554 -0.073 0.000 2.916 223 T HA 0.355 4.705 4.350 -0.000 0.000 0.292 223 T C -0.084 174.538 174.700 -0.131 0.000 1.055 223 T CA -0.899 61.123 62.100 -0.130 0.000 1.009 223 T CB 1.078 69.906 68.868 -0.065 0.000 1.118 223 T HN 0.264 nan 8.240 nan 0.000 0.497 224 H N 2.438 121.495 119.070 -0.022 0.000 2.764 224 H HA 0.335 4.891 4.556 -0.000 0.000 0.341 224 H C -1.904 173.423 175.328 -0.003 0.000 1.072 224 H CA -0.818 55.235 56.048 0.009 0.000 1.444 224 H CB 1.019 30.804 29.762 0.038 0.000 1.458 224 H HN 0.532 nan 8.280 nan 0.000 0.572 225 P HA -0.020 nan 4.420 nan 0.000 0.278 225 P C 1.065 178.398 177.300 0.056 0.000 1.258 225 P CA -0.628 62.508 63.100 0.060 0.000 0.811 225 P CB 1.516 33.242 31.700 0.043 0.000 1.063 226 L N 1.690 122.917 121.223 0.007 0.000 2.021 226 L HA -0.207 4.132 4.340 -0.000 0.000 0.215 226 L C 1.771 178.653 176.870 0.020 0.000 1.074 226 L CA 2.289 57.123 54.840 -0.011 0.000 0.760 226 L CB -1.509 40.514 42.059 -0.061 0.000 0.889 226 L HN 0.472 nan 8.230 nan 0.000 0.433 227 D N -2.388 118.027 120.400 0.026 0.000 2.403 227 D HA -0.183 4.457 4.640 -0.000 0.000 0.227 227 D C 0.702 177.046 176.300 0.074 0.000 0.995 227 D CA 0.819 54.846 54.000 0.045 0.000 0.928 227 D CB -0.257 40.560 40.800 0.029 0.000 0.887 227 D HN 0.424 nan 8.370 nan 0.000 0.529 228 D N -0.236 120.217 120.400 0.089 0.000 2.367 228 D HA 0.101 4.741 4.640 -0.000 0.000 0.207 228 D C 0.335 176.722 176.300 0.145 0.000 1.034 228 D CA -0.036 54.023 54.000 0.099 0.000 0.861 228 D CB 0.518 41.395 40.800 0.128 0.000 0.943 228 D HN 0.115 nan 8.370 nan 0.000 0.515 229 L N 0.994 122.281 121.223 0.107 0.000 2.360 229 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 229 L C -2.113 174.737 176.870 -0.034 0.000 1.057 229 L CA -2.557 52.298 54.840 0.025 0.000 0.803 229 L CB 0.250 42.331 42.059 0.036 0.000 1.207 229 L HN -0.293 nan 8.230 nan 0.000 0.445 230 P HA 0.162 nan 4.420 nan 0.000 0.263 230 P C -0.610 176.672 177.300 -0.031 0.000 1.195 230 P CA 0.342 63.056 63.100 -0.643 0.000 0.762 230 P CB 0.464 31.540 31.700 -1.041 0.000 0.799 231 R N 1.866 122.498 120.500 0.220 0.000 2.668 231 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 231 R C -1.574 174.989 176.300 0.438 0.000 1.019 231 R CA -0.964 55.298 56.100 0.269 0.000 0.894 231 R CB 2.202 32.597 30.300 0.159 0.000 1.228 231 R HN 0.143 nan 8.270 nan 0.000 0.460 232 V N 1.149 121.304 119.914 0.402 0.000 2.686 232 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 232 V C -0.617 175.609 176.094 0.220 0.000 1.065 232 V CA -0.671 61.815 62.300 0.310 0.000 0.894 232 V CB 2.377 34.364 31.823 0.274 0.000 1.004 232 V HN 0.792 nan 8.190 nan 0.000 0.424 233 T N 2.992 117.632 114.554 0.143 0.000 2.881 233 T HA 0.388 4.737 4.350 -0.000 0.000 0.291 233 T C -0.015 174.691 174.700 0.010 0.000 0.990 233 T CA -0.585 61.558 62.100 0.072 0.000 0.976 233 T CB 0.733 69.658 68.868 0.094 0.000 0.970 233 T HN 0.830 nan 8.240 nan 0.000 0.438 234 N N 2.374 121.056 118.700 -0.031 0.000 2.669 234 N HA -0.137 4.603 4.740 -0.000 0.000 0.266 234 N C -2.414 173.074 175.510 -0.036 0.000 1.024 234 N CA -0.141 52.883 53.050 -0.044 0.000 0.766 234 N CB -0.557 37.894 38.487 -0.059 0.000 0.898 234 N HN 0.445 nan 8.380 nan 0.000 0.548 235 P HA 0.096 nan 4.420 nan 0.000 0.274 235 P C -1.814 175.435 177.300 -0.085 0.000 1.246 235 P CA -1.132 61.921 63.100 -0.079 0.000 0.795 235 P CB 0.696 32.313 31.700 -0.138 0.000 1.006 236 P HA -0.135 nan 4.420 nan 0.000 0.216 236 P C 1.643 178.907 177.300 -0.060 0.000 1.150 236 P CA 1.960 65.018 63.100 -0.070 0.000 0.843 236 P CB -0.505 31.145 31.700 -0.084 0.000 0.787 237 G N -1.373 107.369 108.800 -0.096 0.000 2.509 237 G HA2 0.053 4.012 3.960 -0.000 0.000 0.218 237 G HA3 0.053 4.012 3.960 -0.000 0.000 0.218 237 G C 1.208 176.148 174.900 0.066 0.000 1.124 237 G CA 0.662 45.746 45.100 -0.027 0.000 0.776 237 G HN 0.466 nan 8.290 nan 0.000 0.547 238 G N -1.295 107.500 108.800 -0.009 0.000 2.148 238 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.254 238 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.254 238 G C 0.162 175.151 174.900 0.147 0.000 0.981 238 G CA 0.605 45.738 45.100 0.055 0.000 0.670 238 G HN 1.548 nan 8.290 nan 0.000 0.528 239 F N -2.566 117.384 119.950 0.001 0.000 2.713 239 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 239 F C -1.176 174.660 175.800 0.060 0.000 1.141 239 F CA -1.657 56.351 58.000 0.012 0.000 0.939 239 F CB 1.455 40.431 39.000 -0.040 0.000 1.325 239 F HN 0.374 nan 8.300 nan 0.000 0.453 240 V N 1.993 122.047 119.914 0.234 0.000 2.841 240 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 240 V C -1.587 174.759 176.094 0.419 0.000 1.090 240 V CA -0.188 62.206 62.300 0.157 0.000 0.930 240 V CB 2.207 34.145 31.823 0.193 0.000 1.014 240 V HN 1.173 nan 8.190 nan 0.000 0.425 241 Q N 4.142 124.129 119.800 0.313 0.000 2.575 241 Q HA 0.605 4.944 4.340 -0.000 0.000 0.290 241 Q C -1.413 174.687 176.000 0.167 0.000 0.963 241 Q CA -0.685 55.370 55.803 0.420 0.000 0.783 241 Q CB 1.706 30.845 28.738 0.669 0.000 1.467 241 Q HN 0.604 nan 8.270 nan 0.000 0.402 242 N N 0.097 118.925 118.700 0.214 0.000 2.666 242 N HA 0.245 4.985 4.740 -0.000 0.000 0.260 242 N C -1.556 174.016 175.510 0.104 0.000 1.077 242 N CA -0.174 52.945 53.050 0.115 0.000 1.026 242 N CB 1.903 40.472 38.487 0.137 0.000 1.653 242 N HN 0.593 nan 8.380 nan 0.000 0.533 243 S N 2.521 118.265 115.700 0.074 0.000 2.592 243 S HA 0.278 4.748 4.470 -0.000 0.000 0.243 243 S C 0.373 174.984 174.600 0.019 0.000 1.160 243 S CA -0.370 57.845 58.200 0.024 0.000 1.145 243 S CB -0.576 62.669 63.200 0.076 0.000 0.909 243 S HN 0.812 nan 8.310 nan 0.000 0.487 244 N N 1.472 120.192 118.700 0.032 0.000 2.965 244 N HA -0.149 4.591 4.740 -0.000 0.000 0.232 244 N C -0.608 174.897 175.510 -0.009 0.000 0.913 244 N CA 1.194 54.267 53.050 0.040 0.000 0.981 244 N CB -0.942 37.577 38.487 0.054 0.000 1.077 244 N HN 0.609 nan 8.380 nan 0.000 0.589 245 D N 0.651 121.002 120.400 -0.082 0.000 2.344 245 D HA 0.277 4.917 4.640 -0.000 0.000 0.244 245 D C -2.394 173.741 176.300 -0.275 0.000 1.134 245 D CA -1.264 52.581 54.000 -0.258 0.000 0.930 245 D CB 0.065 40.577 40.800 -0.480 0.000 1.175 245 D HN -0.074 nan 8.370 nan 0.000 0.437 246 P HA 0.053 nan 4.420 nan 0.000 0.267 246 P C -1.807 175.150 177.300 -0.571 0.000 1.201 246 P CA -0.708 62.167 63.100 -0.374 0.000 0.775 246 P CB -0.104 31.488 31.700 -0.180 0.000 0.854 247 P HA -0.060 nan 4.420 nan 0.000 0.279 247 P C -0.003 177.040 177.300 -0.428 0.000 1.451 247 P CA 0.677 63.403 63.100 -0.624 0.000 0.783 247 P CB -0.547 30.735 31.700 -0.698 0.000 1.490 248 W N 0.467 121.913 121.300 0.244 0.000 3.139 248 W HA 0.079 4.738 4.660 -0.000 0.000 0.260 248 W C 0.680 177.376 176.519 0.296 0.000 1.312 248 W CA 0.207 57.755 57.345 0.338 0.000 1.606 248 W CB 0.053 29.755 29.460 0.404 0.000 1.118 248 W HN 0.082 nan 8.180 nan 0.000 0.675 249 T N -3.692 111.112 114.554 0.417 0.000 3.839 249 T HA 0.153 4.503 4.350 -0.000 0.000 0.230 249 T C -1.681 173.118 174.700 0.164 0.000 1.095 249 T CA -1.250 61.064 62.100 0.357 0.000 1.470 249 T CB 0.667 69.824 68.868 0.483 0.000 0.881 249 T HN -0.218 nan 8.240 nan 0.000 0.637 250 P HA 0.131 nan 4.420 nan 0.000 0.233 250 P C 0.472 177.684 177.300 -0.147 0.000 1.167 250 P CA 0.742 63.699 63.100 -0.239 0.000 0.770 250 P CB 0.394 31.764 31.700 -0.551 0.000 0.837 251 T N -1.931 112.546 114.554 -0.128 0.000 2.769 251 T HA 0.432 4.782 4.350 -0.000 0.000 0.306 251 T C -2.713 171.977 174.700 -0.018 0.000 1.400 251 T CA -0.685 61.165 62.100 -0.417 0.000 1.007 251 T CB 1.248 69.809 68.868 -0.510 0.000 1.392 251 T HN -0.031 nan 8.240 nan 0.000 0.500 252 W N 4.921 126.010 121.300 -0.352 0.000 2.968 252 W HA 0.438 5.098 4.660 -0.000 0.000 0.337 252 W C -2.661 173.838 176.519 -0.033 0.000 1.060 252 W CA -2.006 55.325 57.345 -0.024 0.000 1.240 252 W CB 1.905 31.498 29.460 0.221 0.000 1.370 252 W HN 0.593 nan 8.180 nan 0.000 0.459 253 P HA 0.058 nan 4.420 nan 0.000 0.272 253 P C 0.087 177.165 177.300 -0.370 0.000 1.230 253 P CA 0.109 62.787 63.100 -0.704 0.000 0.788 253 P CB 1.338 32.695 31.700 -0.572 0.000 0.949 254 V N -1.072 118.630 119.914 -0.353 0.000 3.185 254 V HA 0.293 4.412 4.120 -0.000 0.000 0.305 254 V C 1.191 177.155 176.094 -0.216 0.000 1.090 254 V CA 0.718 62.896 62.300 -0.203 0.000 1.107 254 V CB -0.106 31.662 31.823 -0.092 0.000 1.061 254 V HN 0.807 nan 8.190 nan 0.000 0.480 255 T N -1.165 113.226 114.554 -0.272 0.000 3.145 255 T HA 0.468 4.818 4.350 -0.000 0.000 0.281 255 T C -0.169 174.545 174.700 0.023 0.000 1.003 255 T CA 0.409 62.429 62.100 -0.134 0.000 0.901 255 T CB -0.569 68.253 68.868 -0.077 0.000 1.112 255 T HN 1.578 nan 8.240 nan 0.000 0.535 256 Y N -1.393 118.998 120.300 0.152 0.000 2.810 256 Y HA 0.654 5.204 4.550 -0.000 0.000 0.355 256 Y C -1.014 175.019 175.900 0.221 0.000 1.211 256 Y CA -1.368 56.851 58.100 0.199 0.000 1.112 256 Y CB 0.447 39.119 38.460 0.353 0.000 1.383 256 Y HN 0.209 nan 8.280 nan 0.000 0.458 257 T N -3.045 111.805 114.554 0.494 0.000 2.883 257 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 257 T C -2.712 171.972 174.700 -0.027 0.000 1.117 257 T CA -2.334 59.900 62.100 0.223 0.000 1.006 257 T CB 2.395 71.287 68.868 0.039 0.000 1.191 257 T HN 0.352 nan 8.240 nan 0.000 0.508 258 P HA -0.230 nan 4.420 nan 0.000 0.217 258 P C 1.351 178.468 177.300 -0.304 0.000 1.158 258 P CA 1.859 64.373 63.100 -0.976 0.000 0.887 258 P CB -0.096 31.023 31.700 -0.967 0.000 0.792 259 K N -0.907 119.378 120.400 -0.191 0.000 2.360 259 K HA -0.154 4.165 4.320 -0.000 0.000 0.201 259 K C 0.950 177.479 176.600 -0.119 0.000 1.046 259 K CA 1.644 57.863 56.287 -0.115 0.000 0.940 259 K CB -0.713 31.733 32.500 -0.090 0.000 0.748 259 K HN 0.110 nan 8.250 nan 0.000 0.465 260 D N -0.221 120.101 120.400 -0.129 0.000 2.349 260 D HA 0.077 4.717 4.640 -0.000 0.000 0.224 260 D C -0.475 175.347 176.300 -0.796 0.000 1.029 260 D CA 0.600 54.364 54.000 -0.393 0.000 0.879 260 D CB 0.043 40.588 40.800 -0.425 0.000 0.906 260 D HN 0.149 nan 8.370 nan 0.000 0.528 261 F N -0.653 119.223 119.950 -0.124 0.000 2.643 261 F HA 0.354 4.881 4.527 -0.000 0.000 0.314 261 F C -2.174 173.507 175.800 -0.198 0.000 1.096 261 F CA -2.555 55.352 58.000 -0.154 0.000 0.953 261 F CB 0.755 39.685 39.000 -0.118 0.000 1.345 261 F HN -0.410 nan 8.300 nan 0.000 0.468 262 P HA 0.065 nan 4.420 nan 0.000 0.265 262 P C 0.467 177.568 177.300 -0.331 0.000 1.193 262 P CA 0.111 62.977 63.100 -0.390 0.000 0.765 262 P CB 0.714 31.848 31.700 -0.943 0.000 0.823 263 S N 1.718 117.328 115.700 -0.150 0.000 2.584 263 S HA -0.184 4.286 4.470 -0.000 0.000 0.240 263 S C 1.129 175.810 174.600 0.135 0.000 0.975 263 S CA 0.732 58.951 58.200 0.031 0.000 0.949 263 S CB -1.172 62.092 63.200 0.107 0.000 0.761 263 S HN 0.586 nan 8.310 nan 0.000 0.536 264 Y N -1.050 119.362 120.300 0.185 0.000 2.444 264 Y HA 0.536 5.086 4.550 -0.000 0.000 0.249 264 Y C 1.452 177.429 175.900 0.127 0.000 1.134 264 Y CA -1.151 57.065 58.100 0.194 0.000 1.261 264 Y CB -0.462 38.104 38.460 0.177 0.000 1.143 264 Y HN 0.122 nan 8.280 nan 0.000 0.523 265 L N 0.801 122.051 121.223 0.046 0.000 2.027 265 L HA 0.151 4.490 4.340 -0.000 0.000 0.206 265 L C 1.058 178.019 176.870 0.152 0.000 1.074 265 L CA 1.150 56.047 54.840 0.094 0.000 0.745 265 L CB -0.312 41.673 42.059 -0.122 0.000 0.898 265 L HN 0.403 nan 8.230 nan 0.000 0.433 266 A N -1.314 121.558 122.820 0.087 0.000 2.556 266 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 266 A C -2.553 175.177 177.584 0.243 0.000 1.091 266 A CA -1.149 50.942 52.037 0.091 0.000 0.704 266 A CB 1.168 19.928 19.000 -0.401 0.000 1.300 266 A HN -0.144 nan 8.150 nan 0.000 0.406 267 P HA 0.275 nan 4.420 nan 0.000 0.274 267 P C -0.922 176.636 177.300 0.430 0.000 1.256 267 P CA 0.039 63.301 63.100 0.269 0.000 0.795 267 P CB 0.733 32.545 31.700 0.186 0.000 1.038 268 Q N -0.309 119.718 119.800 0.378 0.000 2.318 268 Q HA 0.182 4.521 4.340 -0.000 0.000 0.371 268 Q C 0.040 176.228 176.000 0.312 0.000 0.896 268 Q CA -0.275 55.794 55.803 0.444 0.000 1.134 268 Q CB 0.446 29.347 28.738 0.271 0.000 1.329 268 Q HN 0.526 nan 8.270 nan 0.000 0.413 269 T N -2.802 111.878 114.554 0.210 0.000 2.902 269 T HA 0.477 4.826 4.350 -0.000 0.000 0.280 269 T C -2.489 172.086 174.700 -0.209 0.000 0.992 269 T CA -2.167 59.971 62.100 0.063 0.000 1.015 269 T CB 0.969 69.867 68.868 0.050 0.000 1.044 269 T HN -0.125 nan 8.240 nan 0.000 0.520 270 P HA 0.111 nan 4.420 nan 0.000 0.262 270 P C -0.438 176.392 177.300 -0.783 0.000 1.182 270 P CA 0.087 62.513 63.100 -1.123 0.000 0.761 270 P CB 0.024 31.437 31.700 -0.478 0.000 0.795 271 H N 0.397 118.686 119.070 -1.301 0.000 2.764 271 H HA 0.161 4.717 4.556 -0.000 0.000 0.341 271 H C 0.950 176.132 175.328 -0.244 0.000 1.072 271 H CA -0.355 55.421 56.048 -0.454 0.000 1.444 271 H CB 0.051 29.739 29.762 -0.124 0.000 1.458 271 H HN 0.344 nan 8.280 nan 0.000 0.572 272 S N 2.634 118.341 115.700 0.011 0.000 2.580 272 S HA 0.011 4.480 4.470 -0.000 0.000 0.266 272 S C 1.562 176.240 174.600 0.130 0.000 1.354 272 S CA -0.622 57.619 58.200 0.069 0.000 1.008 272 S CB 0.500 63.753 63.200 0.088 0.000 0.898 272 S HN 0.626 nan 8.310 nan 0.000 0.555 273 L N 0.743 122.063 121.223 0.163 0.000 2.201 273 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 273 L C 2.950 179.942 176.870 0.203 0.000 1.105 273 L CA 1.509 56.462 54.840 0.189 0.000 0.775 273 L CB -0.570 41.623 42.059 0.223 0.000 0.913 273 L HN 0.830 nan 8.230 nan 0.000 0.440 274 R N 0.750 121.373 120.500 0.205 0.000 2.073 274 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 274 R C 2.323 178.783 176.300 0.268 0.000 1.120 274 R CA 1.304 57.546 56.100 0.237 0.000 0.967 274 R CB -0.183 30.221 30.300 0.173 0.000 0.862 274 R HN 0.263 nan 8.270 nan 0.000 0.436 275 A N 0.705 123.644 122.820 0.200 0.000 1.969 275 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 275 A C 1.996 179.714 177.584 0.223 0.000 1.169 275 A CA 1.167 53.322 52.037 0.196 0.000 0.635 275 A CB -0.305 18.754 19.000 0.098 0.000 0.810 275 A HN 0.508 nan 8.150 nan 0.000 0.445 276 Q N -0.996 118.930 119.800 0.209 0.000 2.123 276 Q HA -0.151 4.188 4.340 -0.000 0.000 0.199 276 Q C 2.234 178.303 176.000 0.115 0.000 0.966 276 Q CA 1.177 57.081 55.803 0.168 0.000 0.845 276 Q CB -0.148 28.690 28.738 0.167 0.000 0.907 276 Q HN 0.581 nan 8.270 nan 0.000 0.439 277 Q N 0.052 119.946 119.800 0.156 0.000 2.124 277 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 277 Q C 2.198 178.248 176.000 0.082 0.000 0.977 277 Q CA 1.188 57.059 55.803 0.114 0.000 0.850 277 Q CB -0.345 28.508 28.738 0.192 0.000 0.901 277 Q HN 0.234 nan 8.270 nan 0.000 0.429 278 S N -0.088 115.756 115.700 0.240 0.000 2.353 278 S HA -0.132 4.337 4.470 -0.000 0.000 0.222 278 S C 2.057 176.742 174.600 0.141 0.000 1.035 278 S CA 1.497 59.896 58.200 0.332 0.000 1.025 278 S CB -0.153 63.394 63.200 0.578 0.000 0.902 278 S HN 0.204 nan 8.310 nan 0.000 0.440 279 V N 2.555 122.535 119.914 0.110 0.000 2.343 279 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 279 V C 2.745 178.725 176.094 -0.190 0.000 1.051 279 V CA 1.893 64.200 62.300 0.011 0.000 1.036 279 V CB -0.706 31.130 31.823 0.023 0.000 0.654 279 V HN 0.434 nan 8.190 nan 0.000 0.451 280 R N -0.515 119.885 120.500 -0.167 0.000 2.066 280 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 280 R C 1.234 177.368 176.300 -0.276 0.000 1.131 280 R CA 0.630 56.607 56.100 -0.205 0.000 0.955 280 R CB -0.463 29.755 30.300 -0.138 0.000 0.851 280 R HN 0.362 nan 8.270 nan 0.000 0.432 284 E N 1.708 121.803 120.200 -0.174 0.000 2.481 284 E HA 0.252 4.601 4.350 -0.000 0.000 0.195 284 E C -0.363 176.158 176.600 -0.133 0.000 1.047 284 E CA 0.080 56.407 56.400 -0.121 0.000 0.867 284 E CB 0.106 29.729 29.700 -0.128 0.000 0.858 284 E HN 0.456 nan 8.360 nan 0.000 0.513 285 N N 1.057 119.647 118.700 -0.184 0.000 2.321 285 N HA 0.206 4.945 4.740 -0.000 0.000 0.299 285 N C -1.219 174.210 175.510 -0.135 0.000 1.048 285 N CA -0.325 52.627 53.050 -0.164 0.000 0.836 285 N CB 2.024 40.385 38.487 -0.209 0.000 1.269 285 N HN -0.065 nan 8.380 nan 0.000 0.486 286 D N -0.701 119.641 120.400 -0.096 0.000 2.493 286 D HA 0.251 4.890 4.640 -0.000 0.000 0.239 286 D C -0.635 175.624 176.300 -0.069 0.000 1.049 286 D CA -0.107 53.850 54.000 -0.071 0.000 1.008 286 D CB 1.187 41.958 40.800 -0.048 0.000 1.398 286 D HN 0.474 nan 8.370 nan 0.000 0.513 287 D N 0.223 120.588 120.400 -0.059 0.000 2.751 287 D HA -0.178 4.462 4.640 -0.000 0.000 0.233 287 D C -0.666 175.595 176.300 -0.066 0.000 1.149 287 D CA 0.458 54.424 54.000 -0.056 0.000 0.682 287 D CB -1.037 39.734 40.800 -0.048 0.000 1.068 287 D HN 0.322 nan 8.370 nan 0.000 0.429 288 L N 0.125 121.300 121.223 -0.080 0.000 2.485 288 L HA 0.184 4.523 4.340 -0.000 0.000 0.275 288 L C 1.500 178.321 176.870 -0.082 0.000 1.207 288 L CA 0.889 55.680 54.840 -0.082 0.000 0.855 288 L CB 0.505 42.505 42.059 -0.099 0.000 1.114 288 L HN 0.259 nan 8.230 nan 0.000 0.485 289 T N -0.617 113.901 114.554 -0.060 0.000 2.942 289 T HA 0.308 4.658 4.350 -0.000 0.000 0.289 289 T C 0.623 175.298 174.700 -0.041 0.000 1.044 289 T CA -0.932 61.132 62.100 -0.061 0.000 1.023 289 T CB 1.702 70.539 68.868 -0.052 0.000 1.123 289 T HN 0.415 nan 8.240 nan 0.000 0.512 290 L N 0.683 121.874 121.223 -0.054 0.000 2.083 290 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 290 L C 2.292 179.160 176.870 -0.003 0.000 1.083 290 L CA 1.955 56.784 54.840 -0.017 0.000 0.752 290 L CB -1.115 40.921 42.059 -0.038 0.000 0.899 290 L HN 0.793 nan 8.230 nan 0.000 0.433 291 E N -0.559 119.603 120.200 -0.064 0.000 2.077 291 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 291 E C 2.306 178.864 176.600 -0.071 0.000 0.989 291 E CA 1.243 57.579 56.400 -0.107 0.000 0.800 291 E CB -0.288 29.349 29.700 -0.105 0.000 0.746 291 E HN 0.296 nan 8.360 nan 0.000 0.452 292 R N -0.017 120.461 120.500 -0.035 0.000 2.092 292 R HA -0.008 4.331 4.340 -0.000 0.000 0.231 292 R C 0.636 176.940 176.300 0.007 0.000 1.119 292 R CA 0.446 56.526 56.100 -0.033 0.000 0.970 292 R CB -0.729 29.547 30.300 -0.040 0.000 0.864 292 R HN 0.130 nan 8.270 nan 0.000 0.440 296 L N 0.667 121.835 121.223 -0.092 0.000 2.131 296 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 296 L C 2.639 179.521 176.870 0.020 0.000 1.092 296 L CA 1.665 56.461 54.840 -0.073 0.000 0.759 296 L CB -0.211 41.754 42.059 -0.156 0.000 0.903 296 L HN 0.570 nan 8.230 nan 0.000 0.435 297 Q N 0.838 120.643 119.800 0.009 0.000 2.226 297 Q HA -0.160 4.179 4.340 -0.000 0.000 0.204 297 Q C 2.036 178.111 176.000 0.124 0.000 0.975 297 Q CA 1.341 57.150 55.803 0.009 0.000 0.866 297 Q CB -0.042 28.588 28.738 -0.180 0.000 0.915 297 Q HN 0.561 nan 8.270 nan 0.000 0.440 298 L N 0.873 122.120 121.223 0.040 0.000 2.610 298 L HA 0.044 4.383 4.340 -0.000 0.000 0.232 298 L C 0.850 177.703 176.870 -0.029 0.000 1.149 298 L CA -0.286 54.586 54.840 0.053 0.000 0.872 298 L CB -0.153 41.920 42.059 0.024 0.000 0.992 298 L HN -0.106 nan 8.230 nan 0.000 0.447 299 S N 0.745 116.448 115.700 0.006 0.000 2.593 299 S HA -0.089 4.381 4.470 -0.000 0.000 0.300 299 S C 0.628 175.305 174.600 0.129 0.000 1.267 299 S CA 0.205 58.389 58.200 -0.026 0.000 1.065 299 S CB -0.262 62.959 63.200 0.035 0.000 0.807 299 S HN 0.526 nan 8.310 nan 0.000 0.499 300 H N 0.558 119.738 119.070 0.183 0.000 2.901 300 H HA 0.435 4.990 4.556 -0.000 0.000 0.227 300 H C -0.228 175.223 175.328 0.206 0.000 1.390 300 H CA -0.932 55.277 56.048 0.267 0.000 1.120 300 H CB 0.150 30.089 29.762 0.295 0.000 2.131 300 H HN 0.309 nan 8.280 nan 0.000 0.549 301 R N 1.771 122.440 120.500 0.282 0.000 2.389 301 R HA 0.381 4.721 4.340 -0.000 0.000 0.295 301 R C -0.026 