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 3iyf_1_N DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.084 176.094 -0.016 0.000 1.182 7 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 7 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 8 L N 1.528 122.739 121.223 -0.019 0.000 2.334 8 L HA 0.857 5.197 4.340 0.000 0.000 0.273 8 L C -2.053 174.803 176.870 -0.022 0.000 1.013 8 L CA -1.820 53.006 54.840 -0.023 0.000 0.816 8 L CB -0.198 41.843 42.059 -0.030 0.000 1.278 8 L HN -0.034 nan 8.230 nan 0.000 0.431 9 P HA 0.102 nan 4.420 nan 0.000 0.271 9 P C -0.655 176.632 177.300 -0.021 0.000 1.233 9 P CA -0.606 62.482 63.100 -0.019 0.000 0.789 9 P CB 0.281 31.969 31.700 -0.020 0.000 0.951 10 E N 0.666 120.856 120.200 -0.017 0.000 2.213 10 E HA -0.327 4.023 4.350 0.000 0.000 0.359 10 E C 0.290 176.877 176.600 -0.021 0.000 0.668 10 E CA 1.661 58.051 56.400 -0.017 0.000 1.313 10 E CB -0.628 29.064 29.700 -0.013 0.000 0.552 10 E HN 0.642 nan 8.360 nan 0.000 0.416 11 N N -0.231 118.457 118.700 -0.020 0.000 2.946 11 N HA -0.260 4.480 4.740 0.000 0.000 0.207 11 N C -0.229 175.259 175.510 -0.037 0.000 0.906 11 N CA 1.010 54.047 53.050 -0.022 0.000 1.035 11 N CB -0.836 37.641 38.487 -0.016 0.000 0.998 11 N HN 0.302 nan 8.380 nan 0.000 0.595 12 M N 2.061 121.636 119.600 -0.043 0.000 2.522 12 M HA 0.154 4.634 4.480 0.000 0.000 0.333 12 M C -0.289 175.959 176.300 -0.086 0.000 1.632 12 M CA 1.073 56.335 55.300 -0.064 0.000 1.293 12 M CB 0.177 32.743 32.600 -0.057 0.000 1.857 12 M HN 0.007 nan 8.290 nan 0.000 0.456 13 K N 3.034 123.349 120.400 -0.141 0.000 2.185 13 K HA 0.601 4.921 4.320 0.000 0.000 0.269 13 K C -0.441 175.933 176.600 -0.377 0.000 0.987 13 K CA -0.666 55.479 56.287 -0.236 0.000 0.865 13 K CB 1.783 34.112 32.500 -0.286 0.000 1.090 13 K HN 0.470 nan 8.250 nan 0.000 0.450 14 R N 2.991 123.261 120.500 -0.383 0.000 2.575 14 R HA 0.348 4.688 4.340 0.000 0.000 0.293 14 R C -1.535 174.616 176.300 -0.249 0.000 0.983 14 R CA -0.549 55.379 56.100 -0.287 0.000 0.887 14 R CB 0.929 31.160 30.300 -0.116 0.000 1.184 14 R HN 0.570 nan 8.270 nan 0.000 0.445 15 Y N 4.083 124.393 120.300 0.017 0.000 2.485 15 Y HA 0.607 5.157 4.550 -0.000 0.000 0.345 15 Y C 0.023 175.932 175.900 0.015 0.000 0.998 15 Y CA -1.214 56.898 58.100 0.019 0.000 1.059 15 Y CB 2.104 40.580 38.460 0.028 0.000 1.234 15 Y HN 0.391 nan 8.280 nan 0.000 0.461 16 M N -0.060 119.655 119.600 0.191 0.000 2.843 16 M HA 0.836 5.316 4.480 0.000 0.000 0.273 16 M C 0.583 176.925 176.300 0.071 0.000 1.286 16 M CA -0.332 55.025 55.300 0.095 0.000 0.807 16 M CB 1.327 33.969 32.600 0.071 0.000 1.684 16 M HN 0.755 nan 8.290 nan 0.000 0.458 17 G N 1.052 109.880 108.800 0.046 0.000 2.677 17 G HA2 -0.317 3.643 3.960 0.000 0.000 0.321 17 G HA3 -0.317 3.643 3.960 0.000 0.000 0.321 17 G C 0.920 175.833 174.900 0.023 0.000 1.181 17 G CA 1.156 46.276 45.100 0.033 0.000 0.965 17 G HN 1.040 nan 8.290 nan 0.000 0.548 18 R N 1.281 121.788 120.500 0.011 0.000 2.250 18 R HA 0.092 4.432 4.340 0.000 0.000 0.194 18 R C 1.658 177.932 176.300 -0.043 0.000 0.927 18 R CA 1.491 57.585 56.100 -0.010 0.000 1.052 18 R CB -0.439 29.854 30.300 -0.011 0.000 1.055 18 R HN 0.441 nan 8.270 nan 0.000 0.537 19 D N 1.387 121.760 120.400 -0.046 0.000 2.421 19 D HA -0.127 4.513 4.640 0.000 0.000 0.223 19 D C 1.023 177.238 176.300 -0.141 0.000 0.979 19 D CA 1.332 55.254 54.000 -0.130 0.000 0.959 19 D CB 0.294 41.052 40.800 -0.070 0.000 0.874 19 D HN 0.478 nan 8.370 nan 0.000 0.513 20 A N -1.453 121.356 122.820 -0.019 0.000 1.696 20 A HA 0.054 4.374 4.320 0.000 0.000 0.184 20 A C 1.250 178.874 177.584 0.066 0.000 1.658 20 A CA 0.626 52.711 52.037 0.080 0.000 1.194 20 A CB 0.168 19.233 19.000 0.109 0.000 1.036 20 A HN 0.015 nan 8.150 nan 0.000 0.579 21 Q N -0.916 118.908 119.800 0.040 0.000 2.632 21 Q HA -0.395 3.945 4.340 0.000 0.000 0.459 21 Q C 1.869 177.870 176.000 0.002 0.000 0.530 21 Q CA 2.748 58.559 55.803 0.014 0.000 1.014 21 Q CB -0.758 27.983 28.738 0.004 0.000 1.769 21 Q HN 0.708 nan 8.270 nan 0.000 1.079 22 R N 0.572 121.054 120.500 -0.029 0.000 2.210 22 R HA 0.027 4.367 4.340 0.000 0.000 0.203 22 R C 1.976 178.242 176.300 -0.057 0.000 1.010 22 R CA 1.359 57.430 56.100 -0.049 0.000 1.008 22 R CB -0.167 30.087 30.300 -0.076 0.000 0.923 22 R HN 0.455 nan 8.270 nan 0.000 0.469 23 M N 1.386 120.953 119.600 -0.054 0.000 2.065 23 M HA -0.155 4.325 4.480 0.000 0.000 0.259 23 M C 1.753 178.090 176.300 0.061 0.000 1.069 23 M CA 1.913 57.203 55.300 -0.018 0.000 1.110 23 M CB -1.073 31.583 32.600 0.094 0.000 1.328 23 M HN 0.330 nan 8.290 nan 0.000 0.405 24 N N 0.157 118.920 118.700 0.105 0.000 2.135 24 N HA -0.057 4.683 4.740 0.000 0.000 0.186 24 N C 1.904 177.455 175.510 0.069 0.000 1.027 24 N CA 0.857 53.979 53.050 0.121 0.000 0.849 24 N CB 0.050 38.590 38.487 0.087 0.000 1.002 24 N HN 0.227 nan 8.380 nan 0.000 0.425 25 I N 1.727 122.318 120.570 0.036 0.000 2.069 25 I HA -0.322 3.848 4.170 0.000 0.000 0.237 25 I C 2.419 178.540 176.117 0.005 0.000 1.053 25 I CA 1.140 62.448 61.300 0.014 0.000 1.311 25 I CB -0.343 37.657 38.000 -0.001 0.000 1.030 25 I HN 0.166 nan 8.210 nan 0.000 0.398 26 L N 0.372 121.587 121.223 -0.013 0.000 2.030 26 L HA -0.364 3.976 4.340 0.000 0.000 0.222 26 L C 2.659 179.524 176.870 -0.009 0.000 1.082 26 L CA 1.974 56.799 54.840 -0.025 0.000 0.785 26 L CB -0.509 41.513 42.059 -0.061 0.000 0.895 26 L HN 0.376 nan 8.230 nan 0.000 0.439 27 A N -0.813 122.018 122.820 0.019 0.000 1.969 27 A HA -0.078 4.242 4.320 0.000 0.000 0.218 27 A C 2.266 179.878 177.584 0.047 0.000 1.169 27 A CA 1.474 53.545 52.037 0.056 0.000 0.635 27 A CB -0.988 18.106 19.000 0.156 0.000 0.810 27 A HN 0.531 nan 8.150 nan 0.000 0.445 28 G N -0.479 108.344 108.800 0.037 0.000 2.404 28 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 28 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 28 G C 1.786 176.692 174.900 0.011 0.000 1.174 28 G CA 0.815 45.929 45.100 0.024 0.000 0.780 28 G HN 0.525 nan 8.290 nan 0.000 0.537 29 R N -0.185 120.318 120.500 0.005 0.000 2.075 29 R HA 0.091 4.431 4.340 0.000 0.000 0.232 29 R C 2.515 178.813 176.300 -0.004 0.000 1.126 29 R CA 0.762 56.860 56.100 -0.003 0.000 0.963 29 R CB -0.403 29.893 30.300 -0.007 0.000 0.858 29 R HN 0.359 nan 8.270 nan 0.000 0.435 30 I N 1.297 121.866 120.570 -0.002 0.000 2.053 30 I HA -0.424 3.746 4.170 0.000 0.000 0.227 30 I C 2.024 178.141 176.117 0.000 0.000 1.017 30 I CA 1.789 63.088 61.300 -0.002 0.000 1.315 30 I CB -0.623 37.377 38.000 0.000 0.000 1.036 30 I HN 0.184 nan 8.210 nan 0.000 0.386 31 I N 0.463 121.037 120.570 0.006 0.000 4.624 31 I HA -0.495 3.675 4.170 0.000 0.000 0.074 31 I C 2.344 178.462 176.117 0.002 0.000 0.637 31 I CA 2.756 64.060 61.300 0.008 0.000 0.639 31 I CB -2.333 35.675 38.000 0.014 0.000 0.586 31 I HN 0.454 nan 8.210 nan 0.000 0.180 32 A N 0.786 123.605 122.820 -0.001 0.000 1.872 32 A HA -0.127 4.193 4.320 0.000 0.000 0.214 32 A C 2.134 179.713 177.584 -0.009 0.000 1.187 32 A CA 1.714 53.748 52.037 -0.006 0.000 0.614 32 A CB -0.744 18.250 19.000 -0.010 0.000 0.826 32 A HN 0.734 nan 8.150 nan 0.000 0.442 33 E N -0.179 120.016 120.200 -0.009 0.000 2.119 33 E HA -0.286 4.064 4.350 0.000 0.000 0.221 33 E C 1.993 178.588 176.600 -0.008 0.000 1.062 33 E CA 2.226 58.621 56.400 -0.009 0.000 0.894 33 E CB -1.015 28.680 29.700 -0.009 0.000 0.785 33 E HN 0.686 nan 8.360 nan 0.000 0.472 34 T N 1.299 115.850 114.554 -0.005 0.000 2.238 34 T HA -0.240 4.110 4.350 0.000 0.000 0.209 34 T C 1.933 176.631 174.700 -0.005 0.000 1.608 34 T CA 2.468 64.566 62.100 -0.003 0.000 1.140 34 T CB -0.859 68.009 68.868 -0.000 0.000 0.854 34 T HN 0.192 nan 8.240 nan 0.000 0.402 35 V N 2.510 122.422 119.914 -0.004 0.000 3.620 35 V HA 0.155 4.275 4.120 0.000 0.000 0.286 35 V C 2.311 178.401 176.094 -0.008 0.000 1.288 35 V CA 0.539 62.837 62.300 -0.004 0.000 1.178 35 V CB -1.366 30.456 31.823 -0.002 0.000 0.986 35 V HN 0.514 nan 8.190 nan 0.000 0.431 36 R N 2.337 122.831 120.500 -0.010 0.000 2.091 36 R HA -0.142 4.198 4.340 0.000 0.000 0.238 36 R C 1.880 178.172 176.300 -0.014 0.000 1.136 36 R CA 2.102 58.193 56.100 -0.014 0.000 0.959 36 R CB -0.989 29.301 30.300 -0.016 0.000 0.856 36 R HN 0.632 nan 8.270 nan 0.000 0.437 37 S N 0.236 115.928 115.700 -0.013 0.000 2.593 37 S HA 0.001 4.471 4.470 0.000 0.000 0.217 37 S C 1.608 176.200 174.600 -0.013 0.000 0.966 37 S CA 0.489 58.681 58.200 -0.014 0.000 0.914 37 S CB 0.255 63.445 63.200 -0.016 0.000 0.776 37 S HN 0.543 nan 8.310 nan 0.000 0.523 38 T N 1.079 115.627 114.554 -0.010 0.000 2.851 38 T HA 0.155 4.505 4.350 0.000 0.000 0.262 38 T C 0.697 175.393 174.700 -0.007 0.000 1.043 38 T CA -0.028 62.068 62.100 -0.006 0.000 1.140 38 T CB -0.650 68.217 68.868 -0.002 0.000 0.872 38 T HN 0.348 nan 8.240 nan 0.000 0.446 39 L N 2.279 123.497 121.223 -0.009 0.000 2.455 39 L HA 0.473 4.813 4.340 0.000 0.000 0.272 39 L C 0.818 177.682 176.870 -0.011 0.000 1.174 39 L CA 1.267 56.102 54.840 -0.008 0.000 0.869 39 L CB -0.482 41.575 42.059 -0.003 0.000 1.130 39 L HN 0.759 nan 8.230 nan 0.000 0.474 40 G N 3.950 112.746 108.800 -0.007 0.000 2.660 40 G HA2 -0.195 3.765 3.960 0.000 0.000 0.247 40 G HA3 -0.195 3.765 3.960 0.000 0.000 0.247 40 G C -2.153 172.736 174.900 -0.018 0.000 1.328 40 G CA -0.375 44.718 45.100 -0.012 0.000 0.884 40 G HN 0.497 nan 8.290 nan 0.000 0.531 41 P HA 0.114 nan 4.420 nan 0.000 0.234 41 P C 1.282 178.533 177.300 -0.082 0.000 1.167 41 P CA 1.247 64.310 63.100 -0.062 0.000 0.763 41 P CB 0.166 31.781 31.700 -0.143 0.000 0.835 42 K N -2.240 118.120 120.400 -0.067 0.000 2.521 42 K HA 0.254 4.574 4.320 0.000 0.000 0.213 42 K C 0.991 177.567 176.600 -0.040 0.000 1.223 42 K CA 0.133 56.379 56.287 -0.067 0.000 1.013 42 K CB 0.511 32.967 32.500 -0.074 0.000 1.017 42 K HN 0.005 nan 8.250 nan 0.000 0.591 43 G N 1.136 109.919 108.800 -0.029 0.000 2.634 43 G HA2 0.346 4.306 3.960 0.000 0.000 0.255 43 G HA3 0.346 4.306 3.960 0.000 0.000 0.255 43 G C -0.033 174.858 174.900 -0.014 0.000 1.205 43 G CA -0.115 44.974 45.100 -0.019 0.000 0.884 43 G HN -0.100 nan 8.290 nan 0.000 0.549 44 M N -0.420 119.173 119.600 -0.011 0.000 2.691 44 M HA 0.395 4.875 4.480 0.000 0.000 0.293 44 M C -0.623 175.674 176.300 -0.005 0.000 1.259 44 M CA -0.988 54.307 55.300 -0.009 0.000 0.827 44 M CB 1.970 34.564 32.600 -0.010 0.000 1.753 44 M HN 0.419 nan 8.290 nan 0.000 0.465 45 D N 0.983 121.381 120.400 -0.004 0.000 2.440 45 D HA 0.590 5.230 4.640 0.000 0.000 0.269 45 D C -0.700 175.600 176.300 -0.001 0.000 1.249 45 D CA 0.079 54.078 54.000 -0.002 0.000 1.055 45 D CB 0.735 41.533 40.800 -0.003 0.000 1.104 45 D HN 0.290 nan 8.370 nan 0.000 0.561 46 K N -0.316 120.084 120.400 0.001 0.000 2.557 46 K HA 0.390 4.710 4.320 0.000 0.000 0.261 46 K C -1.116 175.485 176.600 0.003 0.000 0.932 46 K CA -0.612 55.676 56.287 0.001 0.000 0.829 46 K CB 2.270 34.771 32.500 0.002 0.000 1.358 46 K HN 0.290 nan 8.250 nan 0.000 0.430 47 M N 4.828 124.429 119.600 0.002 0.000 2.085 47 M HA 0.365 4.845 4.480 0.000 0.000 0.309 47 M C -1.569 174.733 176.300 0.004 0.000 0.947 47 M CA -0.723 54.579 55.300 0.004 0.000 0.918 47 M CB 0.627 33.228 32.600 0.002 0.000 1.504 47 M HN 0.587 nan 8.290 nan 0.000 0.420 48 L N 4.568 125.795 121.223 0.006 0.000 2.468 48 L HA 0.810 5.150 4.340 0.000 0.000 0.254 48 L C -0.592 176.281 176.870 0.006 0.000 1.171 48 L CA -1.028 53.816 54.840 0.006 0.000 0.809 48 L CB 1.352 43.416 42.059 0.007 0.000 1.155 48 L HN 0.498 nan 8.230 nan 0.000 0.473 49 V N -0.466 119.452 119.914 0.006 0.000 2.903 49 V HA 0.212 4.332 4.120 0.000 0.000 0.289 49 V C -1.315 174.782 176.094 0.006 0.000 1.355 49 V CA -0.993 61.310 62.300 0.006 0.000 0.953 49 V CB 2.054 33.880 31.823 0.005 0.000 1.102 49 V HN 0.905 nan 8.190 nan 0.000 0.435 50 D N 1.438 121.842 120.400 0.006 0.000 2.449 50 D HA 0.360 5.000 4.640 0.000 0.000 0.250 50 D C 0.725 177.028 176.300 0.006 0.000 1.050 50 D CA -0.531 53.473 54.000 0.006 0.000 1.024 50 D CB 0.855 41.659 40.800 0.006 0.000 1.218 50 D HN 0.403 nan 8.370 nan 0.000 0.566 51 D N 0.006 120.409 120.400 0.006 0.000 3.048 51 D HA -0.247 4.393 4.640 0.000 0.000 0.192 51 D C 1.984 178.287 176.300 0.005 0.000 1.125 51 D CA 1.616 55.620 54.000 0.005 0.000 0.878 51 D CB -0.259 40.544 40.800 0.005 0.000 0.924 51 D HN 0.407 nan 8.370 nan 0.000 0.496 52 L N -0.667 120.559 121.223 0.005 0.000 2.275 52 L HA -0.044 4.296 4.340 0.000 0.000 0.215 52 L C 2.200 179.073 176.870 0.004 0.000 1.119 52 L CA 1.132 55.975 54.840 0.004 0.000 0.790 52 L CB -0.350 41.712 42.059 0.005 0.000 0.919 52 L HN 0.361 nan 8.230 nan 0.000 0.443 53 G N -1.022 107.780 108.800 0.005 0.000 2.284 53 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 53 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 53 G C 0.150 175.053 174.900 0.005 0.000 1.009 53 G CA 0.010 45.112 45.100 0.005 0.000 0.625 53 G HN 0.327 nan 8.290 nan 0.000 0.501 54 D N 1.343 121.746 120.400 0.006 0.000 2.586 54 D HA 0.310 4.950 4.640 0.000 0.000 0.234 54 D C 1.271 177.576 176.300 0.007 0.000 1.132 54 D CA 0.940 54.944 54.000 0.007 0.000 0.860 54 D CB 1.066 41.870 40.800 0.007 0.000 1.159 54 D HN 1.038 nan 8.370 nan 0.000 0.490 55 V N 2.871 122.790 119.914 0.008 0.000 2.276 55 V HA 0.332 4.452 4.120 0.000 0.000 0.249 55 V C 0.113 176.213 176.094 0.010 0.000 1.160 55 V CA -0.705 61.600 62.300 0.008 0.000 1.042 55 V CB 0.087 31.914 31.823 0.006 0.000 1.224 55 V HN 0.213 nan 8.190 nan 0.000 0.496 56 V N 3.397 123.317 119.914 0.011 0.000 2.713 56 V HA 0.682 4.802 4.120 0.000 0.000 0.307 56 V C 0.119 176.221 176.094 0.013 0.000 1.052 56 V CA -0.754 61.554 62.300 0.014 0.000 0.967 56 V CB 1.732 33.563 31.823 0.013 0.000 1.019 56 V HN 0.522 nan 8.190 nan 0.000 0.459 57 V N 2.995 122.919 119.914 0.017 0.000 2.419 57 V HA 0.616 4.736 4.120 0.000 0.000 0.287 57 V C -0.173 175.932 176.094 0.019 0.000 1.017 57 V CA -0.146 62.163 62.300 0.014 0.000 0.844 57 V CB 1.617 33.446 31.823 0.011 0.000 1.011 57 V HN 1.155 nan 8.190 nan 0.000 0.429 58 T N 0.187 114.750 114.554 0.015 0.000 2.971 58 T HA 0.340 4.690 4.350 0.000 0.000 0.304 58 T C 0.582 175.289 174.700 0.012 0.000 1.038 58 T CA -0.654 61.456 62.100 0.017 0.000 1.007 58 T CB 2.042 70.920 68.868 0.017 0.000 1.055 58 T HN 0.525 nan 8.240 nan 0.000 0.451 59 N N 2.082 120.790 118.700 0.013 0.000 2.030 59 N HA -0.133 4.607 4.740 0.000 0.000 0.194 59 N C 0.000 175.515 175.510 0.008 0.000 1.074 59 N CA 1.166 54.222 53.050 0.010 0.000 0.860 59 N CB -1.112 37.379 38.487 0.006 0.000 1.055 59 N HN 0.691 nan 8.380 nan 0.000 0.429 60 D N -0.256 120.150 120.400 0.010 0.000 7.919 60 D HA -0.108 4.532 4.640 0.000 0.000 0.109 60 D C 1.240 177.545 176.300 0.007 0.000 1.117 60 D CA 0.967 54.972 54.000 0.010 0.000 0.840 60 D CB -0.490 40.317 40.800 0.012 0.000 1.658 60 D HN 0.588 nan 8.370 nan 0.000 0.949 61 G N 2.582 111.385 108.800 0.006 0.000 2.545 61 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 61 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 61 G C 1.666 176.570 174.900 0.006 0.000 1.218 61 G CA 1.030 46.133 45.100 0.005 0.000 0.787 61 G HN 0.532 nan 8.290 nan 0.000 0.571 62 V N 0.754 120.672 119.914 0.006 0.000 2.227 62 V HA -0.296 3.824 4.120 0.000 0.000 0.249 62 V C 2.826 178.924 176.094 0.007 0.000 1.046 62 V CA 3.683 65.987 62.300 0.006 0.000 1.015 62 V CB -1.226 30.601 31.823 0.005 0.000 0.648 62 V HN 0.471 nan 8.190 nan 0.000 0.460 63 T N 0.342 114.900 114.554 0.007 0.000 2.693 63 T HA -0.324 4.026 4.350 0.000 0.000 0.263 63 T C 1.667 176.371 174.700 0.008 0.000 1.046 63 T CA 2.700 64.805 62.100 0.007 0.000 1.160 63 T CB -0.560 68.313 68.868 0.008 0.000 0.853 63 T HN 0.556 nan 8.240 nan 0.000 0.462 64 I N -0.386 120.189 120.570 0.008 0.000 2.493 64 I HA -0.071 4.099 4.170 0.000 0.000 0.254 64 I C 1.705 177.827 176.117 0.008 0.000 1.160 64 I CA 1.129 62.434 61.300 0.008 0.000 1.445 64 I CB 0.011 38.015 38.000 0.007 0.000 1.086 64 I HN 0.231 nan 8.210 nan 0.000 0.433 65 L N -0.980 120.248 121.223 0.008 0.000 2.609 65 L HA 0.120 4.460 4.340 0.000 0.000 0.230 65 L C 2.241 179.117 176.870 0.009 0.000 1.087 65 L CA 0.110 54.956 54.840 0.010 0.000 0.874 65 L CB -0.269 41.796 42.059 0.010 0.000 1.114 65 L HN -0.007 nan 8.230 nan 0.000 0.488 66 R N 0.718 121.223 120.500 0.008 0.000 2.127 66 R HA -0.180 4.160 4.340 0.000 0.000 0.228 66 R C 2.071 178.376 176.300 0.008 0.000 1.125 66 R CA 1.953 58.057 56.100 0.007 0.000 0.904 66 R CB -0.063 30.241 30.300 0.006 0.000 0.831 66 R HN 0.171 nan 8.270 nan 0.000 0.431 67 E N 0.791 120.996 120.200 0.008 0.000 2.054 67 E HA -0.250 4.100 4.350 0.000 0.000 0.225 67 E C 1.092 177.698 176.600 0.009 0.000 1.048 67 E CA 1.072 57.477 56.400 0.008 0.000 0.899 67 E CB -0.590 29.114 29.700 0.008 0.000 0.801 67 E HN 0.372 nan 8.360 nan 0.000 0.495 68 M N 2.154 121.759 119.600 0.009 0.000 3.265 68 M HA -0.103 4.377 4.480 0.000 0.000 0.371 68 M C 0.375 176.683 176.300 0.013 0.000 1.795 68 M CA 0.406 55.712 55.300 0.011 0.000 1.483 68 M CB -2.205 30.402 32.600 0.012 0.000 1.837 68 M HN 0.112 nan 8.290 nan 0.000 0.483 69 S N 2.067 117.774 115.700 0.012 0.000 3.649 69 S HA -0.066 4.404 4.470 0.000 0.000 0.266 69 S C 0.250 174.861 174.600 0.019 0.000 0.483 69 S CA 0.072 58.280 