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_D 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 0.000 176.087 176.094 -0.011 0.000 1.182 7 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 7 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 8 L N 0.671 121.886 121.223 -0.013 0.000 2.044 8 L HA 0.246 4.586 4.340 0.000 0.000 0.218 8 L C -0.856 176.004 176.870 -0.018 0.000 1.133 8 L CA 0.749 55.579 54.840 -0.017 0.000 1.742 8 L CB -0.796 41.249 42.059 -0.023 0.000 1.442 8 L HN 0.300 nan 8.230 nan 0.000 0.839 9 P HA -0.051 nan 4.420 nan 0.000 0.335 9 P C -0.889 176.401 177.300 -0.016 0.000 1.416 9 P CA -0.332 62.757 63.100 -0.018 0.000 0.828 9 P CB 0.009 31.701 31.700 -0.013 0.000 1.966 10 E N 0.358 120.550 120.200 -0.014 0.000 1.845 10 E HA -0.313 4.037 4.350 0.000 0.000 0.361 10 E C 0.178 176.769 176.600 -0.016 0.000 0.643 10 E CA 1.325 57.717 56.400 -0.013 0.000 1.340 10 E CB -0.620 29.075 29.700 -0.009 0.000 0.460 10 E HN 0.431 nan 8.360 nan 0.000 0.402 11 N N -0.395 118.295 118.700 -0.017 0.000 1.900 11 N HA -0.202 4.538 4.740 0.000 0.000 0.204 11 N C -0.336 175.159 175.510 -0.026 0.000 1.591 11 N CA 1.075 54.115 53.050 -0.017 0.000 3.865 11 N CB -0.892 37.589 38.487 -0.009 0.000 0.830 11 N HN 0.342 nan 8.380 nan 0.000 0.485 12 M N 2.191 121.769 119.600 -0.036 0.000 2.290 12 M HA 0.089 4.569 4.480 0.000 0.000 0.356 12 M C 0.165 176.417 176.300 -0.080 0.000 1.448 12 M CA 1.229 56.494 55.300 -0.060 0.000 0.993 12 M CB 0.290 32.860 32.600 -0.050 0.000 1.934 12 M HN 0.079 nan 8.290 nan 0.000 0.461 13 K N 2.126 122.449 120.400 -0.130 0.000 2.095 13 K HA 0.617 4.937 4.320 0.000 0.000 0.252 13 K C -0.516 175.891 176.600 -0.322 0.000 0.977 13 K CA -0.741 55.412 56.287 -0.222 0.000 0.900 13 K CB 1.298 33.629 32.500 -0.282 0.000 1.060 13 K HN 0.494 nan 8.250 nan 0.000 0.449 14 R N 1.535 121.797 120.500 -0.397 0.000 2.670 14 R HA 0.405 4.745 4.340 0.000 0.000 0.289 14 R C -1.670 174.341 176.300 -0.481 0.000 0.965 14 R CA -0.431 55.465 56.100 -0.340 0.000 0.899 14 R CB 0.891 31.108 30.300 -0.139 0.000 1.173 14 R HN 0.586 nan 8.270 nan 0.000 0.456 15 Y N 4.283 124.593 120.300 0.017 0.000 2.401 15 Y HA 0.284 4.834 4.550 -0.001 0.000 0.330 15 Y C 0.147 176.053 175.900 0.011 0.000 1.071 15 Y CA -1.297 56.813 58.100 0.016 0.000 1.049 15 Y CB 1.861 40.334 38.460 0.022 0.000 1.239 15 Y HN 0.400 nan 8.280 nan 0.000 0.437 16 M N 1.170 120.871 119.600 0.169 0.000 2.154 16 M HA 0.827 5.307 4.480 0.000 0.000 0.251 16 M C 0.982 177.332 176.300 0.084 0.000 1.200 16 M CA 0.264 55.627 55.300 0.104 0.000 0.967 16 M CB 0.295 32.938 32.600 0.072 0.000 1.362 16 M HN 0.829 nan 8.290 nan 0.000 0.522 17 G N 0.590 109.421 108.800 0.052 0.000 2.566 17 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 17 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 17 G C 0.470 175.375 174.900 0.009 0.000 1.225 17 G CA 0.718 45.836 45.100 0.030 0.000 0.966 17 G HN 1.063 nan 8.290 nan 0.000 0.560 18 R N 0.993 121.490 120.500 -0.006 0.000 2.276 18 R HA -0.013 4.327 4.340 0.000 0.000 0.203 18 R C 1.868 178.128 176.300 -0.067 0.000 1.017 18 R CA 1.726 57.808 56.100 -0.029 0.000 1.010 18 R CB -0.488 29.796 30.300 -0.027 0.000 0.900 18 R HN 0.620 nan 8.270 nan 0.000 0.469 19 D N 1.255 121.607 120.400 -0.081 0.000 2.097 19 D HA -0.149 4.491 4.640 0.000 0.000 0.195 19 D C 1.759 177.938 176.300 -0.201 0.000 0.989 19 D CA 1.592 55.464 54.000 -0.213 0.000 0.827 19 D CB -0.297 40.336 40.800 -0.279 0.000 0.966 19 D HN 0.344 nan 8.370 nan 0.000 0.456 20 A N 0.660 123.476 122.820 -0.006 0.000 1.898 20 A HA -0.195 4.125 4.320 0.000 0.000 0.216 20 A C 2.230 179.822 177.584 0.013 0.000 1.181 20 A CA 1.405 53.482 52.037 0.067 0.000 0.620 20 A CB -0.594 18.461 19.000 0.091 0.000 0.819 20 A HN 0.126 nan 8.150 nan 0.000 0.442 21 Q N -0.809 118.983 119.800 -0.012 0.000 2.020 21 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 21 Q C 2.365 178.354 176.000 -0.019 0.000 0.982 21 Q CA 1.645 57.439 55.803 -0.015 0.000 0.838 21 Q CB -0.250 28.476 28.738 -0.020 0.000 0.899 21 Q HN 0.614 nan 8.270 nan 0.000 0.423 22 R N 0.275 120.754 120.500 -0.035 0.000 2.159 22 R HA -0.235 4.105 4.340 0.000 0.000 0.249 22 R C 1.908 178.202 176.300 -0.010 0.000 1.136 22 R CA 2.133 58.211 56.100 -0.037 0.000 0.951 22 R CB -0.290 29.971 30.300 -0.064 0.000 0.876 22 R HN 0.347 nan 8.270 nan 0.000 0.440 23 M N -0.060 119.536 119.600 -0.006 0.000 2.394 23 M HA -0.084 4.396 4.480 0.000 0.000 0.264 23 M C 1.571 177.962 176.300 0.152 0.000 1.073 23 M CA 1.264 56.631 55.300 0.111 0.000 1.111 23 M CB -0.548 32.192 32.600 0.235 0.000 1.401 23 M HN 0.341 nan 8.290 nan 0.000 0.448 24 N N 0.507 119.238 118.700 0.052 0.000 2.220 24 N HA -0.067 4.673 4.740 0.000 0.000 0.182 24 N C 1.627 177.150 175.510 0.022 0.000 1.023 24 N CA 0.508 53.560 53.050 0.003 0.000 0.856 24 N CB 0.109 38.578 38.487 -0.031 0.000 0.997 24 N HN 0.033 nan 8.380 nan 0.000 0.429 25 I N 2.105 122.680 120.570 0.008 0.000 2.065 25 I HA -0.304 3.866 4.170 0.000 0.000 0.236 25 I C 2.274 178.400 176.117 0.014 0.000 1.028 25 I CA 1.176 62.474 61.300 -0.003 0.000 1.299 25 I CB -0.777 37.217 38.000 -0.010 0.000 1.015 25 I HN 0.176 nan 8.210 nan 0.000 0.396 26 L N -0.424 120.815 121.223 0.027 0.000 2.010 26 L HA -0.386 3.954 4.340 0.000 0.000 0.219 26 L C 2.479 179.382 176.870 0.056 0.000 1.077 26 L CA 1.870 56.729 54.840 0.033 0.000 0.773 26 L CB -0.692 41.387 42.059 0.034 0.000 0.892 26 L HN 0.459 nan 8.230 nan 0.000 0.436 27 A N -0.288 122.610 122.820 0.130 0.000 2.467 27 A HA -0.414 3.906 4.320 0.000 0.000 0.251 27 A C 2.094 179.709 177.584 0.052 0.000 2.121 27 A CA 2.875 54.985 52.037 0.120 0.000 