176.259 176.300 -0.025 0.000 1.075 301 R CA 0.074 56.196 56.100 0.038 0.000 1.005 301 R CB 0.641 30.942 30.300 0.001 0.000 0.987 301 R HN 0.549 nan 8.270 nan 0.000 0.452 302 A N 5.656 128.208 122.820 -0.446 0.000 3.037 302 A HA 0.249 4.569 4.320 -0.000 0.000 0.272 302 A C 0.125 177.583 177.584 -0.211 0.000 1.723 302 A CA -0.622 51.154 52.037 -0.435 0.000 1.413 302 A CB -0.604 17.762 19.000 -1.057 0.000 1.112 302 A HN 0.582 nan 8.150 nan 0.000 0.606 306 D N 0.653 120.996 120.400 -0.095 0.000 2.219 306 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 306 D C 1.634 178.015 176.300 0.135 0.000 0.970 306 D CA 0.910 54.900 54.000 -0.016 0.000 0.851 306 D CB -0.037 40.753 40.800 -0.017 0.000 0.943 306 D HN 0.399 nan 8.370 nan 0.000 0.488 307 R N 0.086 120.704 120.500 0.196 0.000 2.246 307 R HA 0.051 4.391 4.340 -0.000 0.000 0.199 307 R C 1.897 178.211 176.300 0.023 0.000 0.984 307 R CA 0.777 57.025 56.100 0.247 0.000 1.015 307 R CB -0.257 30.271 30.300 0.379 0.000 0.930 307 R HN 0.309 nan 8.270 nan 0.000 0.475 308 T N -2.913 111.686 114.554 0.075 0.000 3.028 308 T HA 0.216 4.566 4.350 -0.000 0.000 0.250 308 T C 2.017 176.634 174.700 -0.139 0.000 0.979 308 T CA -0.325 61.745 62.100 -0.051 0.000 1.004 308 T CB -0.214 68.653 68.868 -0.002 0.000 1.120 308 T HN -0.054 nan 8.240 nan 0.000 0.482 309 L N 1.366 122.531 121.223 -0.096 0.000 2.079 309 L HA 0.020 4.359 4.340 -0.000 0.000 0.210 309 L C -0.606 176.205 176.870 -0.100 0.000 1.081 309 L CA 1.520 56.279 54.840 -0.135 0.000 0.752 309 L CB -1.560 40.431 42.059 -0.114 0.000 0.896 309 L HN 0.258 nan 8.230 nan 0.000 0.433 310 P HA -0.136 nan 4.420 nan 0.000 0.218 310 P C 0.786 178.077 177.300 -0.015 0.000 1.148 310 P CA 1.320 64.418 63.100 -0.003 0.000 0.822 310 P CB 0.081 31.830 31.700 0.081 0.000 0.784 311 D N -1.792 118.580 120.400 -0.048 0.000 2.262 311 D HA -0.021 4.619 4.640 -0.000 0.000 0.212 311 D C 1.743 177.998 176.300 -0.076 0.000 0.964 311 D CA 0.445 54.420 54.000 -0.041 0.000 0.875 311 D CB -0.787 39.986 40.800 -0.044 0.000 0.996 311 D HN -0.007 nan 8.370 nan 0.000 0.497 312 L N 0.905 122.033 121.223 -0.157 0.000 2.005 312 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 312 L C 2.055 178.820 176.870 -0.175 0.000 1.072 312 L CA 1.362 56.065 54.840 -0.228 0.000 0.744 312 L CB -0.494 41.257 42.059 -0.512 0.000 0.895 312 L HN -0.028 nan 8.230 nan 0.000 0.433 313 I N -0.147 120.330 120.570 -0.154 0.000 2.151 313 I HA -0.267 3.902 4.170 -0.000 0.000 0.243 313 I C -0.296 175.782 176.117 -0.065 0.000 1.080 313 I CA 1.607 62.844 61.300 -0.105 0.000 1.339 313 I CB -1.603 36.348 38.000 -0.081 0.000 1.039 313 I HN 0.283 nan 8.210 nan 0.000 0.409 314 P HA -0.147 nan 4.420 nan 0.000 0.216 314 P C 1.484 178.771 177.300 -0.022 0.000 1.153 314 P CA 1.769 64.853 63.100 -0.026 0.000 0.848 314 P CB -0.024 31.668 31.700 -0.013 0.000 0.787 315 A N -0.034 122.770 122.820 -0.026 0.000 1.933 315 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 315 A C 2.296 179.869 177.584 -0.018 0.000 1.175 315 A CA 2.059 54.087 52.037 -0.014 0.000 0.628 315 A CB -1.577 17.419 19.000 -0.006 0.000 0.814 315 A HN 0.195 nan 8.150 nan 0.000 0.444 316 A N -0.859 121.937 122.820 -0.041 0.000 1.929 316 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 316 A C 1.890 179.459 177.584 -0.025 0.000 1.176 316 A CA 1.423 53.437 52.037 -0.038 0.000 0.628 316 A CB -0.458 18.499 19.000 -0.072 0.000 0.816 316 A HN 0.377 nan 8.150 nan 0.000 0.444 317 L N 0.282 121.489 121.223 -0.026 0.000 2.261 317 L HA -0.143 4.197 4.340 -0.000 0.000 0.216 317 L C 2.282 179.146 176.870 -0.009 0.000 1.114 317 L CA 1.595 56.424 54.840 -0.017 0.000 0.777 317 L CB -0.721 41.328 42.059 -0.018 0.000 0.910 317 L HN 0.701 nan 8.230 nan 0.000 0.440 318 I N -4.256 116.311 120.570 -0.006 0.000 3.059 318 I HA 0.029 4.198 4.170 -0.000 0.000 0.270 318 I C 0.896 177.015 176.117 0.003 0.000 1.238 318 I CA 0.032 61.332 61.300 0.000 0.000 1.478 318 I CB -0.322 37.681 38.000 0.004 0.000 1.097 318 I HN 0.040 nan 8.210 nan 0.000 0.455 319 D N 3.687 124.089 120.400 0.002 0.000 2.455 319 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 319 D C -1.313 174.990 176.300 0.005 0.000 1.138 319 D CA -1.170 52.834 54.000 0.006 0.000 0.877 319 D CB 1.510 42.315 40.800 0.008 0.000 1.187 319 D HN 0.131 nan 8.370 nan 0.000 0.451 320 P HA -0.080 nan 4.420 nan 0.000 0.225 320 P C 0.300 177.603 177.300 0.005 0.000 1.156 320 P CA 0.253 63.356 63.100 0.005 0.000 0.787 320 P CB 0.237 31.940 31.700 0.006 0.000 0.802 321 D N 2.091 122.495 120.400 0.006 0.000 2.389 321 D HA -0.001 4.639 4.640 -0.000 0.000 0.263 321 D C -1.069 175.233 176.300 0.004 0.000 1.255 321 D CA -1.997 52.007 54.000 0.006 0.000 0.914 321 D CB 0.762 41.568 40.800 0.009 0.000 1.116 321 D HN 0.113 nan 8.370 nan 0.000 0.502 322 P HA -0.141 nan 4.420 nan 0.000 0.223 322 P C 0.836 178.136 177.300 0.000 0.000 1.144 322 P CA 0.739 63.840 63.100 0.000 0.000 0.783 322 P CB 0.599 32.300 31.700 0.000 0.000 0.771 323 E N -0.186 120.016 120.200 0.003 0.000 2.112 323 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 323 E C 2.186 178.787 176.600 0.003 0.000 0.979 323 E CA 0.646 57.048 56.400 0.004 0.000 0.814 323 E CB -0.658 29.047 29.700 0.008 0.000 0.762 323 E HN 0.115 nan 8.360 nan 0.000 0.460 324 V N 1.697 121.614 119.914 0.004 0.000 2.343 324 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 324 V C 2.369 178.457 176.094 -0.010 0.000 1.051 324 V CA 1.727 64.027 62.300 0.000 0.000 1.036 324 V CB -0.466 31.360 31.823 0.005 0.000 0.654 324 V HN 0.254 nan 8.190 nan 0.000 0.451 325 Q N -0.174 119.621 119.800 -0.008 0.000 2.124 325 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 325 Q C 2.385 178.378 176.000 -0.013 0.000 0.977 325 Q CA 1.696 57.492 55.803 -0.012 0.000 0.850 325 Q CB -0.393 28.340 28.738 -0.008 0.000 0.901 325 Q HN 0.677 nan 8.270 nan 0.000 0.429 326 A N 0.953 123.767 122.820 -0.010 0.000 1.930 326 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 326 A C 2.253 179.828 177.584 -0.014 0.000 1.175 326 A CA 1.403 53.434 52.037 -0.010 0.000 0.627 326 A CB -0.584 18.412 19.000 -0.007 0.000 0.815 326 A HN 0.378 nan 8.150 nan 0.000 0.443 327 A N -0.213 122.598 122.820 -0.014 0.000 1.929 327 A HA 0.269 4.589 4.320 -0.000 0.000 0.216 327 A C 2.444 180.010 177.584 -0.030 0.000 1.176 327 A CA 1.704 53.729 52.037 -0.019 0.000 0.628 327 A CB -0.828 18.166 19.000 -0.010 0.000 0.816 327 A HN 0.928 nan 8.150 nan 0.000 0.444 328 A N 0.078 122.876 122.820 -0.036 0.000 1.898 328 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 328 A C 2.240 179.806 177.584 -0.030 0.000 1.181 328 A CA 1.401 53.409 52.037 -0.048 0.000 0.620 328 A CB -0.439 18.531 19.000 -0.049 0.000 0.819 328 A HN 0.527 nan 8.150 nan 0.000 0.442 329 R N -1.159 119.329 120.500 -0.021 0.000 2.115 329 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 329 R C 2.082 178.379 176.300 -0.005 0.000 1.111 329 R CA 1.258 57.350 56.100 -0.013 0.000 0.976 329 R CB -0.519 29.774 30.300 -0.011 0.000 0.870 329 R HN 0.499 nan 8.270 nan 0.000 0.445 330 L N 1.112 122.328 121.223 -0.011 0.000 2.027 330 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 330 L C 1.971 178.846 176.870 0.008 0.000 1.074 330 L CA 1.613 56.444 54.840 -0.015 0.000 0.745 330 L CB -0.310 41.727 42.059 -0.037 0.000 0.898 330 L HN 0.091 nan 8.230 nan 0.000 0.433 331 L N -0.603 120.627 121.223 0.012 0.000 2.093 331 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 331 L C 2.639 179.575 176.870 0.109 0.000 1.085 331 L CA 1.084 55.971 54.840 0.080 0.000 0.755 331 L CB -0.852 41.235 42.059 0.047 0.000 0.904 331 L HN 0.382 nan 8.230 nan 0.000 0.435 332 A N -0.151 122.691 122.820 0.036 0.000 1.969 332 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 332 A C 2.446 180.044 177.584 0.024 0.000 1.169 332 A CA 1.528 53.572 52.037 0.012 0.000 0.635 332 A CB -0.507 18.486 19.000 -0.011 0.000 0.810 332 A HN 0.389 nan 8.150 nan 0.000 0.445 333 A N -1.683 121.165 122.820 0.046 0.000 2.067 333 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 333 A C 0.853 178.494 177.584 0.096 0.000 1.156 333 A CA 0.178 52.242 52.037 0.045 0.000 0.683 333 A CB -0.501 18.519 19.000 0.033 0.000 0.808 333 A HN 0.679 nan 8.150 nan 0.000 0.455 334 W N 2.990 124.227 121.300 -0.105 0.000 2.257 334 W HA 0.168 4.828 4.660 -0.000 0.000 0.337 334 W C 0.292 176.717 176.519 -0.156 0.000 1.321 334 W CA -0.029 57.234 57.345 -0.136 0.000 1.267 334 W CB 0.509 29.868 29.460 -0.168 0.000 1.187 334 W HN 0.437 nan 8.180 nan 0.000 0.565 335 D N 3.916 124.176 120.400 -0.233 0.000 2.363 335 D HA -0.111 4.529 4.640 -0.000 0.000 0.226 335 D C 0.595 176.375 176.300 -0.866 0.000 1.020 335 D CA 0.237 53.989 54.000 -0.413 0.000 0.892 335 D CB -0.262 40.410 40.800 -0.213 0.000 0.900 335 D HN 0.638 nan 8.370 nan 0.000 0.531 336 R N -0.659 118.669 120.500 -1.954 0.000 3.656 336 R HA -0.117 4.223 4.340 -0.000 0.000 0.297 336 R C -0.797 174.601 176.300 -1.502 0.000 1.166 336 R CA 0.722 55.376 56.100 -2.411 0.000 0.799 336 R CB -1.931 27.588 30.300 -1.302 0.000 1.285 336 R HN 0.311 nan 8.270 nan 0.000 0.477 337 E N 0.140 119.722 120.200 -1.030 0.000 2.238 337 E HA 0.252 4.602 4.350 -0.000 0.000 0.267 337 E C -0.398 175.968 176.600 -0.389 0.000 0.887 337 E CA -0.853 55.249 56.400 -0.497 0.000 0.769 337 E CB 0.682 30.263 29.700 -0.198 0.000 1.187 337 E HN -0.019 nan 8.360 nan 0.000 0.416 338 F N 1.693 121.406 119.950 -0.396 0.000 2.626 338 F HA 0.094 4.621 4.527 -0.000 0.000 0.353 338 F C 1.066 176.358 175.800 -0.845 0.000 1.230 338 F CA -0.367 57.240 58.000 -0.656 0.000 1.298 338 F CB -0.276 38.428 39.000 -0.493 0.000 1.670 338 F HN 0.081 nan 8.300 nan 0.000 0.633 339 T N -3.375 110.926 114.554 -0.421 0.000 2.934 339 T HA 0.249 4.599 4.350 -0.000 0.000 0.283 339 T C 1.396 176.080 174.700 -0.027 0.000 1.005 339 T CA -0.685 61.288 62.100 -0.210 0.000 1.041 339 T CB 1.657 70.483 68.868 -0.071 0.000 1.042 339 T HN 0.200 nan 8.240 nan 0.000 0.505 340 S N 1.260 117.008 115.700 0.081 0.000 2.383 340 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 340 S C 1.588 176.241 174.600 0.088 0.000 1.030 340 S CA 1.615 59.895 58.200 0.132 0.000 1.002 340 S CB -0.522 62.723 63.200 0.075 0.000 0.829 340 S HN 0.990 nan 8.310 nan 0.000 0.467 341 D N 0.856 121.284 120.400 0.047 0.000 2.340 341 D HA 0.102 4.742 4.640 -0.000 0.000 0.220 341 D C 0.497 176.805 176.300 0.013 0.000 1.039 341 D CA 0.010 54.026 54.000 0.025 0.000 0.866 341 D CB -0.436 40.376 40.800 0.019 0.000 0.913 341 D HN 0.150 nan 8.370 nan 0.000 0.523 342 S N 0.189 115.895 115.700 0.011 0.000 2.525 342 S HA 0.080 4.550 4.470 -0.000 0.000 0.285 342 S C 0.978 175.509 174.600 -0.115 0.000 1.283 342 S CA -0.409 57.759 58.200 -0.054 0.000 1.072 342 S CB 0.431 63.569 63.200 -0.103 0.000 0.867 342 S HN 0.202 nan 8.310 nan 0.000 0.492 343 R N 3.327 123.730 120.500 -0.161 0.000 2.312 343 R HA 0.204 4.544 4.340 -0.000 0.000 0.205 343 R C 1.695 177.842 176.300 -0.254 0.000 0.904 343 R CA 0.704 56.710 56.100 -0.156 0.000 1.052 343 R CB 0.091 30.333 30.300 -0.096 0.000 1.014 343 R HN 0.668 nan 8.270 nan 0.000 0.503 344 A N 0.374 122.895 122.820 -0.499 0.000 2.140 344 A HA 0.293 4.612 4.320 -0.000 0.000 0.209 344 A C 2.091 179.160 177.584 -0.858 0.000 1.181 344 A CA 0.593 52.239 52.037 -0.652 0.000 0.824 344 A CB 0.071 18.624 19.000 -0.746 0.000 0.879 344 A HN 0.237 nan 8.150 nan 0.000 0.480 345 A N 0.801 123.021 122.820 -0.999 0.000 1.884 345 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 345 A C 2.085 179.680 177.584 0.019 0.000 1.197 345 A CA 1.782 53.477 52.037 -0.570 0.000 0.637 345 A CB -0.832 18.040 19.000 -0.213 0.000 0.827 345 A HN 0.476 nan 8.150 nan 0.000 0.450 346 L N -1.230 120.009 121.223 0.027 0.000 2.042 346 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 346 L C 2.618 179.530 176.870 0.070 0.000 1.076 346 L CA 1.443 56.266 54.840 -0.028 0.000 0.749 346 L CB -0.661 41.151 42.059 -0.411 0.000 0.893 346 L HN 0.518 nan 8.230 nan 0.000 0.432 347 L N -0.497 120.740 121.223 0.023 0.000 2.046 347 L HA -0.241 4.098 4.340 -0.000 0.000 0.208 347 L C 2.373 179.346 176.870 0.171 0.000 1.077 347 L CA 1.702 56.595 54.840 0.087 0.000 0.747 347 L CB -0.741 41.332 42.059 0.024 0.000 0.896 347 L HN 0.097 nan 8.230 nan 0.000 0.432 348 F N 0.779 120.748 119.950 0.031 0.000 2.126 348 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 348 F C 2.296 178.319 175.800 0.372 0.000 1.096 348 F CA 2.037 60.154 58.000 0.195 0.000 1.255 348 F CB -0.268 38.812 39.000 0.134 0.000 0.997 348 F HN 0.277 nan 8.300 nan 0.000 0.479 349 E N -0.266 120.114 120.200 0.301 0.000 2.077 349 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 349 E C 2.055 178.818 176.600 0.273 0.000 0.989 349 E CA 1.301 57.876 56.400 0.292 0.000 0.800 349 E CB -0.270 29.676 29.700 0.411 0.000 0.746 349 E HN 0.399 nan 8.360 nan 0.000 0.452 350 E N 0.176 120.515 120.200 0.232 0.000 2.110 350 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 350 E C 1.602 178.275 176.600 0.121 0.000 0.988 350 E CA 0.781 57.287 56.400 0.176 0.000 0.804 350 E CB -0.324 29.487 29.700 0.185 0.000 0.745 350 E HN 0.433 nan 8.360 nan 0.000 0.458 351 W N 1.521 122.791 121.300 -0.051 0.000 2.409 351 W HA -0.039 4.620 4.660 -0.000 0.000 0.299 351 W C 2.343 178.816 176.519 -0.076 0.000 1.203 351 W CA 2.058 59.349 57.345 -0.089 0.000 1.298 351 W CB -0.402 28.961 29.460 -0.162 0.000 1.127 351 W HN 0.026 nan 8.180 nan 0.000 0.528 352 A N 0.961 123.658 122.820 -0.205 0.000 1.933 352 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 352 A C 2.021 179.589 177.584 -0.028 0.000 1.175 352 A CA 1.739 53.666 52.037 -0.184 0.000 0.628 352 A CB -0.779 18.235 19.000 0.023 0.000 0.814 352 A HN 0.402 nan 8.150 nan 0.000 0.444 353 R N -0.690 119.811 120.500 0.002 0.000 2.127 353 R HA -0.094 4.245 4.340 -0.000 0.000 0.238 353 R C 1.840 177.966 176.300 -0.289 0.000 1.134 353 R CA 1.507 57.431 56.100 -0.293 0.000 0.975 353 R CB -0.421 29.744 30.300 -0.226 0.000 0.865 353 R HN 0.547 nan 8.270 nan 0.000 0.447 354 L N -1.421 119.636 121.223 -0.277 0.000 2.168 354 L HA -0.020 4.320 4.340 -0.000 0.000 0.203 354 L C 2.178 178.840 176.870 -0.347 0.000 1.078 354 L CA 0.422 55.096 54.840 -0.277 0.000 0.780 354 L CB -0.399 41.524 42.059 -0.227 0.000 0.939 354 L HN 0.052 nan 8.230 nan 0.000 0.451 355 F N 1.379 120.885 119.950 -0.741 0.000 2.134 355 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 355 F C 1.945 177.450 175.800 -0.493 0.000 1.097 355 F CA 1.447 58.965 58.000 -0.804 0.000 1.264 355 F CB 0.039 38.087 39.000 -1.586 0.000 1.001 355 F HN -0.032 nan 8.300 nan 0.000 0.479 356 A N -0.292 122.309 122.820 -0.365 0.000 2.538 356 A HA 0.598 4.918 4.320 -0.000 0.000 0.269 356 A C 0.783 178.247 177.584 -0.200 0.000 1.231 356 A CA 0.369 52.247 52.037 -0.265 0.000 0.948 356 A CB -0.875 18.158 19.000 0.054 0.000 1.110 356 A HN 0.940 nan 8.150 nan 0.000 0.529 357 G N -0.886 107.753 108.800 -0.268 0.000 2.746 357 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.685 357 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.685 357 G C 0.239 174.881 174.900 -0.429 0.000 1.350 357 G CA -0.102 44.833 45.100 -0.275 0.000 0.837 357 G HN 0.067 nan 8.290 nan 0.000 0.564 358 Q N 0.306 119.869 119.800 -0.395 0.000 2.226 358 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 358 Q C 2.191 177.759 176.000 -0.720 0.000 0.975 358 Q CA 2.037 57.532 55.803 -0.514 0.000 0.866 358 Q CB -0.205 28.351 28.738 -0.304 0.000 0.915 358 Q HN 0.836 nan 8.270 nan 0.000 0.440 359 N N -1.166 117.243 118.700 -0.486 0.000 2.235 359 N HA -0.048 4.692 4.740 -0.000 0.000 0.209 359 N C -0.268 175.156 175.510 -0.142 0.000 1.122 359 N CA -0.194 52.663 53.050 -0.323 0.000 0.845 359 N CB -0.351 38.066 38.487 -0.118 0.000 1.004 359 N HN 0.021 nan 8.380 nan 0.000 0.499 360 F N -1.297 118.609 119.950 -0.073 0.000 3.048 360 F HA -0.301 4.226 4.527 -0.000 0.000 0.287 360 F C 1.349 177.184 175.800 0.058 0.000 0.796 360 F CA 0.522 58.517 58.000 -0.008 0.000 1.111 360 F CB -1.925 37.094 39.000 0.032 0.000 1.320 360 F HN 0.349 nan 8.300 nan 0.000 0.430 361 A N -0.002 122.897 122.820 0.133 0.000 2.267 361 A HA 0.533 4.853 4.320 -0.000 0.000 0.213 361 A C 1.716 179.359 177.584 0.099 0.000 1.192 361 A CA 0.468 52.580 52.037 0.125 0.000 0.851 361 A CB -0.502 18.541 19.000 0.073 0.000 0.881 361 A HN 0.556 nan 8.150 nan 0.000 0.494 362 G N -0.732 108.092 108.800 0.041 0.000 2.432 362 G HA2 0.340 4.300 3.960 -0.000 0.000 0.239 362 G HA3 0.340 4.300 3.960 -0.000 0.000 0.239 362 G C 0.408 175.355 174.900 0.078 0.000 1.291 362 G CA -0.169 44.924 45.100 -0.011 0.000 0.863 362 G HN 0.259 nan 8.290 nan 0.000 0.560 363 Q N 1.500 121.356 119.800 0.092 0.000 2.316 363 Q HA 0.117 4.456 4.340 -0.000 0.000 0.235 363 Q C 2.555 178.650 176.000 0.159 0.000 0.863 363 Q CA 0.574 56.532 55.803 0.258 0.000 0.939 363 Q CB 0.438 29.299 28.738 0.205 0.000 1.108 363 Q HN 0.672 nan 8.270 nan 0.000 0.522 364 A N 0.974 123.782 122.820 -0.020 0.000 2.076 364 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 364 A C 2.066 179.559 177.584 -0.151 0.000 1.160 364 A CA 1.747 53.748 52.037 -0.059 0.000 0.653 364 A CB -0.710 18.240 19.000 -0.083 0.000 0.801 364 A HN 0.383 nan 8.150 nan 0.000 0.455 365 G N -1.711 106.817 108.800 -0.453 0.000 2.712 365 G HA2 0.257 4.217 3.960 -0.000 0.000 0.212 365 G HA3 0.257 4.217 3.960 -0.000 0.000 0.212 365 G C 0.328 175.074 174.900 -0.256 0.000 1.142 365 G CA -0.279 44.435 45.100 -0.644 0.000 0.789 365 G HN 0.321 nan 8.290 nan 0.000 0.535 366 F N 0.080 120.049 119.950 0.031 0.000 2.459 366 F HA 0.477 5.003 4.527 -0.000 0.000 0.346 366 F C 1.505 177.402 175.800 0.162 0.000 1.128 366 F CA -0.112 58.019 58.000 0.219 0.000 1.268 366 F CB 1.506 40.630 39.000 0.206 0.000 1.161 366 F HN 0.038 nan 8.300 nan 0.000 0.583 367 A N 1.160 124.201 122.820 0.368 0.000 1.903 367 A HA 0.065 4.385 4.320 -0.000 0.000 0.213 367 A C 0.858 178.592 177.584 0.250 0.000 1.185 367 A CA 0.878 53.066 52.037 0.252 0.000 0.628 367 A CB -0.462 18.664 19.000 0.210 0.000 0.830 367 A HN 0.622 nan 8.150 nan 0.000 0.446 368 T N 2.764 117.498 114.554 0.299 0.000 2.772 368 T HA 0.476 4.826 4.350 -0.000 0.000 0.288 368 T C -2.745 172.081 174.700 0.210 0.000 0.994 368 T CA -1.233 61.009 62.100 0.237 0.000 0.951 368 T CB 1.844 70.868 68.868 0.261 0.000 0.933 368 T HN 0.220 nan 8.240 nan 0.000 0.447 369 P HA 0.076 nan 4.420 nan 0.000 0.272 369 P C -0.338 177.046 177.300 0.139 0.000 1.240 369 P CA -0.670 62.531 63.100 0.168 0.000 0.791 369 P CB 0.927 32.719 31.700 0.155 0.000 0.978 370 W N 1.557 122.855 121.300 -0.004 0.000 2.158 370 W HA 0.311 4.971 4.660 -0.000 0.000 0.339 370 W C -0.089 176.429 176.519 -0.002 0.000 1.294 370 W CA 1.087 58.418 57.345 -0.023 0.000 1.231 370 W CB 0.476 29.922 29.460 -0.023 0.000 1.143 370 W HN 0.321 nan 8.180 nan 0.000 0.571 371 S N 5.399 120.469 115.700 -1.049 0.000 2.572 371 S HA 0.189 4.659 4.470 -0.000 0.000 0.274 371 S C -0.076 173.642 174.600 -1.470 0.000 1.150 371 S CA -0.831 56.805 58.200 -0.939 0.000 0.944 371 S CB 1.067 64.007 63.200 -0.432 0.000 1.071 371 S HN 0.621 nan 8.310 nan 0.000 0.479 372 L N 3.522 124.045 121.223 -1.167 0.000 2.353 372 L HA 0.104 4.443 4.340 -0.000 0.000 0.220 372 L C 1.442 178.109 176.870 -0.338 0.000 1.133 372 L CA 1.957 56.362 54.840 -0.726 0.000 0.798 372 L CB -0.451 41.478 42.059 -0.216 0.000 0.922 372 L HN 0.745 nan 8.230 nan 0.000 0.445 373 D N -0.094 120.123 120.400 -0.304 0.000 2.312 373 D HA -0.067 4.573 4.640 -0.000 0.000 0.211 373 D C 0.646 176.886 176.300 -0.100 0.000 0.964 373 D CA 0.895 54.816 54.000 -0.133 0.000 0.877 373 D CB 0.170 40.901 40.800 -0.116 0.000 0.924 373 D