58.200 0.014 0.000 1.677 69 S CB -0.590 62.617 63.200 0.012 0.000 1.239 69 S HN 0.554 nan 8.310 nan 0.000 0.425 70 V N 4.708 124.636 119.914 0.023 0.000 2.572 70 V HA 0.293 4.413 4.120 0.000 0.000 0.291 70 V C 1.128 177.247 176.094 0.041 0.000 1.039 70 V CA 0.675 62.995 62.300 0.034 0.000 1.055 70 V CB 0.859 32.701 31.823 0.031 0.000 0.969 70 V HN 0.975 nan 8.190 nan 0.000 0.482 71 E N 4.063 124.300 120.200 0.063 0.000 2.075 71 E HA -0.035 4.315 4.350 0.000 0.000 0.190 71 E C 0.515 177.199 176.600 0.140 0.000 0.969 71 E CA 0.130 56.582 56.400 0.087 0.000 0.815 71 E CB -0.262 29.489 29.700 0.086 0.000 0.776 71 E HN 0.801 nan 8.360 nan 0.000 0.457 72 H N 2.356 121.435 119.070 0.016 0.000 3.145 72 H HA 0.048 4.604 4.556 0.000 0.000 0.288 72 H C -1.806 173.533 175.328 0.018 0.000 0.969 72 H CA -1.719 54.342 56.048 0.020 0.000 1.444 72 H CB 1.277 31.052 29.762 0.022 0.000 1.500 72 H HN 0.111 nan 8.280 nan 0.000 0.552 73 P HA -0.048 nan 4.420 nan 0.000 0.225 73 P C 0.938 178.154 177.300 -0.139 0.000 1.156 73 P CA 1.259 64.236 63.100 -0.205 0.000 0.787 73 P CB 0.361 31.934 31.700 -0.212 0.000 0.802 74 A N 0.557 123.267 122.820 -0.182 0.000 1.898 74 A HA -0.052 4.268 4.320 0.000 0.000 0.216 74 A C 2.305 179.896 177.584 0.011 0.000 1.181 74 A CA 1.810 53.821 52.037 -0.044 0.000 0.620 74 A CB -1.575 17.433 19.000 0.013 0.000 0.819 74 A HN 0.180 nan 8.150 nan 0.000 0.442 75 A N -0.058 122.788 122.820 0.043 0.000 1.978 75 A HA -0.192 4.128 4.320 0.000 0.000 0.220 75 A C 2.060 179.661 177.584 0.028 0.000 1.170 75 A CA 1.971 54.045 52.037 0.061 0.000 0.636 75 A CB -0.382 18.684 19.000 0.109 0.000 0.810 75 A HN 0.583 nan 8.150 nan 0.000 0.448 76 K N -0.908 119.495 120.400 0.006 0.000 2.167 76 K HA 0.119 4.439 4.320 0.000 0.000 0.203 76 K C 1.055 177.654 176.600 -0.001 0.000 1.052 76 K CA 1.103 57.389 56.287 -0.001 0.000 0.956 76 K CB -0.093 32.401 32.500 -0.010 0.000 0.735 76 K HN 0.499 nan 8.250 nan 0.000 0.451 77 M N 0.835 120.433 119.600 -0.004 0.000 2.719 77 M HA 0.139 4.619 4.480 0.000 0.000 0.247 77 M C 0.922 177.227 176.300 0.008 0.000 1.287 77 M CA 0.355 55.655 55.300 0.000 0.000 1.004 77 M CB 0.309 32.908 32.600 -0.002 0.000 1.514 77 M HN 0.104 nan 8.290 nan 0.000 0.462 78 L N -0.842 120.387 121.223 0.011 0.000 2.806 78 L HA 0.212 4.552 4.340 0.000 0.000 0.242 78 L C 1.708 178.585 176.870 0.012 0.000 1.068 78 L CA 0.115 54.963 54.840 0.014 0.000 0.923 78 L CB 0.357 42.427 42.059 0.018 0.000 1.364 78 L HN 0.265 nan 8.230 nan 0.000 0.511 79 I N 0.676 121.252 120.570 0.011 0.000 2.567 79 I HA -0.214 3.957 4.170 0.000 0.000 0.257 79 I C 1.705 177.826 176.117 0.008 0.000 1.184 79 I CA 1.787 63.092 61.300 0.009 0.000 1.451 79 I CB -0.129 37.876 38.000 0.009 0.000 1.089 79 I HN 0.281 nan 8.210 nan 0.000 0.441 80 E N -0.935 119.270 120.200 0.008 0.000 2.474 80 E HA 0.040 4.390 4.350 0.000 0.000 0.194 80 E C 1.744 178.349 176.600 0.009 0.000 1.041 80 E CA 0.448 56.852 56.400 0.007 0.000 0.874 80 E CB 0.255 29.958 29.700 0.005 0.000 0.914 80 E HN 0.402 nan 8.360 nan 0.000 0.498 81 V N -0.290 119.630 119.914 0.011 0.000 3.644 81 V HA 0.202 4.322 4.120 0.000 0.000 0.267 81 V C 1.657 177.758 176.094 0.011 0.000 1.277 81 V CA 0.976 63.283 62.300 0.013 0.000 1.096 81 V CB 0.627 32.459 31.823 0.017 0.000 0.828 81 V HN 0.235 nan 8.190 nan 0.000 0.446 82 A N -0.429 122.397 122.820 0.009 0.000 2.288 82 A HA 0.188 4.508 4.320 0.000 0.000 0.216 82 A C 2.091 179.680 177.584 0.007 0.000 1.199 82 A CA 0.332 52.373 52.037 0.008 0.000 0.891 82 A CB -0.006 18.998 19.000 0.007 0.000 0.923 82 A HN 0.307 nan 8.150 nan 0.000 0.500 83 K N -0.244 120.160 120.400 0.007 0.000 2.057 83 K HA -0.093 4.227 4.320 0.000 0.000 0.206 83 K C 1.565 178.169 176.600 0.005 0.000 1.050 83 K CA 1.842 58.133 56.287 0.005 0.000 0.935 83 K CB -0.016 32.487 32.500 0.005 0.000 0.715 83 K HN 0.396 nan 8.250 nan 0.000 0.439 84 T N 0.572 115.130 114.554 0.006 0.000 2.983 84 T HA -0.049 4.301 4.350 0.000 0.000 0.250 84 T C 1.298 176.002 174.700 0.007 0.000 1.037 84 T CA 0.133 62.236 62.100 0.006 0.000 1.142 84 T CB -0.002 68.870 68.868 0.008 0.000 0.876 84 T HN 0.127 nan 8.240 nan 0.000 0.455 85 Q N 1.420 121.225 119.800 0.008 0.000 2.191 85 Q HA -0.269 4.071 4.340 0.000 0.000 0.220 85 Q C 2.097 178.101 176.000 0.006 0.000 1.076 85 Q CA 2.192 58.000 55.803 0.008 0.000 0.945 85 Q CB -0.851 27.893 28.738 0.009 0.000 1.081 85 Q HN 0.534 nan 8.270 nan 0.000 0.460 86 E N 0.310 120.513 120.200 0.005 0.000 2.006 86 E HA -0.167 4.183 4.350 0.000 0.000 0.192 86 E C 1.921 178.523 176.600 0.002 0.000 0.993 86 E CA 1.519 57.922 56.400 0.004 0.000 0.808 86 E CB -0.075 29.628 29.700 0.003 0.000 0.764 86 E HN 0.314 nan 8.360 nan 0.000 0.449 87 K N 0.705 121.106 120.400 0.002 0.000 2.023 87 K HA -0.267 4.053 4.320 0.000 0.000 0.227 87 K C 2.142 178.742 176.600 0.001 0.000 1.054 87 K CA 2.809 59.097 56.287 0.001 0.000 0.977 87 K CB -0.331 32.170 32.500 0.001 0.000 0.733 87 K HN 0.295 nan 8.250 nan 0.000 0.451 88 E N -0.088 120.113 120.200 0.002 0.000 2.017 88 E HA -0.268 4.082 4.350 0.000 0.000 0.220 88 E C 2.094 178.695 176.600 0.002 0.000 1.032 88 E CA 1.965 58.367 56.400 0.002 0.000 0.888 88 E CB -0.640 29.062 29.700 0.003 0.000 0.801 88 E HN 0.178 nan 8.360 nan 0.000 0.503 89 V N -1.182 118.734 119.914 0.003 0.000 2.398 89 V HA 0.177 4.297 4.120 0.000 0.000 0.236 89 V C 1.479 177.574 176.094 0.003 0.000 1.054 89 V CA 2.128 64.430 62.300 0.003 0.000 1.060 89 V CB 0.445 32.270 31.823 0.003 0.000 0.707 89 V HN 0.672 nan 8.190 nan 0.000 0.480 90 G N -1.018 107.785 108.800 0.004 0.000 3.288 90 G HA2 -0.119 3.841 3.960 0.000 0.000 0.195 90 G HA3 -0.119 3.841 3.960 0.000 0.000 0.195 90 G C -0.115 174.788 174.900 0.005 0.000 1.093 90 G CA 0.118 45.221 45.100 0.004 0.000 0.852 90 G HN 0.454 nan 8.290 nan 0.000 0.453 91 D N 1.633 122.037 120.400 0.006 0.000 2.493 91 D HA 0.445 5.085 4.640 0.000 0.000 0.240 91 D C 1.268 177.572 176.300 0.007 0.000 1.142 91 D CA 2.153 56.157 54.000 0.007 0.000 0.872 91 D CB 0.671 41.475 40.800 0.007 0.000 1.173 91 D HN 1.490 nan 8.370 nan 0.000 0.467 92 G N 2.027 110.831 108.800 0.007 0.000 2.164 92 G HA2 -0.279 3.681 3.960 0.000 0.000 0.212 92 G HA3 -0.279 3.681 3.960 0.000 0.000 0.212 92 G C 1.067 175.970 174.900 0.005 0.000 1.031 92 G CA 0.601 45.705 45.100 0.006 0.000 0.730 92 G HN 0.549 nan 8.290 nan 0.000 0.501 93 T N -1.703 112.854 114.554 0.005 0.000 2.643 93 T HA -0.059 4.291 4.350 0.000 0.000 0.256 93 T C 2.565 177.266 174.700 0.003 0.000 1.061 93 T CA 2.452 64.555 62.100 0.005 0.000 1.163 93 T CB -1.197 67.674 68.868 0.005 0.000 0.865 93 T HN 0.918 nan 8.240 nan 0.000 0.407 94 T N 2.447 117.002 114.554 0.001 0.000 2.582 94 T HA -0.327 4.023 4.350 0.000 0.000 0.246 94 T C 2.047 176.744 174.700 -0.005 0.000 1.236 94 T CA 2.713 64.812 62.100 -0.002 0.000 1.125 94 T CB -1.988 66.878 68.868 -0.003 0.000 0.837 94 T HN 0.594 nan 8.240 nan 0.000 0.458 95 T N 2.427 116.979 114.554 -0.004 0.000 2.643 95 T HA 0.082 4.432 4.350 0.000 0.000 0.264 95 T C 2.496 177.192 174.700 -0.008 0.000 1.045 95 T CA 1.396 63.492 62.100 -0.007 0.000 1.155 95 T CB -1.005 67.861 68.868 -0.004 0.000 0.863 95 T HN 0.602 nan 8.240 nan 0.000 0.420 96 A N 0.785 123.606 122.820 0.001 0.000 2.009 96 A HA -0.132 4.188 4.320 0.000 0.000 0.222 96 A C 2.509 180.092 177.584 -0.001 0.000 1.175 96 A CA 1.861 53.901 52.037 0.004 0.000 0.651 96 A CB -1.039 17.968 19.000 0.012 0.000 0.815 96 A HN 0.402 nan 8.150 nan 0.000 0.459 97 V N -1.412 118.500 119.914 -0.003 0.000 2.825 97 V HA -0.063 4.057 4.120 0.000 0.000 0.246 97 V C 2.368 178.455 176.094 -0.011 0.000 1.068 97 V CA 1.325 63.623 62.300 -0.003 0.000 1.088 97 V CB 0.524 32.347 31.823 0.000 0.000 0.733 97 V HN 0.491 nan 8.190 nan 0.000 0.468 98 V N 0.924 120.828 119.914 -0.017 0.000 2.599 98 V HA -0.084 4.037 4.120 0.000 0.000 0.245 98 V C 2.532 178.602 176.094 -0.041 0.000 1.046 98 V CA 1.984 64.270 62.300 -0.024 0.000 1.065 98 V CB 0.393 32.202 31.823 -0.023 0.000 0.703 98 V HN 0.397 nan 8.190 nan 0.000 0.464 99 V N 0.792 120.677 119.914 -0.049 0.000 2.353 99 V HA -0.311 3.809 4.120 0.000 0.000 0.260 99 V C 2.406 178.441 176.094 -0.099 0.000 1.091 99 V CA 3.072 65.323 62.300 -0.082 0.000 1.088 99 V CB -1.797 29.962 31.823 -0.108 0.000 0.672 99 V HN 0.740 nan 8.190 nan 0.000 0.455 100 A N -0.159 122.629 122.820 -0.054 0.000 2.014 100 A HA 0.471 4.791 4.320 0.000 0.000 0.210 100 A C 2.261 179.833 177.584 -0.020 0.000 1.188 100 A CA 0.998 53.018 52.037 -0.030 0.000 0.731 100 A CB -0.669 18.328 19.000 -0.005 0.000 0.858 100 A HN 0.754 nan 8.150 nan 0.000 0.464 101 G N -0.524 108.263 108.800 -0.022 0.000 2.459 101 G HA2 0.005 3.965 3.960 0.000 0.000 0.213 101 G HA3 0.005 3.965 3.960 0.000 0.000 0.213 101 G C 1.366 176.254 174.900 -0.021 0.000 1.155 101 G CA 1.000 46.092 45.100 -0.013 0.000 0.811 101 G HN 0.446 nan 8.290 nan 0.000 0.534 102 E N 0.322 120.501 120.200 -0.036 0.000 2.017 102 E HA -0.071 4.279 4.350 0.000 0.000 0.193 102 E C 2.253 178.826 176.600 -0.045 0.000 0.997 102 E CA 0.591 56.965 56.400 -0.044 0.000 0.804 102 E CB -0.499 29.163 29.700 -0.063 0.000 0.757 102 E HN 0.204 nan 8.360 nan 0.000 0.448 103 L N 0.238 121.412 121.223 -0.081 0.000 2.447 103 L HA -0.097 4.243 4.340 0.000 0.000 0.225 103 L C 1.812 178.699 176.870 0.029 0.000 1.148 103 L CA 1.069 55.868 54.840 -0.069 0.000 0.808 103 L CB -0.120 41.826 42.059 -0.188 0.000 0.928 103 L HN 0.246 nan 8.230 nan 0.000 0.448 104 L N -1.349 119.879 121.223 0.008 0.000 2.145 104 L HA -0.065 4.275 4.340 0.000 0.000 0.201 104 L C 2.648 179.526 176.870 0.012 0.000 1.075 104 L CA 0.743 55.592 54.840 0.015 0.000 0.773 104 L CB -0.507 41.556 42.059 0.007 0.000 0.936 104 L HN 0.256 nan 8.230 nan 0.000 0.451 105 R N 0.528 121.031 120.500 0.005 0.000 2.120 105 R HA -0.178 4.162 4.340 0.000 0.000 0.234 105 R C 1.913 178.221 176.300 0.013 0.000 1.123 105 R CA 1.282 57.384 56.100 0.003 0.000 0.975 105 R CB 0.016 30.314 30.300 -0.004 0.000 0.866 105 R HN 0.081 nan 8.270 nan 0.000 0.446 106 K N 0.521 120.937 120.400 0.027 0.000 2.296 106 K HA 0.113 4.433 4.320 0.000 0.000 0.200 106 K C 1.769 178.413 176.600 0.074 0.000 1.048 106 K CA 1.067 57.386 56.287 0.053 0.000 0.966 106 K CB -0.201 32.343 32.500 0.075 0.000 0.754 106 K HN 0.298 nan 8.250 nan 0.000 0.466 107 A N 0.996 123.850 122.820 0.056 0.000 1.968 107 A HA -0.164 4.156 4.320 0.000 0.000 0.217 107 A C 2.081 179.657 177.584 -0.013 0.000 1.169 107 A CA 1.589 53.623 52.037 -0.004 0.000 0.638 107 A CB -0.326 18.648 19.000 -0.044 0.000 0.812 107 A HN 0.481 nan 8.150 nan 0.000 0.446 108 E N -0.074 120.127 120.200 0.001 0.000 1.983 108 E HA -0.281 4.069 4.350 0.000 0.000 0.208 108 E C 1.314 177.913 176.600 -0.002 0.000 1.006 108 E CA 1.587 57.985 56.400 -0.002 0.000 0.872 108 E CB -0.377 29.321 29.700 -0.003 0.000 0.806 108 E HN 0.513 nan 8.360 nan 0.000 0.510 109 E N -1.125 119.078 120.200 0.004 0.000 3.432 109 E HA -0.323 4.027 4.350 0.000 0.000 0.197 109 E C 1.768 178.371 176.600 0.006 0.000 1.070 109 E CA 2.313 58.718 56.400 0.009 0.000 1.936 109 E CB -0.886 28.828 29.700 0.022 0.000 1.801 109 E HN 0.357 nan 8.360 nan 0.000 0.324 110 L N 0.012 121.237 121.223 0.004 0.000 2.416 110 L HA 0.096 4.436 4.340 0.000 0.000 0.216 110 L C 2.266 179.124 176.870 -0.020 0.000 1.098 110 L CA 0.844 55.680 54.840 -0.007 0.000 0.840 110 L CB -0.204 41.848 42.059 -0.013 0.000 0.981 110 L HN 0.157 nan 8.230 nan 0.000 0.462 111 L N -0.754 120.458 121.223 -0.020 0.000 2.291 111 L HA -0.087 4.253 4.340 0.000 0.000 0.214 111 L C 0.653 177.519 176.870 -0.006 0.000 1.120 111 L CA 0.817 55.647 54.840 -0.016 0.000 0.799 111 L CB -0.168 41.884 42.059 -0.012 0.000 0.925 111 L HN 0.219 nan 8.230 nan 0.000 0.446 112 D N -1.022 119.375 120.400 -0.005 0.000 2.525 112 D HA 0.007 4.647 4.640 0.000 0.000 0.229 112 D C 1.292 177.589 176.300 -0.004 0.000 1.202 112 D CA 0.087 54.086 54.000 -0.003 0.000 0.828 112 D CB 0.777 41.574 40.800 -0.004 0.000 1.008 112 D HN 0.094 nan 8.370 nan 0.000 0.493 113 Q N 0.420 120.216 119.800 -0.007 0.000 2.425 113 Q HA 0.059 4.399 4.340 0.000 0.000 0.204 113 Q C 0.164 176.157 176.000 -0.012 0.000 0.933 113 Q CA 0.105 55.903 55.803 -0.009 0.000 0.939 113 Q CB -0.460 28.271 28.738 -0.012 0.000 1.044 113 Q HN 0.239 nan 8.270 nan 0.000 0.513 114 N N -1.497 117.197 118.700 -0.009 0.000 2.696 114 N HA -0.193 4.547 4.740 0.000 0.000 0.249 114 N C -1.049 174.436 175.510 -0.041 0.000 1.090 114 N CA 0.285 53.330 53.050 -0.009 0.000 0.716 114 N CB -0.704 37.786 38.487 0.004 0.000 1.020 114 N HN 0.011 nan 8.380 nan 0.000 0.548 115 V N 1.946 121.815 119.914 -0.075 0.000 2.475 115 V HA -0.119 4.001 4.120 0.000 0.000 0.292 115 V C 0.776 176.791 176.094 -0.132 0.000 1.003 115 V CA 0.411 62.616 62.300 -0.158 0.000 1.120 115 V CB -0.381 31.349 31.823 -0.156 0.000 0.937 115 V HN 0.371 nan 8.190 nan 0.000 0.476 116 H N 7.641 126.702 119.070 -0.015 0.000 2.732 116 H HA 0.246 4.801 4.556 -0.000 0.000 0.351 116 H C -1.636 173.677 175.328 -0.025 0.000 1.090 116 H CA -2.322 53.716 56.048 -0.016 0.000 1.431 116 H CB -0.126 29.630 29.762 -0.010 0.000 1.447 116 H HN 0.356 nan 8.280 nan 0.000 0.582 117 P HA -0.273 nan 4.420 nan 0.000 0.219 117 P C 0.904 178.255 177.300 0.085 0.000 1.147 117 P CA 2.268 65.419 63.100 0.084 0.000 0.821 117 P CB -0.229 31.515 31.700 0.073 0.000 0.771 118 T N -5.087 109.616 114.554 0.248 0.000 3.194 118 T HA 0.096 4.446 4.350 0.000 0.000 0.251 118 T C 1.533 176.255 174.700 0.036 0.000 1.132 118 T CA -0.003 62.195 62.100 0.165 0.000 1.028 118 T CB -0.470 68.609 68.868 0.352 0.000 0.976 118 T HN -0.046 nan 8.240 nan 0.000 0.535 119 I N -0.388 120.151 120.570 -0.052 0.000 3.366 119 I HA 0.134 4.304 4.170 0.000 0.000 0.267 119 I C 2.464 178.548 176.117 -0.055 0.000 1.149 119 I CA 0.239 61.499 61.300 -0.066 0.000 1.436 119 I CB -0.580 37.341 38.000 -0.132 0.000 1.379 119 I HN 0.130 nan 8.210 nan 0.000 0.460 120 V N 2.022 121.865 119.914 -0.119 0.000 2.265 120 V HA -0.355 3.765 4.120 0.000 0.000 0.259 120 V C 2.553 178.462 176.094 -0.308 0.000 1.084 120 V CA 3.175 65.316 62.300 -0.266 0.000 1.076 120 V CB -0.276 31.381 31.823 -0.276 0.000 0.680 120 V HN 0.343 nan 8.190 nan 0.000 0.452 121 V N -2.629 117.208 119.914 -0.129 0.000 2.379 121 V HA -0.022 4.098 4.120 0.000 0.000 0.243 121 V C 2.311 178.445 176.094 0.066 0.000 1.035 121 V CA 1.908 64.191 62.300 -0.029 0.000 1.035 121 V CB -0.965 30.867 31.823 0.015 0.000 0.673 121 V HN 0.422 nan 8.190 nan 0.000 0.457 122 K N 1.595 122.023 120.400 0.047 0.000 2.519 122 K HA 0.023 4.343 4.320 0.000 0.000 0.196 122 K C 1.785 178.444 176.600 0.098 0.000 1.041 122 K CA 1.131 57.455 56.287 0.062 0.000 0.954 122 K CB -0.566 31.958 32.500 0.041 0.000 0.774 122 K HN 0.629 nan 8.250 nan 0.000 0.480 123 G N -0.964 107.940 108.800 0.174 0.000 2.508 123 G HA2 -0.147 3.813 3.960 0.000 0.000 0.212 123 G HA3 -0.147 3.813 3.960 0.000 0.000 0.212 123 G C 0.673 175.751 174.900 0.297 0.000 1.206 123 G CA -0.016 45.252 45.100 0.280 0.000 0.822 123 G HN 0.249 nan 8.290 nan 0.000 0.550 124 Y N 2.334 122.650 120.300 0.025 0.000 2.716 124 Y HA -0.046 4.504 4.550 0.000 0.000 0.302 124 Y C 2.913 178.724 175.900 -0.149 0.000 1.160 124 Y CA 0.700 58.784 58.100 -0.027 0.000 1.362 124 Y CB -0.460 38.143 38.460 0.239 0.000 0.988 124 Y HN 0.541 nan 8.280 nan 0.000 0.546 125 Q N -1.274 118.562 119.800 0.061 0.000 2.226 125 Q HA 0.103 4.443 4.340 0.000 0.000 0.199 125 Q C 2.244 178.208 176.000 -0.061 0.000 0.945 125 Q CA 0.872 56.669 55.803 -0.010 0.000 0.861 125 Q CB -0.492 28.268 28.738 0.037 0.000 0.953 125 Q HN 0.214 nan 8.270 nan 0.000 0.490 126 A N 1.497 124.303 122.820 -0.024 0.000 1.968 126 A HA 0.202 4.522 4.320 0.000 0.000 0.217 126 A C 2.262 179.783 177.584 -0.106 0.000 1.169 126 A CA 1.197 53.228 52.037 -0.009 0.000 0.638 126 A CB -0.549 18.501 19.000 0.083 0.000 0.812 126 A HN 0.500 nan 8.150 nan 0.000 0.446 127 A N -0.921 121.779 122.820 -0.199 0.000 2.206 127 A HA 0.457 4.777 4.320 0.000 0.000 0.211 127 A C 2.023 179.245 177.584 -0.603 0.000 1.158 127 A CA 1.310 53.102 52.037 -0.408 0.000 0.761 127 A CB -0.391 18.359 19.000 -0.416 0.000 0.801 127 A HN 0.863 nan 8.150 nan 0.000 0.473 128 A N -0.375 122.144 122.820 -0.503 0.000 2.140 128 A HA 0.201 4.521 4.320 0.000 0.000 0.209 128 A C 1.941 179.400 177.584 -0.208 0.000 1.181 128 A CA 0.844 52.653 52.037 -0.381 0.000 0.824 128 A CB -0.157 18.670 19.000 -0.287 0.000 0.879 128 A HN 0.561 nan 8.150 nan 0.000 0.480 129 Q N 0.886 120.575 119.800 -0.185 0.000 1.917 129 Q HA -0.166 4.174 4.340 0.000 0.000 0.205 129 Q C 1.847 177.748 176.000 -0.165 0.000 0.988 129 Q CA 1.912 57.633 55.803 -0.137 0.000 0.851 129 Q CB -0.669 28.021 28.738 -0.081 0.000 0.916 129 Q HN 0.462 nan 8.270 nan 0.000 0.424 130 K N 0.780 121.030 120.400 -0.250 0.000 2.160 130 K HA -0.133 4.187 4.320 0.000 0.000 0.206 130 K C 1.734 178.162 176.600 -0.286 0.000 1.047 130 K CA 1.496 57.574 56.287 -0.349 0.000 0.930 130 K CB -0.444 31.604 32.500 -0.754 0.000 0.720 130 K HN 0.363 nan 8.250 nan 0.000 0.450 131 A N 0.004 122.666 122.820 -0.264 0.000 2.251 131 A HA 0.032 4.352 4.320 0.000 0.000 0.209 131 A C 1.591 179.104 177.584 -0.117 0.000 1.187 131 A CA 0.146 52.068 52.037 -0.192 0.000 0.823 131 A CB -0.111 18.783 19.000 -0.177 0.000 0.846 131 A HN 0.292 nan 8.150 nan 0.000 0.486 132 Q N 0.245 119.975 119.800 -0.117 0.000 2.013 132 Q HA -0.104 4.236 4.340 0.000 0.000 0.195 132 Q C 1.540 177.499 176.000 -0.069 0.000 0.974 132 Q CA 1.231 56.987 55.803 -0.078 0.000 0.826 132 Q CB -0.514 28.183 28.738 -0.069 0.000 0.895 132 Q HN 0.772 nan 8.270 nan 0.000 0.448 133 E N 0.803 120.953 120.200 -0.083 0.000 2.446 133 E HA -0.274 4.076 4.350 0.000 0.000 0.248 133 E C 1.965 178.524 176.600 -0.069 0.000 1.081 133 E CA 2.090 58.441 56.400 -0.081 0.000 1.143 133 E CB -0.806 28.835 29.700 -0.098 0.000 1.012 133 E HN 0.335 nan 8.360 nan 0.000 0.487 134 L N -0.117 121.054 121.223 -0.086 0.000 2.477 134 L HA 0.074 4.414 4.340 0.000 0.000 0.220 134 L C 2.524 179.366 176.870 -0.047 0.000 1.106 134 L CA 0.035 54.834 54.840 -0.068 0.000 0.851 134 L CB -0.153 41.856 42.059 -0.083 0.000 0.994 134 L HN 0.010 nan 8.230 nan 0.000 0.462 135 L N 0.278 121.474 121.223 -0.044 0.000 2.095 135 L HA -0.102 4.238 4.340 0.000 0.000 0.204 135 L C 2.431 179.291 176.870 -0.017 0.000 1.080 135 L CA 1.029 55.852 54.840 -0.027 0.000 0.759 135 L CB -0.343 41.703 42.059 -0.022 0.000 0.914 135 L HN 0.184 nan 8.230 nan 0.000 0.439 136 K N -0.274 120.114 120.400 -0.020 0.000 2.242 136 K HA -0.229 4.091 4.320 0.000 0.000 0.206 136 K C 1.823 178.418 176.600 -0.009 0.000 1.045 136 K CA 1.993 58.272 56.287 -0.014 0.000 0.930 136 K CB -0.857 31.635 32.500 -0.013 0.000 0.726 136 K HN 0.500 nan 8.250 nan 0.000 0.462 137 T N -1.053 113.495 114.554 -0.009 0.000 3.033 137 T HA 0.096 4.446 4.350 0.000 0.000 0.248 137 T C 1.998 176.704 174.700 0.012 0.000 1.040 137 T CA 0.270 62.369 62.100 -0.001 0.000 1.133 137 T CB -0.468 68.397 68.868 -0.005 0.000 0.895 137 T HN 0.347 nan 8.240 nan 0.000 0.465 138 I N 1.656 122.233 120.570 0.012 0.000 2.163 138 I HA 0.188 4.358 4.170 0.000 0.000 0.243 138 I C 1.595 177.735 176.117 0.038 0.000 1.085 138 I CA 0.568 61.890 61.300 0.035 0.000 1.347 138 I CB -1.636 36.377 38.000 0.022 0.000 1.044 138 I HN 0.282 nan 8.210 nan 0.000 0.408 139 A N 1.679 124.513 122.820 0.023 0.000 2.142 139 A HA -0.184 4.136 4.320 0.000 0.000 0.324 139 A C 0.754 178.352 177.584 0.022 0.000 0.809 139 A CA 0.837 52.885 52.037 0.019 0.000 1.411 139 A CB -1.185 17.821 19.000 0.010 0.000 0.644 139 A HN 0.867 nan 8.150 nan 0.000 0.258 140 C N 3.558 122.871 119.300 0.022 0.000 2.560 140 C HA 0.504 4.964 4.460 0.000 0.000 0.506 140 C C 0.591 175.588 174.990 0.011 0.000 1.116 140 C CA -0.971 58.057 59.018 0.017 0.000 1.425 140 C CB -1.848 25.902 27.740 0.016 0.000 1.543 140 C HN 0.814 nan 8.230 nan 0.000 0.586 141 E N 1.313 121.518 120.200 0.009 0.000 2.556 141 E HA 0.198 4.548 4.350 0.000 0.000 0.273 141 E C 0.023 176.626 176.600 0.005 0.000 1.123 141 E CA 0.768 57.172 56.400 0.006 0.000 1.033 141 E CB 0.166 29.869 29.700 0.005 0.000 1.025 141 E HN 1.463 nan 8.360 nan 0.000 0.465 142 V N -3.606 116.310 119.914 0.004 0.000 4.997 142 V HA 0.217 4.337 4.120 0.000 0.000 0.232 142 V C -0.230 175.866 176.094 0.003 0.000 1.225 142 V CA -0.515 61.787 62.300 0.004 0.000 1.310 142 V CB -0.266 31.560 31.823 0.004 0.000 0.629 142 V HN 0.917 nan 8.190 nan 0.000 0.468 143 G N 2.930 111.731 108.800 0.003 0.000 2.372 143 G HA2 0.660 4.620 3.960 0.000 0.000 0.286 143 G HA3 0.660 4.620 3.960 0.000 0.000 0.286 143 G C 1.189 176.090 174.900 0.002 0.000 1.153 143 G CA 0.498 45.600 45.100 0.002 0.000 0.985 143 G HN 2.426 nan 8.290 nan 0.000 0.429 144 A N 2.774 125.596 122.820 0.002 0.000 2.710 144 A HA -0.331 3.989 4.320 0.000 0.000 0.309 144 A C 1.678 179.263 177.584 0.002 0.000 4.150 144 A CA 2.719 54.757 52.037 0.002 0.000 0.983 144 A CB -1.070 17.931 19.000 0.002 0.000 0.655 144 A HN 1.570 nan 8.150 nan 0.000 0.407 145 Q N -0.486 119.315 119.800 0.002 0.000 2.943 145 Q HA 0.606 4.946 4.340 0.000 0.000 0.327 145 Q C -1.049 174.953 176.000 0.002 0.000 0.937 145 Q CA -0.042 55.762 55.803 0.002 0.000 0.914 145 Q CB 0.550 29.289 28.738 0.002 0.000 1.339 145 Q HN 0.491 nan 8.270 nan 0.000 0.417 146 D N 1.319 121.720 120.400 0.002 0.000 2.264 146 D HA 0.107 4.747 4.640 0.000 0.000 0.250 146 D C 0.476 176.777 176.300 0.002 0.000 1.113 146 D CA -0.238 53.764 54.000 0.002 0.000 0.871 146 D CB 1.440 42.241 40.800 0.002 0.000 1.167 146 D HN 0.386 nan 8.370 nan 0.000 0.447 147 K N 2.769 123.170 120.400 0.001 0.000 2.057 147 K HA -0.154 4.166 4.320 0.000 0.000 0.206 147 K C 1.526 178.127 176.600 0.001 0.000 1.050 147 K CA 0.882 57.170 56.287 0.001 0.000 0.935 147 K CB 0.140 32.641 32.500 0.001 0.000 0.715 147 K HN 0.610 nan 8.250 nan 0.000 0.439 148 E N 1.141 121.342 120.200 0.001 0.000 2.049 148 E HA -0.211 4.139 4.350 0.000 0.000 0.198 148 E C 1.861 178.462 176.600 0.001 0.000 1.007 148 E CA 1.880 58.280 56.400 0.000 0.000 0.809 148 E CB -0.165 29.535 29.700 -0.001 0.000 0.749 148 E HN 0.428 nan 8.360 nan 0.000 0.450 149 I N -0.658 119.913 120.570 0.002 0.000 3.111 149 I HA -0.078 4.092 4.170 0.000 0.000 0.272 149 I C 1.761 177.881 176.117 0.004 0.000 1.268 149 I CA 0.413 61.716 61.300 0.004 0.000 1.467 149 I CB -0.485 37.518 38.000 0.004 0.000 1.087 149 I HN 0.125 nan 8.210 nan 0.000 0.467 150 L N 1.918 123.143 121.223 0.003 0.000 2.131 150 L HA -0.060 4.280 4.340 0.000 0.000 0.206 150 L C 2.694 179.566 176.870 0.003 0.000 1.087 150 L CA 2.283 57.124 54.840 0.003 0.000 0.767 150 L CB -0.935 41.126 42.059 0.002 0.000 0.917 150 L HN 0.479 nan 8.230 nan 0.000 0.441 151 T N -5.251 109.305 114.554 0.003 0.000 3.107 151 T HA 0.036 4.386 4.350 0.000 0.000 0.249 151 T C 1.655 176.357 174.700 0.004 0.000 1.096 151 T CA 0.035 62.136 62.100 0.003 0.000 1.012 151 T CB 0.045 68.914 68.868 0.001 0.000 0.977 151 T HN 0.183 nan 8.240 nan 0.000 0.527 152 K N 1.242 121.645 120.400 0.005 0.000 2.005 152 K HA 0.184 4.504 4.320 0.000 0.000 0.206 152 K C 2.084 178.690 176.600 0.010 0.000 1.044 152 K CA 1.082 57.374 56.287 0.008 0.000 0.942 152 K CB -0.192 32.313 32.500 0.008 0.000 0.727 152 K HN 0.259 nan 8.250 nan 0.000 0.439 153 I N 1.528 122.103 120.570 0.009 0.000 2.423 153 I HA -0.231 3.939 4.170 0.000 0.000 0.254 153 I C 2.405 178.527 176.117 0.009 0.000 1.151 153 I CA 1.169 62.475 61.300 0.009 0.000 1.421 153 I CB -0.906 37.098 38.000 0.008 0.000 1.079 153 I HN 0.147 nan 8.210 nan 0.000 0.431 154 A N 1.538 124.363 122.820 0.007 0.000 1.970 154 A HA -0.147 4.173 4.320 0.000 0.000 0.216 154 A C 2.421 180.010 177.584 0.009 0.000 1.170 154 A CA 1.169 53.211 52.037 0.007 0.000 0.645 154 A CB -0.435 18.568 19.000 0.005 0.000 0.816 154 A HN 0.548 nan 8.150 nan 0.000 0.447 155 M N -2.071 117.535 119.600 0.010 0.000 2.254 155 M HA -0.004 4.476 4.480 0.000 0.000 0.265 155 M C 1.352 177.663 176.300 0.019 0.000 1.066 155 M CA 2.245 57.553 55.300 0.013 0.000 1.123 155 M CB -0.640 31.966 32.600 0.010 0.000 1.388 155 M HN 0.045 nan 8.290 nan 0.000 0.425 156 T N 0.331 114.896 114.554 0.019 0.000 3.129 156 T HA 0.123 4.473 4.350 0.000 0.000 0.251 156 T C 1.725 176.437 174.700 0.020 0.000 1.117 156 T CA 0.689 62.803 62.100 0.023 0.000 1.034 156 T CB -0.013 68.869 68.868 0.023 0.000 0.968 156 T HN 0.487 nan 8.240 nan 0.000 0.526 157 S N 1.721 117.430 115.700 0.016 0.000 2.335 157 S HA 0.037 4.507 4.470 0.000 0.000 0.217 157 S C 1.392 176.002 174.600 0.016 0.000 1.032 157 S CA 0.621 58.829 58.200 0.014 0.000 0.985 157 S CB -0.217 62.989 63.200 0.010 0.000 0.896 157 S HN 0.561 nan 8.310 nan 0.000 0.445 158 I N 2.739 123.319 120.570 0.017 0.000 3.346 158 I HA 0.007 4.177 4.170 0.000 0.000 0.332 158 I C 0.665 176.799 176.117 0.027 0.000 1.093 158 I CA 0.099 61.411 61.300 0.020 0.000 1.218 158 I CB -1.577 36.433 38.000 0.017 0.000 0.987 158 I HN 0.182 nan 8.210 nan 0.000 0.602 159 T N -2.117 112.456 114.554 0.031 0.000 2.888 159 T HA 0.636 4.986 4.350 0.000 0.000 0.284 159 T C 0.943 175.667 174.700 0.039 0.000 1.017 159 T CA -0.070 62.054 62.100 0.041 0.000 1.022 159 T CB 1.906 70.800 68.868 0.044 0.000 1.013 159 T HN 0.514 nan 8.240 nan 0.000 0.465 160 G N 2.155 110.984 108.800 0.048 0.000 2.162 160 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 160 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 160 G C -0.113 174.808 174.900 0.035 0.000 0.976 160 G CA 0.793 45.916 45.100 0.038 0.000 0.655 160 G HN 1.110 nan 8.290 nan 0.000 0.533 161 K N -1.545 118.878 120.400 0.038 0.000 2.312 161 K HA 0.774 5.094 4.320 0.000 0.000 0.236 161 K C 1.370 177.991 176.600 0.036 0.000 1.079 161 K CA -0.271 56.037 56.287 0.034 0.000 0.900 161 K CB 0.363 32.883 32.500 0.032 0.000 1.297 161 K HN 0.397 nan 8.250 nan 0.000 0.498 162 G N -0.936 107.885 108.800 0.035 0.000 2.920 162 G HA2 0.238 4.198 3.960 0.000 0.000 0.208 162 G HA3 0.238 4.198 3.960 0.000 0.000 0.208 162 G C 0.372 175.290 174.900 0.030 0.000 1.159 162 G CA 0.252 45.370 45.100 0.030 0.000 0.784 162 G HN 0.621 nan 8.290 nan 0.000 0.535 163 A N -0.204 122.635 122.820 0.031 0.000 2.573 163 A HA 0.422 4.742 4.320 0.000 0.000 0.269 163 A C 1.084 178.683 177.584 0.025 0.000 0.901 163 A CA 0.025 52.077 52.037 0.026 0.000 1.066 163 A CB -0.017 18.998 19.000 0.025 0.000 1.221 163 A HN 0.214 nan 8.150 nan 0.000 0.483 164 E N 0.332 120.551 120.200 0.031 0.000 2.393 164 E HA -0.243 4.107 4.350 0.000 0.000 0.201 164 E C 1.300 177.911 176.600 0.019 0.000 1.025 164 E CA 1.009 57.428 56.400 0.032 0.000 0.856 164 E CB 0.139 29.870 29.700 0.052 0.000 0.771 164 E HN 0.370 nan 8.360 nan 0.000 0.526 165 K N 0.136 120.546 120.400 0.016 0.000 2.044 165 K HA 0.064 4.384 4.320 0.000 0.000 0.204 165 K C 1.233 177.833 176.600 -0.001 0.000 1.049 165 K CA 1.138 57.426 56.287 0.002 0.000 0.945 165 K CB -0.255 32.247 32.500 0.004 0.000 0.724 165 K HN 0.066 nan 8.250 nan 0.000 0.440 166 A N 1.802 124.625 122.820 0.005 0.000 2.648 166 A HA 0.041 4.361 4.320 0.000 0.000 0.269 166 A C 1.230 178.817 177.584 0.006 0.000 1.392 166 A CA 0.003 52.043 52.037 0.005 0.000 1.019 166 A CB -0.715 18.290 19.000 0.008 0.000 1.009 166 A HN 0.369 nan 8.150 nan 0.000 0.565 167 K N -0.139 120.263 120.400 0.004 0.000 2.097 167 K HA -0.125 4.195 4.320 0.000 0.000 0.205 167 K C 1.592 178.193 176.600 0.002 0.000 1.050 167 K CA 1.428 57.718 56.287 0.005 0.000 0.938 167 K CB -0.136 32.368 32.500 0.005 0.000 0.718 167 K HN 0.487 nan 8.250 nan 0.000 0.442 168 E N 1.160 121.358 120.200 -0.003 0.000 2.107 168 E HA -0.185 4.165 4.350 0.000 0.000 0.191 168 E C 1.812 178.411 176.600 -0.001 0.000 0.982 168 E CA 1.006 57.404 56.400 -0.004 0.000 0.809 168 E CB 0.175 29.869 29.700 -0.009 0.000 0.756 168 E HN 0.221 nan 8.360 nan 0.000 0.459 169 K N 0.356 120.756 120.400 0.001 0.000 2.137 169 K HA 0.068 4.388 4.320 0.000 0.000 0.202 169 K C 2.068 178.671 176.600 0.005 0.000 1.052 169 K CA 0.495 56.784 56.287 0.003 0.000 0.961 169 K CB -0.019 32.483 32.500 0.003 0.000 0.741 169 K HN 0.122 nan 8.250 nan 0.000 0.452 170 L N -0.099 121.127 121.223 0.006 0.000 2.275 170 L HA -0.039 4.301 4.340 0.000 0.000 0.215 170 L C 1.969 178.842 176.870 0.005 0.000 1.119 170 L CA 1.071 55.915 54.840 0.006 0.000 0.790 170 L CB -0.361 41.703 42.059 0.008 0.000 0.919 170 L HN 0.219 nan 8.230 nan 0.000 0.443 171 A N -0.910 121.912 122.820 0.004 0.000 2.147 171 A HA -0.085 4.235 4.320 0.000 0.000 0.211 171 A C 2.142 179.727 177.584 0.003 0.000 1.160 171 A CA 0.516 52.555 52.037 0.004 0.000 0.781 171 A CB 0.013 19.015 19.000 0.004 0.000 0.842 171 A HN 0.370 nan 8.150 nan 0.000 0.475 172 E N 0.154 120.355 120.200 0.003 0.000 2.251 172 E HA 0.002 4.352 4.350 0.000 0.000 0.194 172 E C 1.883 178.485 176.600 0.003 0.000 0.964 172 E CA 0.673 57.075 56.400 0.002 0.000 0.868 172 E CB -0.120 29.581 29.700 0.002 0.000 0.828 172 E HN 0.722 nan 8.360 nan 0.000 0.481 173 I N 0.357 120.930 120.570 0.004 0.000 2.454 173 I HA -0.177 3.993 4.170 0.000 0.000 0.254 173 I C 2.300 178.418 176.117 0.002 0.000 1.156 173 I CA 0.883 62.185 61.300 0.005 0.000 1.433 173 I CB -0.667 37.338 38.000 0.008 0.000 1.082 173 I HN 0.130 nan 8.210 nan 0.000 0.432 174 I N 0.228 120.798 120.570 0.001 0.000 2.094 174 I HA -0.125 4.045 4.170 0.000 0.000 0.234 174 I C 2.512 178.628 176.117 -0.002 0.000 1.063 174 I CA 1.393 62.693 61.300 -0.001 0.000 1.328 174 I CB -1.196 36.804 38.000 -0.000 0.000 1.058 174 I HN 0.052 nan 8.210 nan 0.000 0.400 175 V N 1.725 121.639 119.914 -0.000 0.000 2.250 175 V HA -0.341 3.779 4.120 0.000 0.000 0.253 175 V C 2.681 178.775 176.094 -0.001 0.000 1.065 175 V CA 2.641 64.941 62.300 -0.000 0.000 1.039 175 V CB -1.113 30.710 31.823 0.001 0.000 0.647 175 V HN 0.508 nan 8.190 nan 0.000 0.446 176 E N -0.430 119.770 120.200 0.000 0.000 2.274 176 E HA -0.079 4.271 4.350 0.000 0.000 0.194 176 E C 2.184 178.783 176.600 -0.002 0.000 0.996 176 E CA 1.006 57.407 56.400 0.001 0.000 0.840 176 E CB -0.170 29.532 29.700 0.003 0.000 0.772 176 E HN 0.654 nan 8.360 nan 0.000 0.491 177 A N 0.560 123.378 122.820 -0.004 0.000 2.030 177 A HA -0.017 4.303 4.320 0.000 0.000 0.215 177 A C 2.196 179.773 177.584 -0.012 0.000 1.164 177 A CA 0.483 52.515 52.037 -0.008 0.000 0.697 177 A CB 0.226 19.221 19.000 -0.008 0.000 0.827 177 A HN 0.102 nan 8.150 nan 0.000 0.457 178 V N -1.292 118.616 119.914 -0.009 0.000 3.471 178 V HA 0.048 4.168 4.120 0.000 0.000 0.258 178 V C 2.074 178.163 176.094 -0.008 0.000 1.192 178 V CA 1.364 63.657 62.300 -0.010 0.000 1.116 178 V CB 0.157 31.975 31.823 -0.008 0.000 0.792 178 V HN 0.424 nan 8.190 nan 0.000 0.459 179 S N -0.079 115.618 115.700 -0.005 0.000 2.603 179 S HA 0.255 4.725 4.470 0.000 0.000 0.220 179 S C 1.835 176.433 174.600 -0.004 0.000 0.967 179 S CA 0.921 59.119 58.200 -0.003 0.000 0.920 179 S CB 0.119 63.319 63.200 -0.000 0.000 0.773 179 S HN 0.642 nan 8.310 nan 0.000 0.529 180 A N 0.444 123.259 122.820 -0.008 0.000 1.944 180 A HA 0.234 4.554 4.320 0.000 0.000 0.207 180 A C 2.101 179.672 177.584 -0.022 0.000 1.265 180 A CA 0.811 52.842 52.037 -0.010 0.000 0.712 180 A CB -1.140 17.855 19.000 -0.008 0.000 0.915 180 A HN 0.765 nan 8.150 nan 0.000 0.470 181 V N -0.354 119.541 119.914 -0.030 0.000 2.408 181 V HA -0.305 3.815 4.120 0.000 0.000 0.236 181 V C 1.409 177.486 176.094 -0.029 0.000 1.064 181 V CA 2.513 64.792 62.300 -0.035 0.000 1.095 181 V CB -1.703 30.100 31.823 -0.034 0.000 0.921 181 V HN 0.742 nan 8.190 nan 0.000 0.474 182 V N 3.123 123.027 119.914 -0.017 0.000 2.546 182 V HA 0.581 4.701 4.120 0.000 0.000 0.284 182 V C -0.326 175.766 176.094 -0.004 0.000 1.050 182 V CA 0.130 62.424 62.300 -0.010 0.000 0.981 182 V CB 0.877 32.697 31.823 -0.006 0.000 0.990 182 V HN 1.080 nan 8.190 nan 0.000 0.474 183 D N 3.272 123.671 120.400 -0.002 0.000 2.481 183 D HA 0.398 5.038 4.640 0.000 0.000 0.244 183 D C -0.230 176.074 176.300 0.006 0.000 1.057 183 D CA -0.596 53.408 54.000 0.007 0.000 0.848 183 D CB 1.369 42.176 40.800 0.012 0.000 1.388 183 D HN 0.583 nan 8.370 nan 0.000 0.475 184 D N 0.873 121.279 120.400 0.009 0.000 2.697 184 D HA -0.254 4.386 4.640 0.000 0.000 0.235 184 D C -0.608 175.695 176.300 0.005 0.000 1.167 184 D CA 0.861 54.865 54.000 0.007 0.000 0.656 184 D CB -0.772 40.033 40.800 0.008 0.000 1.025 184 D HN 0.628 nan 8.370 nan 0.000 0.419 185 E N -0.249 119.953 120.200 0.004 0.000 1.063 185 E HA -0.102 4.248 4.350 0.000 0.000 0.360 185 E C 0.927 177.529 176.600 0.002 0.000 0.586 185 E CA 1.491 57.893 56.400 0.003 0.000 1.360 185 E CB -0.755 28.947 29.700 0.003 0.000 0.352 185 E HN 0.885 nan 8.360 nan 0.000 0.374 186 G N 2.814 111.614 108.800 0.001 0.000 2.192 186 G HA2 -0.077 3.883 3.960 0.000 0.000 0.152 186 G HA3 -0.077 3.883 3.960 0.000 0.000 0.152 186 G C -0.460 174.441 174.900 0.000 0.000 1.057 186 G CA -0.060 45.040 45.100 0.001 0.000 0.748 186 G HN 0.547 nan 8.290 nan 0.000 0.488 187 K N -0.851 119.549 120.400 -0.001 0.000 2.712 187 K HA 0.527 4.847 4.320 0.000 0.000 0.274 187 K C -0.197 176.401 176.600 -0.004 0.000 1.025 187 K CA 0.036 56.321 56.287 -0.002 0.000 0.904 187 K CB 1.167 33.666 32.500 -0.001 0.000 1.392 187 K HN 0.738 nan 8.250 nan 0.000 0.392 188 V N -0.115 119.796 119.914 -0.005 0.000 3.047 188 V HA 0.300 4.420 4.120 0.000 0.000 0.374 188 V C -0.477 175.612 176.094 -0.009 0.000 1.399 188 V CA -0.809 61.487 62.300 -0.007 0.000 1.251 188 V CB 0.641 32.460 31.823 -0.007 0.000 1.228 188 V HN 0.703 nan 8.190 nan 0.000 0.589 189 D N 3.096 123.489 120.400 -0.012 0.000 2.662 189 D HA 0.022 4.662 4.640 0.000 0.000 0.237 189 D C 1.397 177.686 176.300 -0.017 0.000 1.154 189 D CA 0.467 54.458 54.000 -0.015 0.000 0.861 189 D CB 1.144 41.933 40.800 -0.019 0.000 1.146 189 D HN 0.362 nan 8.370 nan 0.000 0.518 190 K N 2.280 122.671 120.400 -0.016 0.000 2.025 190 K HA -0.152 4.168 4.320 0.000 0.000 0.207 190 K C 1.056 177.643 176.600 -0.022 0.000 1.049 190 K CA 0.893 57.170 56.287 -0.017 0.000 0.933 190 K CB 0.095 32.587 32.500 -0.014 0.000 0.714 190 K HN 0.267 nan 8.250 nan 0.000 0.438 191 D N 0.077 120.463 120.400 -0.024 0.000 2.350 191 D HA 0.021 4.661 4.640 0.000 0.000 0.213 191 D C 0.513 176.792 176.300 -0.034 0.000 1.031 191 D CA 0.164 54.148 54.000 -0.028 0.000 0.861 191 D CB 0.300 41.085 40.800 -0.025 0.000 0.926 191 D HN -0.064 nan 8.370 nan 0.000 0.520 192 L N 0.525 121.726 121.223 -0.037 0.000 2.741 192 L HA 0.325 4.665 4.340 0.000 0.000 0.237 192 L C 0.005 