1.025 27 A CB -1.902 17.226 19.000 0.213 0.000 0.632 27 A HN 0.609 nan 8.150 nan 0.000 0.490 28 G N -1.109 107.703 108.800 0.020 0.000 3.898 28 G HA2 -0.465 3.495 3.960 0.000 0.000 0.267 28 G HA3 -0.465 3.495 3.960 0.000 0.000 0.267 28 G C 1.405 176.298 174.900 -0.012 0.000 0.909 28 G CA 2.110 47.207 45.100 -0.005 0.000 0.790 28 G HN 0.815 nan 8.290 nan 0.000 1.411 29 R N -0.207 120.284 120.500 -0.015 0.000 2.226 29 R HA -0.083 4.257 4.340 0.000 0.000 0.246 29 R C 2.659 178.949 176.300 -0.016 0.000 1.161 29 R CA 1.474 57.561 56.100 -0.021 0.000 0.997 29 R CB -0.306 29.982 30.300 -0.020 0.000 0.870 29 R HN 0.579 nan 8.270 nan 0.000 0.465 30 I N -0.319 120.247 120.570 -0.007 0.000 2.368 30 I HA -0.180 3.990 4.170 0.000 0.000 0.238 30 I C 1.745 177.858 176.117 -0.006 0.000 1.076 30 I CA 0.485 61.782 61.300 -0.005 0.000 1.397 30 I CB -0.211 37.788 38.000 -0.000 0.000 1.141 30 I HN -0.018 nan 8.210 nan 0.000 0.430 31 I N 1.579 122.148 120.570 -0.001 0.000 2.231 31 I HA -0.363 3.807 4.170 0.000 0.000 0.251 31 I C 2.459 178.569 176.117 -0.011 0.000 1.076 31 I CA 2.057 63.355 61.300 -0.003 0.000 1.347 31 I CB -1.587 36.414 38.000 0.002 0.000 1.038 31 I HN 0.178 nan 8.210 nan 0.000 0.429 32 A N 0.995 123.805 122.820 -0.016 0.000 1.855 32 A HA -0.149 4.171 4.320 0.000 0.000 0.213 32 A C 2.272 179.843 177.584 -0.023 0.000 1.195 32 A CA 1.306 53.328 52.037 -0.024 0.000 0.610 32 A CB -0.899 18.081 19.000 -0.033 0.000 0.837 32 A HN 0.649 nan 8.150 nan 0.000 0.444 33 E N 0.230 120.417 120.200 -0.021 0.000 2.169 33 E HA -0.262 4.088 4.350 0.000 0.000 0.202 33 E C 1.785 178.376 176.600 -0.016 0.000 1.016 33 E CA 1.908 58.297 56.400 -0.019 0.000 0.817 33 E CB -1.165 28.524 29.700 -0.018 0.000 0.736 33 E HN 0.591 nan 8.360 nan 0.000 0.462 34 T N 1.415 115.961 114.554 -0.013 0.000 2.622 34 T HA -0.126 4.224 4.350 0.000 0.000 0.266 34 T C 1.761 176.454 174.700 -0.013 0.000 1.047 34 T CA 1.824 63.917 62.100 -0.011 0.000 1.159 34 T CB -0.397 68.466 68.868 -0.008 0.000 0.863 34 T HN 0.269 nan 8.240 nan 0.000 0.422 35 V N 1.559 121.464 119.914 -0.015 0.000 2.993 35 V HA 0.413 4.533 4.120 0.000 0.000 0.377 35 V C 1.570 177.652 176.094 -0.019 0.000 1.318 35 V CA -0.664 61.627 62.300 -0.015 0.000 1.312 35 V CB -0.932 30.883 31.823 -0.013 0.000 1.342 35 V HN 0.463 nan 8.190 nan 0.000 0.544 36 R N 0.302 120.789 120.500 -0.021 0.000 2.087 36 R HA 0.064 4.404 4.340 0.000 0.000 0.216 36 R C 2.000 178.286 176.300 -0.023 0.000 1.114 36 R CA 1.122 57.207 56.100 -0.025 0.000 1.002 36 R CB -1.079 29.205 30.300 -0.027 0.000 0.903 36 R HN 0.426 nan 8.270 nan 0.000 0.445 37 S N 1.324 117.012 115.700 -0.020 0.000 2.461 37 S HA -0.194 4.276 4.470 0.000 0.000 0.249 37 S C 1.745 176.335 174.600 -0.016 0.000 1.012 37 S CA 1.869 60.058 58.200 -0.018 0.000 0.982 37 S CB -0.721 62.470 63.200 -0.015 0.000 0.764 37 S HN 0.688 nan 8.310 nan 0.000 0.506 38 T N -0.626 113.919 114.554 -0.015 0.000 3.057 38 T HA 0.292 4.642 4.350 0.000 0.000 0.254 38 T C 0.511 175.203 174.700 -0.014 0.000 1.094 38 T CA -0.365 61.728 62.100 -0.012 0.000 1.088 38 T CB -0.445 68.418 68.868 -0.008 0.000 0.934 38 T HN 0.307 nan 8.240 nan 0.000 0.497 39 L N 2.588 123.800 121.223 -0.018 0.000 2.477 39 L HA 0.498 4.838 4.340 0.000 0.000 0.272 39 L C 0.684 177.539 176.870 -0.025 0.000 1.157 39 L CA 1.344 56.171 54.840 -0.021 0.000 0.889 39 L CB -0.676 41.372 42.059 -0.017 0.000 1.158 39 L HN 0.656 nan 8.230 nan 0.000 0.473 40 G N 3.968 112.754 108.800 -0.024 0.000 2.655 40 G HA2 -0.187 3.773 3.960 0.000 0.000 0.680 40 G HA3 -0.187 3.773 3.960 0.000 0.000 0.680 40 G C -1.816 173.058 174.900 -0.043 0.000 1.302 40 G CA -0.470 44.609 45.100 -0.035 0.000 0.872 40 G HN 0.488 nan 8.290 nan 0.000 0.540 41 P HA -0.044 nan 4.420 nan 0.000 0.219 41 P C 1.260 178.521 177.300 -0.065 0.000 1.144 41 P CA 1.728 64.768 63.100 -0.099 0.000 0.806 41 P CB 0.160 31.720 31.700 -0.233 0.000 0.771 42 K N -1.822 118.543 120.400 -0.058 0.000 2.609 42 K HA 0.357 4.677 4.320 0.000 0.000 0.195 42 K C 0.225 176.806 176.600 -0.032 0.000 1.144 42 K CA -0.026 56.230 56.287 -0.053 0.000 1.084 42 K CB 0.837 33.291 32.500 -0.076 0.000 0.877 42 K HN -0.008 nan 8.250 nan 0.000 0.540 43 G N 0.431 109.217 108.800 -0.022 0.000 2.519 43 G HA2 0.656 4.616 3.960 0.000 0.000 0.307 43 G HA3 0.656 4.616 3.960 0.000 0.000 0.307 43 G C -1.120 173.777 174.900 -0.005 0.000 1.266 43 G CA -0.357 44.734 45.100 -0.015 0.000 0.970 43 G HN -0.013 nan 8.290 nan 0.000 0.481 44 M N 0.219 119.816 119.600 -0.004 0.000 2.777 44 M HA 0.503 4.983 4.480 0.000 0.000 0.307 44 M C -0.497 175.805 176.300 0.002 0.000 1.228 44 M CA -1.203 54.097 55.300 0.001 0.000 0.871 44 M CB 1.816 34.415 32.600 -0.001 0.000 1.721 44 M HN 0.473 nan 8.290 nan 0.000 0.487 45 D N 0.702 121.106 120.400 0.005 0.000 2.414 45 D HA 0.541 5.181 4.640 0.000 0.000 0.251 45 D C -0.965 175.338 176.300 0.004 0.000 1.252 45 D CA 0.343 54.347 54.000 0.007 0.000 0.999 45 D CB 0.556 41.362 40.800 0.010 0.000 1.093 45 D HN 0.345 nan 8.370 nan 0.000 0.515 46 K N -0.225 120.178 120.400 0.005 0.000 2.542 46 K HA 0.395 4.715 4.320 0.000 0.000 0.259 46 K C -1.198 175.405 176.600 0.005 0.000 0.932 46 K CA -0.616 55.672 56.287 0.003 0.000 0.820 46 K CB 2.140 34.641 32.500 0.001 0.000 1.345 46 K HN 0.314 nan 8.250 nan 0.000 0.432 47 M N 4.274 123.876 119.600 0.003 0.000 2.036 47 M HA 0.289 4.769 4.480 0.000 0.000 0.337 47 M C -1.404 174.898 176.300 0.003 0.000 1.012 47 M CA -0.984 54.318 55.300 0.004 0.000 0.962 47 M CB 0.454 33.056 32.600 0.003 0.000 1.423 47 M HN 0.417 nan 8.290 nan 0.000 0.405 48 L N 5.136 126.361 121.223 0.004 0.000 2.417 48 L HA 0.564 4.904 4.340 0.000 