HN 0.376 nan 8.370 nan 0.000 0.515 374 K N 0.642 120.899 120.400 -0.239 0.000 3.146 374 K HA 0.142 4.461 4.320 -0.000 0.000 0.168 374 K C -2.065 174.360 176.600 -0.293 0.000 1.075 374 K CA -0.951 55.224 56.287 -0.186 0.000 0.843 374 K CB 2.295 34.695 32.500 -0.168 0.000 1.002 374 K HN -0.101 nan 8.250 nan 0.000 0.597 375 P HA -0.140 nan 4.420 nan 0.000 0.223 375 P C 0.870 178.213 177.300 0.072 0.000 1.144 375 P CA 1.174 64.211 63.100 -0.105 0.000 0.783 375 P CB 0.138 31.833 31.700 -0.009 0.000 0.771 376 V N -3.719 116.146 119.914 -0.083 0.000 3.159 376 V HA 0.360 4.480 4.120 -0.000 0.000 0.333 376 V C 1.078 177.165 176.094 -0.011 0.000 1.424 376 V CA 0.565 62.843 62.300 -0.036 0.000 1.125 376 V CB -0.474 31.243 31.823 -0.176 0.000 1.075 376 V HN 0.179 nan 8.190 nan 0.000 0.482 377 S N -0.729 114.965 115.700 -0.010 0.000 2.893 377 S HA 0.334 4.804 4.470 -0.000 0.000 0.258 377 S C 0.531 175.155 174.600 0.039 0.000 1.034 377 S CA 0.427 58.628 58.200 0.003 0.000 1.167 377 S CB 0.292 63.463 63.200 -0.048 0.000 1.137 377 S HN 0.906 nan 8.310 nan 0.000 0.650 378 T N 0.068 114.657 114.554 0.058 0.000 2.896 378 T HA 0.705 5.055 4.350 -0.000 0.000 0.297 378 T C -3.420 171.419 174.700 0.233 0.000 1.108 378 T CA -2.088 60.059 62.100 0.079 0.000 1.004 378 T CB 2.052 70.882 68.868 -0.064 0.000 1.159 378 T HN -0.051 nan 8.240 nan 0.000 0.499 379 P HA 0.291 nan 4.420 nan 0.000 0.274 379 P C -1.410 175.844 177.300 -0.078 0.000 1.260 379 P CA -0.183 62.806 63.100 -0.185 0.000 0.793 379 P CB 0.426 31.676 31.700 -0.749 0.000 1.048 380 Y N -1.508 118.815 120.300 0.039 0.000 2.592 380 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 380 Y C -0.219 175.934 175.900 0.422 0.000 1.136 380 Y CA 0.662 58.913 58.100 0.251 0.000 1.042 380 Y CB 1.335 39.875 38.460 0.134 0.000 1.325 380 Y HN 0.993 nan 8.280 nan 0.000 0.457 381 G N 1.209 109.416 108.800 -0.988 0.000 2.814 381 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.677 381 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.677 381 G C -2.049 172.868 174.900 0.029 0.000 1.429 381 G CA -0.548 44.225 45.100 -0.545 0.000 0.868 381 G HN 1.145 nan 8.290 nan 0.000 0.553 382 V N 2.346 122.279 119.914 0.030 0.000 2.347 382 V HA 0.410 4.529 4.120 -0.000 0.000 0.280 382 V C 1.726 177.923 176.094 0.172 0.000 1.021 382 V CA 0.166 62.562 62.300 0.160 0.000 0.847 382 V CB 1.303 33.173 31.823 0.080 0.000 0.990 382 V HN 0.926 nan 8.190 nan 0.000 0.444 383 R N 2.424 123.050 120.500 0.210 0.000 2.073 383 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 383 R C 0.496 176.871 176.300 0.125 0.000 1.134 383 R CA 1.485 57.677 56.100 0.153 0.000 0.952 383 R CB 0.285 30.663 30.300 0.129 0.000 0.850 383 R HN 0.743 nan 8.270 nan 0.000 0.433 384 D N -0.927 119.557 120.400 0.140 0.000 2.441 384 D HA 0.187 4.827 4.640 -0.000 0.000 0.287 384 D C -2.088 174.289 176.300 0.129 0.000 1.198 384 D CA -2.220 51.848 54.000 0.114 0.000 0.894 384 D CB 1.442 42.299 40.800 0.094 0.000 1.070 384 D HN -0.057 nan 8.370 nan 0.000 0.499 385 P HA -0.189 nan 4.420 nan 0.000 0.217 385 P C 1.366 178.719 177.300 0.087 0.000 1.151 385 P CA 1.205 64.359 63.100 0.089 0.000 0.849 385 P CB 0.480 32.212 31.700 0.053 0.000 0.787 386 K N -0.522 119.923 120.400 0.075 0.000 2.026 386 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 386 K C 2.040 178.691 176.600 0.084 0.000 1.048 386 K CA 1.529 57.856 56.287 0.066 0.000 0.929 386 K CB -0.617 31.914 32.500 0.052 0.000 0.713 386 K HN -0.025 nan 8.250 nan 0.000 0.439 387 A N 0.872 123.748 122.820 0.093 0.000 1.933 387 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 387 A C 2.261 179.938 177.584 0.154 0.000 1.175 387 A CA 1.748 53.844 52.037 0.098 0.000 0.628 387 A CB -0.682 18.365 19.000 0.079 0.000 0.814 387 A HN 0.470 nan 8.150 nan 0.000 0.444 388 A N -0.602 122.348 122.820 0.218 0.000 1.972 388 A HA 0.026 4.345 4.320 -0.000 0.000 0.219 388 A C 2.153 179.954 177.584 0.360 0.000 1.169 388 A CA 1.689 53.955 52.037 0.383 0.000 0.635 388 A CB -0.721 18.531 19.000 0.420 0.000 0.810 388 A HN 0.371 nan 8.150 nan 0.000 0.446 389 V N 0.344 120.367 119.914 0.182 0.000 2.548 389 V HA -0.183 3.936 4.120 -0.000 0.000 0.249 389 V C 2.028 178.198 176.094 0.127 0.000 1.055 389 V CA 2.056 64.424 62.300 0.114 0.000 1.065 389 V CB -0.640 31.216 31.823 0.055 0.000 0.681 389 V HN 0.479 nan 8.190 nan 0.000 0.462 390 D N -0.240 120.233 120.400 0.121 0.000 2.144 390 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 390 D C 2.329 178.700 176.300 0.119 0.000 0.978 390 D CA 1.104 55.161 54.000 0.095 0.000 0.833 390 D CB -0.115 40.726 40.800 0.069 0.000 0.961 390 D HN 0.508 nan 8.370 nan 0.000 0.470 391 Q N -0.088 119.813 119.800 0.167 0.000 2.124 391 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 391 Q C 2.176 178.340 176.000 0.275 0.000 0.977 391 Q CA 0.605 56.502 55.803 0.158 0.000 0.850 391 Q CB -0.056 28.741 28.738 0.099 0.000 0.901 391 Q HN 0.177 nan 8.270 nan 0.000 0.429 392 L N 0.790 122.252 121.223 0.399 0.000 2.093 392 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 392 L C 2.304 179.274 176.870 0.166 0.000 1.085 392 L CA 1.659 56.702 54.840 0.339 0.000 0.755 392 L CB -0.370 41.755 42.059 0.110 0.000 0.904 392 L HN 0.036 nan 8.230 nan 0.000 0.435 393 R N -1.136 119.435 120.500 0.118 0.000 2.083 393 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 393 R C 2.003 178.345 176.300 0.070 0.000 1.137 393 R CA 2.204 58.349 56.100 0.074 0.000 0.951 393 R CB -0.463 29.871 30.300 0.058 0.000 0.851 393 R HN 0.423 nan 8.270 nan 0.000 0.434 394 T N 0.438 115.036 114.554 0.074 0.000 2.821 394 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 394 T C 1.768 176.506 174.700 0.062 0.000 1.046 394 T CA 1.186 63.318 62.100 0.052 0.000 1.139 394 T CB -0.209 68.680 68.868 0.036 0.000 0.871 394 T HN 0.437 nan 8.240 nan 0.000 0.454 395 A N 1.194 124.076 122.820 0.103 0.000 1.933 395 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 395 A C 2.261 179.908 177.584 0.105 0.000 1.175 395 A CA 1.066 53.176 52.037 0.120 0.000 0.628 395 A CB -0.761 18.367 19.000 0.214 0.000 0.814 395 A HN 0.517 nan 8.150 nan 0.000 0.444 396 I N -0.233 120.393 120.570 0.093 0.000 2.208 396 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 396 I C 2.979 179.129 176.117 0.055 0.000 1.097 396 I CA 1.112 62.454 61.300 0.069 0.000 1.363 396 I CB -0.335 37.696 38.000 0.051 0.000 1.051 396 I HN 0.372 nan 8.210 nan 0.000 0.413 397 A N 1.056 123.902 122.820 0.044 0.000 1.877 397 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 397 A C 2.046 179.643 177.584 0.022 0.000 1.186 397 A CA 1.989 54.042 52.037 0.027 0.000 0.620 397 A CB -0.686 18.325 19.000 0.019 0.000 0.822 397 A HN 0.415 nan 8.150 nan 0.000 0.443 398 N N -0.152 118.565 118.700 0.028 0.000 2.166 398 N HA -0.096 4.643 4.740 -0.000 0.000 0.186 398 N C 1.668 177.196 175.510 0.030 0.000 1.019 398 N CA 1.855 54.914 53.050 0.015 0.000 0.856 398 N CB -0.877 37.622 38.487 0.021 0.000 0.993 398 N HN 0.508 nan 8.380 nan 0.000 0.426 399 T N 1.295 115.903 114.554 0.090 0.000 2.777 399 T HA -0.031 4.318 4.350 -0.000 0.000 0.266 399 T C 1.840 176.617 174.700 0.129 0.000 1.040 399 T CA 1.033 63.239 62.100 0.177 0.000 1.141 399 T CB 0.036 69.010 68.868 0.176 0.000 0.868 399 T HN 0.299 nan 8.240 nan 0.000 0.444 400 K N 0.695 121.133 120.400 0.064 0.000 2.057 400 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 400 K C 2.580 179.174 176.600 -0.010 0.000 1.050 400 K CA 0.750 57.059 56.287 0.036 0.000 0.935 400 K CB -0.106 32.408 32.500 0.023 0.000 0.715 400 K HN 0.130 nan 8.250 nan 0.000 0.439 401 R N 1.708 122.187 120.500 -0.034 0.000 2.073 401 R HA -0.144 4.195 4.340 -0.000 0.000 0.234 401 R C 1.890 178.106 176.300 -0.141 0.000 1.134 401 R CA 1.704 57.763 56.100 -0.068 0.000 0.952 401 R CB 0.075 30.338 30.300 -0.061 0.000 0.850 401 R HN 0.091 nan 8.270 nan 0.000 0.433 402 K N -1.043 119.213 120.400 -0.240 0.000 2.031 402 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 402 K C 1.593 177.794 176.600 -0.666 0.000 1.049 402 K CA 1.459 57.428 56.287 -0.530 0.000 0.939 402 K CB 0.030 32.026 32.500 -0.840 0.000 0.717 402 K HN 0.266 nan 8.250 nan 0.000 0.438 403 Y N -1.326 118.956 120.300 -0.029 0.000 2.444 403 Y HA 0.245 4.795 4.550 -0.000 0.000 0.249 403 Y C 1.443 177.320 175.900 -0.038 0.000 1.134 403 Y CA 0.175 58.248 58.100 -0.044 0.000 1.261 403 Y CB 1.119 39.546 38.460 -0.055 0.000 1.143 403 Y HN 0.270 nan 8.280 nan 0.000 0.523 404 G N -0.001 108.835 108.800 0.059 0.000 2.234 404 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.235 404 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.235 404 G C 0.226 175.150 174.900 0.040 0.000 0.997 404 G CA -0.038 45.083 45.100 0.035 0.000 0.623 404 G HN 0.815 nan 8.290 nan 0.000 0.514 405 A N -0.964 121.894 122.820 0.065 0.000 2.601 405 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 405 A C 0.722 178.337 177.584 0.052 0.000 1.075 405 A CA -0.004 52.057 52.037 0.041 0.000 0.671 405 A CB 0.032 19.045 19.000 0.021 0.000 1.277 405 A HN 1.405 nan 8.150 nan 0.000 0.417 406 I N -2.095 118.492 120.570 0.028 0.000 3.428 406 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 406 I C 0.338 176.447 176.117 -0.014 0.000 1.287 406 I CA 1.054 62.368 61.300 0.023 0.000 1.396 406 I CB -0.057 37.953 38.000 0.015 0.000 1.062 406 I HN 0.432 nan 8.210 nan 0.000 0.471 407 D N 1.252 121.638 120.400 -0.023 0.000 2.895 407 D HA 0.123 4.763 4.640 -0.000 0.000 0.350 407 D C 0.203 176.469 176.300 -0.056 0.000 1.389 407 D CA -0.397 53.571 54.000 -0.053 0.000 0.812 407 D CB -0.136 40.636 40.800 -0.046 0.000 1.164 407 D HN 0.299 nan 8.370 nan 0.000 0.455 408 R N 1.094 121.557 120.500 -0.060 0.000 2.438 408 R HA 0.353 4.693 4.340 -0.000 0.000 0.287 408 R C -2.387 173.852 176.300 -0.102 0.000 1.077 408 R CA -1.303 54.755 56.100 -0.069 0.000 