176.849 176.870 -0.043 0.000 1.178 192 L CA 0.038 54.850 54.840 -0.046 0.000 0.973 192 L CB 0.005 42.032 42.059 -0.054 0.000 1.255 192 L HN 0.029 nan 8.230 nan 0.000 0.498 193 I N 0.489 121.038 120.570 -0.036 0.000 2.310 193 I HA 0.181 4.351 4.170 0.000 0.000 0.287 193 I C 0.616 176.710 176.117 -0.037 0.000 1.073 193 I CA -0.411 60.868 61.300 -0.035 0.000 1.216 193 I CB 0.686 38.670 38.000 -0.027 0.000 1.415 193 I HN 0.130 nan 8.210 nan 0.000 0.480 194 K N 7.776 128.148 120.400 -0.046 0.000 2.168 194 K HA 0.421 4.741 4.320 0.000 0.000 0.258 194 K C -0.309 176.263 176.600 -0.046 0.000 1.010 194 K CA -0.373 55.884 56.287 -0.050 0.000 0.929 194 K CB 1.155 33.616 32.500 -0.065 0.000 0.998 194 K HN 0.696 nan 8.250 nan 0.000 0.479 195 I N 1.040 121.582 120.570 -0.046 0.000 2.537 195 I HA 0.340 4.510 4.170 0.000 0.000 0.276 195 I C -1.142 174.946 176.117 -0.047 0.000 1.063 195 I CA -0.812 60.464 61.300 -0.039 0.000 1.144 195 I CB 1.158 39.140 38.000 -0.031 0.000 1.252 195 I HN 0.520 nan 8.210 nan 0.000 0.480 196 E N 5.870 126.037 120.200 -0.055 0.000 2.134 196 E HA 0.423 4.773 4.350 0.000 0.000 0.278 196 E C -1.093 175.478 176.600 -0.049 0.000 0.959 196 E CA -0.466 55.894 56.400 -0.067 0.000 0.783 196 E CB 1.325 30.960 29.700 -0.110 0.000 1.095 196 E HN 0.582 nan 8.360 nan 0.000 0.399 197 K N 3.929 124.305 120.400 -0.040 0.000 2.211 197 K HA 0.546 4.866 4.320 0.000 0.000 0.275 197 K C -0.344 176.247 176.600 -0.015 0.000 1.024 197 K CA -0.970 55.305 56.287 -0.021 0.000 0.887 197 K CB 1.263 33.750 32.500 -0.022 0.000 1.084 197 K HN 0.140 nan 8.250 nan 0.000 0.463 198 K N 0.759 121.160 120.400 0.001 0.000 2.480 198 K HA 0.450 4.770 4.320 0.000 0.000 0.258 198 K C -1.022 175.594 176.600 0.025 0.000 0.990 198 K CA -0.847 55.449 56.287 0.015 0.000 0.857 198 K CB 2.272 34.790 32.500 0.030 0.000 1.384 198 K HN 0.664 nan 8.250 nan 0.000 0.446 199 S N -0.197 115.521 115.700 0.030 0.000 2.437 199 S HA 0.822 5.292 4.470 0.000 0.000 0.305 199 S C -0.074 174.546 174.600 0.033 0.000 1.109 199 S CA -0.568 57.649 58.200 0.029 0.000 1.099 199 S CB 1.259 64.474 63.200 0.026 0.000 1.004 199 S HN 0.848 nan 8.310 nan 0.000 0.475 200 G N 0.880 109.698 108.800 0.029 0.000 3.014 200 G HA2 0.512 4.472 3.960 0.000 0.000 0.683 200 G HA3 0.512 4.472 3.960 0.000 0.000 0.683 200 G C -0.326 174.590 174.900 0.028 0.000 1.271 200 G CA -0.378 44.738 45.100 0.028 0.000 0.843 200 G HN 1.952 nan 8.290 nan 0.000 0.612 201 A N 0.049 122.882 122.820 0.022 0.000 5.207 201 A HA 0.657 4.977 4.320 0.000 0.000 0.198 201 A C 0.608 178.201 177.584 0.016 0.000 2.558 201 A CA 1.110 53.159 52.037 0.019 0.000 0.709 201 A CB -1.271 17.739 19.000 0.018 0.000 0.662 201 A HN 2.579 nan 8.150 nan 0.000 0.297 202 S N -2.206 113.503 115.700 0.015 0.000 2.998 202 S HA 0.748 5.218 4.470 0.000 0.000 0.307 202 S C 0.620 175.228 174.600 0.014 0.000 1.063 202 S CA 0.225 58.433 58.200 0.013 0.000 0.895 202 S CB 1.163 64.368 63.200 0.009 0.000 1.362 202 S HN 1.388 nan 8.310 nan 0.000 0.657 203 I N 0.939 121.516 120.570 0.012 0.000 3.749 203 I HA 0.167 4.337 4.170 0.000 0.000 0.314 203 I C -0.506 175.617 176.117 0.009 0.000 1.278 203 I CA 0.699 62.006 61.300 0.011 0.000 1.158 203 I CB -0.444 37.561 38.000 0.008 0.000 1.018 203 I HN 0.522 nan 8.210 nan 0.000 0.435 204 D N -1.745 118.661 120.400 0.010 0.000 2.181 204 D HA -0.082 4.558 4.640 0.000 0.000 0.282 204 D C 0.889 177.195 176.300 0.011 0.000 1.244 204 D CA -0.075 53.930 54.000 0.008 0.000 1.190 204 D CB -0.377 40.425 40.800 0.004 0.000 1.845 204 D HN 0.111 nan 8.370 nan 0.000 0.485 205 D N 2.531 122.939 120.400 0.013 0.000 2.610 205 D HA -0.070 4.570 4.640 0.000 0.000 0.261 205 D C -0.416 175.898 176.300 0.023 0.000 1.334 205 D CA 0.444 54.455 54.000 0.017 0.000 0.994 205 D CB -0.921 39.888 40.800 0.015 0.000 1.061 205 D HN 0.211 nan 8.370 nan 0.000 0.472 206 T N -1.590 112.977 114.554 0.023 0.000 2.756 206 T HA 0.408 4.758 4.350 0.000 0.000 0.290 206 T C 0.024 174.739 174.700 0.026 0.000 0.985 206 T CA -1.059 61.057 62.100 0.026 0.000 0.955 206 T CB 1.485 70.365 68.868 0.019 0.000 0.930 206 T HN 0.373 nan 8.240 nan 0.000 0.451 207 E N 2.948 123.169 120.200 0.035 0.000 2.232 207 E HA 0.552 4.902 4.350 0.000 0.000 0.264 207 E C -1.171 175.450 176.600 0.035 0.000 0.973 207 E CA -1.302 55.119 56.400 0.035 0.000 0.849 207 E CB 1.489 31.215 29.700 0.044 0.000 1.198 207 E HN 0.467 nan 8.360 nan 0.000 0.407 208 L N 3.145 124.386 121.223 0.029 0.000 2.321 208 L HA 0.298 4.638 4.340 0.000 0.000 0.272 208 L C -0.351 176.538 176.870 0.033 0.000 1.050 208 L CA -0.656 54.199 54.840 0.024 0.000 0.893 208 L CB 0.400 42.468 42.059 0.014 0.000 1.272 208 L HN 0.561 nan 8.230 nan 0.000 0.435 209 I N 0.878 121.478 120.570 0.049 0.000 2.494 209 I HA 0.133 4.303 4.170 0.000 0.000 0.289 209 I C 0.983 177.122 176.117 0.037 0.000 1.106 209 I CA -0.371 60.967 61.300 0.063 0.000 1.369 209 I CB 0.382 38.447 38.000 0.110 0.000 1.410 209 I HN 0.533 nan 8.210 nan 0.000 0.523 210 K N 5.352 125.771 120.400 0.032 0.000 2.184 210 K HA -0.096 4.224 4.320 0.000 0.000 0.210 210 K C 0.927 177.532 176.600 0.009 0.000 1.048 210 K CA 1.639 57.938 56.287 0.020 0.000 0.931 210 K CB -0.548 31.960 32.500 0.013 0.000 0.718 210 K HN 1.146 nan 8.250 nan 0.000 0.465 211 G N -0.926 107.883 108.800 0.015 0.000 3.355 211 G HA2 -0.011 3.949 3.960 0.000 0.000 0.686 211 G HA3 -0.011 3.949 3.960 0.000 0.000 0.686 211 G C -1.152 173.729 174.900 -0.030 0.000 1.097 211 G CA -0.685 44.419 45.100 0.006 0.000 0.881 211 G HN 0.077 nan 8.290 nan 0.000 0.550 212 V N 3.861 123.747 119.914 -0.047 0.000 2.711 212 V HA 0.630 4.750 4.120 0.000 0.000 0.304 212 V C 0.076 176.079 176.094 -0.151 0.000 1.097 212 V CA -0.751 61.484 62.300 -0.107 0.000 0.906 212 V CB 1.984 33.721 31.823 -0.143 0.000 1.015 212 V HN 0.934 nan 8.190 nan 0.000 0.427 213 L N 6.841 127.949 121.223 -0.192 0.000 2.301 213 L HA 0.617 4.957 4.340 0.000 0.000 0.278 213 L C 0.184 176.896 176.870 -0.263 0.000 1.022 213 L CA -0.445 54.209 54.840 -0.310 0.000 0.854 213 L CB 1.387 43.183 42.059 -0.437 0.000 1.226 213 L HN 0.684 nan 8.230 nan 0.000 0.429 214 V N 1.117 120.886 119.914 -0.241 0.000 3.653 214 V HA 0.360 4.480 4.120 0.000 0.000 0.282 214 V C 0.204 176.225 176.094 -0.121 0.000 0.993 214 V CA -0.020 62.173 62.300 -0.178 0.000 0.986 214 V CB 1.275 32.970 31.823 -0.214 0.000 1.249 214 V HN 0.694 nan 8.190 nan 0.000 0.423 215 D N -1.100 119.260 120.400 -0.067 0.000 2.433 215 D HA 0.337 4.977 4.640 0.000 0.000 0.211 215 D C -0.394 175.904 176.300 -0.004 0.000 1.114 215 D CA 0.236 54.210 54.000 -0.045 0.000 0.837 215 D CB 0.199 40.961 40.800 -0.064 0.000 0.984 215 D HN 0.501 nan 8.370 nan 0.000 0.505 216 K N 0.684 121.103 120.400 0.031 0.000 2.588 216 K HA 0.206 4.526 4.320 0.000 0.000 0.250 216 K C -1.181 175.476 176.600 0.094 0.000 0.972 216 K CA -0.563 55.760 56.287 0.059 0.000 0.821 216 K CB 1.329 33.872 32.500 0.072 0.000 1.249 216 K HN -0.033 nan 8.250 nan 0.000 0.442 217 E N 2.887 123.130 120.200 0.071 0.000 2.481 217 E HA -0.013 4.337 4.350 0.000 0.000 0.263 217 E C -0.560 176.073 176.600 0.054 0.000 0.992 217 E CA -0.079 56.360 56.400 0.065 0.000 0.938 217 E CB 0.239 29.971 29.700 0.054 0.000 0.933 217 E HN 0.270 nan 8.360 nan 0.000 0.453 218 R N 2.511 123.034 120.500 0.040 0.000 4.478 218 R HA -0.144 4.196 4.340 0.000 0.000 0.228 218 R C 0.952 177.260 176.300 0.014 0.000 0.457 218 R CA -0.069 56.038 56.100 0.012 0.000 0.951 218 R CB -0.752 29.551 30.300 0.005 0.000 0.917 218 R HN 0.546 nan 8.270 nan 0.000 0.295 219 V N 2.463 122.385 119.914 0.013 0.000 2.218 219 V HA -0.266 3.854 4.120 0.000 0.000 0.251 219 V C 1.316 177.416 176.094 0.011 0.000 1.057 219 V CA 2.582 64.890 62.300 0.013 0.000 1.022 219 V CB -0.043 31.789 31.823 0.015 0.000 0.645 219 V HN 0.804 nan 8.190 nan 0.000 0.451 220 S N -0.298 115.405 115.700 0.006 0.000 2.701 220 S HA 0.430 4.900 4.470 0.000 0.000 0.317 220 S C 1.236 175.836 174.600 -0.000 0.000 1.149 220 S CA 0.058 58.264 58.200 0.009 0.000 1.052 220 S CB 0.647 63.848 63.200 0.002 0.000 1.257 220 S HN 0.813 nan 8.310 nan 0.000 0.532 221 A N 4.636 127.462 122.820 0.010 0.000 2.117 221 A HA -0.194 4.126 4.320 0.000 0.000 0.224 221 A C 2.166 179.749 177.584 -0.002 0.000 1.167 221 A CA 1.619 53.661 52.037 0.009 0.000 0.664 221 A CB -0.480 18.530 19.000 0.016 0.000 0.811 221 A HN 0.824 nan 8.150 nan 0.000 0.470 222 Q N -1.088 118.702 119.800 -0.015 0.000 2.488 222 Q HA 0.056 4.396 4.340 0.000 0.000 0.211 222 Q C 0.184 176.154 176.000 -0.050 0.000 0.967 222 Q CA 0.434 56.207 55.803 -0.050 0.000 0.926 222 Q CB -0.202 28.461 28.738 -0.124 0.000 0.992 222 Q HN 0.767 nan 8.270 nan 0.000 0.506 223 M N 2.289 121.866 119.600 -0.039 0.000 2.143 223 M HA 0.167 4.647 4.480 0.000 0.000 0.348 223 M C -2.121 174.159 176.300 -0.034 0.000 1.375 223 M CA -1.427 53.847 55.300 -0.043 0.000 1.124 223 M CB 0.603 33.175 32.600 -0.047 0.000 1.669 223 M HN -0.227 nan 8.290 nan 0.000 0.469 224 P HA -0.218 nan 4.420 nan 0.000 0.054 224 P C -0.768 176.521 177.300 -0.018 0.000 0.727 224 P CA 0.658 63.742 63.100 -0.025 0.000 1.037 224 P CB -0.273 31.414 31.700 -0.022 0.000 1.829 225 K N 3.297 123.691 120.400 -0.009 0.000 3.000 225 K HA 0.195 4.515 4.320 0.000 0.000 0.265 225 K C 0.356 176.957 176.600 0.002 0.000 1.260 225 K CA 0.211 56.498 56.287 -0.000 0.000 1.209 225 K CB -0.533 31.967 32.500 0.001 0.000 1.484 225 K HN 0.361 nan 8.250 nan 0.000 0.283 226 K N -1.136 119.267 120.400 0.004 0.000 8.681 226 K HA -0.047 4.273 4.320 0.000 0.000 1.082 226 K C -1.747 174.854 176.600 0.002 0.000 1.283 226 K CA -0.217 56.073 56.287 0.006 0.000 0.887 226 K CB -0.187 32.313 32.500 0.001 0.000 2.061 226 K HN -0.036 nan 8.250 nan 0.000 0.389 227 V N 2.520 122.439 119.914 0.008 0.000 2.777 227 V HA 0.292 4.412 4.120 0.000 0.000 0.306 227 V C 1.147 177.248 176.094 0.013 0.000 1.112 227 V CA -0.327 61.976 62.300 0.004 0.000 0.917 227 V CB 1.577 33.399 31.823 -0.002 0.000 1.018 227 V HN 1.041 nan 8.190 nan 0.000 0.426 228 T N 0.586 115.145 114.554 0.008 0.000 4.131 228 T HA -0.125 4.225 4.350 0.000 0.000 0.196 228 T C 0.434 175.143 174.700 0.016 0.000 1.241 228 T CA 0.906 63.012 62.100 0.011 0.000 1.712 228 T CB -0.103 68.768 68.868 0.005 0.000 1.008 228 T HN 0.669 nan 8.240 nan 0.000 0.318 229 D N 2.700 123.108 120.400 0.013 0.000 2.453 229 D HA 0.526 5.166 4.640 0.000 0.000 0.223 229 D C -0.496 175.814 176.300 0.017 0.000 1.183 229 D CA 0.061 54.071 54.000 0.017 0.000 0.933 229 D CB 0.382 41.191 40.800 0.014 0.000 1.038 229 D HN 0.608 nan 8.370 nan 0.000 0.513 230 A N 2.599 125.433 122.820 0.024 0.000 2.340 230 A HA 0.542 4.862 4.320 0.000 0.000 0.331 230 A C -0.256 177.346 177.584 0.031 0.000 1.140 230 A CA -0.796 51.254 52.037 0.022 0.000 0.801 230 A CB 1.171 20.189 19.000 0.029 0.000 1.234 230 A HN 0.173 nan 8.150 nan 0.000 0.469 231 K N 2.085 122.499 120.400 0.023 0.000 2.478 231 K HA 0.456 4.776 4.320 0.000 0.000 0.236 231 K C -0.957 175.662 176.600 0.033 0.000 1.021 231 K CA -0.194 56.111 56.287 0.029 0.000 1.010 231 K CB 0.405 32.916 32.500 0.018 0.000 1.331 231 K HN 0.539 nan 8.250 nan 0.000 0.470 232 I N 1.960 122.568 120.570 0.063 0.000 2.752 232 I HA 0.171 4.341 4.170 0.000 0.000 0.287 232 I C 0.507 176.676 176.117 0.087 0.000 1.188 232 I CA 0.132 61.491 61.300 0.097 0.000 1.427 232 I CB 0.513 38.642 38.000 0.214 0.000 1.365 232 I HN 0.579 nan 8.210 nan 0.000 0.585 233 A N 7.077 129.947 122.820 0.082 0.000 2.371 233 A HA 0.852 5.172 4.320 0.000 0.000 0.311 233 A C -0.816 176.843 177.584 0.124 0.000 1.068 233 A CA -0.739 51.346 52.037 0.080 0.000 0.744 233 A CB 0.888 19.911 19.000 0.039 0.000 1.239 233 A HN 0.620 nan 8.150 nan 0.000 0.435 234 L N 2.186 123.474 121.223 0.108 0.000 2.289 234 L HA 0.638 4.978 4.340 0.000 0.000 0.285 234 L C -0.509 176.404 176.870 0.070 0.000 1.049 234 L CA -0.648 54.257 54.840 0.108 0.000 0.804 234 L CB 1.162 43.274 42.059 0.088 0.000 1.195 234 L HN 0.547 nan 8.230 nan 0.000 0.428 235 L N 4.350 125.621 121.223 0.080 0.000 2.492 235 L HA 0.242 4.582 4.340 0.000 0.000 0.258 235 L C 0.233 177.132 176.870 0.048 0.000 1.028 235 L CA -0.060 54.813 54.840 0.054 0.000 0.900 235 L CB 1.268 43.357 42.059 0.050 0.000 1.191 235 L HN 0.828 nan 8.230 nan 0.000 0.459 236 N N 2.409 121.131 118.700 0.037 0.000 2.354 236 N HA -0.074 4.666 4.740 0.000 0.000 0.179 236 N C 0.432 175.958 175.510 0.027 0.000 1.021 236 N CA 0.595 53.663 53.050 0.030 0.000 0.887 236 N CB 0.137 38.637 38.487 0.022 0.000 0.974 236 N HN 0.544 nan 8.380 nan 0.000 0.437 237 C N 1.211 120.526 119.300 0.025 0.000 2.350 237 C HA 0.773 5.233 4.460 0.000 0.000 0.348 237 C C 0.476 175.479 174.990 0.022 0.000 1.260 237 C CA -0.706 58.324 59.018 0.020 0.000 1.966 237 C CB -0.906 26.843 27.740 0.016 0.000 2.380 237 C HN 0.623 nan 8.230 nan 0.000 0.535 238 A N 6.031 128.863 122.820 0.020 0.000 1.840 238 A HA -0.177 4.143 4.320 0.000 0.000 0.341 238 A C 0.821 178.417 177.584 0.020 0.000 0.784 238 A CA 0.699 52.748 52.037 0.020 0.000 1.538 238 A CB -0.715 18.294 19.000 0.016 0.000 0.619 238 A HN 1.066 nan 8.150 nan 0.000 0.209 239 I N 1.234 121.818 120.570 0.024 0.000 3.472 239 I HA -0.074 4.096 4.170 0.000 0.000 0.313 239 I C 1.231 177.365 176.117 0.028 0.000 1.173 239 I CA 0.812 62.128 61.300 0.026 0.000 1.198 239 I CB -0.495 37.522 38.000 0.029 0.000 0.992 239 I HN 0.806 nan 8.210 nan 0.000 0.538 240 E N 1.190 121.405 120.200 0.024 0.000 2.081 240 E HA 0.345 4.695 4.350 0.000 0.000 0.276 240 E C -0.657 175.956 176.600 0.020 0.000 0.950 240 E CA -0.537 55.877 56.400 0.023 0.000 0.776 240 E CB 1.287 30.999 29.700 0.020 0.000 1.094 240 E HN 0.040 nan 8.360 nan 0.000 0.402 241 E N 2.045 122.259 120.200 0.023 0.000 2.392 241 E HA 0.305 4.655 4.350 0.000 0.000 0.269 241 E C -1.054 175.560 176.600 0.022 0.000 0.924 241 E CA -1.173 55.238 56.400 0.019 0.000 0.784 241 E CB 2.041 31.752 29.700 0.018 0.000 1.292 241 E HN 0.487 nan 8.360 nan 0.000 0.447 242 T N 1.045 115.610 114.554 0.018 0.000 2.853 242 T HA 0.363 4.713 4.350 0.000 0.000 0.298 242 T C 0.043 174.757 174.700 0.024 0.000 0.978 242 T CA 0.126 62.237 62.100 0.019 0.000 1.152 242 T CB -0.084 68.793 68.868 0.014 0.000 0.914 242 T HN 0.505 nan 8.240 nan 0.000 0.539 243 A N 4.338 127.175 122.820 0.027 0.000 2.611 243 A HA 0.259 4.579 4.320 0.000 0.000 0.239 243 A C 1.420 179.028 177.584 0.041 0.000 0.995 243 A CA 1.072 53.130 52.037 0.035 0.000 0.813 243 A CB -0.557 18.459 19.000 0.027 0.000 0.880 243 A HN 1.386 nan 8.150 nan 0.000 0.481 244 S N -0.494 115.244 115.700 0.062 0.000 3.137 244 S HA -0.232 4.238 4.470 0.000 0.000 0.254 244 S C 1.569 176.212 174.600 0.071 0.000 1.416 244 S CA 1.777 60.020 58.200 0.071 0.000 3.161 244 S CB -1.959 61.302 63.200 0.102 0.000 0.521 244 S HN 1.493 nan 8.310 nan 0.000 0.472 245 E N 1.547 121.769 120.200 0.037 0.000 2.011 245 E HA 0.113 4.463 4.350 0.000 0.000 0.191 245 E C 2.140 178.737 176.600 -0.005 0.000 0.980 245 E CA 1.090 57.495 56.400 0.009 0.000 0.814 245 E CB -0.449 29.250 29.700 -0.002 0.000 0.775 245 E HN 0.695 nan 8.360 nan 0.000 0.454 246 M N 0.413 120.016 119.600 0.005 0.000 2.358 246 M HA -0.046 4.434 4.480 0.000 0.000 0.264 246 M C 2.301 178.604 176.300 0.005 0.000 1.064 246 M CA 0.670 55.970 55.300 0.000 0.000 1.093 246 M CB -0.067 32.535 32.600 0.004 0.000 1.401 246 M HN 0.256 nan 8.290 nan 0.000 0.440 247 L N 0.350 121.588 121.223 0.025 0.000 2.131 247 L HA -0.089 4.251 4.340 0.000 0.000 0.206 247 L C 2.245 179.137 176.870 0.036 0.000 1.087 247 L CA 1.780 56.647 54.840 0.046 0.000 0.767 247 L CB -0.375 41.727 42.059 0.073 0.000 0.917 247 L HN 0.121 nan 8.230 nan 0.000 0.441 248 K N -0.918 119.471 120.400 -0.018 0.000 2.186 248 K HA -0.119 4.201 4.320 0.000 0.000 0.202 248 K C 1.573 178.065 176.600 -0.180 0.000 1.052 248 K CA 1.058 57.219 56.287 -0.210 0.000 0.965 248 K CB 0.007 32.201 32.500 -0.510 0.000 0.746 248 K HN 0.243 nan 8.250 nan 0.000 0.457 249 D N 0.971 121.304 120.400 -0.112 0.000 2.190 249 D HA -0.202 4.438 4.640 0.000 0.000 0.200 249 D C 1.746 178.015 176.300 -0.053 0.000 0.992 249 D CA 1.440 55.393 54.000 -0.078 0.000 0.854 249 D CB -0.019 40.748 40.800 -0.055 0.000 0.936 249 D HN 0.334 nan 8.370 nan 0.000 0.462 250 M N -0.393 119.185 119.600 -0.037 0.000 2.077 250 M HA -0.115 4.365 4.480 0.000 0.000 0.261 250 M C 2.337 178.626 176.300 -0.018 0.000 1.070 250 M CA 0.892 56.181 55.300 -0.018 0.000 1.125 250 M CB -0.413 32.186 32.600 -0.001 0.000 1.339 250 M HN -0.122 nan 8.290 nan 0.000 0.409 251 V N 0.869 120.771 119.914 -0.021 0.000 2.287 251 V HA -0.236 3.884 4.120 0.000 0.000 0.248 251 V C 2.480 178.548 176.094 -0.042 0.000 1.053 251 V CA 2.013 64.303 62.300 -0.016 0.000 1.027 251 V CB -1.629 30.215 31.823 0.034 0.000 0.646 251 V HN 0.578 nan 8.190 nan 0.000 0.447 252 A N -1.124 121.648 122.820 -0.081 0.000 2.252 252 A HA -0.038 4.282 4.320 0.000 0.000 0.207 252 A C 2.129 179.684 177.584 -0.048 0.000 1.194 252 A CA 0.688 52.680 52.037 -0.075 0.000 0.809 252 A CB -0.371 18.561 19.000 -0.113 0.000 0.814 252 A HN 0.504 nan 8.150 nan 0.000 0.482 253 E N 0.187 120.365 120.200 -0.036 0.000 2.042 253 E HA -0.048 4.302 4.350 0.000 0.000 0.189 253 E C 1.717 178.308 176.600 -0.015 0.000 0.974 253 E