0.000 0.268 48 L C -0.359 176.514 176.870 0.003 0.000 1.158 48 L CA -0.325 54.517 54.840 0.004 0.000 0.819 48 L CB 1.257 43.319 42.059 0.004 0.000 1.112 48 L HN 0.527 nan 8.230 nan 0.000 0.458 49 V N 1.076 120.992 119.914 0.003 0.000 2.711 49 V HA 0.337 4.457 4.120 0.000 0.000 0.304 49 V C -0.713 175.383 176.094 0.002 0.000 1.097 49 V CA -1.249 61.053 62.300 0.002 0.000 0.906 49 V CB 2.007 33.831 31.823 0.001 0.000 1.015 49 V HN 0.828 nan 8.190 nan 0.000 0.427 50 D N 1.753 122.155 120.400 0.003 0.000 2.340 50 D HA 0.250 4.890 4.640 0.000 0.000 0.251 50 D C 0.703 177.004 176.300 0.002 0.000 1.080 50 D CA -0.622 53.379 54.000 0.003 0.000 0.971 50 D CB 0.969 41.771 40.800 0.003 0.000 1.137 50 D HN 0.413 nan 8.370 nan 0.000 0.475 51 D N 0.421 120.822 120.400 0.002 0.000 2.280 51 D HA -0.179 4.461 4.640 0.000 0.000 0.206 51 D C 1.867 178.168 176.300 0.002 0.000 0.988 51 D CA 0.677 54.678 54.000 0.002 0.000 0.886 51 D CB -0.077 40.724 40.800 0.002 0.000 0.914 51 D HN 0.348 nan 8.370 nan 0.000 0.473 52 L N -0.508 120.716 121.223 0.002 0.000 2.056 52 L HA -0.041 4.299 4.340 0.000 0.000 0.207 52 L C 1.982 178.854 176.870 0.002 0.000 1.078 52 L CA 1.781 56.623 54.840 0.002 0.000 0.749 52 L CB -0.117 41.944 42.059 0.003 0.000 0.901 52 L HN 0.325 nan 8.230 nan 0.000 0.433 53 G N -1.934 106.867 108.800 0.002 0.000 2.253 53 G HA2 -0.242 3.718 3.960 0.000 0.000 0.209 53 G HA3 -0.242 3.718 3.960 0.000 0.000 0.209 53 G C 0.120 175.022 174.900 0.002 0.000 0.997 53 G CA 0.051 45.153 45.100 0.002 0.000 0.640 53 G HN 0.293 nan 8.290 nan 0.000 0.496 54 D N 1.178 121.580 120.400 0.003 0.000 2.583 54 D HA 0.364 5.004 4.640 0.000 0.000 0.232 54 D C 0.855 177.158 176.300 0.004 0.000 1.128 54 D CA 1.053 55.055 54.000 0.004 0.000 0.859 54 D CB 1.130 41.933 40.800 0.005 0.000 1.169 54 D HN 0.892 nan 8.370 nan 0.000 0.481 55 V N 1.408 121.325 119.914 0.005 0.000 2.495 55 V HA 0.685 4.805 4.120 0.000 0.000 0.298 55 V C -0.065 176.033 176.094 0.007 0.000 1.031 55 V CA -0.899 61.404 62.300 0.005 0.000 0.871 55 V CB 1.971 33.796 31.823 0.003 0.000 0.988 55 V HN 0.222 nan 8.190 nan 0.000 0.432 56 V N 4.715 124.634 119.914 0.008 0.000 2.577 56 V HA 0.470 4.590 4.120 0.000 0.000 0.294 56 V C -0.783 175.318 176.094 0.012 0.000 1.052 56 V CA -0.227 62.080 62.300 0.011 0.000 0.891 56 V CB 2.166 33.994 31.823 0.009 0.000 1.017 56 V HN 0.795 nan 8.190 nan 0.000 0.436 57 V N 5.016 124.940 119.914 0.016 0.000 2.409 57 V HA 0.808 4.928 4.120 0.000 0.000 0.290 57 V C -0.079 176.027 176.094 0.021 0.000 1.017 57 V CA -0.306 62.003 62.300 0.016 0.000 0.841 57 V CB 1.902 33.736 31.823 0.017 0.000 1.003 57 V HN 0.970 nan 8.190 nan 0.000 0.426 58 T N 0.171 114.734 114.554 0.015 0.000 2.868 58 T HA 0.417 4.767 4.350 0.000 0.000 0.306 58 T C 0.225 174.930 174.700 0.009 0.000 1.224 58 T CA -0.634 61.474 62.100 0.014 0.000 1.012 58 T CB 2.426 71.300 68.868 0.011 0.000 1.221 58 T HN 0.381 nan 8.240 nan 0.000 0.499 59 N N -0.288 118.417 118.700 0.008 0.000 2.513 59 N HA 0.021 4.761 4.740 0.000 0.000 0.196 59 N C -0.495 175.015 175.510 0.000 0.000 1.041 59 N CA -0.204 52.848 53.050 0.005 0.000 0.916 59 N CB 0.269 38.759 38.487 0.006 0.000 1.172 59 N HN 0.636 nan 8.380 nan 0.000 0.444 60 D N 0.099 120.499 120.400 -0.000 0.000 2.982 60 D HA -0.075 4.565 4.640 0.000 0.000 0.222 60 D C 0.908 177.206 176.300 -0.003 0.000 1.124 60 D CA 0.333 54.332 54.000 -0.003 0.000 0.810 60 D CB 0.795 41.593 40.800 -0.003 0.000 1.152 60 D HN 0.458 nan 8.370 nan 0.000 0.538 61 G N 2.239 111.036 108.800 -0.006 0.000 2.464 61 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 61 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 61 G C 1.587 176.484 174.900 -0.005 0.000 1.138 61 G CA 0.481 45.577 45.100 -0.006 0.000 0.793 61 G HN 0.470 nan 8.290 nan 0.000 0.539 62 V N 1.226 121.137 119.914 -0.005 0.000 2.217 62 V HA -0.276 3.844 4.120 0.000 0.000 0.248 62 V C 2.775 178.867 176.094 -0.002 0.000 1.050 62 V CA 3.347 65.645 62.300 -0.004 0.000 1.007 62 V CB -1.080 30.741 31.823 -0.004 0.000 0.639 62 V HN 0.369 nan 8.190 nan 0.000 0.452 63 T N 0.541 115.094 114.554 -0.002 0.000 2.751 63 T HA -0.249 4.101 4.350 0.000 0.000 0.268 63 T C 1.656 176.357 174.700 0.001 0.000 1.045 63 T CA 2.237 64.337 62.100 0.000 0.000 1.142 63 T CB -0.502 68.366 68.868 0.001 0.000 0.851 63 T HN 0.537 nan 8.240 nan 0.000 0.474 64 I N 0.277 120.848 120.570 0.000 0.000 2.127 64 I HA -0.170 4.001 4.170 0.000 0.000 0.241 64 I C 2.059 178.176 176.117 0.001 0.000 1.075 64 I CA 1.098 62.398 61.300 0.001 0.000 1.334 64 I CB -0.249 37.750 38.000 -0.001 0.000 1.040 64 I HN 0.230 nan 8.210 nan 0.000 0.405 65 L N -0.022 121.201 121.223 0.000 0.000 2.270 65 L HA -0.045 4.295 4.340 0.000 0.000 0.210 65 L C 2.468 179.340 176.870 0.003 0.000 1.104 65 L CA 1.303 56.143 54.840 0.001 0.000 0.804 65 L CB -1.368 40.691 42.059 0.001 0.000 0.937 65 L HN 0.186 nan 8.230 nan 0.000 0.450 66 R N -0.051 120.451 120.500 0.002 0.000 2.091 66 R HA -0.158 4.182 4.340 0.000 0.000 0.238 66 R C 2.139 178.441 176.300 0.004 0.000 1.136 66 R CA 1.324 57.425 56.100 0.003 0.000 0.959 66 R CB 0.237 30.538 30.300 0.002 0.000 0.856 66 R HN 0.285 nan 8.270 nan 0.000 0.437 67 E N -0.172 120.031 120.200 0.003 0.000 2.051 67 E HA -0.054 4.296 4.350 0.000 0.000 0.189 67 E C 0.578 177.181 176.600 0.004 0.000 0.979 67 E CA 0.540 56.943 56.400 0.004 0.000 0.803 67 E CB -0.006 29.697 29.700 0.004 0.000 0.761 67 E HN 0.244 nan 8.360 nan 0.000 0.451 68 M N 2.170 121.772 119.600 0.004 0.000 3.282 68 M HA 0.001 4.481 4.480 0.000 0.000 0.242 68 M C 0.393 176.697 176.300 0.006 0.000 1.568 68 M CA 0.071 55.373 55.300 0.004 0.000 1.668 68 M CB -1.419 31.183 32.600 0.004 0.000 1.236 68 M HN -0.101 nan 8.290 nan 0.000 0.527 69 S N 1.881 117.585 115.700 0.007 0.000 3.494 69 S HA -0.105 4.365 4.470 0.000 0.000 0.161 69 S C 0.242 174.849 174.600 0.010 0.000 0.413 69 S CA 0.127 58.332 58.200 0.008 0.000 1.399 69 S CB -0.853 62.352 63.200 0.007 0.000 1.004 69 S HN 0.596 nan 8.310 nan 0.000 0.280 70 V N 4.089 124.012 119.914 0.015 0.000 2.540 70 V HA 0.230 4.350 4.120 0.000 0.000 0.297 70 V C 1.077 177.191 176.094 0.035 0.000 1.024 70 V CA 0.994 63.308 62.300 0.024 0.000 1.105 70 V CB 0.632 32.472 31.823 0.028 0.000 0.938 70 V HN 0.904 nan 8.190 nan 0.000 0.482 71 E N 3.817 124.041 120.200 0.040 0.000 2.079 71 E HA 0.077 4.427 4.350 0.000 0.000 0.191 71 E C 0.803 177.479 176.600 0.127 0.000 0.961 71 E CA 0.209 56.638 56.400 0.049 0.000 0.823 71 E CB -0.189 29.513 29.700 0.004 0.000 0.789 71 E HN 0.866 nan 8.360 nan 0.000 0.459 72 H N 2.328 121.404 119.070 0.010 0.000 3.138 72 H HA -0.001 4.555 4.556 0.000 0.000 0.275 72 H C -1.673 173.661 175.328 0.010 0.000 0.997 72 H CA -1.577 54.479 56.048 0.013 0.000 1.460 72 H CB 0.771 30.541 29.762 0.013 0.000 1.524 72 H HN 0.050 nan 8.280 nan 0.000 0.532 73 P HA -0.279 nan 4.420 nan 0.000 0.218 73 P C 1.060 178.330 177.300 -0.051 0.000 1.154 73 P CA 2.055 65.150 63.100 -0.010 0.000 0.872 73 P CB 0.264 31.930 31.700 -0.057 0.000 0.790 74 A N -0.476 122.256 122.820 -0.147 0.000 1.929 74 A HA -0.045 4.275 4.320 0.000 0.000 0.216 74 A C 2.256 179.811 177.584 -0.048 0.000 1.176 74 A CA 1.678 53.637 52.037 -0.130 0.000 0.628 74 A CB -1.549 17.314 19.000 -0.228 0.000 0.816 74 A HN 0.178 nan 8.150 nan 0.000 0.444 75 A N -0.077 122.744 122.820 0.000 0.000 2.084 75 A HA -0.200 4.120 4.320 0.000 0.000 0.221 75 A C 1.998 179.595 177.584 0.022 0.000 1.161 75 A CA 1.922 53.983 52.037 0.040 0.000 0.653 75 A CB -0.390 18.673 19.000 0.104 0.000 0.802 75 A HN 0.603 nan 8.150 nan 0.000 0.457 76 K N -0.871 119.537 120.400 0.012 0.000 2.323 76 K HA 0.167 4.487 4.320 0.000 0.000 0.197 76 K C 1.614 178.213 176.600 -0.001 0.000 1.043 76 K CA 0.631 56.923 56.287 0.009 0.000 0.997 76 K CB -0.064 32.444 32.500 0.013 0.000 0.807 76 K HN 0.460 nan 8.250 nan 0.000 0.497 77 M N 0.367 119.962 119.600 -0.009 0.000 2.549 77 M HA -0.070 4.410 4.480 0.000 0.000 0.260 77 M C 1.705 177.999 176.300 -0.009 0.000 1.076 77 M CA 1.339 56.632 55.300 -0.012 0.000 1.090 77 M CB -0.291 32.297 32.600 -0.020 0.000 1.418 77 M HN 0.153 nan 8.290 nan 0.000 0.486 78 L N -0.442 120.777 121.223 -0.007 0.000 2.731 78 L HA 0.227 4.567 4.340 0.000 0.000 0.240 78 L C 1.913 178.780 176.870 -0.006 0.000 1.120 78 L CA -0.075 54.760 54.840 -0.008 0.000 0.913 78 L CB 0.389 42.442 42.059 -0.011 0.000 1.213 78 L HN 0.123 nan 8.230 nan 0.000 0.515 79 I N -0.417 120.152 120.570 -0.002 0.000 2.286 79 I HA -0.220 3.950 4.170 0.000 0.000 0.245 79 I C 1.633 177.748 176.117 -0.003 0.000 1.104 79 I CA 1.454 62.753 61.300 -0.002 0.000 1.397 79 I CB 0.234 38.235 38.000 0.001 0.000 1.072 79 I HN 0.294 nan 8.210 nan 0.000 0.417 80 E N 0.190 120.388 120.200 -0.002 0.000 2.418 80 E HA -0.107 4.243 4.350 0.000 0.000 0.197 80 E C 1.761 178.359 176.600 -0.003 0.000 1.026 80 E CA 0.910 57.309 56.400 -0.002 0.000 0.862 80 E CB 0.132 29.831 29.700 -0.002 0.000 0.799 80 E HN 0.501 nan 8.360 nan 0.000 0.518 81 V N -0.884 119.027 119.914 -0.005 0.000 3.650 81 V HA 0.218 4.338 4.120 0.000 0.000 0.271 81 V C 1.732 177.822 176.094 -0.007 0.000 1.281 81 V CA 0.857 63.154 62.300 -0.005 0.000 1.120 81 V CB 0.408 32.227 31.823 -0.007 0.000 0.856 81 V HN 0.237 nan 8.190 nan 0.000 0.443 82 A N -0.162 122.654 122.820 -0.007 0.000 2.140 82 A HA 0.161 4.481 4.320 0.000 0.000 0.209 82 A C 2.185 179.766 177.584 -0.005 0.000 1.181 82 A CA 0.632 52.664 52.037 -0.007 0.000 0.824 82 A CB -0.006 18.989 19.000 -0.008 0.000 0.879 82 A HN 0.326 nan 8.150 nan 0.000 0.480 83 K N 0.076 120.474 120.400 -0.004 0.000 1.973 83 K HA -0.114 4.206 4.320 0.000 0.000 0.210 83 K C 1.916 178.514 176.600 -0.003 0.000 1.045 83 K CA 1.909 58.194 56.287 -0.003 0.000 0.937 83 K CB -0.435 32.064 32.500 -0.002 0.000 0.721 83 K HN 0.393 nan 8.250 nan 0.000 0.438 84 T N 1.338 115.891 114.554 -0.002 0.000 2.685 84 T HA -0.247 4.103 4.350 0.000 0.000 0.268 84 T C 1.835 176.534 174.700 -0.001 0.000 1.034 84 T CA 1.931 64.030 62.100 -0.001 0.000 1.149 84 T CB -0.328 68.540 68.868 0.000 0.000 0.860 84 T HN 0.327 nan 8.240 nan 0.000 0.449 85 Q N 0.729 120.528 119.800 -0.002 0.000 2.170 85 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 85 Q C 2.301 178.300 176.000 -0.003 0.000 0.976 85 Q CA 1.332 57.134 55.803 -0.002 0.000 0.858 85 Q CB -0.169 28.567 28.738 -0.003 0.000 0.907 85 Q HN 0.510 nan 8.270 nan 0.000 0.433 86 E N 0.347 120.545 120.200 -0.004 0.000 2.072 86 E HA -0.193 4.157 4.350 0.000 0.000 0.190 86 E C 1.506 178.104 176.600 -0.004 0.000 0.982 86 E CA 1.137 57.534 56.400 -0.004 0.000 0.803 86 E CB 0.086 29.783 29.700 -0.005 0.000 0.755 86 E HN 0.341 nan 8.360 nan 0.000 0.453 87 K N 1.197 121.595 120.400 -0.003 0.000 2.071 87 K HA -0.260 4.060 4.320 0.000 0.000 0.217 87 K C 2.170 178.768 176.600 -0.003 0.000 1.054 87 K CA 2.496 58.781 56.287 -0.003 0.000 0.937 87 K CB -0.371 32.127 32.500 -0.003 0.000 0.719 87 K HN 0.396 nan 8.250 nan 0.000 0.454 88 E N 0.657 120.855 120.200 -0.002 0.000 1.987 88 E HA -0.152 4.198 4.350 0.000 0.000 0.198 88 E C 2.169 178.768 176.600 -0.002 0.000 0.968 88 E CA 1.177 57.576 56.400 -0.002 0.000 0.867 88 E CB -0.788 28.912 29.700 -0.001 0.000 0.819 88 E HN 0.036 nan 8.360 nan 0.000 0.516 89 V N 0.379 120.292 119.914 -0.002 0.000 2.255 89 V HA -0.005 4.115 4.120 0.000 0.000 0.243 89 V C 