1.034 408 R CB 0.460 30.726 30.300 -0.056 0.000 0.993 408 R HN -0.115 nan 8.270 nan 0.000 0.459 409 P HA -0.072 nan 4.420 nan 0.000 0.263 409 P C -0.147 177.101 177.300 -0.086 0.000 1.195 409 P CA 0.194 63.258 63.100 -0.059 0.000 0.762 409 P CB 0.210 31.885 31.700 -0.043 0.000 0.799 410 F N 4.378 124.194 119.950 -0.224 0.000 2.085 410 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 410 F C 2.110 177.715 175.800 -0.325 0.000 1.096 410 F CA 2.628 60.454 58.000 -0.290 0.000 1.227 410 F CB -0.748 38.136 39.000 -0.194 0.000 0.983 410 F HN 0.394 nan 8.300 nan 0.000 0.482 411 G N -1.148 107.620 108.800 -0.053 0.000 2.776 411 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.209 411 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.209 411 G C 1.346 176.131 174.900 -0.191 0.000 1.145 411 G CA 0.706 45.718 45.100 -0.146 0.000 0.791 411 G HN 0.505 nan 8.290 nan 0.000 0.530 412 D N 0.230 120.518 120.400 -0.187 0.000 2.301 412 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 412 D C 2.385 178.573 176.300 -0.188 0.000 0.979 412 D CA 0.752 54.664 54.000 -0.146 0.000 0.874 412 D CB 0.328 41.070 40.800 -0.097 0.000 0.968 412 D HN 0.243 nan 8.370 nan 0.000 0.510 413 A N 0.190 122.829 122.820 -0.302 0.000 1.924 413 A HA 0.152 4.472 4.320 -0.000 0.000 0.211 413 A C 1.244 178.550 177.584 -0.463 0.000 1.198 413 A CA 0.149 52.008 52.037 -0.297 0.000 0.657 413 A CB 0.101 18.887 19.000 -0.357 0.000 0.852 413 A HN 0.109 nan 8.150 nan 0.000 0.454 414 S N 1.801 117.000 115.700 -0.834 0.000 2.405 414 S HA 0.502 4.971 4.470 -0.000 0.000 0.291 414 S C 0.104 174.276 174.600 -0.713 0.000 1.137 414 S CA -0.403 57.011 58.200 -1.309 0.000 1.061 414 S CB 0.275 62.035 63.200 -2.401 0.000 1.001 414 S HN 0.401 nan 8.310 nan 0.000 0.507 418 L N 6.816 128.094 121.223 0.092 0.000 2.441 418 L HA 0.627 4.967 4.340 -0.000 0.000 0.270 418 L C 0.424 177.360 176.870 0.110 0.000 0.973 418 L CA 0.013 54.895 54.840 0.070 0.000 0.842 418 L CB 1.128 43.090 42.059 -0.163 0.000 1.239 418 L HN 0.716 nan 8.230 nan 0.000 0.406 419 N N 1.707 120.525 118.700 0.197 0.000 1.241 419 N HA -0.288 4.452 4.740 -0.000 0.000 0.135 419 N C 0.325 175.890 175.510 0.093 0.000 0.723 419 N CA 1.885 55.026 53.050 0.153 0.000 0.950 419 N CB -0.399 38.186 38.487 0.163 0.000 1.215 419 N HN 0.672 nan 8.380 nan 0.000 0.520 420 D N 0.993 121.434 120.400 0.069 0.000 2.339 420 D HA 0.167 4.807 4.640 -0.000 0.000 0.217 420 D C -0.151 176.172 176.300 0.039 0.000 1.050 420 D CA 0.234 54.263 54.000 0.048 0.000 0.856 420 D CB 0.301 41.123 40.800 0.036 0.000 0.922 420 D HN 0.093 nan 8.370 nan 0.000 0.518 421 V N 2.034 121.972 119.914 0.040 0.000 2.432 421 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 421 V C 0.332 176.447 176.094 0.035 0.000 1.043 421 V CA -0.560 61.757 62.300 0.028 0.000 0.925 421 V CB 1.449 33.280 31.823 0.014 0.000 0.985 421 V HN 0.028 nan 8.190 nan 0.000 0.466 422 N N 4.304 123.021 118.700 0.029 0.000 2.519 422 N HA 0.536 5.276 4.740 -0.000 0.000 0.286 422 N C -1.122 174.399 175.510 0.019 0.000 1.079 422 N CA -0.215 52.853 53.050 0.031 0.000 0.878 422 N CB 2.090 40.592 38.487 0.025 0.000 1.375 422 N HN 0.540 nan 8.380 nan 0.000 0.514 423 V N 1.447 121.375 119.914 0.023 0.000 3.040 423 V HA 0.792 4.912 4.120 -0.000 0.000 0.312 423 V C -2.499 173.596 176.094 0.002 0.000 1.115 423 V CA -2.088 60.218 62.300 0.011 0.000 0.998 423 V CB 1.866 33.695 31.823 0.010 0.000 1.042 423 V HN 0.438 nan 8.190 nan 0.000 0.433 424 P HA 0.282 nan 4.420 nan 0.000 0.268 424 P C 0.127 177.417 177.300 -0.016 0.000 1.205 424 P CA 0.623 63.706 63.100 -0.029 0.000 0.771 424 P CB 1.074 32.765 31.700 -0.015 0.000 0.858 425 G N 1.096 109.865 108.800 -0.052 0.000 2.488 425 G HA2 0.658 4.618 3.960 -0.000 0.000 0.318 425 G HA3 0.658 4.618 3.960 -0.000 0.000 0.318 425 G C -1.196 173.784 174.900 0.133 0.000 1.188 425 G CA -0.498 44.624 45.100 0.037 0.000 0.944 425 G HN 0.739 nan 8.290 nan 0.000 0.495 426 A N -1.090 121.874 122.820 0.239 0.000 2.612 426 A HA 1.013 5.333 4.320 -0.000 0.000 0.293 426 A C 0.151 178.002 177.584 0.445 0.000 1.075 426 A CA 0.441 52.683 52.037 0.341 0.000 0.680 426 A CB 0.880 20.015 19.000 0.224 0.000 1.279 426 A HN 2.835 nan 8.150 nan 0.000 0.411 427 A N -1.233 121.843 122.820 0.427 0.000 6.325 427 A HA 0.473 4.793 4.320 -0.000 0.000 0.352 427 A C 1.092 178.982 177.584 0.510 0.000 1.933 427 A CA 1.206 53.549 52.037 0.511 0.000 0.613 427 A CB -1.881 17.510 19.000 0.651 0.000 1.856 427 A HN 3.164 nan 8.150 nan 0.000 0.410 428 G N -2.197 106.730 108.800 0.212 0.000 2.704 428 G HA2 0.606 4.566 3.960 -0.000 0.000 0.118 428 G HA3 0.606 4.566 3.960 -0.000 0.000 0.118 428 G C -0.771 173.980 174.900 -0.249 0.000 1.197 428 G CA 0.085 45.168 45.100 -0.028 0.000 1.152 428 G HN 1.543 nan 8.290 nan 0.000 0.571 429 Y N 2.113 122.331 120.300 -0.137 0.000 2.544 429 Y HA 0.338 4.888 4.550 -0.000 0.000 0.330 429 Y C 1.826 177.709 175.900 -0.028 0.000 1.136 429 Y CA 0.880 58.932 58.100 -0.079 0.000 1.417 429 Y CB 1.161 39.547 38.460 -0.124 0.000 1.229 429 Y HN 0.550 nan 8.280 nan 0.000 0.532 430 G N 2.540 111.432 108.800 0.153 0.000 2.422 430 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 430 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 430 G C 1.415 176.433 174.900 0.195 0.000 1.146 430 G CA 0.646 45.831 45.100 0.140 0.000 0.769 430 G HN 0.560 nan 8.290 nan 0.000 0.547 431 N N 0.178 119.013 118.700 0.225 0.000 2.573 431 N HA 0.047 4.787 4.740 -0.000 0.000 0.187 431 N C 1.813 177.466 175.510 0.239 0.000 1.107 431 N CA 0.320 53.515 53.050 0.241 0.000 0.918 431 N CB 0.002 38.675 38.487 0.310 0.000 0.966 431 N HN 0.316 nan 8.380 nan 0.000 0.448 432 L N -1.546 119.792 121.223 0.193 0.000 2.585 432 L HA 0.234 4.574 4.340 -0.000 0.000 0.226 432 L C 1.316 178.415 176.870 0.380 0.000 1.113 432 L CA 0.327 55.335 54.840 0.280 0.000 0.876 432 L CB 0.172 42.392 42.059 0.270 0.000 1.072 432 L HN 0.224 nan 8.230 nan 0.000 0.468 433 G N -0.856 108.135 108.800 0.318 0.000 2.284 433 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.201 433 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.201 433 G C 0.428 175.518 174.900 0.316 0.000 0.998 433 G CA 0.103 45.379 45.100 0.292 0.000 0.651 433 G HN 0.184 nan 8.290 nan 0.000 0.489 434 S N 0.295 116.218 115.700 0.372 0.000 2.515 434 S HA 0.420 4.890 4.470 -0.000 0.000 0.285 434 S C 1.130 175.886 174.600 0.260 0.000 1.265 434 S CA 0.298 58.716 58.200 0.362 0.000 1.079 434 S CB 0.162 63.552 63.200 0.317 0.000 0.877 434 S HN 0.616 nan 8.310 nan 0.000 0.493 435 F N 5.497 125.524 119.950 0.129 0.000 2.118 435 F HA 0.213 4.739 4.527 -0.000 0.000 0.293 435 F C 1.469 177.273 175.800 0.008 0.000 1.102 435 F CA 0.915 58.947 58.000 0.054 0.000 1.247 435 F CB -0.047 38.968 39.000 0.024 0.000 1.017 435 F HN 0.526 nan 8.300 nan 0.000 0.475 436 R N 1.428 121.969 120.500 0.068 0.000 2.347 436 R HA 0.353 4.692 4.340 -0.000 0.000 0.304 436 R C -1.412 174.772 176.300 -0.192 0.000 1.072 436 R CA -0.146 55.906 56.100 -0.080 0.000 0.980 436 R CB 0.546 30.922 30.300 0.127 0.000 0.986 436 R HN 0.034 nan 8.270 nan 0.000 0.448 437 V N 6.040 125.616 119.914 -0.563 0.000 2.547 437 V HA 0.473 4.593 4.120 -0.000 0.000 0.299 437 V C -0.808 174.619 176.094 -1.112 0.000 1.040 437 V CA -0.475 61.393 62.300 -0.719 0.000 0.913 437 V CB 1.559 32.822 31.823 -0.933 0.000 0.992 437 V HN 0.629 nan 8.190 nan 0.000 0.449 438 F N 1.216 120.806 119.950 -0.600 0.000 3.034 438 F HA 0.283 4.810 4.527 -0.000 0.000 0.371 438 F C 0.516 175.601 175.800 -1.192 0.000 1.233 438 F CA -0.461 56.950 58.000 -0.980 0.000 1.134 438 F CB 1.700 39.955 39.000 -1.242 0.000 1.495 438 F HN 0.331 nan 8.300 nan 0.000 0.563 439 T N 2.209 116.358 114.554 -0.676 0.000 3.182 439 T HA 0.024 4.373 4.350 -0.000 0.000 0.274 439 T C -0.078 174.332 174.700 -0.482 0.000 0.997 439 T CA -0.210 61.609 62.100 -0.469 0.000 1.082 439 T CB -0.538 68.299 68.868 -0.051 0.000 1.005 439 T HN 0.300 nan 8.240 nan 0.000 0.688 440 W N 2.943 123.964 121.300 -0.466 0.000 2.193 440 W HA 0.250 4.910 4.660 -0.000 0.000 0.338 440 W C 1.305 177.833 176.519 0.015 0.000 1.310 440 W CA -0.766 56.442 57.345 -0.228 0.000 1.243 440 W CB 0.260 29.562 29.460 -0.263 0.000 1.165 440 W HN 0.539 nan 8.180 nan 0.000 0.566 441 S N 1.490 117.337 115.700 0.244 0.000 2.661 441 S HA 0.210 4.679 4.470 -0.000 0.000 0.265 441 S C -0.034 174.683 174.600 0.194 0.000 1.225 441 S CA -1.010 57.294 58.200 0.174 0.000 0.986 441 S CB 0.750 64.013 63.200 0.104 0.000 1.008 441 S HN 0.424 nan 8.310 nan 0.000 0.565 442 D N 2.710 123.183 120.400 0.122 0.000 2.399 442 D HA 0.308 4.947 4.640 -0.000 0.000 0.241 442 D C -1.900 174.431 176.300 0.051 0.000 1.133 442 D CA -0.764 53.283 54.000 0.079 0.000 0.890 442 D CB 0.464 41.280 40.800 0.026 0.000 1.201 442 D HN 0.449 nan 8.370 nan 0.000 0.432 443 P HA 0.044 nan 4.420 nan 0.000 0.274 443 P C -0.357 176.916 177.300 -0.045 0.000 1.237 443 P CA -0.409 62.673 63.100 -0.029 0.000 0.793 443 P CB 0.884 32.486 31.700 -0.163 0.000 0.977 444 D N 0.339 120.724 120.400 -0.025 0.000 2.469 444 D HA 0.021 4.661 4.640 -0.000 0.000 0.278 444 D C 1.052 177.325 176.300 -0.044 0.000 1.231 444 D CA -0.157 53.829 54.000 -0.023 0.000 1.075 444 D CB -0.234 40.564 40.800 -0.004 0.000 1.121 444 D HN 0.221 nan 8.370 nan 0.000 0.571 445 E N -0.864 119.317 120.200 -0.033 0.000 2.401 445 E HA -0.085 4.264 4.350 -0.000 0.000 0.199 445 E C 0.397 176.974 176.600 -0.038 0.000 1.023 445 E CA 0.586 56.963 56.400 -0.038 0.000 0.859 445 E CB -0.264 29.421 29.700 -0.025 0.000 0.780 445 E HN 0.399 nan 8.360 nan 0.000 0.523 446 N N -0.467 118.216 118.700 -0.029 0.000 2.204 446 N HA 0.087 4.827 4.740 -0.000 0.000 0.219 446 N C 0.780 176.283 175.510 -0.011 0.000 1.151 446 N CA 0.622 53.660 53.050 -0.019 0.000 0.867 446 N CB 1.476 39.958 38.487 -0.010 0.000 1.043 