CA 1.036 57.423 56.400 -0.023 0.000 0.806 253 E CB -0.134 29.554 29.700 -0.019 0.000 0.769 253 E HN 0.749 nan 8.360 nan 0.000 0.451 254 I N 0.814 121.377 120.570 -0.013 0.000 2.676 254 I HA -0.165 4.005 4.170 0.000 0.000 0.259 254 I C 2.404 178.514 176.117 -0.012 0.000 1.194 254 I CA 0.801 62.096 61.300 -0.009 0.000 1.473 254 I CB -0.096 37.899 38.000 -0.007 0.000 1.096 254 I HN -0.049 nan 8.210 nan 0.000 0.443 255 K N 1.906 122.297 120.400 -0.015 0.000 2.098 255 K HA 0.078 4.398 4.320 0.000 0.000 0.203 255 K C 2.226 178.818 176.600 -0.014 0.000 1.051 255 K CA 1.137 57.414 56.287 -0.015 0.000 0.957 255 K CB -0.121 32.370 32.500 -0.016 0.000 0.738 255 K HN 0.154 nan 8.250 nan 0.000 0.447 256 A N 0.711 123.521 122.820 -0.016 0.000 1.883 256 A HA -0.156 4.164 4.320 0.000 0.000 0.217 256 A C 2.113 179.692 177.584 -0.009 0.000 1.186 256 A CA 2.162 54.191 52.037 -0.013 0.000 0.624 256 A CB -0.908 18.083 19.000 -0.016 0.000 0.822 256 A HN 0.400 nan 8.150 nan 0.000 0.444 257 S N -1.287 114.409 115.700 -0.007 0.000 2.406 257 S HA 0.268 4.738 4.470 0.000 0.000 0.211 257 S C 1.387 175.986 174.600 -0.002 0.000 1.045 257 S CA 1.228 59.426 58.200 -0.003 0.000 1.058 257 S CB -0.490 62.710 63.200 -0.001 0.000 1.044 257 S HN 1.400 nan 8.310 nan 0.000 0.413 258 G N -0.268 108.531 108.800 -0.002 0.000 4.783 258 G HA2 0.439 4.399 3.960 0.000 0.000 0.225 258 G HA3 0.439 4.399 3.960 0.000 0.000 0.225 258 G C -0.494 174.405 174.900 -0.001 0.000 1.572 258 G CA -0.066 45.033 45.100 -0.001 0.000 1.037 258 G HN 0.629 nan 8.290 nan 0.000 0.487 259 A N 1.373 124.189 122.820 -0.006 0.000 2.444 259 A HA 0.549 4.870 4.320 0.000 0.000 0.332 259 A C 1.254 178.825 177.584 -0.022 0.000 1.430 259 A CA -0.065 51.965 52.037 -0.011 0.000 0.975 259 A CB 0.200 19.192 19.000 -0.013 0.000 1.147 259 A HN 0.482 nan 8.150 nan 0.000 0.524 260 N N 2.072 120.757 118.700 -0.024 0.000 2.459 260 N HA -0.040 4.700 4.740 0.000 0.000 0.181 260 N C -0.208 175.265 175.510 -0.062 0.000 1.046 260 N CA 1.181 54.210 53.050 -0.034 0.000 0.904 260 N CB 0.025 38.497 38.487 -0.025 0.000 0.964 260 N HN 0.288 nan 8.380 nan 0.000 0.444 261 V N 0.102 119.967 119.914 -0.082 0.000 2.969 261 V HA 0.556 4.676 4.120 0.000 0.000 0.304 261 V C -1.251 174.735 176.094 -0.180 0.000 1.192 261 V CA -0.986 61.212 62.300 -0.170 0.000 0.962 261 V CB 2.250 34.002 31.823 -0.119 0.000 1.045 261 V HN 0.176 nan 8.190 nan 0.000 0.428 262 L N 3.673 124.680 121.223 -0.361 0.000 2.592 262 L HA 0.687 5.027 4.340 0.000 0.000 0.258 262 L C -2.204 174.465 176.870 -0.335 0.000 0.926 262 L CA -0.151 54.569 54.840 -0.201 0.000 0.885 262 L CB 2.056 44.051 42.059 -0.107 0.000 1.380 262 L HN 0.575 nan 8.230 nan 0.000 0.415 263 F N 3.847 123.803 119.950 0.011 0.000 2.460 263 F HA 0.521 5.048 4.527 0.000 0.000 0.341 263 F C -0.035 175.769 175.800 0.007 0.000 1.130 263 F CA -0.788 57.216 58.000 0.008 0.000 0.962 263 F CB 1.554 40.557 39.000 0.005 0.000 1.171 263 F HN 0.512 nan 8.300 nan 0.000 0.436 264 C N 2.220 121.619 119.300 0.165 0.000 2.301 264 C HA 0.407 4.867 4.460 0.000 0.000 0.323 264 C C 1.431 176.469 174.990 0.079 0.000 1.265 264 C CA -0.778 58.297 59.018 0.096 0.000 1.503 264 C CB 0.735 28.510 27.740 0.059 0.000 2.195 264 C HN 1.086 nan 8.230 nan 0.000 0.477 265 Q N 2.525 122.361 119.800 0.060 0.000 2.112 265 Q HA -0.153 4.187 4.340 0.000 0.000 0.206 265 Q C 0.600 176.620 176.000 0.033 0.000 0.987 265 Q CA 1.454 57.281 55.803 0.040 0.000 0.858 265 Q CB 0.132 28.886 28.738 0.026 0.000 0.905 265 Q HN 0.734 nan 8.270 nan 0.000 0.420 266 K N 1.185 121.605 120.400 0.033 0.000 2.143 266 K HA 0.300 4.620 4.320 0.000 0.000 0.272 266 K C 0.315 176.934 176.600 0.031 0.000 1.001 266 K CA 0.432 56.736 56.287 0.027 0.000 0.915 266 K CB 0.952 33.466 32.500 0.024 0.000 1.047 266 K HN 0.415 nan 8.250 nan 0.000 0.458 267 G N 2.222 111.038 108.800 0.027 0.000 3.146 267 G HA2 -0.196 3.764 3.960 0.000 0.000 0.962 267 G HA3 -0.196 3.764 3.960 0.000 0.000 0.962 267 G C -0.113 174.804 174.900 0.028 0.000 1.348 267 G CA -0.099 45.017 45.100 0.026 0.000 0.987 267 G HN 0.603 nan 8.290 nan 0.000 0.528 268 I N -0.719 119.868 120.570 0.027 0.000 2.771 268 I HA 0.199 4.369 4.170 0.000 0.000 0.291 268 I C -1.119 175.015 176.117 0.028 0.000 1.527 268 I CA -0.955 60.363 61.300 0.030 0.000 1.024 268 I CB 2.227 40.245 38.000 0.029 0.000 1.388 268 I HN 0.552 nan 8.210 nan 0.000 0.447 269 D N 2.504 122.924 120.400 0.033 0.000 2.340 269 D HA 0.261 4.901 4.640 0.000 0.000 0.251 269 D C 0.687 177.005 176.300 0.030 0.000 1.080 269 D CA -0.116 53.902 54.000 0.030 0.000 0.971 269 D CB 1.468 42.290 40.800 0.036 0.000 1.137 269 D HN 0.461 nan 8.370 nan 0.000 0.475 270 D N 1.225 121.635 120.400 0.017 0.000 2.149 270 D HA -0.119 4.521 4.640 0.000 0.000 0.201 270 D C 2.010 178.314 176.300 0.007 0.000 0.972 270 D CA 0.582 54.587 54.000 0.008 0.000 0.835 270 D CB -0.052 40.742 40.800 -0.010 0.000 0.966 270 D HN 0.329 nan 8.370 nan 0.000 0.476 271 L N 0.419 121.641 121.223 -0.002 0.000 2.275 271 L HA 0.044 4.384 4.340 0.000 0.000 0.215 271 L C 2.194 179.085 176.870 0.036 0.000 1.119 271 L CA 1.173 56.000 54.840 -0.022 0.000 0.790 271 L CB -0.146 41.860 42.059 -0.088 0.000 0.919 271 L HN -0.095 nan 8.230 nan 0.000 0.443 272 A N 0.177 123.061 122.820 0.107 0.000 1.873 272 A HA -0.210 4.110 4.320 0.000 0.000 0.215 272 A C 2.157 179.814 177.584 0.122 0.000 1.186 272 A CA 1.522 53.659 52.037 0.166 0.000 0.616 272 A CB -0.605 18.477 19.000 0.136 0.000 0.823 272 A HN 0.672 nan 8.150 nan 0.000 0.442 273 Q N -0.810 119.033 119.800 0.072 0.000 2.112 273 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 273 Q C 2.052 178.071 176.000 0.031 0.000 0.987 273 Q CA 1.693 57.523 55.803 0.046 0.000 0.858 273 Q CB -0.639 28.116 28.738 0.027 0.000 0.905 273 Q HN 0.836 nan 8.270 nan 0.000 0.420 274 H N -0.479 118.545 119.070 -0.077 0.000 2.387 274 H HA -0.165 4.391 4.556 0.000 0.000 0.299 274 H C 1.473 176.708 175.328 -0.155 0.000 1.099 274 H CA 1.668 57.626 56.048 -0.149 0.000 1.315 274 H CB 0.112 29.732 29.762 -0.237 0.000 1.380 274 H HN 0.328 nan 8.280 nan 0.000 0.513 275 Y N 0.461 120.749 120.300 -0.020 0.000 2.145 275 Y HA -0.170 4.380 4.550 0.000 0.000 0.286 275 Y C 2.820 178.675 175.900 -0.076 0.000 1.145 275 Y CA 0.949 59.023 58.100 -0.043 0.000 1.148 275 Y CB -0.626 37.839 38.460 0.008 0.000 0.981 275 Y HN 0.092 nan 8.280 nan 0.000 0.507 276 L N -0.939 120.330 121.223 0.077 0.000 2.141 276 L HA -0.132 4.208 4.340 0.000 0.000 0.209 276 L C 2.541 179.394 176.870 -0.029 0.000 1.094 276 L CA 1.206 56.057 54.840 0.019 0.000 0.763 276 L CB -0.799 41.265 42.059 0.008 0.000 0.908 276 L HN 0.163 nan 8.230 nan 0.000 0.437 277 A N -0.524 122.255 122.820 -0.069 0.000 1.930 277 A HA -0.182 4.138 4.320 0.000 0.000 0.217 277 A C 2.338 179.841 177.584 -0.135 0.000 1.175 277 A CA 1.268 53.240 52.037 -0.109 0.000 0.627 277 A CB -0.338 18.593 19.000 -0.114 0.000 0.815 277 A HN 0.244 nan 8.150 nan 0.000 0.443 278 K N -0.539 119.747 120.400 -0.188 0.000 2.160 278 K HA -0.192 4.128 4.320 0.000 0.000 0.206 278 K C 1.436 178.010 176.600 -0.044 0.000 1.047 278 K CA 1.804 58.016 56.287 -0.126 0.000 0.930 278 K CB -0.092 32.335 32.500 -0.122 0.000 0.720 278 K HN 0.622 nan 8.250 nan 0.000 0.450 279 E N -1.199 118.986 120.200 -0.025 0.000 2.481 279 E HA 0.054 4.404 4.350 0.000 0.000 0.198 279 E C 0.201 176.789 176.600 -0.022 0.000 1.027 279 E CA 0.130 56.522 56.400 -0.014 0.000 0.900 279 E CB 0.755 30.453 29.700 -0.004 0.000 0.993 279 E HN 0.417 nan 8.360 nan 0.000 0.482 280 G N 2.113 110.894 108.800 -0.031 0.000 2.298 280 G HA2 -0.265 3.695 3.960 0.000 0.000 0.287 280 G HA3 -0.265 3.695 3.960 0.000 0.000 0.287 280 G C -0.006 174.874 174.900 -0.034 0.000 1.075 280 G CA -0.007 45.074 45.100 -0.032 0.000 0.960 280 G HN 0.219 nan 8.290 nan 0.000 0.502 281 I N 0.636 121.184 120.570 -0.038 0.000 2.315 281 I HA 0.387 4.557 4.170 0.000 0.000 0.291 281 I C 1.109 177.190 176.117 -0.062 0.000 1.006 281 I CA -0.973 60.299 61.300 -0.046 0.000 1.265 281 I CB 1.420 39.398 38.000 -0.037 0.000 1.387 281 I HN 0.160 nan 8.210 nan 0.000 0.475 282 V N 5.484 125.347 119.914 -0.085 0.000 2.834 282 V HA 0.857 4.977 4.120 0.000 0.000 0.301 282 V C 0.059 176.061 176.094 -0.153 0.000 1.066 282 V CA -0.036 62.197 62.300 -0.112 0.000 1.052 282 V CB 1.391 33.144 31.823 -0.117 0.000 1.021 282 V HN 0.889 nan 8.190 nan 0.000 0.480 283 A N 4.085 126.818 122.820 -0.144 0.000 2.547 283 A HA 0.941 5.261 4.320 0.000 0.000 0.297 283 A C -0.420 177.096 177.584 -0.112 0.000 1.056 283 A CA -0.313 51.626 52.037 -0.162 0.000 0.688 283 A CB 1.468 20.422 19.000 -0.078 0.000 1.282 283 A HN 2.295 nan 8.150 nan 0.000 0.400 284 A N 1.094 123.850 122.820 -0.106 0.000 2.340 284 A HA 0.938 5.258 4.320 0.000 0.000 0.331 284 A C -0.073 177.554 177.584 0.071 0.000 1.140 284 A CA -0.531 51.528 52.037 0.037 0.000 0.801 284 A CB 1.005 20.129 19.000 0.207 0.000 1.234 284 A HN 1.652 nan 8.150 nan 0.000 0.469 285 R N 0.565 121.108 120.500 0.072 0.000 2.628 285 R HA 0.662 5.002 4.340 0.000 0.000 0.288 285 R C -0.137 176.195 176.300 0.054 0.000 0.980 285 R CA -0.576 55.556 56.100 0.054 0.000 0.891 285 R CB 0.867 31.188 30.300 0.035 0.000 1.188 285 R HN 0.581 nan 8.270 nan 0.000 0.450 286 R N 1.409 121.936 120.500 0.045 0.000 3.826 286 R HA -0.126 4.214 4.340 0.000 0.000 0.295 286 R C -0.650 175.671 176.300 0.035 0.000 1.200 286 R CA 1.114 57.235 56.100 0.036 0.000 0.818 286 R CB -2.242 28.072 30.300 0.024 0.000 1.216 286 R HN 0.532 nan 8.270 nan 0.000 0.513 287 V N 0.731 120.678 119.914 0.054 0.000 2.539 287 V HA -0.105 4.015 4.120 0.000 0.000 0.300 287 V C 1.318 177.421 176.094 0.014 0.000 1.019 287 V CA 0.614 62.938 62.300 0.041 0.000 1.160 287 V CB 0.378 32.245 31.823 0.074 0.000 0.901 287 V HN 0.179 nan 8.190 nan 0.000 0.481 288 K N 3.337 123.732 120.400 -0.009 0.000 2.090 288 K HA 0.286 4.606 4.320 0.000 0.000 0.250 288 K C 1.044 177.631 176.600 -0.021 0.000 1.004 288 K CA -0.690 55.589 56.287 -0.013 0.000 0.919 288 K CB 0.882 33.374 32.500 -0.014 0.000 1.045 288 K HN 0.607 nan 8.250 nan 0.000 0.471 289 K N 0.473 120.863 120.400 -0.016 0.000 2.459 289 K HA -0.027 4.293 4.320 0.000 0.000 0.193 289 K C 1.527 178.111 176.600 -0.027 0.000 1.030 289 K CA 0.567 56.844 56.287 -0.017 0.000 1.026 289 K CB 0.174 32.669 32.500 -0.009 0.000 0.809 289 K HN 0.485 nan 8.250 nan 0.000 0.504 290 S N 1.753 117.433 115.700 -0.033 0.000 2.444 290 S HA -0.183 4.287 4.470 0.000 0.000 0.225 290 S C 0.803 175.367 174.600 -0.062 0.000 1.042 290 S CA 2.119 60.293 58.200 -0.044 0.000 1.132 290 S CB -0.406 62.767 63.200 -0.044 0.000 1.099 290 S HN 0.475 nan 8.310 nan 0.000 0.417 291 D N 0.563 120.917 120.400 -0.076 0.000 2.411 291 D HA -0.024 4.616 4.640 0.000 0.000 0.226 291 D C 1.345 177.564 176.300 -0.135 0.000 0.988 291 D CA 0.609 54.538 54.000 -0.119 0.000 0.938 291 D CB -0.057 40.657 40.800 -0.143 0.000 0.883 291 D HN 0.312 nan 8.370 nan 0.000 0.525 292 M N -0.712 118.839 119.600 -0.081 0.000 2.465 292 M HA 0.099 4.579 4.480 0.000 0.000 0.249 292 M C 1.083 177.354 176.300 -0.047 0.000 1.130 292 M CA 0.545 55.809 55.300 -0.060 0.000 1.067 292 M CB 0.279 32.867 32.600 -0.021 0.000 1.394 292 M HN -0.011 nan 8.290 nan 0.000 0.483 293 E N 0.152 120.322 120.200 -0.051 0.000 2.452 293 E HA -0.005 4.345 4.350 0.000 0.000 0.197 293 E C 1.470 178.036 176.600 -0.058 0.000 1.022 293 E CA 0.295 56.668 56.400 -0.044 0.000 0.890 293 E CB 0.475 30.155 29.700 -0.033 0.000 0.918 293 E HN 0.381 nan 8.360 nan 0.000 0.496 294 K N 0.050 120.402 120.400 -0.080 0.000 2.284 294 K HA 0.089 4.409 4.320 0.000 0.000 0.198 294 K C 1.683 178.215 176.600 -0.114 0.000 1.048 294 K CA 0.427 56.658 56.287 -0.093 0.000 0.987 294 K CB 0.329 32.774 32.500 -0.091 0.000 0.800 294 K HN 0.041 nan 8.250 nan 0.000 0.486 295 L N 0.292 121.428 121.223 -0.146 0.000 2.270 295 L HA 0.068 4.408 4.340 0.000 0.000 0.210 295 L C 2.407 179.239 176.870 -0.063 0.000 1.104 295 L CA 0.618 55.361 54.840 -0.162 0.000 0.804 295 L CB -0.406 41.468 42.059 -0.309 0.000 0.937 295 L HN 0.093 nan 8.230 nan 0.000 0.450 296 A N 0.970 123.765 122.820 -0.042 0.000 2.067 296 A HA -0.159 4.161 4.320 0.000 0.000 0.219 296 A C 2.167 179.753 177.584 0.003 0.000 1.158 296 A CA 1.544 53.578 52.037 -0.005 0.000 0.661 296 A CB -0.203 18.798 19.000 0.002 0.000 0.801 296 A HN 0.421 nan 8.150 nan 0.000 0.452 297 K N -0.386 120.000 120.400 -0.024 0.000 2.313 297 K HA 0.470 4.790 4.320 0.000 0.000 0.197 297 K C 2.039 178.615 176.600 -0.040 0.000 1.061 297 K CA 0.773 57.036 56.287 -0.041 0.000 0.980 297 K CB -0.346 32.108 32.500 -0.076 0.000 0.888 297 K HN 0.222 nan 8.250 nan 0.000 0.502 298 A N 1.710 124.508 122.820 -0.037 0.000 1.828 298 A HA -0.200 4.120 4.320 0.000 0.000 0.215 298 A C 2.457 180.049 177.584 0.014 0.000 1.203 298 A CA 2.651 54.675 52.037 -0.022 0.000 0.614 298 A CB -1.510 17.466 19.000 -0.038 0.000 0.844 298 A HN 0.448 nan 8.150 nan 0.000 0.445 299 T N -4.640 109.930 114.554 0.028 0.000 2.942 299 T HA 0.371 4.721 4.350 0.000 0.000 0.265 299 T C 1.499 176.238 174.700 0.065 0.000 1.062 299 T CA 1.657 63.791 62.100 0.056 0.000 1.139 299 T CB 0.136 69.051 68.868 0.078 0.000 0.883 299 T HN 1.809 nan 8.240 nan 0.000 0.468 300 G N 1.237 110.075 108.800 0.063 0.000 2.428 300 G HA2 0.187 4.147 3.960 0.000 0.000 0.199 300 G HA3 0.187 4.147 3.960 0.000 0.000 0.199 300 G C 0.516 175.464 174.900 0.080 0.000 1.005 300 G CA 0.047 45.203 45.100 0.094 0.000 0.671 300 G HN 1.399 nan 8.290 nan 0.000 0.485 301 A N 0.166 123.022 122.820 0.060 0.000 2.474 301 A HA 0.211 4.531 4.320 0.000 0.000 0.258 301 A C 0.395 178.005 177.584 0.043 0.000 1.360 301 A CA 1.597 53.663 52.037 0.050 0.000 1.371 301 A CB -0.395 18.637 19.000 0.053 0.000 0.945 301 A HN 1.951 nan 8.150 nan 0.000 0.423 302 N N 0.506 119.228 118.700 0.037 0.000 2.444 302 N HA 0.452 5.192 4.740 0.000 0.000 0.262 302 N C -0.430 175.096 175.510 0.026 0.000 0.974 302 N CA -0.324 52.744 53.050 0.030 0.000 0.933 302 N CB 1.909 40.413 38.487 0.030 0.000 1.137 302 N HN 1.059 nan 8.380 nan 0.000 0.498 303 V N 3.126 123.053 119.914 0.022 0.000 2.572 303 V HA 0.373 4.493 4.120 0.000 0.000 0.291 303 V C 0.235 176.340 176.094 0.019 0.000 1.039 303 V CA -0.448 61.864 62.300 0.021 0.000 1.055 303 V CB -0.406 31.425 31.823 0.013 0.000 0.969 303 V HN 0.771 nan 8.190 nan 0.000 0.482 304 I N 3.312 123.895 120.570 0.022 0.000 2.957 304 I HA 0.662 4.832 4.170 0.000 0.000 0.310 304 I C 1.006 177.134 176.117 0.019 0.000 1.063 304 I CA -0.273 61.039 61.300 0.019 0.000 1.033 304 I CB 2.083 40.096 38.000 0.020 0.000 1.230 304 I HN 0.719 nan 8.210 nan 0.000 0.447 305 T N 1.195 115.758 114.554 0.015 0.000 2.558 305 T HA -0.073 4.277 4.350 0.000 0.000 0.247 305 T C 0.859 175.568 174.700 0.016 0.000 1.146 305 T CA 0.890 62.998 62.100 0.013 0.000 1.289 305 T CB -0.600 68.274 68.868 0.010 0.000 0.905 305 T HN 0.726 nan 8.240 nan 0.000 0.397 306 N N 0.302 119.011 118.700 0.014 0.000 2.476 306 N HA 0.246 4.986 4.740 0.000 0.000 0.275 306 N C 1.091 176.612 175.510 0.018 0.000 1.190 306 N CA -0.651 52.408 53.050 0.015 0.000 0.977 306 N CB 0.764 39.258 38.487 0.012 0.000 1.200 306 N HN 0.375 nan 8.380 nan 0.000 0.515 307 I N 1.873 122.455 120.570 0.019 0.000 2.576 307 I HA -0.480 3.690 4.170 0.000 0.000 0.221 307 I C 1.890 178.014 176.117 0.013 0.000 0.924 307 I CA 2.769 64.080 61.300 0.017 0.000 1.228 307 I CB -0.169 37.842 38.000 0.018 0.000 0.939 307 I HN 0.813 nan 8.210 nan 0.000 0.375 308 K N -0.116 120.289 120.400 0.009 0.000 2.442 308 K HA -0.203 4.117 4.320 0.000 0.000 0.200 308 K C 1.492 178.094 176.600 0.004 0.000 1.045 308 K CA 1.966 58.256 56.287 0.005 0.000 0.937 308 K CB -0.413 32.089 32.500 0.002 0.000 0.757 308 K HN 0.487 nan 8.250 nan 0.000 0.474 309 D N 0.007 120.411 120.400 0.007 0.000 2.367 309 D HA 0.031 4.671 4.640 0.000 0.000 0.207 309 D C 0.055 176.361 176.300 0.010 0.000 1.034 309 D CA -0.201 53.804 54.000 0.008 0.000 0.861 309 D CB 0.225 41.031 40.800 0.009 0.000 0.943 309 D HN 0.073 nan 8.370 nan 0.000 0.515 310 L N 1.260 122.490 121.223 0.012 0.000 2.613 310 L HA -0.113 4.227 4.340 0.000 0.000 0.304 310 L C 0.341 177.217 176.870 0.010 0.000 1.266 310 L CA 0.838 55.686 54.840 0.014 0.000 0.868 310 L CB 0.145 42.211 42.059 0.013 0.000 1.111 310 L HN 0.138 nan 8.230 nan 0.000 0.515 311 S N 0.693 116.400 115.700 0.012 0.000 2.684 311 S HA 0.438 4.908 4.470 0.000 0.000 0.268 311 S C -0.500 174.107 174.600 0.013 0.000 0.982 311 S CA -0.493 57.713 58.200 0.009 0.000 0.949 311 S CB 0.329 63.533 63.200 0.007 0.000 1.213 311 S HN 0.938 nan 8.310 nan 0.000 0.468 312 A N -0.311 122.515 122.820 0.010 0.000 2.684 312 A HA 0.667 4.987 4.320 0.000 0.000 0.288 312 A C 0.680 178.271 177.584 0.011 0.000 1.337 312 A CA 0.234 52.277 52.037 0.010 0.000 0.946 312 A CB -0.580 18.424 19.000 0.006 0.000 1.093 312 A HN 0.597 nan 8.150 nan 0.000 0.543 313 Q N -1.160 118.648 119.800 0.013 0.000 2.241 313 Q HA -0.018 4.322 4.340 0.000 0.000 0.184 313 Q C 0.907 176.915 176.000 0.014 0.000 0.712 313 Q CA 0.578 56.388 55.803 0.012 0.000 0.863 313 Q CB 0.261 29.004 28.738 0.007 0.000 1.256 313 Q HN 0.445 nan 8.270 nan 0.000 0.409 314 D N 0.718 121.128 120.400 0.016 0.000 7.761 314 D HA -0.255 4.385 4.640 0.000 0.000 0.203 314 D C 0.103 176.421 176.300 0.030 0.000 2.081 314 D CA 1.634 55.647 54.000 0.022 0.000 0.670 314 D CB -0.503 40.310 40.800 0.022 0.000 0.650 314 D HN 0.328 nan 8.370 nan 0.000 0.940 315 L N -0.767 120.475 121.223 0.031 0.000 2.381 315 L HA 0.666 5.006 4.340 0.000 0.000 0.268 315 L C 1.146 178.041 176.870 0.041 0.000 0.997 315 L CA -0.682 54.181 54.840 0.039 0.000 0.818 315 L CB 2.492 44.573 42.059 0.036 0.000 1.310 315 L HN 0.048 nan 8.230 nan 0.000 0.416 316 G N -0.223 108.610 108.800 0.055 0.000 2.543 316 G HA2 0.425 4.385 3.960 0.000 0.000 0.267 316 G HA3 0.425 4.385 3.960 0.000 0.000 0.267 316 G C -1.331 173.599 174.900 0.050 0.000 1.406 316 G CA -0.103 45.031 45.100 0.056 0.000 1.048 316 G HN 0.524 nan 8.290 nan 0.000 0.548 317 D N -0.452 119.980 120.400 0.054 0.000 2.602 317 D HA 0.597 5.237 4.640 0.000 0.000 0.245 317 D C -0.763 175.570 176.300 0.054 0.000 1.325 317 D CA 0.071 54.098 54.000 0.046 0.000 0.952 317 D CB 1.432 42.254 40.800 0.037 0.000 1.317 317 D HN 0.563 nan 8.370 nan 0.000 0.577 318 A N 1.278 124.132 122.820 0.057 0.000 2.459 318 A HA 0.629 4.949 4.320 0.000 0.000 0.296 318 A C 1.029 178.646 177.584 0.055 0.000 1.039 318 A CA -0.394 51.682 52.037 0.064 0.000 0.698 318 A CB 1.571 20.624 19.000 0.088 0.000 1.261 318 A HN 0.427 nan 8.150 nan 0.000 0.405 319 G N 0.392 109.221 108.800 0.049 0.000 2.534 319 G HA2 0.343 4.303 3.960 0.000 0.000 0.217 319 G HA3 0.343 4.303 3.960 0.000 0.000 0.217 319 G C 0.064 174.986 174.900 0.036 0.000 1.128 319 G CA 0.955 46.077 45.100 0.038 0.000 0.784 319 G HN 0.588 nan 8.290 nan 0.000 0.542 320 L N -0.052 121.202 121.223 0.051 0.000 2.562 320 L HA 0.509 4.849 4.340 0.000 0.000 0.266 320 L C -1.226 175.692 176.870 0.080 0.000 0.949 320 L CA -0.394 54.476 54.840 0.049 0.000 0.879 320 L CB 2.778 44.855 42.059 0.030 0.000 1.278 320 L HN -0.171 nan 8.230 nan 0.000 0.404 321 V N 3.366 123.329 119.914 0.081 0.000 2.516 321 V HA 0.458 4.578 4.120 0.000 0.000 0.271 321 V C -0.560 175.591 176.094 0.095 0.000 0.992 321 V CA -0.525 61.847 62.300 0.120 0.000 0.857 321 V CB 1.581 33.474 31.823 0.116 0.000 1.047 321 V HN 0.734 nan 8.190 nan 0.000 0.455 322 E N 2.452 122.721 120.200 0.115 0.000 2.266 322 E HA 0.454 4.804 4.350 0.000 0.000 0.268 322 E C -0.802 175.885 176.600 0.145 0.000 0.879 322 E CA -0.681 55.765 56.400 0.076 0.000 0.762 322 E CB 2.162 31.865 29.700 0.005 0.000 1.199 322 E HN 0.639 nan 8.360 nan 0.000 0.422 323 E N 3.807 124.073 120.200 0.110 0.000 2.001 323 E HA 0.160 4.510 4.350 0.000 0.000 0.279 323 E C -0.849 175.822 176.600 0.119 0.000 1.045 323 E CA -0.275 56.207 56.400 0.136 0.000 0.833 323 E CB 0.550 30.299 29.700 0.082 0.000 1.077 323 E HN 0.287 nan 8.360 nan 0.000 0.397 324 R N 3.514 124.131 120.500 0.195 0.000 2.215 324 R HA 0.090 4.430 4.340 0.000 0.000 0.337 324 R C -0.408 175.980 176.300 0.145 0.000 1.010 324 R CA -0.841 55.334 56.100 0.125 0.000 0.871 324 R CB 0.783 31.090 30.300 0.011 0.000 1.134 324 R HN 0.343 nan 8.270 nan 0.000 0.477 325 K N 3.221 123.669 120.400 0.081 0.000 2.548 325 K HA -0.096 4.224 4.320 0.000 0.000 0.277 325 K C -0.643 176.012 176.600 0.093 0.000 1.001 325 K CA 0.957 57.288 56.287 0.073 0.000 1.102 325 K CB 0.242 32.770 32.500 0.046 0.000 0.848 325 K HN 0.619 nan 8.250 nan 0.000 0.487 326 I N 3.007 123.634 120.570 0.096 0.000 2.619 326 I HA 0.211 4.381 4.170 0.000 0.000 0.292 326 I C -0.166 175.986 176.117 0.059 0.000 1.100 326 I CA 0.146 61.502 61.300 0.093 0.000 1.043 326 I CB 1.904 39.990 38.000 0.143 0.000 1.239 326 I HN 1.058 nan 8.210 nan 0.000 0.420 327 S N 4.826 120.554 115.700 0.047 0.000 3.257 327 S HA -0.193 4.277 4.470 0.000 0.000 0.300 327 S C 0.759 175.377 174.600 0.030 0.000 1.275 327 S CA 1.481 59.701 58.200 0.034 0.000 1.023 327 S CB -1.849 61.370 63.200 0.032 0.000 1.180 327 S HN 2.485 nan 8.310 nan 0.000 0.660 328 G N 0.766 109.586 108.800 0.033 0.000 2.269 328 G HA2 -0.037 3.923 3.960 0.000 0.000 0.237 328 G HA3 -0.037 3.923 3.960 0.000 0.000 0.237 328 G C -0.542 174.376 174.900 0.030 0.000 0.761 328 G CA 0.525 45.643 45.100 0.030 0.000 1.141 328 G HN 0.860 nan 8.290 nan 0.000 0.319 329 D N 0.221 120.643 120.400 0.036 0.000 2.115 329 D HA 0.148 4.788 4.640 0.000 0.000 0.161 329 D C 0.016 176.345 176.300 0.048 0.000 1.181 329 D CA -0.011 54.010 54.000 0.035 0.000 0.868 329 D CB 0.534 41.350 40.800 0.027 0.000 2.440 329 D HN 0.586 nan 8.370 nan 0.000 0.502 330 S N 2.110 117.839 115.700 0.050 0.000 2.505 330 S HA 0.639 5.109 4.470 0.000 0.000 0.276 330 S C 0.481 175.123 174.600 0.070 0.000 1.274 330 S CA -0.492 57.749 58.200 0.068 0.000 1.053 330 S CB 1.197 64.438 63.200 0.067 0.000 0.919 330 S HN 0.355 nan 8.310 nan 0.000 0.490 331 M N 2.641 122.301 119.600 0.100 0.000 2.644 331 M HA 0.536 5.016 4.480 0.000 0.000 0.304 331 M C -0.898 175.476 176.300 0.124 0.000 1.215 331 M CA -0.611 54.723 55.300 0.057 0.000 0.871 331 M CB 1.956 34.525 32.600 -0.052 0.000 1.740 331 M HN 0.495 nan 8.290 nan 0.000 0.464 332 I N 1.815 122.435 120.570 0.083 0.000 2.339 332 I HA 0.378 4.548 4.170 0.000 0.000 0.290 332 I C -1.096 175.103 176.117 0.137 0.000 0.994 332 I CA -0.468 60.952 61.300 0.199 0.000 1.191 332 I CB 1.089 39.274 38.000 0.308 0.000 1.343 332 I HN 0.469 nan 8.210 nan 0.000 0.458 333 F N 5.600 125.600 119.950 0.083 0.000 2.370 333 F HA 0.403 4.930 4.527 0.000 0.000 0.324 333 F C 0.524 176.373 175.800 0.082 0.000 1.116 333 F CA -0.527 57.508 58.000 0.059 0.000 1.123 333 F CB 1.224 40.248 39.000 0.039 0.000 1.238 333 F HN 0.018 nan 8.300 nan 0.000 0.536 334 V N 1.180 121.227 119.914 0.222 0.000 2.666 334 V HA 0.229 4.349 4.120 0.000 0.000 0.269 334 V C -0.602 175.562 176.094 0.116 0.000 0.926 334 V CA -0.774 61.615 62.300 0.148 0.000 1.035 334 V CB -0.259 31.624 31.823 0.100 0.000 1.099 334 V HN 0.787 nan 8.190 nan 0.000 0.519 335 E N 0.323 120.601 120.200 0.129 0.000 2.285 335 E HA 0.752 5.102 4.350 0.000 0.000 0.254 335 E C -0.419 176.222 176.600 0.068 0.000 1.011 335 E CA -1.082 55.376 56.400 0.096 0.000 0.873 335 E CB 1.150 30.913 29.700 0.106 0.000 1.229 335 E HN 0.124 nan 8.360 nan 0.000 0.422 336 E N -0.939 119.294 120.200 0.054 0.000 2.271 336 E HA -0.162 4.188 4.350 0.000 0.000 0.223 336 E C -1.212 175.413 176.600 0.043 0.000 1.223 336 E CA 0.260 56.685 56.400 0.042 0.000 0.704 336 E CB -1.797 27.923 29.700 0.033 0.000 1.194 336 E HN 0.527 nan 8.360 nan 0.000 0.375 337 C N 1.133 120.460 119.300 0.044 0.000 2.637 337 C HA 0.072 4.532 4.460 0.000 0.000 0.418 337 C C 2.227 177.249 174.990 0.053 0.000 1.319 337 C CA -0.315 58.731 59.018 0.047 0.000 1.949 337 C CB 0.918 28.680 27.740 0.036 0.000 2.639 337 C HN 0.556 nan 8.230 nan 0.000 0.594 338 K N 1.791 122.230 120.400 0.065 0.000 1.990 338 K HA -0.227 4.093 4.320 0.000 0.000 0.225 338 K C 1.331 177.999 176.600 0.114 0.000 1.053 338 K CA 2.079 58.412 56.287 0.076 0.000 0.982 338 K CB -0.284 32.261 32.500 0.077 0.000 0.734 338 K HN 0.932 nan 8.250 nan 0.000 0.448 339 H N -0.370 118.705 119.070 0.009 0.000 2.767 339 H HA 0.213 4.769 4.556 0.000 0.000 0.260 339 H C -2.217 173.113 175.328 0.004 0.000 1.172 339 H CA -1.107 54.945 56.048 0.006 0.000 1.048 339 H CB 0.646 30.411 29.762 0.006 0.000 1.697 339 H HN 0.159 nan 8.280 nan 0.000 0.606 340 P HA -0.105 nan 4.420 nan 0.000 0.247 340 P C 0.561 177.761 177.300 -0.166 0.000 1.141 340 P CA 0.385 63.433 63.100 -0.086 0.000 0.858 340 P CB 0.461 32.140 31.700 -0.036 0.000 0.804 341 K N 2.564 122.803 120.400 -0.269 0.000 2.116 341 K HA 0.145 4.465 4.320 0.000 0.000 0.203 341 K C 1.009 177.536 176.600 -0.123 0.000 1.052 341 K CA 0.484 56.634 56.287 -0.229 0.000 0.952 341 K CB -0.058 32.286 32.500 -0.260 0.000 0.729 341 K HN 0.418 nan 8.250 nan 0.000 0.446 342 A N 1.291 124.047 122.820 -0.106 0.000 2.346 342 A HA 0.676 4.996 4.320 0.000 0.000 0.313 342 A C -1.152 176.395 177.584 -0.063 0.000 1.140 342 A CA -0.675 51.318 52.037 -0.073 0.000 0.826 342 A CB 2.302 21.263 19.000 -0.066 0.000 1.332 342 A HN 0.034 nan 8.150 nan 0.000 0.457 343 V N 0.498 120.381 119.914 -0.051 0.000 2.739 343 V HA 0.482 4.602 4.120 0.000 0.000 0.293 343 V C -0.683 175.388 176.094 -0.038 0.000 1.199 343 V CA -0.171 62.106 62.300 -0.037 0.000 0.931 343 V CB 1.887 33.693 31.823 -0.028 0.000 1.052 343 V HN 1.053 nan 8.190 nan 0.000 0.441 344 T N 7.710 122.240 114.554 -0.039 0.000 2.889 344 T HA 0.473 4.824 4.350 0.000 0.000 0.291 344 T C -0.113 174.571 174.700 -0.026 0.000 0.995 344 T CA -0.149 61.923 62.100 -0.046 0.000 1.092 344 T CB 1.187 70.013 68.868 -0.071 0.000 0.954 344 T HN 0.685 nan 8.240 nan 0.000 0.506 345 M N 4.135 123.719 119.600 -0.026 0.000 2.060 345 M HA 0.394 4.874 4.480 0.000 0.000 0.342 345 M C -0.549 175.746 176.300 -0.010 0.000 1.031 345 M CA -0.597 54.697 55.300 -0.009 0.000 0.981 345 M CB 0.346 32.939 32.600 -0.011 0.000 1.376 345 M HN 0.545 nan 8.290 nan 0.000 0.397 346 L N 4.854 126.080 121.223 0.006 0.000 2.529 346 L HA 0.146 4.486 4.340 0.000 0.000 0.287 346 L C -0.957 175.925 176.870 0.020 0.000 1.241 346 L CA 0.674 55.524 54.840 0.015 0.000 0.857 346 L CB 0.436 42.539 42.059 0.073 0.000 1.113 346 L HN 0.642 nan 8.230 nan 0.000 0.504 347 I N 4.797 125.377 120.570 0.016 0.000 2.517 347 I HA 0.359 4.529 4.170 0.000 0.000 0.280 347 I C -0.426 175.704 176.117 0.022 0.000 1.061 347 I CA -0.503 60.806 61.300 0.015 0.000 1.091 347 I CB 1.037 39.040 38.000 0.004 0.000 1.205 347 I HN 0.518 nan 8.210 nan 0.000 0.459 348 R N 3.551 124.068 120.500 0.028 0.000 2.674 348 R HA 0.920 5.260 4.340 0.000 0.000 0.266 348 R C 0.293 176.608 176.300 0.026 0.000 1.016 348 R CA -0.741 55.378 56.100 0.031 0.000 1.062 348 R CB 2.060 32.383 30.300 0.038 0.000 1.142 348 R HN 0.801 nan 8.270 nan 0.000 0.517 349 G N -0.619 108.197 108.800 0.026 0.000 2.512 349 G HA2 -0.044 3.916 3.960 0.000 0.000 0.181 349 G HA3 -0.044 3.916 3.960 0.000 0.000 0.181 349 G C 0.166 175.081 174.900 0.026 0.000 1.173 349 G CA 0.208 45.323 45.100 0.025 0.000 0.988 349 G HN 0.505 nan 8.290 nan 0.000 0.485 350 T N -3.231 111.341 114.554 0.029 0.000 3.114 350 T HA 0.446 4.796 4.350 0.000 0.000 0.240 350 T C 1.182 175.902 174.700 0.034 0.000 0.983 350 T CA 1.768 63.885 62.100 0.028 0.000 1.151 350 T CB 0.338 69.223 68.868 0.027 0.000 0.974 350 T HN 1.245 nan 8.240 nan 0.000 0.442 351 T N 0.532 115.115 114.554 0.048 0.000 2.942 351 T HA 0.315 4.665 4.350 0.000 0.000 0.289 351 T C 0.875 175.608 174.700 0.055 0.000 1.044 351 T CA -0.406 61.731 62.100 0.062 0.000 1.023 351 T CB 1.800 70.701 68.868 0.055 0.000 1.123 351 T HN 0.362 nan 8.240 nan 0.000 0.512 352 E N 0.657 120.883 120.200 0.044 0.000 2.279 352 E HA -0.323 4.027 4.350 0.000 0.000 0.205 352 E C 1.260 177.867 176.600 0.013 0.000 1.028 352 E CA 1.890 58.300 56.400 0.018 0.000 0.830 352 E CB -0.372 29.327 29.700 -0.002 0.000 0.736 352 E HN 0.726 nan 8.360 nan 0.000 0.478 353 H N 0.296 119.368 119.070 0.003 0.000 2.294 353 H HA 0.003 4.559 4.556 -0.000 0.000 0.306 353 H C 2.231 177.561 175.328 0.004 0.000 1.065 353 H CA 1.398 57.448 56.048 0.003 0.000 1.343 353 H CB -0.045 29.719 29.762 0.004 0.000 1.396 353 H HN -0.080 nan 8.280 nan 0.000 0.506 354 V N 1.127 121.122 119.914 0.136 0.000 2.720 354 V HA -0.204 3.916 4.120 0.000 0.000 0.256 354 V C 1.996 178.119 176.094 0.048 0.000 1.082 354 V CA 1.625 63.973 62.300 0.081 0.000 1.101 354 V CB -0.570 31.285 31.823 0.053 0.000 0.693 354 V HN 0.396 nan 8.190 nan 0.000 0.479 355 I N 0.533 121.124 120.570 0.034 0.000 2.353 355 I HA -0.216 3.954 4.170 0.000 0.000 0.248 355 I C 2.412 178.528 176.117 -0.002 0.000 1.119 355 I CA 1.381 62.689 61.300 0.014 0.000 1.417 355 I CB -0.847 37.157 38.000 0.007 0.000 1.078 355 I HN 0.416 nan 8.210 nan 0.000 0.421 356 E N 2.371 122.561 120.200 -0.016 0.000 2.132 356 E HA -0.388 3.962 4.350 0.000 0.000 0.218 356 E C 1.882 178.470 176.600 -0.019 0.000 1.058 356 E CA 2.276 58.651 56.400 -0.041 0.000 0.882 356 E CB -0.616 29.038 29.700 -0.076 0.000 0.774 356 E HN 0.735 nan 8.360 nan 0.000 0.467 357 E N 1.141 121.345 120.200 0.008 0.000 2.028 357 E HA -0.117 4.233 4.350 0.000 0.000 0.190 357 E C 2.001 178.610 176.600 0.015 0.000 0.984 357 E CA 1.302 57.716 56.400 0.023 0.000 0.800 357 E CB -0.107 29.622 29.700 0.049 0.000 0.758 357 E HN 0.175 nan 8.360 nan 0.000 0.448 358 V N 1.025 120.948 119.914 0.015 0.000 3.383 358 V HA -0.040 4.080 4.120 0.000 0.000 0.272 358 V C 1.829 177.924 176.094 0.001 0.000 1.181 358 V CA 1.222 63.527 62.300 0.009 0.000 1.171 358 V CB -0.513 31.317 31.823 0.011 0.000 0.800 358 V HN 0.488 nan 8.190 nan 0.000 0.515 359 A N -0.451 122.366 122.820 -0.005 0.000 2.169 359 A HA 0.109 4.429 4.320 0.000 0.000 0.210 359 A C 2.326 179.903 177.584 -0.012 0.000 1.168 359 A CA 0.378 52.408 52.037 -0.013 0.000 0.813 359 A CB -0.063 18.924 19.000 -0.021 0.000 0.861 359 A HN 0.446 nan 8.150 nan 0.000 0.481 360 R N -1.075 119.421 120.500 -0.006 0.000 2.195 360 R HA 0.224 4.564 4.340 0.000 0.000 0.197 360 R C 2.035 178.336 176.300 0.001 0.000 0.990 360 R CA 0.800 56.898 56.100 -0.004 0.000 1.048 360 R CB -0.027 30.272 30.300 -0.001 0.000 0.997 360 R HN 0.383 nan 8.270 nan 0.000 0.502 361 A N 0.276 123.099 122.820 0.005 0.000 2.209 361 A HA -0.029 4.291 4.320 0.000 0.000 0.212 361 A C 1.772 179.359 177.584 0.004 0.000 1.158 361 A CA 0.839 52.880 52.037 0.008 0.000 0.742 361 A CB 0.040 19.048 19.000 0.013 0.000 0.790 361 A HN 0.205 nan 8.150 nan 0.000 0.472 362 V N -1.346 118.568 119.914 -0.000 0.000 3.212 362 V HA 0.006 4.126 4.120 0.000 0.000 0.244 362 V C 1.579 177.670 176.094 -0.006 0.000 1.151 362 V CA 1.246 63.544 62.300 -0.003 0.000 1.119 362 V CB 0.028 31.848 31.823 -0.005 0.000 0.838 362 V HN 0.398 nan 8.190 nan 0.000 0.470 363 D N 0.788 121.184 120.400 -0.008 0.000 2.178 363 D HA -0.125 4.515 4.640 0.000 0.000 0.201 363 D C 1.383 177.679 176.300 -0.006 0.000 0.980 363 D CA 1.649 55.643 54.000 -0.010 0.000 0.842 363 D CB 0.022 40.814 40.800 -0.012 0.000 0.948 363 D HN 0.552 nan 8.370 nan 0.000 0.472 364 D N -0.880 119.518 120.400 -0.003 0.000 2.369 364 D HA 0.149 4.789 4.640 0.000 0.000 0.211 364 D C 1.474 177.775 176.300 0.002 0.000 1.077 364 D CA 0.108 54.108 54.000 -0.000 0.000 0.842 364 D CB 0.609 41.410 40.800 0.003 0.000 0.947 364 D HN 0.102 nan 8.370 nan 0.000 0.509 365 A N 0.633 123.454 122.820 0.001 0.000 1.997 365 A HA 0.039 4.359 4.320 0.000 0.000 0.212 365 A C 2.308 179.891 177.584 -0.001 0.000 1.178 365 A CA 0.272 52.310 52.037 0.001 0.000 0.698 365 A CB -0.288 18.713 19.000 0.002 0.000 0.842 365 A HN 0.074 nan 8.150 nan 0.000 0.458 366 V N 0.289 120.201 119.914 -0.004 0.000 2.324 366 V HA -0.221 3.900 4.120 0.000 0.000 0.250 366 V C 2.689 178.780 176.094 -0.005 0.000 1.060 366 V CA 2.154 64.451 62.300 -0.006 0.000 1.042 366 V CB -1.533 30.284 31.823 -0.010 0.000 0.650 366 V HN 0.540 nan 8.190 nan 0.000 0.450 367 G N 0.290 109.088 108.800 -0.004 0.000 2.396 367 G HA2 -0.135 3.825 3.960 0.000 0.000 0.214 367 G HA3 -0.135 3.825 3.960 0.000 0.000 0.214 367 G C 1.733 176.633 174.900 -0.001 0.000 1.166 367 G CA 1.111 46.209 45.100 -0.003 0.000 0.793 367 G HN 0.581 nan 8.290 nan 0.000 0.533 368 V N -0.516 119.398 119.914 0.001 0.000 2.594 368 V HA -0.106 4.014 4.120 0.000 0.000 0.253 368 V C 2.547 178.643 176.094 0.002 0.000 1.069 368 V CA 1.782 64.084 62.300 0.002 0.000 1.082 368 V CB -0.623 31.203 31.823 0.005 0.000 0.680 368 V HN 0.125 nan 8.190 nan 0.000 0.469 369 V N 1.748 121.663 119.914 0.001 0.000 2.591 369 V HA 0.051 4.171 4.120 0.000 0.000 0.249 369 V C 2.959 179.053 176.094 -0.000 0.000 1.053 369 V CA 1.721 64.021 62.300 0.001 0.000 1.068 369 V CB -1.318 30.505 31.823 -0.000 0.000 0.689 369 V HN 0.621 nan 8.190 nan 0.000 0.462 370 G N 0.312 109.111 108.800 -0.002 0.000 2.485 370 G HA2 -0.337 3.623 3.960 0.000 0.000 0.221 370 G HA3 -0.337 3.623 3.960 0.000 0.000 0.221 370 G C 1.792 176.692 174.900 -0.001 0.000 1.115 370 G CA 1.489 46.588 45.100 -0.002 0.000 0.751 370 G HN 0.720 nan 8.290 nan 0.000 0.567 371 C N -0.411 118.889 119.300 0.000 0.000 2.486 371 C HA 0.070 4.530 4.460 0.000 0.000 0.279 371 C C 3.111 178.102 174.990 0.002 0.000 1.302 371 C CA 1.707 60.726 59.018 0.001 0.000 1.720 371 C CB -0.966 26.775 27.740 0.002 0.000 2.030 371 C HN 0.419 nan 8.230 nan 0.000 0.490 372 T N -0.315 114.241 114.554 0.002 0.000 3.055 372 T HA 0.105 4.455 4.350 0.000 0.000 0.265 372 T C 1.630 176.331 174.700 0.002 0.000 1.111 372 T CA 1.262 63.363 62.100 0.003 0.000 1.118 372 T CB -0.632 68.238 68.868 0.004 0.000 0.909 372 T HN 0.630 nan 8.240 nan 0.000 0.501 373 I N 0.692 121.263 120.570 0.001 0.000 2.617 373 I HA 0.009 4.179 4.170 0.000 0.000 0.256 373 I C 2.375 178.493 176.117 0.001 0.000 1.167 373 I CA 1.160 62.461 61.300 0.001 0.000 1.469 373 I CB -0.360 37.640 38.000 -0.000 0.000 1.098 373 I HN 0.432 nan 8.210 nan 0.000 0.436 374 E N 0.177 120.377 120.200 0.000 0.000 2.216 374 E HA 0.025 4.375 4.350 0.000 0.000 0.192 374 E C -0.033 176.567 176.600 0.000 0.000 0.973 374 E CA 0.421 56.821 56.400 0.000 0.000 0.851 374 E CB 0.407 30.107 29.700 -0.000 0.000 0.804 374 E HN 0.346 nan 8.360 nan 0.000 0.477 375 D N 0.154 120.555 120.400 0.001 0.000 2.471 375 D HA 0.145 4.785 4.640 0.000 0.000 0.245 375 D C 0.052 176.353 176.300 0.002 