1.551 177.644 176.094 -0.003 0.000 1.038 89 V CA 2.399 64.698 62.300 -0.001 0.000 1.008 89 V CB -0.436 31.387 31.823 -0.001 0.000 0.645 89 V HN 0.843 nan 8.190 nan 0.000 0.449 90 G N -0.632 108.166 108.800 -0.003 0.000 3.110 90 G HA2 -0.221 3.739 3.960 0.000 0.000 0.238 90 G HA3 -0.221 3.739 3.960 0.000 0.000 0.238 90 G C -0.251 174.647 174.900 -0.004 0.000 1.647 90 G CA 0.182 45.279 45.100 -0.004 0.000 1.146 90 G HN 0.486 nan 8.290 nan 0.000 0.545 91 D N 1.905 122.303 120.400 -0.004 0.000 2.423 91 D HA 0.486 5.126 4.640 0.000 0.000 0.238 91 D C 1.359 177.657 176.300 -0.004 0.000 1.142 91 D CA 2.204 56.201 54.000 -0.004 0.000 0.884 91 D CB 0.612 41.410 40.800 -0.003 0.000 1.199 91 D HN 1.846 nan 8.370 nan 0.000 0.438 92 G N 1.182 109.978 108.800 -0.006 0.000 2.284 92 G HA2 -0.312 3.648 3.960 0.000 0.000 0.201 92 G HA3 -0.312 3.648 3.960 0.000 0.000 0.201 92 G C 1.204 176.098 174.900 -0.009 0.000 0.998 92 G CA 1.096 46.192 45.100 -0.007 0.000 0.651 92 G HN 0.757 nan 8.290 nan 0.000 0.489 93 T N 0.387 114.936 114.554 -0.009 0.000 2.276 93 T HA -0.241 4.109 4.350 0.000 0.000 0.218 93 T C 2.458 177.149 174.700 -0.014 0.000 1.547 93 T CA 4.005 66.099 62.100 -0.010 0.000 1.225 93 T CB -1.763 67.100 68.868 -0.009 0.000 0.864 93 T HN 1.734 nan 8.240 nan 0.000 0.391 94 T N 0.558 115.103 114.554 -0.015 0.000 5.613 94 T HA -0.365 3.985 4.350 0.000 0.000 0.231 94 T C 1.875 176.560 174.700 -0.025 0.000 1.470 94 T CA 3.056 65.145 62.100 -0.019 0.000 1.430 94 T CB -2.292 66.565 68.868 -0.018 0.000 1.546 94 T HN 0.692 nan 8.240 nan 0.000 0.702 95 T N 1.749 116.290 114.554 -0.023 0.000 2.814 95 T HA 0.323 4.673 4.350 0.000 0.000 0.254 95 T C 2.483 177.163 174.700 -0.033 0.000 1.037 95 T CA 1.330 63.414 62.100 -0.026 0.000 1.143 95 T CB -0.748 68.109 68.868 -0.019 0.000 0.866 95 T HN 0.671 nan 8.240 nan 0.000 0.431 96 A N 0.743 123.548 122.820 -0.024 0.000 1.948 96 A HA -0.071 4.249 4.320 0.000 0.000 0.220 96 A C 2.381 179.943 177.584 -0.036 0.000 1.177 96 A CA 1.637 53.660 52.037 -0.023 0.000 0.636 96 A CB -0.739 18.253 19.000 -0.013 0.000 0.815 96 A HN 0.383 nan 8.150 nan 0.000 0.449 97 V N -1.276 118.617 119.914 -0.035 0.000 3.263 97 V HA -0.047 4.073 4.120 0.000 0.000 0.248 97 V C 2.338 178.402 176.094 -0.050 0.000 1.145 97 V CA 1.072 63.349 62.300 -0.038 0.000 1.107 97 V CB 0.365 32.172 31.823 -0.027 0.000 0.797 97 V HN 0.330 nan 8.190 nan 0.000 0.467 98 V N 1.032 120.914 119.914 -0.052 0.000 2.283 98 V HA -0.131 3.989 4.120 0.000 0.000 0.243 98 V C 2.284 178.328 176.094 -0.084 0.000 1.039 98 V CA 2.095 64.359 62.300 -0.059 0.000 1.016 98 V CB -0.529 31.263 31.823 -0.051 0.000 0.650 98 V HN 0.521 nan 8.190 nan 0.000 0.449 99 V N -1.368 118.487 119.914 -0.099 0.000 3.646 99 V HA 0.363 4.483 4.120 0.000 0.000 0.277 99 V C 2.166 178.141 176.094 -0.198 0.000 1.274 99 V CA 0.844 63.055 62.300 -0.150 0.000 1.164 99 V CB -0.928 30.803 31.823 -0.154 0.000 0.926 99 V HN 0.318 nan 8.190 nan 0.000 0.442 100 A N 1.581 124.315 122.820 -0.143 0.000 1.930 100 A HA 0.140 4.460 4.320 0.000 0.000 0.217 100 A C 2.248 179.758 177.584 -0.123 0.000 1.175 100 A CA 1.838 53.798 52.037 -0.128 0.000 0.627 100 A CB -0.961 17.991 19.000 -0.080 0.000 0.815 100 A HN 0.672 nan 8.150 nan 0.000 0.443 101 G N -1.049 107.689 108.800 -0.103 0.000 2.459 101 G HA2 0.002 3.962 3.960 0.000 0.000 0.213 101 G HA3 0.002 3.962 3.960 0.000 0.000 0.213 101 G C 1.406 176.248 174.900 -0.098 0.000 1.155 101 G CA 0.948 45.998 45.100 -0.084 0.000 0.811 101 G HN 0.500 nan 8.290 nan 0.000 0.534 102 E N 0.113 120.245 120.200 -0.115 0.000 2.110 102 E HA -0.051 4.299 4.350 0.000 0.000 0.193 102 E C 2.220 178.719 176.600 -0.169 0.000 0.988 102 E CA 0.529 56.855 56.400 -0.125 0.000 0.804 102 E CB -0.320 29.301 29.700 -0.132 0.000 0.745 102 E HN 0.250 nan 8.360 nan 0.000 0.458 103 L N 0.036 121.116 121.223 -0.237 0.000 2.362 103 L HA -0.090 4.250 4.340 0.000 0.000 0.219 103 L C 1.511 178.222 176.870 -0.266 0.000 1.134 103 L CA 0.849 55.489 54.840 -0.335 0.000 0.807 103 L CB -0.180 41.572 42.059 -0.511 0.000 0.927 103 L HN 0.229 nan 8.230 nan 0.000 0.447 104 L N -0.655 120.463 121.223 -0.176 0.000 2.072 104 L HA -0.122 4.218 4.340 0.000 0.000 0.205 104 L C 2.558 179.374 176.870 -0.090 0.000 1.079 104 L CA 1.622 56.392 54.840 -0.118 0.000 0.752 104 L CB -1.983 40.025 42.059 -0.085 0.000 0.906 104 L HN 0.394 nan 8.230 nan 0.000 0.436 105 R N 0.851 121.300 120.500 -0.085 0.000 2.093 105 R HA -0.082 4.259 4.340 0.000 0.000 0.224 105 R C 2.037 178.309 176.300 -0.045 0.000 1.101 105 R CA 0.707 56.773 56.100 -0.057 0.000 0.979 105 R CB 0.070 30.338 30.300 -0.055 0.000 0.877 105 R HN 0.308 nan 8.270 nan 0.000 0.441 106 K N 1.074 121.439 120.400 -0.059 0.000 1.991 106 K HA -0.122 4.198 4.320 0.000 0.000 0.212 106 K C 2.270 178.865 176.600 -0.008 0.000 1.049 106 K CA 1.543 57.809 56.287 -0.033 0.000 0.932 106 K CB -0.609 31.871 32.500 -0.034 0.000 0.717 106 K HN 0.245 nan 8.250 nan 0.000 0.441 107 A N 1.823 124.617 122.820 -0.043 0.000 1.915 107 A HA -0.344 3.976 4.320 0.000 0.000 0.220 107 A C 2.172 179.762 177.584 0.011 0.000 1.198 107 A CA 2.460 54.497 52.037 -0.000 0.000 0.647 107 A CB -0.866 18.109 19.000 -0.041 0.000 0.825 107 A HN 0.523 nan 8.150 nan 0.000 0.456 108 E N -0.381 119.811 120.200 -0.013 0.000 2.119 108 E HA -0.304 4.046 4.350 0.000 0.000 0.221 108 E C 1.835 178.437 176.600 0.003 0.000 1.062 108 E CA 2.275 58.670 56.400 -0.010 0.000 0.894 108 E CB -0.334 29.356 29.700 -0.018 0.000 0.785 108 E HN 0.742 nan 8.360 nan 0.000 0.472 109 E N -0.781 119.423 120.200 0.007 0.000 2.333 109 E HA -0.199 4.151 4.350 0.000 0.000 0.200 109 E C 1.979 178.591 176.600 