446 N HN 0.178 nan 8.380 nan 0.000 0.516 447 G N 0.441 109.222 108.800 -0.033 0.000 2.143 447 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 447 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 447 G C -0.094 174.854 174.900 0.080 0.000 0.991 447 G CA 0.086 45.192 45.100 0.010 0.000 0.689 447 G HN 0.186 nan 8.290 nan 0.000 0.522 448 V N 2.555 122.479 119.914 0.017 0.000 2.383 448 V HA 0.654 4.774 4.120 -0.000 0.000 0.275 448 V C 0.823 176.925 176.094 0.013 0.000 1.036 448 V CA -0.215 62.083 62.300 -0.003 0.000 0.889 448 V CB 1.272 33.090 31.823 -0.008 0.000 0.985 448 V HN 0.660 nan 8.190 nan 0.000 0.459 449 R N 3.017 123.512 120.500 -0.008 0.000 2.854 449 R HA 0.871 5.211 4.340 -0.000 0.000 0.271 449 R C -0.678 175.701 176.300 0.133 0.000 0.996 449 R CA -0.463 55.675 56.100 0.062 0.000 0.961 449 R CB 2.297 32.643 30.300 0.076 0.000 1.182 449 R HN 0.665 nan 8.270 nan 0.000 0.479 450 T N -1.764 112.934 114.554 0.240 0.000 2.865 450 T HA 0.533 4.882 4.350 -0.000 0.000 0.294 450 T C -2.954 171.807 174.700 0.101 0.000 1.119 450 T CA -2.330 59.942 62.100 0.286 0.000 1.007 450 T CB 2.027 70.991 68.868 0.159 0.000 1.225 450 T HN 0.379 nan 8.240 nan 0.000 0.515 451 P HA 0.318 nan 4.420 nan 0.000 0.271 451 P C 0.416 177.276 177.300 -0.733 0.000 1.220 451 P CA -0.334 62.214 63.100 -0.921 0.000 0.768 451 P CB 0.916 31.553 31.700 -1.772 0.000 0.848 452 V N 2.293 121.915 119.914 -0.486 0.000 2.949 452 V HA 0.060 4.179 4.120 -0.000 0.000 0.245 452 V C 0.794 176.774 176.094 -0.190 0.000 1.086 452 V CA 1.308 63.482 62.300 -0.209 0.000 1.097 452 V CB -0.591 31.195 31.823 -0.061 0.000 0.762 452 V HN 0.698 nan 8.190 nan 0.000 0.470 453 H N -1.488 117.260 119.070 -0.537 0.000 3.003 453 H HA 0.576 5.132 4.556 -0.000 0.000 0.327 453 H C -0.310 174.721 175.328 -0.494 0.000 1.353 453 H CA 0.244 56.092 56.048 -0.334 0.000 1.142 453 H CB 1.601 31.299 29.762 -0.108 0.000 1.864 453 H HN 0.244 nan 8.280 nan 0.000 0.529 454 G N 1.613 109.906 108.800 -0.846 0.000 2.240 454 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.199 454 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.199 454 G C -1.215 173.410 174.900 -0.459 0.000 1.342 454 G CA -0.438 44.134 45.100 -0.880 0.000 1.145 454 G HN 0.571 nan 8.290 nan 0.000 0.477 455 E N 1.557 121.390 120.200 -0.612 0.000 2.558 455 E HA 0.302 4.652 4.350 -0.000 0.000 0.255 455 E C 1.095 177.638 176.600 -0.096 0.000 0.968 455 E CA 1.152 57.349 56.400 -0.338 0.000 0.939 455 E CB 1.091 30.460 29.700 -0.552 0.000 0.921 455 E HN 0.842 nan 8.360 nan 0.000 0.477 456 T N -0.490 113.953 114.554 -0.184 0.000 3.212 456 T HA 0.077 4.427 4.350 -0.000 0.000 0.157 456 T C 0.220 174.742 174.700 -0.297 0.000 0.908 456 T CA -0.656 61.230 62.100 -0.358 0.000 0.954 456 T CB 0.019 68.844 68.868 -0.072 0.000 1.709 456 T HN 0.589 nan 8.240 nan 0.000 0.335 457 W N 3.360 124.391 121.300 -0.449 0.000 2.335 457 W HA 0.597 5.257 4.660 -0.000 0.000 0.306 457 W C -1.904 174.413 176.519 -0.337 0.000 1.216 457 W CA -0.742 56.350 57.345 -0.420 0.000 1.237 457 W CB 0.978 30.073 29.460 -0.608 0.000 1.243 457 W HN 0.269 nan 8.180 nan 0.000 0.493 458 V N 6.713 126.117 119.914 -0.850 0.000 2.483 458 V HA 0.756 4.876 4.120 -0.000 0.000 0.297 458 V C 0.101 175.665 176.094 -0.883 0.000 1.027 458 V CA -0.601 61.295 62.300 -0.673 0.000 0.855 458 V CB 0.593 32.304 31.823 -0.187 0.000 0.995 458 V HN 0.700 nan 8.190 nan 0.000 0.424 462 E N 4.782 124.662 120.200 -0.533 0.000 2.133 462 E HA 0.467 4.817 4.350 -0.000 0.000 0.274 462 E C -1.060 175.255 176.600 -0.475 0.000 0.930 462 E CA -0.621 55.547 56.400 -0.386 0.000 0.770 462 E CB 0.830 30.401 29.700 -0.216 0.000 1.104 462 E HN 0.467 nan 8.360 nan 0.000 0.403 463 F N 3.552 123.422 119.950 -0.133 0.000 2.705 463 F HA 0.078 4.605 4.527 -0.000 0.000 0.355 463 F C 0.906 176.665 175.800 -0.067 0.000 1.172 463 F CA -0.241 57.703 58.000 -0.094 0.000 1.332 463 F CB -0.253 38.688 39.000 -0.098 0.000 1.621 463 F HN 0.243 nan 8.300 nan 0.000 0.605 464 S N -1.396 114.301 115.700 -0.005 0.000 2.646 464 S HA 0.543 5.013 4.470 -0.000 0.000 0.273 464 S C 0.185 174.798 174.600 0.022 0.000 1.168 464 S CA -0.747 57.455 58.200 0.004 0.000 1.013 464 S CB 1.068 64.249 63.200 -0.032 0.000 1.098 464 S HN 0.145 nan 8.310 nan 0.000 0.544 465 T N 2.747 117.311 114.554 0.016 0.000 2.892 465 T HA 0.520 4.870 4.350 -0.000 0.000 0.311 465 T C -2.118 172.588 174.700 0.010 0.000 1.033 465 T CA -0.821 61.294 62.100 0.024 0.000 0.991 465 T CB 0.837 69.724 68.868 0.030 0.000 0.981 465 T HN 0.669 nan 8.240 nan 0.000 0.457 466 P HA 0.419 nan 4.420 nan 0.000 0.275 466 P C 0.135 177.425 177.300 -0.017 0.000 1.266 466 P CA -0.617 62.489 63.100 0.009 0.000 0.793 466 P CB 0.524 32.226 31.700 0.003 0.000 1.074 467 V N -1.560 118.340 119.914 -0.022 0.000 3.051 467 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 467 V C 0.335 176.337 176.094 -0.155 0.000 1.083 467 V CA -0.497 61.737 62.300 -0.111 0.000 1.104 467 V CB 0.145 31.878 31.823 -0.148 0.000 1.027 467 V HN 0.698 nan 8.190 nan 0.000 0.483 468 R N 2.022 122.384 120.500 -0.230 0.000 2.513 468 R HA 0.762 5.102 4.340 -0.000 0.000 0.301 468 R C -0.817 175.287 176.300 -0.326 0.000 0.968 468 R CA 0.025 55.989 56.100 -0.228 0.000 0.872 468 R CB 1.684 31.918 30.300 -0.111 0.000 1.177 468 R HN 1.262 nan 8.270 nan 0.000 0.444 469 A N 3.584 126.146 122.820 -0.429 0.000 2.539 469 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 469 A C -1.970 175.287 177.584 -0.544 0.000 1.073 469 A CA -0.543 51.223 52.037 -0.450 0.000 0.700 469 A CB 1.254 19.887 19.000 -0.612 0.000 1.296 469 A HN 0.654 nan 8.150 nan 0.000 0.405 470 Y N -0.339 119.839 120.300 -0.203 0.000 2.512 470 Y HA 0.719 5.269 4.550 -0.000 0.000 0.348 470 Y C 0.707 176.547 175.900 -0.101 0.000 0.990 470 Y CA 0.119 58.157 58.100 -0.104 0.000 1.033 470 Y CB 2.932 41.321 38.460 -0.118 0.000 1.259 470 Y HN 1.159 nan 8.280 nan 0.000 0.461 471 G N 1.228 110.141 108.800 0.188 0.000 2.600 471 G HA2 0.715 4.674 3.960 -0.000 0.000 0.293 471 G HA3 0.715 4.674 3.960 -0.000 0.000 0.293 471 G C -2.487 172.460 174.900 0.079 0.000 1.408 471 G CA -0.611 44.494 45.100 0.009 0.000 0.782 471 G HN 0.411 nan 8.290 nan 0.000 0.482 475 Y N 2.686 122.658 120.300 -0.546 0.000 2.801 475 Y HA 0.651 5.200 4.550 -0.000 0.000 0.340 475 Y C 0.916 176.671 175.900 -0.242 0.000 1.088 475 Y CA -0.932 56.864 58.100 -0.506 0.000 1.444 475 Y CB -0.934 37.253 38.460 -0.455 0.000 1.251 475 Y HN 0.501 nan 8.280 nan 0.000 0.522 476 G N 1.573 110.374 108.800 0.001 0.000 2.804 476 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.230 476 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.230 476 G C 0.080 175.131 174.900 0.252 0.000 1.386 476 G CA 0.194 45.372 45.100 0.130 0.000 0.875 476 G HN 0.508 nan 8.290 nan 0.000 0.557 477 N N -0.541 118.302 118.700 0.239 0.000 2.230 477 N HA 0.397 5.137 4.740 -0.000 0.000 0.202 477 N C 0.150 175.877 175.510 0.361 0.000 1.119 477 N CA 1.093 54.302 53.050 0.265 0.000 0.851 477 N CB 0.421 38.965 38.487 0.094 0.000 0.990 477 N HN 0.816 nan 8.380 nan 0.000 0.497 478 S N -0.920 114.971 115.700 0.318 0.000 2.541 478 S HA 0.479 4.949 4.470 -0.000 0.000 0.271 478 S C -0.305 174.409 174.600 0.189 0.000 1.133 478 S CA -0.664 57.674 58.200 0.230 0.000 0.876 478 S CB 1.323 64.663 63.200 0.233 0.000 1.105 478 S HN 0.213 nan 8.310 nan 0.000 0.470 479 R N 1.342 121.864 120.500 0.037 0.000 2.566 479 R HA 0.247 4.587 4.340 -0.000 0.000 0.388 479 R C -0.322 175.887 176.300 -0.153 0.000 0.989 479 R CA -0.273 55.759 56.100 -0.113 0.000 1.164 479 R CB 0.284 30.498 30.300 -0.144 0.000 1.459 479 R HN 0.576 nan 8.270 nan 0.000 0.553 480 Q N 1.413 121.166 119.800 -0.079 0.000 2.392 480 Q HA 0.154 4.493 4.340 -0.000 0.000 0.262 480 Q C -2.302 173.646 176.000 -0.087 0.000 1.003 480 Q CA -1.655 54.102 55.803 -0.077 0.000 0.888 480 Q CB 0.617 29.330 28.738 -0.042 0.000 1.260 480 Q HN 0.054 nan 8.270 nan 0.000 0.435 481 P HA -0.034 nan 4.420 nan 0.000 0.262 481 P C 0.503 177.771 177.300 -0.053 0.000 1.182 481 P CA 1.100 64.153 63.100 -0.079 0.000 0.761 481 P CB 0.293 31.956 31.700 -0.063 0.000 0.795 482 G N 1.594 110.364 108.800 -0.050 0.000 2.189 482 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 482 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 482 G C 0.603 175.488 174.900 -0.024 0.000 0.975 482 G CA 0.447 45.529 45.100 -0.029 0.000 0.644 482 G HN 0.766 nan 8.290 nan 0.000 0.537 483 T N 0.382 114.924 114.554 -0.020 0.000 2.900 483 T HA 0.429 4.778 4.350 -0.000 0.000 0.307 483 T C 1.983 176.657 174.700 -0.042 0.000 1.065 483 T CA 1.426 63.519 62.100 -0.012 0.000 1.105 483 T CB 0.571 69.466 68.868 0.045 0.000 0.979 483 T HN 0.853 nan 8.240 nan 0.000 0.544 484 T N 0.599 115.038 114.554 -0.192 0.000 3.086 484 T HA 0.133 4.483 4.350 -0.000 0.000 0.250 484 T C 0.692 175.182 174.700 -0.350 0.000 1.074 484 T CA 0.151 62.084 62.100 -0.278 0.000 0.988 484 T CB -0.121 68.519 68.868 -0.379 0.000 0.988 484 T HN 0.706 nan 8.240 nan 0.000 0.530 485 H N -0.005 119.134 119.070 0.116 0.000 2.490 485 H HA 0.324 4.880 4.556 -0.000 0.000 0.285 485 H C -0.009 175.433 175.328 0.191 0.000 1.127 485 H CA -0.697 55.427 56.048 0.126 0.000 0.993 485 H CB 0.066 29.896 29.762 0.114 0.000 1.653 485 H HN 0.412 nan 8.280 nan 0.000 0.557 486 Y N 1.543 121.904 120.300 0.101 0.000 2.472 486 Y HA 0.016 4.566 4.550 -0.000 0.000 0.288 486 Y C 1.979 177.925 175.900 0.078 0.000 1.154 486 Y CA 1.017 59.172 58.100 0.091 0.000 1.238 486 Y CB 0.378 38.869 38.460 0.052 0.000 1.287 486 Y HN 0.106 nan 8.280 nan 0.000 0.524 487 S N -0.256 115.422 115.700 -0.037 0.000 2.572 487 S HA 0.065 4.535 4.470 -0.000 0.000 0.228 487 S C 0.535 175.108 174.600 -0.045 0.000 0.963 487 S CA 0.143 58.264 58.200 -0.132 0.000 0.939 487 S CB -0.484 62.698 63.200 -0.030 0.000 0.804 487 S HN 0.580 