0.000 1.116 375 D CA -0.180 53.821 54.000 0.001 0.000 0.853 375 D CB 1.733 42.533 40.800 0.001 0.000 1.123 375 D HN 0.122 nan 8.370 nan 0.000 0.540 376 G N 2.271 111.072 108.800 0.002 0.000 3.124 376 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 376 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 376 G C 0.920 175.822 174.900 0.004 0.000 1.181 376 G CA -0.206 44.896 45.100 0.003 0.000 0.803 376 G HN 0.224 nan 8.290 nan 0.000 0.529 377 R N 0.324 120.826 120.500 0.004 0.000 2.697 377 R HA 0.317 4.657 4.340 0.000 0.000 0.265 377 R C 0.323 176.627 176.300 0.008 0.000 1.009 377 R CA 0.394 56.498 56.100 0.006 0.000 1.099 377 R CB 0.282 30.585 30.300 0.006 0.000 0.965 377 R HN 0.423 nan 8.270 nan 0.000 0.428 378 I N -0.571 120.005 120.570 0.010 0.000 2.730 378 I HA 0.652 4.822 4.170 0.000 0.000 0.298 378 I C -1.250 174.878 176.117 0.018 0.000 1.089 378 I CA -1.067 60.241 61.300 0.013 0.000 1.041 378 I CB 2.324 40.332 38.000 0.012 0.000 1.235 378 I HN 0.282 nan 8.210 nan 0.000 0.423 379 V N 3.541 123.467 119.914 0.021 0.000 2.925 379 V HA 0.427 4.547 4.120 0.000 0.000 0.311 379 V C -0.102 176.013 176.094 0.035 0.000 1.104 379 V CA -0.369 61.949 62.300 0.029 0.000 0.954 379 V CB 2.674 34.512 31.823 0.025 0.000 1.022 379 V HN 0.910 nan 8.190 nan 0.000 0.427 380 S N 3.558 119.289 115.700 0.052 0.000 2.448 380 S HA 0.516 4.986 4.470 0.000 0.000 0.279 380 S C 0.368 175.002 174.600 0.058 0.000 1.195 380 S CA 0.007 58.245 58.200 0.063 0.000 1.051 380 S CB 0.878 64.146 63.200 0.113 0.000 0.948 380 S HN 1.035 nan 8.310 nan 0.000 0.493 381 G N 0.954 109.782 108.800 0.047 0.000 2.451 381 G HA2 0.538 4.498 3.960 0.000 0.000 0.303 381 G HA3 0.538 4.498 3.960 0.000 0.000 0.303 381 G C 0.735 175.665 174.900 0.049 0.000 1.166 381 G CA -0.287 44.838 45.100 0.041 0.000 0.884 381 G HN 1.281 nan 8.290 nan 0.000 0.514 382 G N -0.807 108.017 108.800 0.041 0.000 2.171 382 G HA2 0.181 4.141 3.960 0.000 0.000 0.238 382 G HA3 0.181 4.141 3.960 0.000 0.000 0.238 382 G C 0.970 175.892 174.900 0.036 0.000 1.039 382 G CA 0.363 45.485 45.100 0.037 0.000 0.759 382 G HN 2.010 nan 8.290 nan 0.000 0.501 383 G N 0.443 109.260 108.800 0.028 0.000 2.859 383 G HA2 0.201 4.161 3.960 0.000 0.000 0.327 383 G HA3 0.201 4.161 3.960 0.000 0.000 0.327 383 G C 1.472 176.390 174.900 0.031 0.000 0.283 383 G CA 1.122 46.236 45.100 0.024 0.000 1.236 383 G HN 1.352 nan 8.290 nan 0.000 0.291 384 S N 1.960 117.724 115.700 0.106 0.000 2.412 384 S HA -0.347 4.123 4.470 0.000 0.000 0.311 384 S C 2.584 177.069 174.600 -0.192 0.000 1.182 384 S CA 2.544 60.864 58.200 0.199 0.000 1.365 384 S CB -0.692 62.803 63.200 0.491 0.000 1.295 384 S HN 0.874 nan 8.310 nan 0.000 0.463 385 T N 2.043 116.553 114.554 -0.075 0.000 3.085 385 T HA 0.030 4.380 4.350 0.000 0.000 0.263 385 T C 1.513 176.154 174.700 -0.098 0.000 1.127 385 T CA 0.851 62.896 62.100 -0.091 0.000 1.103 385 T CB -0.161 68.693 68.868 -0.024 0.000 0.921 385 T HN 0.465 nan 8.240 nan 0.000 0.510 386 E N 2.319 122.467 120.200 -0.087 0.000 2.005 386 E HA -0.081 4.269 4.350 0.000 0.000 0.191 386 E C 2.719 179.268 176.600 -0.086 0.000 0.987 386 E CA 1.263 57.623 56.400 -0.067 0.000 0.814 386 E CB -1.272 28.402 29.700 -0.043 0.000 0.772 386 E HN 0.551 nan 8.360 nan 0.000 0.453 387 V N 0.300 120.146 119.914 -0.112 0.000 2.594 387 V HA -0.212 3.908 4.120 0.000 0.000 0.253 387 V C 2.286 178.289 176.094 -0.151 0.000 1.069 387 V CA 2.290 64.523 62.300 -0.111 0.000 1.082 387 V CB -0.649 31.124 31.823 -0.083 0.000 0.680 387 V HN 0.111 nan 8.190 nan 0.000 0.469 388 E N 0.823 120.866 120.200 -0.262 0.000 2.060 388 E HA -0.020 4.330 4.350 0.000 0.000 0.189 388 E C 2.015 178.544 176.600 -0.118 0.000 0.974 388 E CA 1.294 57.543 56.400 -0.251 0.000 0.808 388 E CB -0.441 29.012 29.700 -0.412 0.000 0.768 388 E HN 0.600 nan 8.360 nan 0.000 0.453 389 L N 0.589 121.749 121.223 -0.104 0.000 1.990 389 L HA -0.270 4.070 4.340 0.000 0.000 0.213 389 L C 2.673 179.516 176.870 -0.045 0.000 1.072 389 L CA 1.660 56.461 54.840 -0.064 0.000 0.755 389 L CB -0.975 41.057 42.059 -0.044 0.000 0.889 389 L HN 0.258 nan 8.230 nan 0.000 0.432 390 S N 0.973 116.647 115.700 -0.043 0.000 2.389 390 S HA -0.297 4.173 4.470 0.000 0.000 0.229 390 S C 1.955 176.550 174.600 -0.008 0.000 1.048 390 S CA 2.426 60.613 58.200 -0.022 0.000 1.117 390 S CB -0.314 62.867 63.200 -0.031 0.000 1.020 390 S HN 0.499 nan 8.310 nan 0.000 0.430 391 M N -0.787 118.805 119.600 -0.013 0.000 2.595 391 M HA 0.227 4.707 4.480 0.000 0.000 0.248 391 M C 1.832 178.139 176.300 0.012 0.000 1.119 391 M CA 0.959 56.261 55.300 0.003 0.000 1.079 391 M CB -0.270 32.332 32.600 0.003 0.000 1.472 391 M HN 0.149 nan 8.290 nan 0.000 0.501 392 K N 0.707 121.109 120.400 0.003 0.000 2.166 392 K HA 0.151 4.471 4.320 0.000 0.000 0.201 392 K C 1.837 178.464 176.600 0.044 0.000 1.052 392 K CA 0.605 56.900 56.287 0.014 0.000 0.969 392 K CB 0.251 32.743 32.500 -0.013 0.000 0.761 392 K HN 0.250 nan 8.250 nan 0.000 0.459 393 L N 0.599 121.841 121.223 0.031 0.000 2.446 393 L HA 0.045 4.385 4.340 0.000 0.000 0.219 393 L C 2.214 179.159 176.870 0.126 0.000 1.116 393 L CA 0.994 55.867 54.840 0.055 0.000 0.844 393 L CB -0.457 41.590 42.059 -0.018 0.000 0.970 393 L HN 0.112 nan 8.230 nan 0.000 0.457 394 R N 0.621 121.166 120.500 0.075 0.000 2.062 394 R HA -0.100 4.240 4.340 0.000 0.000 0.229 394 R C 1.813 178.147 176.300 0.057 0.000 1.128 394 R CA 1.218 57.352 56.100 0.057 0.000 0.960 394 R CB 0.134 30.454 30.300 0.033 0.000 0.855 394 R HN 0.277 nan 8.270 nan 0.000 0.432 395 E N -0.874 119.364 120.200 0.063 0.000 2.502 395 E HA -0.145 4.205 4.350 0.000 0.000 0.194 395 E C 0.748 177.388 176.600 0.068 0.000 1.062 395 E CA 0.314 56.744 56.400 0.049 0.000 0.867 395 E CB 0.246 29.969 29.700 0.039 0.000 0.888 395 E HN 0.453 nan 8.360 nan 0.000 0.510 396 Y N 0.979 121.269 120.300 -0.016 0.000 2.476 396 Y HA 0.186 4.736 4.550 -0.000 0.000 0.283 396 Y C 2.143 178.032 175.900 -0.018 0.000 1.109 396 Y CA 0.564 58.652 58.100 -0.020 0.000 1.246 396 Y CB -0.077 38.364 38.460 -0.031 0.000 1.068 396 Y HN -0.028 nan 8.280 nan 0.000 0.552 397 A N 1.039 123.829 122.820 -0.049 0.000 1.859 397 A HA -0.275 4.045 4.320 0.000 0.000 0.218 397 A C 1.996 179.492 177.584 -0.148 0.000 1.209 397 A CA 2.247 54.224 52.037 -0.099 0.000 0.639 397 A CB -0.913 18.089 19.000 0.003 0.000 0.835 397 A HN 0.604 nan 8.150 nan 0.000 0.450 398 E N -0.725 119.422 120.200 -0.088 0.000 2.463 398 E HA -0.089 4.261 4.350 0.000 0.000 0.201 398 E C 1.805 178.337 176.600 -0.113 0.000 1.045 398 E CA 0.435 56.789 56.400 -0.077 0.000 0.872 398 E CB -0.276 29.400 29.700 -0.040 0.000 0.797 398 E HN 0.669 nan 8.360 nan 0.000 0.538 399 G N 1.547 110.232 108.800 -0.191 0.000 2.459 399 G HA2 -0.121 3.839 3.960 0.000 0.000 0.213 399 G HA3 -0.121 3.839 3.960 0.000 0.000 0.213 399 G C 1.689 176.449 174.900 -0.234 0.000 1.155 399 G CA 0.328 45.298 45.100 -0.216 0.000 0.811 399 G HN 0.286 nan 8.290 nan 0.000 0.534 400 I N -2.514 117.872 120.570 -0.307 0.000 2.277 400 I HA 0.271 4.441 4.170 0.000 0.000 0.243 400 I C 1.003 177.052 176.117 -0.112 0.000 1.094 400 I CA 0.528 61.702 61.300 -0.210 0.000 1.393 400 I CB -0.508 37.346 38.000 -0.243 0.000 1.078 400 I HN 0.073 nan 8.210 nan 0.000 0.417 401 S N -0.040 115.609 115.700 -0.085 0.000 3.027 401 S HA 0.235 4.706 4.470 0.000 0.000 0.857 401 S C -0.046 174.535 174.600 -0.032 0.000 0.980 401 S CA 0.502 58.673 58.200 -0.049 0.000 1.337 401 S CB -1.136 62.039 63.200 -0.041 0.000 0.952 401 S HN 1.951 nan 8.310 nan 0.000 0.241 402 G N 4.509 113.296 108.800 -0.021 0.000 2.418 402 G HA2 -0.138 3.822 3.960 0.000 0.000 0.206 402 G HA3 -0.138 3.822 3.960 0.000 0.000 0.206 402 G C 0.110 175.006 174.900 -0.007 0.000 1.202 402 G CA 0.189 45.281 45.100 -0.014 0.000 1.061 402 G HN 0.992 nan 8.290 nan 0.000 0.563 403 R N 0.762 121.257 120.500 -0.008 0.000 2.240 403 R HA 0.101 4.441 4.340 0.000 0.000 0.203 403 R C 1.949 178.263 176.300 0.023 0.000 1.011 403 R CA 1.436 57.534 56.100 -0.004 0.000 1.007 403 R CB -0.060 30.222 30.300 -0.030 0.000 0.911 403 R HN 0.507 nan 8.270 nan 0.000 0.468 404 E N 1.464 121.681 120.200 0.029 0.000 2.268 404 E HA -0.170 4.180 4.350 0.000 0.000 0.195 404 E C 1.882 178.523 176.600 0.068 0.000 0.995 404 E CA 0.761 57.198 56.400 0.061 0.000 0.836 404 E CB -0.142 29.586 29.700 0.048 0.000 0.763 404 E HN 0.371 nan 8.360 nan 0.000 0.491 405 Q N 0.158 119.977 119.800 0.032 0.000 2.061 405 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 405 Q C 0.886 176.923 176.000 0.062 0.000 0.984 405 Q CA 1.344 57.160 55.803 0.021 0.000 0.846 405 Q CB 0.054 28.794 28.738 0.003 0.000 0.902 405 Q HN 0.301 nan 8.270 nan 0.000 0.421 406 L N -0.183 121.088 121.223 0.079 0.000 2.769 406 L HA 0.344 4.684 4.340 0.000 0.000 0.240 406 L C 1.401 178.382 176.870 0.186 0.000 1.163 406 L CA 0.316 55.212 54.840 0.094 0.000 0.962 406 L CB 0.593 42.687 42.059 0.058 0.000 1.258 406 L HN 0.168 nan 8.230 nan 0.000 0.513 407 A N 0.255 123.242 122.820 0.278 0.000 1.861 407 A HA -0.038 4.282 4.320 0.000 0.000 0.212 407 A C 2.272 180.016 177.584 0.268 0.000 1.199 407 A CA 1.358 53.800 52.037 0.675 0.000 0.613 407 A CB -0.698 18.684 19.000 0.636 0.000 0.846 407 A HN 0.190 nan 8.150 nan 0.000 0.446 408 V N -0.980 119.008 119.914 0.123 0.000 2.469 408 V HA -0.258 3.862 4.120 0.000 0.000 0.251 408 V C 2.176 178.290 176.094 0.035 0.000 1.064 408 V CA 2.259 64.579 62.300 0.033 0.000 1.066 408 V CB -0.999 30.899 31.823 0.124 0.000 0.667 408 V HN 0.509 nan 8.190 nan 0.000 0.461 409 R N 1.016 121.552 120.500 0.059 0.000 2.061 409 R HA 0.086 4.426 4.340 0.000 0.000 0.230 409 R C 2.688 179.013 176.300 0.042 0.000 1.140 409 R CA 1.583 57.715 56.100 0.052 0.000 0.940 409 R CB -0.968 29.365 30.300 0.054 0.000 0.839 409 R HN 0.581 nan 8.270 nan 0.000 0.429 410 A N 0.515 123.372 122.820 0.062 0.000 1.986 410 A HA -0.210 4.110 4.320 0.000 0.000 0.220 410 A C 1.884 179.446 177.584 -0.036 0.000 1.171 410 A CA 1.293 53.363 52.037 0.056 0.000 0.640 410 A CB -0.599 18.526 19.000 0.208 0.000 0.811 410 A HN 0.351 nan 8.150 nan 0.000 0.451 411 F N -0.292 119.458 119.950 -0.333 0.000 2.558 411 F HA 0.226 4.754 4.527 0.000 0.000 0.298 411 F C 2.253 177.940 175.800 -0.189 0.000 1.119 411 F CA 0.418 58.197 58.000 -0.369 0.000 1.451 411 F CB -0.036 38.580 39.000 -0.641 0.000 1.091 411 F HN 0.248 nan 8.300 nan 0.000 0.563 412 A N -1.083 121.773 122.820 0.059 0.000 1.973 412 A HA 0.034 4.354 4.320 0.000 0.000 0.210 412 A C 1.831 179.418 177.584 0.004 0.000 1.200 412 A CA 0.904 52.965 52.037 0.040 0.000 0.707 412 A CB -0.473 18.546 19.000 0.032 0.000 0.862 412 A HN 0.173 nan 8.150 nan 0.000 0.461 413 D N 0.319 120.720 120.400 0.001 0.000 2.264 413 D HA 0.054 4.694 4.640 0.000 0.000 0.208 413 D C 2.008 178.290 176.300 -0.031 0.000 0.966 413 D CA 1.171 55.165 54.000 -0.009 0.000 0.864 413 D CB -0.003 40.798 40.800 0.002 0.000 0.933 413 D HN 0.398 nan 8.370 nan 0.000 0.499 414 A N 0.279 123.065 122.820 -0.058 0.000 1.930 414 A HA -0.022 4.298 4.320 0.000 0.000 0.215 414 A C 2.124 179.646 177.584 -0.103 0.000 1.176 414 A CA 0.330 52.307 52.037 -0.100 0.000 0.632 414 A CB -0.638 18.267 19.000 -0.158 0.000 0.819 414 A HN 0.247 nan 8.150 nan 0.000 0.445 415 L N -0.260 120.910 121.223 -0.089 0.000 2.563 415 L HA -0.221 4.119 4.340 0.000 0.000 0.230 415 L C 2.129 178.973 176.870 -0.042 0.000 1.162 415 L CA 1.160 55.967 54.840 -0.055 0.000 0.812 415 L CB -0.639 41.413 42.059 -0.013 0.000 0.935 415 L HN 0.476 nan 8.230 nan 0.000 0.451 416 E N -0.440 119.736 120.200 -0.041 0.000 2.216 416 E HA -0.085 4.265 4.350 0.000 0.000 0.192 416 E C 2.223 178.805 176.600 -0.031 0.000 0.973 416 E CA 0.496 56.877 56.400 -0.031 0.000 0.851 416 E CB 0.238 29.924 29.700 -0.024 0.000 0.804 416 E HN 0.297 nan 8.360 nan 0.000 0.477 417 V N 1.779 121.671 119.914 -0.038 0.000 2.688 417 V HA -0.221 3.899 4.120 0.000 0.000 0.256 417 V C 1.981 178.055 176.094 -0.033 0.000 1.084 417 V CA 1.086 63.365 62.300 -0.035 0.000 1.103 417 V CB -0.318 31.481 31.823 -0.040 0.000 0.688 417 V HN 0.252 nan 8.190 nan 0.000 0.480 418 I N 0.386 120.935 120.570 -0.034 0.000 2.193 418 I HA -0.029 4.141 4.170 0.000 0.000 0.240 418 I C -0.163 175.940 176.117 -0.024 0.000 1.084 418 I CA 1.674 62.957 61.300 -0.029 0.000 1.365 418 I CB -1.647 36.337 38.000 -0.027 0.000 1.064 418 I HN 0.349 nan 8.210 nan 0.000 0.410 419 P HA -0.067 nan 4.420 nan 0.000 0.233 419 P C 1.431 178.720 177.300 -0.019 0.000 1.167 419 P CA 0.858 63.948 63.100 -0.017 0.000 0.770 419 P CB -0.039 31.654 31.700 -0.012 0.000 0.837 420 R N 0.208 120.696 120.500 -0.020 0.000 2.070 420 R HA -0.141 4.199 4.340 0.000 0.000 0.232 420 R C 2.254 178.540 176.300 -0.023 0.000 1.138 420 R CA 2.691 58.779 56.100 -0.020 0.000 0.936 420 R CB -1.344 28.944 30.300 -0.020 0.000 0.839 420 R HN 0.181 nan 8.270 nan 0.000 0.429 421 T N -0.644 113.895 114.554 -0.025 0.000 2.746 421 T HA -0.105 4.245 4.350 0.000 0.000 0.267 421 T C 2.037 176.718 174.700 -0.031 0.000 1.039 421 T CA 1.473 63.558 62.100 -0.026 0.000 1.142 421 T CB -0.484 68.370 68.868 -0.025 0.000 0.866 421 T HN 0.251 nan 8.240 nan 0.000 0.444 422 L N 1.170 122.373 121.223 -0.032 0.000 2.034 422 L HA -0.186 4.154 4.340 0.000 0.000 0.217 422 L C 3.348 180.188 176.870 -0.050 0.000 1.077 422 L CA 1.822 56.637 54.840 -0.042 0.000 0.769 422 L CB -0.972 41.064 42.059 -0.038 0.000 0.890 422 L HN 0.476 nan 8.230 nan 0.000 0.435 423 A N -0.659 122.137 122.820 -0.041 0.000 1.854 423 A HA -0.194 4.126 4.320 0.000 0.000 0.214 423 A C 2.176 179.737 177.584 -0.039 0.000 1.192 423 A CA 1.316 53.329 52.037 -0.040 0.000 0.611 423 A CB -0.538 18.446 19.000 -0.027 0.000 0.832 423 A HN 0.389 nan 8.150 nan 0.000 0.442 424 E N -0.007 120.174 120.200 -0.032 0.000 2.136 424 E HA -0.268 4.082 4.350 0.000 0.000 0.202 424 E C 1.790 178.370 176.600 -0.033 0.000 1.019 424 E CA 1.591 57.974 56.400 -0.028 0.000 0.819 424 E CB -0.158 29.528 29.700 -0.024 0.000 0.739 424 E HN 0.589 nan 8.360 nan 0.000 0.458 425 N N 0.007 118.683 118.700 -0.040 0.000 2.051 425 N HA -0.176 4.564 4.740 0.000 0.000 0.192 425 N C 1.833 177.314 175.510 -0.050 0.000 1.049 425 N CA 1.286 54.311 53.050 -0.043 0.000 0.845 425 N CB -0.688 37.771 38.487 -0.046 0.000 1.031 425 N HN 0.190 nan 8.380 nan 0.000 0.425 426 A N 0.192 122.971 122.820 -0.069 0.000 1.858 426 A HA -0.338 3.982 4.320 0.000 0.000 0.282 426 A C 1.883 179.436 177.584 -0.051 0.000 2.983 426 A CA 3.681 55.673 52.037 -0.075 0.000 0.810 426 A CB -1.484 17.458 19.000 -0.096 0.000 0.802 426 A HN 0.801 nan 8.150 nan 0.000 0.593 427 G N -3.304 105.474 108.800 -0.038 0.000 2.254 427 G HA2 -0.204 3.756 3.960 0.000 0.000 0.225 427 G HA3 -0.204 3.756 3.960 0.000 0.000 0.225 427 G C 0.247 175.133 174.900 -0.023 0.000 1.003 427 G CA 0.405 45.489 45.100 -0.027 0.000 0.622 427 G HN 0.945 nan 8.290 nan 0.000 0.507 428 L N 0.705 121.912 121.223 -0.027 0.000 2.431 428 L HA 0.530 4.870 4.340 0.000 0.000 0.260 428 L C -0.195 176.665 176.870 -0.017 0.000 1.098 428 L CA -0.851 53.976 54.840 -0.021 0.000 0.800 428 L CB 0.923 42.968 42.059 -0.023 0.000 1.210 428 L HN 0.022 nan 8.230 nan 0.000 0.465 429 D N 0.583 120.975 120.400 -0.012 0.000 2.365 429 D HA 0.269 4.909 4.640 0.000 0.000 0.237 429 D C 0.806 177.100 176.300 -0.009 0.000 1.190 429 D CA 0.405 54.399 54.000 -0.010 0.000 0.867 429 D CB 1.526 42.322 40.800 -0.007 0.000 1.050 429 D HN 0.636 nan 8.370 nan 0.000 0.491 430 A N 5.392 128.205 122.820 -0.011 0.000 1.698 430 A HA -0.332 3.988 4.320 0.000 0.000 0.315 430 A C 2.201 179.782 177.584 -0.006 0.000 3.574 430 A CA 2.183 54.215 52.037 -0.009 0.000 0.952 430 A CB -1.198 17.795 19.000 -0.012 0.000 0.759 430 A HN 0.737 nan 8.150 nan 0.000 0.516 431 I N 0.774 121.341 120.570 -0.004 0.000 2.208 431 I HA -0.290 3.880 4.170 0.000 0.000 0.245 431 I C 2.381 178.498 176.117 0.001 0.000 1.097 431 I CA 2.828 64.126 61.300 -0.002 0.000 1.363 431 I CB -0.988 37.011 38.000 -0.002 0.000 1.051 431 I HN 0.763 nan 8.210 nan 0.000 0.413 432 E N 1.345 121.546 120.200 0.001 0.000 2.007 432 E HA -0.257 4.093 4.350 0.000 0.000 0.194 432 E C 2.264 178.867 176.600 0.005 0.000 0.999 432 E CA 1.692 58.093 56.400 0.003 0.000 0.811 432 E CB -0.634 29.068 29.700 0.004 0.000 0.762 432 E HN 0.517 nan 8.360 nan 0.000 0.450 433 I N 1.324 121.896 120.570 0.004 0.000 2.493 433 I HA -0.196 3.974 4.170 0.000 0.000 0.254 433 I C 2.274 178.398 176.117 0.011 0.000 1.160 433 I CA 0.530 61.834 61.300 0.007 0.000 1.445 433 I CB -0.172 37.830 38.000 0.003 0.000 1.086 433 I HN 0.178 nan 8.210 nan 0.000 0.433 434 L N -0.081 121.147 121.223 0.007 0.000 2.201 434 L HA -0.133 4.207 4.340 0.000 0.000 0.212 434 L C 2.455 179.333 176.870 0.013 0.000 1.105 434 L CA 1.393 56.239 54.840 0.009 0.000 0.775 434 L CB -0.788 41.272 42.059 0.002 0.000 0.913 434 L HN 0.169 nan 8.230 nan 0.000 0.440 435 V N -0.379 119.542 119.914 0.012 0.000 2.788 435 V HA -0.153 3.967 4.120 0.000 0.000 0.251 435 V C 2.385 178.490 176.094 0.018 0.000 1.068 435 V CA 1.094 63.402 62.300 0.014 0.000 1.090 435 V CB -0.234 31.595 31.823 0.010 0.000 0.710 435 V HN 0.426 nan 8.190 nan 0.000 0.467 436 K N -0.540 119.872 120.400 0.019 0.000 2.116 436 K HA -0.019 4.301 4.320 0.000 0.000 0.203 