0.020 0.000 1.010 109 E CA 1.214 57.620 56.400 0.012 0.000 0.841 109 E CB -0.133 29.578 29.700 0.017 0.000 0.757 109 E HN 0.464 nan 8.360 nan 0.000 0.508 110 L N -2.472 118.769 121.223 0.029 0.000 2.362 110 L HA 0.101 4.441 4.340 0.000 0.000 0.204 110 L C 1.866 178.749 176.870 0.023 0.000 1.060 110 L CA 0.199 55.060 54.840 0.034 0.000 0.827 110 L CB -0.385 41.704 42.059 0.050 0.000 1.027 110 L HN -0.071 nan 8.230 nan 0.000 0.474 111 L N 1.051 122.282 121.223 0.012 0.000 2.622 111 L HA -0.030 4.310 4.340 0.000 0.000 0.233 111 L C 1.153 178.021 176.870 -0.002 0.000 1.156 111 L CA 0.786 55.622 54.840 -0.006 0.000 0.866 111 L CB -0.967 41.075 42.059 -0.027 0.000 0.980 111 L HN 0.329 nan 8.230 nan 0.000 0.448 112 D N -2.289 118.112 120.400 0.003 0.000 2.271 112 D HA -0.013 4.627 4.640 0.000 0.000 0.206 112 D C 1.063 177.367 176.300 0.007 0.000 0.967 112 D CA -0.067 53.935 54.000 0.003 0.000 0.867 112 D CB 0.072 40.870 40.800 -0.002 0.000 0.960 112 D HN 0.018 nan 8.370 nan 0.000 0.509 113 Q N -0.336 119.470 119.800 0.011 0.000 1.881 113 Q HA -0.330 4.010 4.340 0.000 0.000 0.372 113 Q C 0.166 176.176 176.000 0.016 0.000 0.737 113 Q CA 1.919 57.731 55.803 0.015 0.000 0.914 113 Q CB -1.437 27.312 28.738 0.018 0.000 2.970 113 Q HN 0.429 nan 8.270 nan 0.000 0.753 114 N N -1.344 117.369 118.700 0.021 0.000 2.194 114 N HA 0.240 4.980 4.740 0.000 0.000 0.233 114 N C -1.129 174.402 175.510 0.036 0.000 1.392 114 N CA 0.566 53.631 53.050 0.025 0.000 0.790 114 N CB 0.860 39.363 38.487 0.027 0.000 1.291 114 N HN 0.357 nan 8.380 nan 0.000 0.518 115 V N 0.799 120.732 119.914 0.032 0.000 2.420 115 V HA 0.171 4.291 4.120 0.000 0.000 0.274 115 V C 0.257 176.374 176.094 0.038 0.000 1.003 115 V CA 0.047 62.375 62.300 0.047 0.000 1.092 115 V CB -0.938 30.908 31.823 0.039 0.000 1.002 115 V HN 0.433 nan 8.190 nan 0.000 0.473 116 H N 6.677 125.758 119.070 0.018 0.000 1.766 116 H HA -0.108 4.448 4.556 0.000 0.000 0.300 116 H C -1.511 173.834 175.328 0.027 0.000 0.752 116 H CA 0.706 56.765 56.048 0.019 0.000 1.011 116 H CB 0.192 29.963 29.762 0.015 0.000 1.462 116 H HN 0.699 nan 8.280 nan 0.000 0.242 117 P HA -0.200 nan 4.420 nan 0.000 0.224 117 P C 1.362 178.650 177.300 -0.021 0.000 1.142 117 P CA 1.859 64.818 63.100 -0.235 0.000 0.778 117 P CB -0.019 31.437 31.700 -0.408 0.000 0.764 118 T N -4.634 109.998 114.554 0.131 0.000 3.155 118 T HA -0.035 4.315 4.350 0.000 0.000 0.264 118 T C 1.558 176.310 174.700 0.088 0.000 1.160 118 T CA 0.557 62.757 62.100 0.167 0.000 1.075 118 T CB -0.414 68.575 68.868 0.202 0.000 0.921 118 T HN -0.007 nan 8.240 nan 0.000 0.533 119 I N 0.295 120.903 120.570 0.064 0.000 4.300 119 I HA 0.084 4.254 4.170 0.000 0.000 0.234 119 I C 2.555 178.659 176.117 -0.021 0.000 1.037 119 I CA 0.836 62.146 61.300 0.017 0.000 1.620 119 I CB -0.724 37.286 38.000 0.017 0.000 1.514 119 I HN 0.204 nan 8.210 nan 0.000 0.462 120 V N 2.367 122.293 119.914 0.020 0.000 2.352 120 V HA -0.380 3.740 4.120 0.000 0.000 0.247 120 V C 2.180 178.328 176.094 0.089 0.000 1.073 120 V CA 3.885 66.269 62.300 0.140 0.000 1.104 120 V CB -1.120 30.841 31.823 0.230 0.000 0.847 120 V HN 0.333 nan 8.190 nan 0.000 0.472 121 V N -2.743 117.248 119.914 0.129 0.000 2.599 121 V HA 0.081 4.201 4.120 0.000 0.000 0.245 121 V C 2.539 178.667 176.094 0.058 0.000 1.046 121 V CA 1.913 64.317 62.300 0.173 0.000 1.065 121 V CB -1.005 30.889 31.823 0.117 0.000 0.703 121 V HN 0.551 nan 8.190 nan 0.000 0.464 122 K N 1.810 122.207 120.400 -0.005 0.000 2.074 122 K HA -0.046 4.274 4.320 0.000 0.000 0.209 122 K C 2.096 178.639 176.600 -0.096 0.000 1.048 122 K CA 1.937 58.202 56.287 -0.037 0.000 0.926 122 K CB -1.238 31.248 32.500 -0.023 0.000 0.713 122 K HN 0.580 nan 8.250 nan 0.000 0.444 123 G N -0.147 108.516 108.800 -0.228 0.000 2.771 123 G HA2 -0.289 3.671 3.960 0.000 0.000 0.214 123 G HA3 -0.289 3.671 3.960 0.000 0.000 0.214 123 G C 1.024 175.764 174.900 -0.267 0.000 1.331 123 G CA 1.312 46.177 45.100 -0.391 0.000 0.812 123 G HN 0.311 nan 8.290 nan 0.000 0.628 124 Y N 2.114 122.423 120.300 0.016 0.000 2.332 124 Y HA -0.224 4.326 4.550 0.000 0.000 0.283 124 Y C 3.049 178.878 175.900 -0.119 0.000 1.186 124 Y CA 1.515 59.603 58.100 -0.019 0.000 1.266 124 Y CB -0.554 38.016 38.460 0.185 0.000 0.973 124 Y HN 0.592 nan 8.280 nan 0.000 0.548 125 Q N -1.161 118.667 119.800 0.047 0.000 2.339 125 Q HA 0.134 4.474 4.340 0.000 0.000 0.205 125 Q C 2.135 178.108 176.000 -0.045 0.000 0.925 125 Q CA 0.883 56.685 55.803 -0.002 0.000 0.898 125 Q CB -0.325 28.428 28.738 0.025 0.000 1.013 125 Q HN 0.312 nan 8.270 nan 0.000 0.504 126 A N 1.213 124.005 122.820 -0.046 0.000 2.021 126 A HA 0.336 4.656 4.320 0.000 0.000 0.216 126 A C 2.184 179.723 177.584 -0.075 0.000 1.163 126 A CA 0.900 52.924 52.037 -0.022 0.000 0.676 126 A CB -0.294 18.735 19.000 0.047 0.000 0.818 126 A HN 0.464 nan 8.150 nan 0.000 0.453 127 A N -0.701 122.042 122.820 -0.129 0.000 2.169 127 A HA 0.493 4.813 4.320 0.000 0.000 0.212 127 A C 2.113 179.438 177.584 -0.431 0.000 1.153 127 A CA 1.214 53.097 52.037 -0.257 0.000 0.756 127 A CB -0.407 18.444 19.000 -0.248 0.000 0.813 127 A HN 0.749 nan 8.150 nan 0.000 0.471 128 A N -0.844 121.764 122.820 -0.354 0.000 1.911 128 A HA 0.025 4.345 4.320 0.000 0.000 0.212 128 A C 2.061 179.556 177.584 -0.148 0.000 1.189 128 A CA 0.978 52.868 52.037 -0.245 0.000 0.639 128 A CB -0.310 18.616 19.000 -0.124 0.000 0.839 128 A HN 0.390 nan 8.150 nan 0.000 0.449 129 Q N 0.636 120.357 119.800 -0.131 0.000 1.985 129 Q HA -0.238 4.102 4.340 0.000 0.000 0.207 129 Q C 1.984 177.897 176.000 -0.147 0.000 0.996 129 Q CA 1.944 57.681 55.803 -0.110 0.000 0.851 129 Q CB -0.806 27.887 