nan 8.310 nan 0.000 0.480 488 D N 0.864 121.269 120.400 0.008 0.000 2.319 488 D HA 0.046 4.686 4.640 -0.000 0.000 0.230 488 D C 1.078 177.386 176.300 0.014 0.000 1.094 488 D CA 0.092 54.112 54.000 0.033 0.000 0.856 488 D CB -0.087 40.771 40.800 0.096 0.000 0.915 488 D HN 0.539 nan 8.370 nan 0.000 0.517 489 Q N -0.871 118.908 119.800 -0.034 0.000 2.210 489 Q HA 0.190 4.530 4.340 -0.000 0.000 0.252 489 Q C 1.464 177.405 176.000 -0.098 0.000 0.811 489 Q CA -0.334 55.432 55.803 -0.060 0.000 0.953 489 Q CB 0.534 29.231 28.738 -0.069 0.000 1.136 489 Q HN 0.074 nan 8.270 nan 0.000 0.491 490 I N 2.104 122.611 120.570 -0.105 0.000 2.361 490 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 490 I C 2.274 178.361 176.117 -0.049 0.000 1.133 490 I CA 1.528 62.776 61.300 -0.087 0.000 1.413 490 I CB 0.017 37.972 38.000 -0.074 0.000 1.073 490 I HN 0.176 nan 8.210 nan 0.000 0.424 491 E N 0.659 120.836 120.200 -0.039 0.000 2.077 491 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 491 E C 2.314 178.890 176.600 -0.041 0.000 0.989 491 E CA 1.052 57.437 56.400 -0.025 0.000 0.800 491 E CB -0.094 29.598 29.700 -0.013 0.000 0.746 491 E HN 0.459 nan 8.360 nan 0.000 0.452 492 R N 0.143 120.605 120.500 -0.062 0.000 2.092 492 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 492 R C 2.511 178.722 176.300 -0.148 0.000 1.119 492 R CA 1.086 57.130 56.100 -0.093 0.000 0.970 492 R CB -0.448 29.787 30.300 -0.109 0.000 0.864 492 R HN 0.115 nan 8.270 nan 0.000 0.440 493 V N 1.383 121.204 119.914 -0.155 0.000 2.332 493 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 493 V C 2.467 178.521 176.094 -0.067 0.000 1.055 493 V CA 2.212 64.419 62.300 -0.155 0.000 1.038 493 V CB -0.677 31.102 31.823 -0.073 0.000 0.651 493 V HN 0.465 nan 8.190 nan 0.000 0.450 494 S N 0.134 115.810 115.700 -0.040 0.000 2.469 494 S HA -0.152 4.317 4.470 -0.000 0.000 0.238 494 S C 1.766 176.368 174.600 0.003 0.000 0.998 494 S CA 1.182 59.373 58.200 -0.016 0.000 0.957 494 S CB -0.332 62.862 63.200 -0.009 0.000 0.764 494 S HN 0.658 nan 8.310 nan 0.000 0.514 495 R N 0.266 120.758 120.500 -0.013 0.000 2.508 495 R HA 0.520 4.860 4.340 -0.000 0.000 0.300 495 R C 0.759 177.068 176.300 0.015 0.000 0.970 495 R CA 0.379 56.484 56.100 0.008 0.000 1.102 495 R CB 0.328 30.628 30.300 0.001 0.000 1.246 495 R HN 0.405 nan 8.270 nan 0.000 0.539 496 A N 2.059 124.870 122.820 -0.016 0.000 2.783 496 A HA -0.218 4.102 4.320 -0.000 0.000 0.292 496 A C -0.199 177.414 177.584 0.049 0.000 1.495 496 A CA 1.265 53.314 52.037 0.019 0.000 0.787 496 A CB -1.625 17.496 19.000 0.202 0.000 1.017 496 A HN 0.419 nan 8.150 nan 0.000 0.516 497 D N -0.159 120.185 120.400 -0.094 0.000 2.500 497 D HA 0.532 5.172 4.640 -0.000 0.000 0.219 497 D C -0.078 176.188 176.300 -0.057 0.000 1.137 497 D CA -0.334 53.665 54.000 -0.002 0.000 0.946 497 D CB -0.395 40.401 40.800 -0.007 0.000 1.022 497 D HN 0.227 nan 8.370 nan 0.000 0.518 498 F N 2.014 121.961 119.950 -0.007 0.000 2.459 498 F HA 0.311 4.837 4.527 -0.000 0.000 0.346 498 F C 1.571 177.448 175.800 0.128 0.000 1.128 498 F CA -0.261 57.759 58.000 0.034 0.000 1.268 498 F CB 0.651 39.662 39.000 0.018 0.000 1.161 498 F HN 0.047 nan 8.300 nan 0.000 0.583 499 R N 1.030 121.691 120.500 0.268 0.000 2.457 499 R HA 0.318 4.657 4.340 -0.000 0.000 0.284 499 R C -0.473 175.939 176.300 0.187 0.000 1.024 499 R CA -0.959 55.261 56.100 0.201 0.000 1.025 499 R CB 0.873 31.240 30.300 0.113 0.000 1.063 499 R HN 0.602 nan 8.270 nan 0.000 0.493 500 E N 2.801 123.021 120.200 0.033 0.000 2.316 500 E HA 0.076 4.426 4.350 -0.000 0.000 0.275 500 E C -0.670 175.794 176.600 -0.227 0.000 1.029 500 E CA -0.386 55.792 56.400 -0.368 0.000 0.871 500 E CB 0.672 30.151 29.700 -0.370 0.000 1.022 500 E HN 0.367 nan 8.360 nan 0.000 0.418 501 L N 5.138 126.181 121.223 -0.300 0.000 2.313 501 L HA 0.137 4.477 4.340 -0.000 0.000 0.282 501 L C -0.503 176.163 176.870 -0.341 0.000 1.092 501 L CA -0.756 53.920 54.840 -0.274 0.000 0.831 501 L CB 0.352 42.217 42.059 -0.322 0.000 1.159 501 L HN 0.396 nan 8.230 nan 0.000 0.442 502 L N 5.619 126.701 121.223 -0.235 0.000 2.261 502 L HA 0.183 4.522 4.340 -0.000 0.000 0.289 502 L C 0.560 177.319 176.870 -0.184 0.000 1.059 502 L CA 0.200 54.950 54.840 -0.150 0.000 0.816 502 L CB 0.926 42.973 42.059 -0.021 0.000 1.191 502 L HN 0.616 nan 8.230 nan 0.000 0.431 503 L N 2.483 123.588 121.223 -0.197 0.000 2.500 503 L HA 0.268 4.607 4.340 -0.000 0.000 0.219 503 L C 1.224 178.158 176.870 0.106 0.000 1.057 503 L CA 0.478 55.221 54.840 -0.161 0.000 0.854 503 L CB -0.091 41.861 42.059 -0.178 0.000 1.078 503 L HN 0.489 nan 8.230 nan 0.000 0.480 504 R N 0.055 120.583 120.500 0.046 0.000 2.438 504 R HA 0.102 4.442 4.340 -0.000 0.000 0.287 504 R C 1.129 177.475 176.300 0.077 0.000 1.077 504 R CA -0.494 55.644 56.100 0.064 0.000 1.034 504 R CB 0.710 31.026 30.300 0.026 0.000 0.993 504 R HN -0.012 nan 8.270 nan 0.000 0.459 505 R N 2.620 123.162 120.500 0.071 0.000 2.112 505 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 505 R C 1.878 178.202 176.300 0.041 0.000 1.137 505 R CA 2.250 58.382 56.100 0.054 0.000 0.944 505 R CB -0.277 30.042 30.300 0.032 0.000 0.857 505 R HN 0.767 nan 8.270 nan 0.000 0.435 506 E N 0.597 120.816 120.200 0.030 0.000 2.153 506 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 506 E C 1.750 178.365 176.600 0.025 0.000 0.988 506 E CA 1.250 57.664 56.400 0.023 0.000 0.811 506 E CB -0.442 29.268 29.700 0.017 0.000 0.746 506 E HN 0.503 nan 8.360 nan 0.000 0.466 507 Q N 0.681 120.496 119.800 0.025 0.000 2.046 507 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 507 Q C 2.586 178.607 176.000 0.035 0.000 0.975 507 Q CA 1.730 57.545 55.803 0.020 0.000 0.836 507 Q CB -0.076 28.664 28.738 0.002 0.000 0.896 507 Q HN 0.177 nan 8.270 nan 0.000 0.428 508 V N 1.719 121.667 119.914 0.057 0.000 2.295 508 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 508 V C 2.040 178.165 176.094 0.052 0.000 1.049 508 V CA 1.940 64.284 62.300 0.074 0.000 1.024 508 V CB -0.620 31.270 31.823 0.111 0.000 0.648 508 V HN 0.369 nan 8.190 nan 0.000 0.447 509 E N 0.598 120.823 120.200 0.041 0.000 2.118 509 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 509 E C 2.289 178.907 176.600 0.029 0.000 0.992 509 E CA 1.412 57.831 56.400 0.031 0.000 0.804 509 E CB -0.321 29.393 29.700 0.024 0.000 0.741 509 E HN 0.615 nan 8.360 nan 0.000 0.458 510 A N 1.192 124.029 122.820 0.028 0.000 2.015 510 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 510 A C 2.230 179.831 177.584 0.029 0.000 1.163 510 A CA 1.398 53.450 52.037 0.025 0.000 0.646 510 A CB -0.130 18.883 19.000 0.021 0.000 0.806 510 A HN 0.254 nan 8.150 nan 0.000 0.448 511 A N -0.612 122.229 122.820 0.033 0.000 2.220 511 A HA 0.448 4.767 4.320 -0.000 0.000 0.211 511 A C 0.816 178.423 177.584 0.039 0.000 1.176 511 A CA 0.149 52.208 52.037 0.037 0.000 0.834 511 A CB -0.426 18.598 19.000 0.040 0.000 0.868 511 A HN 0.329 nan 8.150 nan 0.000 0.488 512 V N 1.043 120.981 119.914 0.039 0.000 2.752 512 V HA -0.077 4.043 4.120 -0.000 0.000 0.306 512 V C 0.947 177.064 176.094 0.038 0.000 1.099 512 V CA 0.678 63.001 62.300 0.038 0.000 1.240 512 V CB 0.136 31.980 31.823 0.035 0.000 0.887 512 V HN 0.592 nan 8.190 nan 0.000 0.499 513 Q N 1.926 121.750 119.800 0.041 0.000 2.342 513 Q HA 0.302 4.642 4.340 -0.000 0.000 0.261 513 Q C 0.155 176.185 176.000 0.050 0.000 0.841 513 Q CA 0.360 56.191 55.803 0.047 0.000 0.969 513 Q CB 1.542 30.315 28.738 0.058 0.000 1.136 513 Q HN 0.899 nan 8.270 nan 0.000 0.528 514 E N 0.710 120.939 120.200 0.048 0.000 2.340 514 E HA 0.528 4.877 4.350 -0.000 0.000 0.273 514 E C -0.953 175.676 176.600 0.048 0.000 0.891 514 E CA -0.470 55.961 56.400 0.051 0.000 0.757 514 E CB 2.390 32.126 29.700 0.059 0.000 1.231 514 E HN -0.083 nan 8.360 nan 0.000 0.439 515 R N 0.685 121.214 120.500 0.049 0.000 2.534 515 R HA 0.479 4.819 4.340 -0.000 0.000 0.301 515 R C -0.995 175.344 176.300 0.065 0.000 0.961 515 R CA -0.597 55.534 56.100 0.052 0.000 0.871 515 R CB 2.111 32.435 30.300 0.039 0.000 1.170 515 R HN 0.292 nan 8.270 nan 0.000 0.446 516 T N 3.985 118.593 114.554 0.090 0.000 3.150 516 T HA 0.271 4.621 4.350 -0.000 0.000 0.383 516 T C -2.305 172.503 174.700 0.179 0.000 1.313 516 T CA -1.286 60.887 62.100 0.122 0.000 1.235 516 T CB 0.976 69.921 68.868 0.127 0.000 1.088 516 T HN 0.295 nan 8.240 nan 0.000 0.556 517 P HA 0.530 nan 4.420 nan 0.000 0.271 517 P C -0.798 176.600 177.300 0.162 0.000 1.218 517 P CA -0.486 62.649 63.100 0.059 0.000 0.780 517 P CB 0.365 32.071 31.700 0.011 0.000 0.901 518 F N -1.109 118.856 119.950 0.024 0.000 2.626 518 F HA 0.539 5.066 4.527 -0.000 0.000 0.311 518 F C -1.158 174.675 175.800 0.055 0.000 1.088 518 F CA -1.138 56.885 58.000 0.038 0.000 0.949 518 F CB 1.733 40.756 39.000 0.038 0.000 1.322 518 F HN 0.193 nan 8.300 nan 0.000 0.461 519 N N 1.859 120.736 118.700 0.295 0.000 2.442 519 N HA 0.356 5.096 4.740 -0.000 0.000 0.274 519 N C -1.958 173.762 175.510 0.351 0.000 1.002 519 N CA -0.615 52.551 53.050 0.193 0.000 0.910 519 N CB 1.032 39.575 38.487 0.094 0.000 1.244 519 N HN 0.663 nan 8.380 nan 0.000 0.492 520 F N 4.526 124.603 119.950 0.212 0.000 2.377 520 F HA 0.345 4.872 4.527 -0.000 0.000 0.360 520 F C -0.443 175.411 175.800 0.090 0.000 1.147 520 F CA -0.961 57.147 58.000 0.180 0.000 1.170 520 F CB 0.137 39.268 39.000 0.218 0.000 1.339 520 F HN 0.281 nan 8.300 nan 0.000 0.552 521 K N 7.625 127.897 120.400 -0.213 0.000 2.183 521 K HA 0.274 4.594 4.320 -0.000 0.000 0.272 521 K C -1.876 174.390 176.600 -0.558 0.000 1.113 521 K CA -1.430 54.673 56.287 -0.307 0.000 0.949 521 K CB -0.030 32.406 32.500 -0.107 0.000 1.365 521 K HN 0.451 nan 8.250 nan 0.000 0.420 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.698 63.100 -0.670 0.000 0.800 522 P CB 0.000 31.418 31.700 -0.471 0.000 0.726