436 K C 2.015 178.636 176.600 0.034 0.000 1.052 436 K CA 0.972 57.272 56.287 0.022 0.000 0.952 436 K CB -0.073 32.438 32.500 0.018 0.000 0.729 436 K HN 0.299 nan 8.250 nan 0.000 0.446 437 V N 1.800 121.739 119.914 0.042 0.000 2.379 437 V HA -0.161 3.959 4.120 0.000 0.000 0.243 437 V C 2.408 178.562 176.094 0.099 0.000 1.035 437 V CA 1.384 63.727 62.300 0.071 0.000 1.035 437 V CB -0.427 31.438 31.823 0.070 0.000 0.673 437 V HN 0.324 nan 8.190 nan 0.000 0.457 438 R N 1.634 122.173 120.500 0.065 0.000 2.140 438 R HA -0.262 4.078 4.340 0.000 0.000 0.250 438 R C 1.993 178.331 176.300 0.064 0.000 1.150 438 R CA 2.432 58.565 56.100 0.055 0.000 0.966 438 R CB -0.646 29.669 30.300 0.026 0.000 0.869 438 R HN 0.426 nan 8.270 nan 0.000 0.445 439 A N 0.245 123.095 122.820 0.050 0.000 2.016 439 A HA 0.194 4.514 4.320 0.000 0.000 0.217 439 A C 2.250 179.861 177.584 0.044 0.000 1.162 439 A CA 1.068 53.129 52.037 0.041 0.000 0.662 439 A CB -0.331 18.685 19.000 0.027 0.000 0.812 439 A HN 0.588 nan 8.150 nan 0.000 0.450 440 A N -2.234 120.617 122.820 0.051 0.000 2.178 440 A HA 0.131 4.451 4.320 0.000 0.000 0.211 440 A C 1.667 179.269 177.584 0.031 0.000 1.157 440 A CA 1.092 53.145 52.037 0.026 0.000 0.780 440 A CB -0.572 18.432 19.000 0.008 0.000 0.828 440 A HN 0.698 nan 8.150 nan 0.000 0.476 441 H N -1.802 117.271 119.070 0.005 0.000 2.582 441 H HA 0.372 4.928 4.556 0.000 0.000 0.269 441 H C 2.008 177.339 175.328 0.005 0.000 0.962 441 H CA 0.691 56.742 56.048 0.005 0.000 1.230 441 H CB 0.382 30.147 29.762 0.005 0.000 1.445 441 H HN 0.469 nan 8.280 nan 0.000 0.528 442 A N -0.666 122.237 122.820 0.137 0.000 2.178 442 A HA 0.040 4.360 4.320 0.000 0.000 0.211 442 A C 1.934 179.550 177.584 0.054 0.000 1.157 442 A CA 0.758 52.845 52.037 0.083 0.000 0.780 442 A CB 0.117 19.149 19.000 0.053 0.000 0.828 442 A HN 0.295 nan 8.150 nan 0.000 0.476 443 S N 0.084 115.810 115.700 0.043 0.000 2.398 443 S HA -0.029 4.441 4.470 0.000 0.000 0.220 443 S C 1.504 176.108 174.600 0.006 0.000 1.046 443 S CA 1.132 59.344 58.200 0.020 0.000 0.953 443 S CB -0.307 62.901 63.200 0.015 0.000 0.856 443 S HN 0.702 nan 8.310 nan 0.000 0.506 444 N N 0.426 119.118 118.700 -0.013 0.000 2.280 444 N HA 0.354 5.094 4.740 0.000 0.000 0.192 444 N C 0.620 176.103 175.510 -0.045 0.000 1.109 444 N CA 0.306 53.332 53.050 -0.041 0.000 0.855 444 N CB 0.574 39.013 38.487 -0.079 0.000 0.974 444 N HN 0.448 nan 8.380 nan 0.000 0.482 445 G N 0.936 109.732 108.800 -0.008 0.000 2.796 445 G HA2 -0.357 3.603 3.960 0.000 0.000 0.226 445 G HA3 -0.357 3.603 3.960 0.000 0.000 0.226 445 G C 0.336 175.202 174.900 -0.057 0.000 1.381 445 G CA 0.198 45.306 45.100 0.013 0.000 0.867 445 G HN 0.450 nan 8.290 nan 0.000 0.552 446 N N 0.792 119.516 118.700 0.040 0.000 2.182 446 N HA 0.023 4.763 4.740 0.000 0.000 0.186 446 N C 1.960 177.524 175.510 0.090 0.000 1.036 446 N CA 1.778 54.929 53.050 0.169 0.000 0.850 446 N CB -0.423 38.123 38.487 0.098 0.000 1.010 446 N HN 1.408 nan 8.380 nan 0.000 0.432 447 K N 0.143 120.553 120.400 0.016 0.000 3.768 447 K HA -0.390 3.930 4.320 0.000 0.000 0.283 447 K C 0.074 176.628 176.600 -0.076 0.000 0.739 447 K CA 2.387 58.652 56.287 -0.038 0.000 1.134 447 K CB -2.037 30.456 32.500 -0.011 0.000 1.239 447 K HN 0.712 nan 8.250 nan 0.000 0.670 448 C N -2.814 116.345 119.300 -0.235 0.000 3.079 448 C HA 0.906 5.366 4.460 0.000 0.000 0.246 448 C C 0.264 175.007 174.990 -0.411 0.000 1.025 448 C CA -0.454 58.411 59.018 -0.255 0.000 1.081 448 C CB 0.463 28.132 27.740 -0.118 0.000 1.757 448 C HN 0.976 nan 8.230 nan 0.000 0.646 449 A N 0.459 123.097 122.820 -0.304 0.000 2.452 449 A HA 0.610 4.930 4.320 0.000 0.000 0.147 449 A C 1.097 178.725 177.584 0.073 0.000 1.842 449 A CA 0.899 52.737 52.037 -0.331 0.000 1.336 449 A CB -1.129 17.668 19.000 -0.337 0.000 1.524 449 A HN 1.530 nan 8.150 nan 0.000 0.369 450 G N -0.149 108.679 108.800 0.046 0.000 2.711 450 G HA2 0.461 4.421 3.960 0.000 0.000 0.186 450 G HA3 0.461 4.421 3.960 0.000 0.000 0.186 450 G C -0.124 174.813 174.900 0.063 0.000 1.635 450 G CA 0.584 45.731 45.100 0.079 0.000 1.065 450 G HN 0.720 nan 8.290 nan 0.000 0.545 451 L N -0.144 121.108 121.223 0.048 0.000 2.338 451 L HA 0.217 4.557 4.340 0.000 0.000 0.264 451 L C -0.605 176.278 176.870 0.021 0.000 1.502 451 L CA -0.571 54.287 54.840 0.030 0.000 0.751 451 L CB 0.839 42.911 42.059 0.021 0.000 0.926 451 L HN 0.432 nan 8.230 nan 0.000 0.528 452 N N 0.365 119.090 118.700 0.041 0.000 2.475 452 N HA 0.172 4.912 4.740 0.000 0.000 0.267 452 N C 1.218 176.725 175.510 -0.004 0.000 1.169 452 N CA 0.253 53.344 53.050 0.068 0.000 0.947 452 N CB 1.702 40.275 38.487 0.144 0.000 1.061 452 N HN 0.294 nan 8.380 nan 0.000 0.466 453 V N 3.402 123.242 119.914 -0.123 0.000 2.667 453 V HA -0.027 4.093 4.120 0.000 0.000 0.252 453 V C 1.355 177.235 176.094 -0.358 0.000 1.065 453 V CA 1.284 63.413 62.300 -0.284 0.000 1.083 453 V CB -1.024 30.517 31.823 -0.469 0.000 0.692 453 V HN 0.523 nan 8.190 nan 0.000 0.468 454 F N 1.731 121.683 119.950 0.003 0.000 2.031 454 F HA -0.045 4.483 4.527 0.000 0.000 0.295 454 F C 2.745 178.546 175.800 0.002 0.000 1.133 454 F CA 2.497 60.498 58.000 0.002 0.000 1.188 454 F CB -1.216 37.785 39.000 0.002 0.000 0.974 454 F HN 0.086 nan 8.300 nan 0.000 0.473 455 T N -1.147 113.520 114.554 0.189 0.000 3.051 455 T HA 0.182 4.532 4.350 0.000 0.000 0.255 455 T C 0.881 175.612 174.700 0.051 0.000 1.085 455 T CA 0.706 62.870 62.100 0.106 0.000 1.109 455 T CB -0.726 68.199 68.868 0.095 0.000 0.921 455 T HN 0.474 nan 8.240 nan 0.000 0.488 456 G N 1.943 110.765 108.800 0.037 0.000 2.381 456 G HA2 0.150 4.110 3.960 0.000 0.000 0.206 456 G HA3 0.150 4.110 3.960 0.000 0.000 0.206 456 G C -0.036 174.877 174.900 0.021 0.000 0.274 456 G CA 0.153 45.262 45.100 0.014 0.000 1.035 456 G HN 0.803 nan 8.290 nan 0.000 0.449 457 A N 1.657 124.493 122.820 0.027 0.000 2.791 457 A HA 0.908 5.228 4.320 0.000 0.000 0.309 457 A C -0.212 177.388 177.584 0.026 0.000 1.200 457 A CA 0.238 52.288 52.037 0.023 0.000 0.635 457 A CB 1.116 20.129 19.000 0.022 0.000 1.393 457 A HN 2.187 nan 8.150 nan 0.000 0.557 458 V N 1.121 121.048 119.914 0.022 0.000 2.427 458 V HA 0.670 4.790 4.120 0.000 0.000 0.286 458 V C -0.424 175.678 176.094 0.014 0.000 1.034 458 V CA 0.316 62.630 62.300 0.023 0.000 0.893 458 V CB 1.041 32.876 31.823 0.020 0.000 0.982 458 V HN 1.057 nan 8.190 nan 0.000 0.452 459 E N 3.900 124.109 120.200 0.016 0.000 2.317 459 E HA 0.402 4.752 4.350 0.000 0.000 0.270 459 E C -1.399 175.196 176.600 -0.009 0.000 0.885 459 E CA -0.892 55.514 56.400 0.010 0.000 0.760 459 E CB 1.867 31.586 29.700 0.032 0.000 1.227 459 E HN 0.586 nan 8.360 nan 0.000 0.434 460 D N 4.849 125.238 120.400 -0.018 0.000 2.344 460 D HA 0.011 4.651 4.640 0.000 0.000 0.253 460 D C 1.311 177.605 176.300 -0.009 0.000 1.255 460 D CA -0.330 53.651 54.000 -0.032 0.000 0.894 460 D CB 0.720 41.500 40.800 -0.033 0.000 1.067 460 D HN 0.580 nan 8.370 nan 0.000 0.492 461 M N 2.445 122.045 119.600 -0.001 0.000 2.144 461 M HA -0.177 4.303 4.480 0.000 0.000 0.260 461 M C 2.158 178.464 176.300 0.010 0.000 1.067 461 M CA 0.901 56.210 55.300 0.015 0.000 1.095 461 M CB -1.430 31.189 32.600 0.032 0.000 1.365 461 M HN 0.432 nan 8.290 nan 0.000 0.406 462 C N 0.880 120.181 119.300 0.001 0.000 2.514 462 C HA 0.010 4.470 4.460 0.000 0.000 0.271 462 C C 1.911 176.900 174.990 -0.002 0.000 1.399 462 C CA 0.480 59.498 59.018 0.001 0.000 1.765 462 C CB -0.895 26.844 27.740 -0.000 0.000 1.893 462 C HN 0.553 nan 8.230 nan 0.000 0.531 463 E N -0.293 119.903 120.200 -0.006 0.000 2.501 463 E HA 0.099 4.449 4.350 0.000 0.000 0.200 463 E C 0.926 177.523 176.600 -0.005 0.000 1.016 463 E CA -0.049 56.347 56.400 -0.006 0.000 0.921 463 E CB 0.195 29.890 29.700 -0.010 0.000 1.034 463 E HN 0.660 nan 8.360 nan 0.000 0.468 464 N N -1.024 117.675 118.700 -0.001 0.000 2.511 464 N HA 0.131 4.871 4.740 0.000 0.000 0.190 464 N C 1.241 176.749 175.510 -0.004 0.000 1.037 464 N CA 0.832 53.880 53.050 -0.003 0.000 0.895 464 N CB 0.857 39.347 38.487 0.005 0.000 1.149 464 N HN 0.156 nan 8.380 nan 0.000 0.437 465 G N -0.236 108.567 108.800 0.005 0.000 3.768 465 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 465 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 465 G C -0.321 174.587 174.900 0.013 0.000 1.058 465 G CA -0.078 45.025 45.100 0.005 0.000 0.890 465 G HN 0.251 nan 8.290 nan 0.000 0.393 466 V N 1.281 121.208 119.914 0.020 0.000 2.568 466 V HA 0.459 4.579 4.120 0.000 0.000 0.270 466 V C 0.638 176.751 176.094 0.031 0.000 0.963 466 V CA 0.264 62.584 62.300 0.033 0.000 1.161 466 V CB -0.352 31.504 31.823 0.054 0.000 0.969 466 V HN 1.731 nan 8.190 nan 0.000 0.464 467 V N 3.455 123.384 119.914 0.026 0.000 3.282 467 V HA 0.763 4.883 4.120 0.000 0.000 0.295 467 V C -0.943 175.165 176.094 0.022 0.000 1.451 467 V CA -0.404 61.912 62.300 0.027 0.000 1.062 467 V CB 2.646 34.483 31.823 0.023 0.000 1.128 467 V HN 1.054 nan 8.190 nan 0.000 0.456 468 E N 3.225 123.438 120.200 0.022 0.000 2.256 468 E HA 0.685 5.036 4.350 0.000 0.000 0.267 468 E C -2.913 173.697 176.600 0.015 0.000 0.892 468 E CA -2.322 54.089 56.400 0.019 0.000 0.775 468 E CB 2.088 31.799 29.700 0.020 0.000 1.207 468 E HN 0.533 nan 8.360 nan 0.000 0.420 469 P HA -0.067 nan 4.420 nan 0.000 0.273 469 P C 0.326 177.632 177.300 0.010 0.000 1.258 469 P CA -0.294 62.812 63.100 0.010 0.000 0.802 469 P CB 0.969 32.673 31.700 0.008 0.000 1.040 470 L N -0.161 121.067 121.223 0.008 0.000 2.470 470 L HA 0.052 4.392 4.340 0.000 0.000 0.219 470 L C 2.486 179.359 176.870 0.005 0.000 1.071 470 L CA 0.404 55.248 54.840 0.006 0.000 0.850 470 L CB -0.427 41.635 42.059 0.006 0.000 1.040 470 L HN 0.382 nan 8.230 nan 0.000 0.475 471 R N 1.277 121.779 120.500 0.005 0.000 2.200 471 R HA -0.150 4.190 4.340 0.000 0.000 0.234 471 R C 1.784 178.087 176.300 0.006 0.000 1.127 471 R CA 2.139 58.241 56.100 0.004 0.000 0.989 471 R CB -1.112 29.190 30.300 0.003 0.000 0.869 471 R HN 0.389 nan 8.270 nan 0.000 0.459 472 V N -0.772 119.146 119.914 0.007 0.000 2.331 472 V HA 0.040 4.160 4.120 0.000 0.000 0.242 472 V C 2.158 178.257 176.094 0.009 0.000 1.034 472 V CA 1.065 63.370 62.300 0.008 0.000 1.027 472 V CB -0.354 31.475 31.823 0.009 0.000 0.667 472 V HN 0.053 nan 8.190 nan 0.000 0.457 473 K N 1.021 121.426 120.400 0.009 0.000 2.217 473 K HA -0.026 4.294 4.320 0.000 0.000 0.202 473 K C 2.312 178.917 176.600 0.009 0.000 1.051 473 K CA 1.774 58.066 56.287 0.009 0.000 0.952 473 K CB -0.452 32.053 32.500 0.007 0.000 0.736 473 K HN 0.820 nan 8.250 nan 0.000 0.453 474 T N -1.995 112.563 114.554 0.007 0.000 3.035 474 T HA -0.049 4.301 4.350 0.000 0.000 0.259 474 T C 1.897 176.602 174.700 0.008 0.000 1.078 474 T CA 0.586 62.689 62.100 0.005 0.000 1.132 474 T CB 0.261 69.130 68.868 0.001 0.000 0.900 474 T HN -0.033 nan 8.240 nan 0.000 0.480 475 Q N 1.620 121.426 119.800 0.010 0.000 2.178 475 Q HA 0.469 4.809 4.340 0.000 0.000 0.195 475 Q C 2.474 178.484 176.000 0.018 0.000 0.960 475 Q CA 1.428 57.239 55.803 0.012 0.000 0.843 475 Q CB -0.906 27.838 28.738 0.010 0.000 0.927 475 Q HN 0.491 nan 8.270 nan 0.000 0.487 476 A N 1.154 123.983 122.820 0.016 0.000 1.908 476 A HA -0.145 4.175 4.320 0.000 0.000 0.218 476 A C 1.996 179.596 177.584 0.027 0.000 1.181 476 A CA 1.570 53.618 52.037 0.018 0.000 0.627 476 A CB -0.837 18.171 19.000 0.013 0.000 0.818 476 A HN 0.479 nan 8.150 nan 0.000 0.445 477 I N -0.132 120.459 120.570 0.036 0.000 2.099 477 I HA -0.310 3.860 4.170 0.000 0.000 0.239 477 I C 2.701 178.864 176.117 0.076 0.000 1.066 477 I CA 1.859 63.197 61.300 0.063 0.000 1.324 477 I CB -1.690 36.350 38.000 0.066 0.000 1.037 477 I HN 0.517 nan 8.210 nan 0.000 0.401 478 Q N 0.581 120.411 119.800 0.050 0.000 1.985 478 Q HA -0.193 4.147 4.340 0.000 0.000 0.207 478 Q C 2.381 178.413 176.000 0.053 0.000 0.996 478 Q CA 2.086 57.916 55.803 0.045 0.000 0.851 478 Q CB -0.406 28.345 28.738 0.023 0.000 0.921 478 Q HN 0.331 nan 8.270 nan 0.000 0.418 479 S N -0.048 115.675 115.700 0.039 0.000 2.474 479 S HA -0.044 4.426 4.470 0.000 0.000 0.235 479 S C 1.769 176.393 174.600 0.041 0.000 0.997 479 S CA 0.739 58.960 58.200 0.035 0.000 0.949 479 S CB -0.091 63.123 63.200 0.024 0.000 0.766 479 S HN 0.458 nan 8.310 nan 0.000 0.517 480 A N 1.092 123.941 122.820 0.049 0.000 1.911 480 A HA 0.409 4.729 4.320 0.000 0.000 0.212 480 A C 2.295 179.927 177.584 0.079 0.000 1.189 480 A CA 1.096 53.162 52.037 0.049 0.000 0.639 480 A CB -0.945 18.076 19.000 0.036 0.000 0.839 480 A HN 0.469 nan 8.150 nan 0.000 0.449 481 A N 0.149 123.050 122.820 0.134 0.000 1.940 481 A HA -0.174 4.146 4.320 0.000 0.000 0.219 481 A C 1.763 179.468 177.584 0.202 0.000 1.176 481 A CA 1.720 53.903 52.037 0.242 0.000 0.631 481 A CB -0.405 18.790 19.000 0.324 0.000 0.814 481 A HN 0.625 nan 8.150 nan 0.000 0.446 482 E N -1.040 119.232 120.200 0.121 0.000 2.481 482 E HA 0.043 4.393 4.350 0.000 0.000 0.198 482 E C 1.730 178.370 176.600 0.067 0.000 1.027 482 E CA 0.455 56.908 56.400 0.088 0.000 0.900 482 E CB 0.238 29.975 29.700 0.062 0.000 0.993 482 E HN 0.574 nan 8.360 nan 0.000 0.482 483 S N 0.821 116.559 115.700 0.063 0.000 2.371 483 S HA -0.086 4.384 4.470 0.000 0.000 0.219 483 S C 2.116 176.747 174.600 0.051 0.000 1.040 483 S CA 1.443 59.671 58.200 0.047 0.000 0.958 483 S CB -0.063 63.160 63.200 0.038 0.000 0.860 483 S HN 0.310 nan 8.310 nan 0.000 0.487 484 T N -0.053 114.539 114.554 0.064 0.000 3.188 484 T HA 0.239 4.589 4.350 0.000 0.000 0.250 484 T C 1.041 175.787 174.700 0.077 0.000 1.077 484 T CA 0.586 62.721 62.100 0.058 0.000 0.967 484 T CB -0.164 68.729 68.868 0.042 0.000 1.006 484 T HN 0.757 nan 8.240 nan 0.000 0.552 485 E N 0.123 120.381 120.200 0.095 0.000 2.431 485 E HA 0.192 4.542 4.350 0.000 0.000 0.200 485 E C 2.074 178.704 176.600 0.049 0.000 0.995 485 E CA -0.261 56.187 56.400 0.079 0.000 0.915 485 E CB -0.225 29.543 29.700 0.114 0.000 0.930 485 E HN 0.410 nan 8.360 nan 0.000 0.496 486 M N 2.317 121.944 119.600 0.045 0.000 2.200 486 M HA -0.147 4.333 4.480 0.000 0.000 0.261 486 M C 2.136 178.452 176.300 0.026 0.000 1.074 486 M CA 1.915 57.233 55.300 0.030 0.000 1.098 486 M CB -0.441 32.175 32.600 0.027 0.000 1.268 486 M HN 0.345 nan 8.290 nan 0.000 0.432 487 L N 0.386 121.625 121.223 0.027 0.000 2.483 487 L HA -0.197 4.143 4.340 0.000 0.000 0.224 487 L C 2.001 178.884 176.870 0.022 0.000 1.135 487 L CA 1.440 56.295 54.840 0.024 0.000 0.790 487 L CB -1.430 40.641 42.059 0.021 0.000 0.911 487 L HN 0.401 nan 8.230 nan 0.000 0.445 488 L N -0.914 120.321 121.223 0.020 0.000 2.240 488 L HA -0.025 4.315 4.340 0.000 0.000 0.211 488 L C 2.576 179.452 176.870 0.010 0.000 1.106 488 L CA 1.322 56.167 54.840 0.010 0.000 0.793 488 L CB -0.051 42.004 42.059 -0.007 0.000 0.927 488 L HN 0.407 nan 8.230 nan 0.000 0.446 489 R N -1.517 118.991 120.500 0.013 0.000 2.320 489 R HA 0.287 4.627 4.340 0.000 0.000 0.193 489 R C 0.575 176.882 176.300 0.011 0.000 0.885 489 R CA -0.426 55.682 56.100 0.012 0.000 1.085 489 R CB -0.154 30.154 30.300 0.013 0.000 1.253 489 R HN -0.020 nan 8.270 nan 0.000 0.636 490 I N 5.092 125.668 120.570 0.011 0.000 2.906 490 I HA -0.116 4.054 4.170 0.000 0.000 0.301 490 I C -0.053 176.075 176.117 0.018 0.000 1.221 490 I CA 0.880 62.187 61.300 0.011 0.000 1.435 490 I CB 0.172 38.177 38.000 0.009 0.000 1.345 490 I HN 0.401 nan 8.210 nan 0.000 0.558 491 D N 5.208 125.618 120.400 0.018 0.000 2.992 491 D HA 0.228 4.868 4.640 0.000 0.000 0.372 491 D C -0.876 175.440 176.300 0.027 0.000 1.374 491 D CA -0.373 53.642 54.000 0.025 0.000 0.769 491 D CB 0.415 41.225 40.800 0.017 0.000 1.215 491 D HN 0.607 nan 8.370 nan 0.000 0.473 492 D N -0.186 120.233 120.400 0.032 0.000 2.614 492 D HA 0.282 4.922 4.640 0.000 0.000 0.203 492 D C -1.746 174.571 176.300 0.028 0.000 1.312 492 D CA -0.439 53.577 54.000 0.026 0.000 0.889 492 D CB 1.837 42.642 40.800 0.009 0.000 1.615 492 D HN -0.073 nan 8.370 nan 0.000 0.567 493 V N 4.819 124.756 119.914 0.038 0.000 2.488 493 V HA 0.436 4.556 4.120 0.000 0.000 0.293 493 V C -0.142 175.922 176.094 -0.050 0.000 1.027 493 V CA -0.660 61.647 62.300 0.011 0.000 0.862 493 V CB 1.524 33.385 31.823 0.063 0.000 1.008 493 V HN 0.544 nan 8.190 nan 0.000 0.428 494 I N 4.315 124.848 120.570 -0.062 0.000 2.347 494 I HA 0.733 4.903 4.170 0.000 0.000 0.283 494 I C 0.498 176.568 176.117 -0.078 0.000 1.058 494 I CA -0.201 61.049 61.300 -0.083 0.000 1.202 494 I CB 1.327 39.292 38.000 -0.059 0.000 1.386 494 I HN 0.674 nan 8.210 nan 0.000 0.475 495 A N 4.785 127.545 122.820 -0.100 0.000 2.288 495 A HA 1.014 5.334 4.320 0.000 0.000 0.328 495 A C -0.122 177.425 177.584 -0.061 0.000 1.123 495 A CA -0.051 51.944 52.037 -0.071 0.000 0.861 495 A CB 1.868 20.839 19.000 -0.048 0.000 1.272 495 A HN 0.810 nan 8.150 nan 0.000 0.490 496 A N -0.421 122.377 122.820 -0.037 0.000 5.168 496 A HA 0.752 5.072 4.320 0.000 0.000 0.202 496 A C -0.729 176.846 177.584 -0.014 0.000 0.857 496 A CA 0.274 52.295 52.037 -0.026 0.000 0.757 496 A CB 0.078 19.062 19.000 -0.026 0.000 1.957 496 A HN 0.911 nan 8.150 nan 0.000 0.959 497 E N 0.000 120.193 120.200 -0.012 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 497 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440