28.738 -0.076 0.000 0.921 129 Q HN 0.702 nan 8.270 nan 0.000 0.418 130 K N 0.496 120.762 120.400 -0.223 0.000 2.034 130 K HA -0.174 4.146 4.320 0.000 0.000 0.214 130 K C 2.031 178.487 176.600 -0.240 0.000 1.051 130 K CA 1.571 57.663 56.287 -0.326 0.000 0.931 130 K CB -0.241 31.847 32.500 -0.687 0.000 0.715 130 K HN 0.214 nan 8.250 nan 0.000 0.446 131 A N 1.294 123.986 122.820 -0.214 0.000 2.084 131 A HA -0.217 4.103 4.320 0.000 0.000 0.221 131 A C 1.989 179.519 177.584 -0.090 0.000 1.161 131 A CA 1.458 53.413 52.037 -0.136 0.000 0.653 131 A CB -0.417 18.522 19.000 -0.103 0.000 0.802 131 A HN 0.435 nan 8.150 nan 0.000 0.457 132 Q N -0.105 119.641 119.800 -0.090 0.000 2.096 132 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 132 Q C 1.880 177.842 176.000 -0.063 0.000 0.982 132 Q CA 1.646 57.411 55.803 -0.064 0.000 0.850 132 Q CB -0.368 28.336 28.738 -0.057 0.000 0.901 132 Q HN 0.770 nan 8.270 nan 0.000 0.422 133 E N 0.433 120.581 120.200 -0.086 0.000 2.072 133 E HA -0.085 4.265 4.350 0.000 0.000 0.190 133 E C 2.334 178.893 176.600 -0.070 0.000 0.982 133 E CA 0.620 56.971 56.400 -0.080 0.000 0.803 133 E CB -0.120 29.511 29.700 -0.115 0.000 0.755 133 E HN 0.354 nan 8.360 nan 0.000 0.453 134 L N 0.517 121.689 121.223 -0.083 0.000 2.005 134 L HA -0.161 4.179 4.340 0.000 0.000 0.207 134 L C 2.571 179.418 176.870 -0.039 0.000 1.072 134 L CA 0.610 55.412 54.840 -0.062 0.000 0.744 134 L CB -0.689 41.325 42.059 -0.075 0.000 0.895 134 L HN 0.104 nan 8.230 nan 0.000 0.433 135 L N 1.064 122.267 121.223 -0.033 0.000 2.043 135 L HA -0.219 4.121 4.340 0.000 0.000 0.212 135 L C 2.723 179.587 176.870 -0.011 0.000 1.075 135 L CA 2.187 57.016 54.840 -0.018 0.000 0.752 135 L CB -1.061 40.989 42.059 -0.014 0.000 0.891 135 L HN 0.423 nan 8.230 nan 0.000 0.432 136 K N -0.296 120.094 120.400 -0.017 0.000 2.097 136 K HA -0.242 4.078 4.320 0.000 0.000 0.214 136 K C 1.748 178.344 176.600 -0.006 0.000 1.052 136 K CA 2.487 58.766 56.287 -0.013 0.000 0.932 136 K CB -1.803 30.692 32.500 -0.010 0.000 0.716 136 K HN 0.478 nan 8.250 nan 0.000 0.455 137 T N -1.021 113.530 114.554 -0.006 0.000 3.009 137 T HA 0.089 4.439 4.350 0.000 0.000 0.258 137 T C 1.744 176.453 174.700 0.016 0.000 1.063 137 T CA 0.592 62.694 62.100 0.002 0.000 1.139 137 T CB -0.402 68.464 68.868 -0.003 0.000 0.890 137 T HN 0.428 nan 8.240 nan 0.000 0.471 138 I N -0.256 120.324 120.570 0.017 0.000 3.793 138 I HA 0.509 4.679 4.170 0.000 0.000 0.315 138 I C 1.005 177.150 176.117 0.046 0.000 1.275 138 I CA -0.489 60.838 61.300 0.044 0.000 1.214 138 I CB -1.411 36.609 38.000 0.033 0.000 1.018 138 I HN 0.201 nan 8.210 nan 0.000 0.439 139 A N 2.944 125.779 122.820 0.026 0.000 2.440 139 A HA -0.098 4.222 4.320 0.000 0.000 0.298 139 A C 0.730 178.330 177.584 0.027 0.000 0.963 139 A CA 0.804 52.854 52.037 0.022 0.000 1.152 139 A CB -1.663 17.345 19.000 0.012 0.000 0.779 139 A HN 0.754 nan 8.150 nan 0.000 0.422 140 C N 3.670 122.986 119.300 0.027 0.000 2.330 140 C HA 0.707 5.167 4.460 0.000 0.000 0.344 140 C C 0.584 175.582 174.990 0.013 0.000 1.273 140 C CA -1.017 58.014 59.018 0.020 0.000 1.879 140 C CB 0.776 28.528 27.740 0.020 0.000 2.376 140 C HN 0.886 nan 8.230 nan 0.000 0.534 141 E N 2.554 122.760 120.200 0.010 0.000 2.417 141 E HA 0.374 4.724 4.350 0.000 0.000 0.261 141 E C -0.411 176.192 176.600 0.005 0.000 1.000 141 E CA 0.251 56.655 56.400 0.007 0.000 0.919 141 E CB 0.885 30.589 29.700 0.006 0.000 0.955 141 E HN 1.296 nan 8.360 nan 0.000 0.455 142 V N 1.570 121.487 119.914 0.005 0.000 3.218 142 V HA 0.501 4.621 4.120 0.000 0.000 0.266 142 V C -0.193 175.903 176.094 0.002 0.000 1.831 142 V CA -0.139 62.163 62.300 0.003 0.000 0.997 142 V CB 1.328 33.153 31.823 0.003 0.000 1.324 142 V HN 0.941 nan 8.190 nan 0.000 0.469 143 G N 0.874 109.675 108.800 0.001 0.000 2.634 143 G HA2 0.579 4.539 3.960 0.000 0.000 0.255 143 G HA3 0.579 4.539 3.960 0.000 0.000 0.255 143 G C 1.071 175.971 174.900 0.000 0.000 1.205 143 G CA 0.249 45.350 45.100 0.001 0.000 0.884 143 G HN 1.812 nan 8.290 nan 0.000 0.549 144 A N 0.327 123.147 122.820 -0.001 0.000 1.821 144 A HA -0.032 4.288 4.320 0.000 0.000 0.215 144 A C 1.976 179.559 177.584 -0.001 0.000 1.216 144 A CA 1.897 53.933 52.037 -0.001 0.000 0.615 144 A CB -0.665 18.334 19.000 -0.001 0.000 0.862 144 A HN 0.686 nan 8.150 nan 0.000 0.450 145 Q N 0.473 120.272 119.800 -0.002 0.000 2.296 145 Q HA 0.336 4.676 4.340 0.000 0.000 0.273 145 Q C -0.743 175.256 176.000 -0.001 0.000 0.900 145 Q CA -0.206 55.596 55.803 -0.002 0.000 0.993 145 Q CB -0.332 28.404 28.738 -0.003 0.000 1.132 145 Q HN 0.460 nan 8.270 nan 0.000 0.439 146 D N 1.649 122.049 120.400 -0.000 0.000 2.525 146 D HA -0.091 4.549 4.640 0.000 0.000 0.235 146 D C 0.595 176.896 176.300 0.001 0.000 1.137 146 D CA 0.534 54.534 54.000 0.001 0.000 0.868 146 D CB 0.939 41.740 40.800 0.001 0.000 1.180 146 D HN 0.255 nan 8.370 nan 0.000 0.465 147 K N 2.787 123.188 120.400 0.001 0.000 2.314 147 K HA -0.072 4.248 4.320 0.000 0.000 0.198 147 K C 1.543 178.145 176.600 0.003 0.000 1.045 147 K CA 0.354 56.642 56.287 0.002 0.000 0.988 147 K CB 0.154 32.655 32.500 0.002 0.000 0.783 147 K HN 0.580 nan 8.250 nan 0.000 0.484 148 E N 1.218 121.420 120.200 0.003 0.000 2.106 148 E HA -0.176 4.174 4.350 0.000 0.000 0.192 148 E C 1.837 178.440 176.600 0.005 0.000 0.984 148 E CA 1.425 57.827 56.400 0.003 0.000 0.806 148 E CB -0.160 29.542 29.700 0.003 0.000 0.750 148 E HN 0.517 nan 8.360 nan 0.000 0.458 149 I N -1.838 118.734 120.570 0.004 0.000 3.578 149 I HA 0.024 4.194 4.170 0.000 0.000 0.295 149 I C 1.544 177.664 176.117 0.006 0.000 1.280 149 I CA -0.015 61.289 61.300 0.005 0.000 1.347 149 I CB 0.154 38.157 38.000 0.005 0.000 1.051 149 I HN 0.035 nan 8.210 nan 0.000 0.460 150 L N 1.699 122.925 121.223 0.004 0.000 2.049 150 L HA -0.091 4.249 4.340 0.000 0.000 0.203 150 L C 2.971 179.844 176.870 0.005 0.000 1.074 150 L CA 2.614 57.456 54.840 0.004 0.000 0.749 150 L CB -1.182 40.879 42.059 0.003 0.000 0.907 150 L HN 0.557 nan 8.230 nan 0.000 0.439 151 T N -2.725 111.833 114.554 0.006 0.000 2.760 151 T HA -0.303 4.047 4.350 0.000 0.000 0.269 151 T C 1.955 176.660 174.700 0.009 0.000 1.047 151 T CA 1.762 63.866 62.100 0.007 0.000 1.139 151 T CB -0.290 68.582 68.868 0.006 0.000 0.855 151 T HN 0.265 nan 8.240 nan 0.000 0.471 152 K N 0.421 120.827 120.400 0.010 0.000 2.076 152 K HA 0.199 4.519 4.320 0.000 0.000 0.204 152 K C 2.332 178.940 176.600 0.014 0.000 1.051 152 K CA 1.430 57.725 56.287 0.013 0.000 0.949 152 K CB -0.177 32.330 32.500 0.012 0.000 0.726 152 K HN 0.495 nan 8.250 nan 0.000 0.443 153 I N 0.459 121.035 120.570 0.011 0.000 2.500 153 I HA -0.097 4.073 4.170 0.000 0.000 0.252 153 I C 2.413 178.535 176.117 0.010 0.000 1.142 153 I CA 0.581 61.888 61.300 0.010 0.000 1.451 153 I CB -0.420 37.585 38.000 0.008 0.000 1.093 153 I HN -0.000 nan 8.210 nan 0.000 0.430 154 A N 2.552 125.378 122.820 0.009 0.000 1.948 154 A HA -0.240 4.080 4.320 0.000 0.000 0.220 154 A C 2.471 180.061 177.584 0.011 0.000 1.177 154 A CA 2.322 54.364 52.037 0.008 0.000 0.636 154 A CB -0.701 18.303 19.000 0.007 0.000 0.815 154 A HN 0.640 nan 8.150 nan 0.000 0.449 155 M N -2.899 116.710 119.600 0.014 0.000 2.419 155 M HA 0.065 4.545 4.480 0.000 0.000 0.264 155 M C 1.116 177.430 176.300 0.023 0.000 1.082 155 M CA 1.980 57.291 55.300 0.019 0.000 1.119 155 M CB -0.451 32.161 32.600 0.021 0.000 1.398 155 M HN 0.059 nan 8.290 nan 0.000 0.453 156 T N 0.461 115.027 114.554 0.021 0.000 3.188 156 T HA 0.199 4.549 4.350 0.000 0.000 0.250 156 T C 1.262 175.972 174.700 0.015 0.000 1.077 156 T CA 0.288 62.400 62.100 0.021 0.000 0.967 156 T CB 0.039 68.919 68.868 0.021 0.000 1.006 156 T HN 0.438 nan 8.240 nan 0.000 0.552 157 S N 0.988 116.695 115.700 0.013 0.000 2.512 157 S HA 0.242 4.712 4.470 0.000 0.000 0.216 157 S C 1.357 175.962 174.600 0.009 0.000 1.006 157 S CA -0.188 58.017 58.200 0.009 0.000 0.915 157 S CB 0.135 63.338 63.200 0.005 0.000 0.824 157 S HN 0.630 nan 8.310 nan 0.000 0.497 158 I N 1.380 121.958 120.570 0.013 0.000 3.884 158 I HA 0.267 4.437 4.170 0.000 0.000 0.330 158 I C 0.519 176.651 176.117 0.025 0.000 1.451 158 I CA -0.281 61.028 61.300 0.016 0.000 1.165 158 I CB -0.166 37.843 38.000 0.014 0.000 1.097 158 I HN 0.017 nan 8.210 nan 0.000 0.404 159 T N -1.115 113.455 114.554 0.027 0.000 2.797 159 T HA 0.623 4.973 4.350 0.000 0.000 0.279 159 T C 0.807 175.525 174.700 0.030 0.000 0.991 159 T CA 0.174 62.297 62.100 0.038 0.000 0.979 159 T CB 1.513 70.404 68.868 0.039 0.000 0.943 159 T HN 0.674 nan 8.240 nan 0.000 0.444 160 G N 2.948 111.771 108.800 0.039 0.000 2.142 160 G HA2 -0.171 3.789 3.960 0.000 0.000 0.225 160 G HA3 -0.171 3.789 3.960 0.000 0.000 0.225 160 G C -0.271 174.645 174.900 0.027 0.000 1.015 160 G CA 0.274 45.394 45.100 0.034 0.000 0.716 160 G HN 0.968 nan 8.290 nan 0.000 0.508 161 K N -1.130 119.288 120.400 0.029 0.000 2.352 161 K HA 0.699 5.019 4.320 0.000 0.000 0.240 161 K C 1.529 178.147 176.600 0.029 0.000 1.017 161 K CA -0.614 55.687 56.287 0.023 0.000 0.851 161 K CB 1.073 33.580 32.500 0.012 0.000 1.261 161 K HN 0.256 nan 8.250 nan 0.000 0.451 162 G N 0.075 108.892 108.800 0.027 0.000 2.535 162 G HA2 -0.009 3.951 3.960 0.000 0.000 0.218 162 G HA3 -0.009 3.951 3.960 0.000 0.000 0.218 162 G C 0.293 175.211 174.900 0.031 0.000 1.122 162 G CA 0.778 45.900 45.100 0.035 0.000 0.769 162 G HN 0.570 nan 8.290 nan 0.000 0.549 163 A N 0.256 123.091 122.820 0.024 0.000 3.307 163 A HA 0.501 4.821 4.320 0.000 0.000 0.289 163 A C 0.673 178.270 177.584 0.021 0.000 1.138 163 A CA 0.310 52.360 52.037 0.022 0.000 0.860 163 A CB 0.070 19.081 19.000 0.018 0.000 1.318 163 A HN 0.281 nan 8.150 nan 0.000 0.551 164 E N 1.566 121.782 120.200 0.028 0.000 2.444 164 E HA -0.276 4.074 4.350 0.000 0.000 0.204 164 E C 1.240 177.855 176.600 0.024 0.000 1.049 164 E CA 1.398 57.818 56.400 0.033 0.000 0.872 164 E CB -0.071 29.660 29.700 0.052 0.000 0.791 164 E HN 0.512 nan 8.360 nan 0.000 0.548 165 K N 1.057 121.468 120.400 0.019 0.000 1.976 165 K HA -0.229 4.091 4.320 0.000 0.000 0.233 165 K C 1.772 178.375 176.600 0.005 0.000 1.032 165 K CA 2.105 58.398 56.287 0.010 0.000 1.032 165 K CB -1.295 31.212 32.500 0.013 0.000 0.733 165 K HN 0.284 nan 8.250 nan 0.000 0.448 166 A N 1.765 124.590 122.820 0.009 0.000 2.462 166 A HA 0.052 4.372 4.320 0.000 0.000 0.261 166 A C 1.687 179.276 177.584 0.008 0.000 1.323 166 A CA 0.408 52.449 52.037 0.007 0.000 0.913 166 A CB -0.474 18.532 19.000 0.009 0.000 1.028 166 A HN 0.483 nan 8.150 nan 0.000 0.511 167 K N 0.207 120.613 120.400 0.010 0.000 2.163 167 K HA -0.279 4.041 4.320 0.000 0.000 0.210 167 K C 1.443 178.048 176.600 0.009 0.000 1.048 167 K CA 2.104 58.398 56.287 0.012 0.000 0.928 167 K CB -0.262 32.249 32.500 0.018 0.000 0.716 167 K HN 0.495 nan 8.250 nan 0.000 0.459 168 E N 0.336 120.540 120.200 0.006 0.000 2.152 168 E HA -0.058 4.292 4.350 0.000 0.000 0.192 168 E C 1.479 178.082 176.600 0.005 0.000 0.983 168 E CA 0.643 57.045 56.400 0.004 0.000 0.818 168 E CB 0.308 30.009 29.700 0.001 0.000 0.758 168 E HN 0.194 nan 8.360 nan 0.000 0.467 169 K N 0.148 120.551 120.400 0.005 0.000 2.361 169 K HA -0.002 4.318 4.320 0.000 0.000 0.196 169 K C 2.020 178.624 176.600 0.008 0.000 1.039 169 K CA 0.263 56.554 56.287 0.006 0.000 1.001 169 K CB 0.279 32.783 32.500 0.007 0.000 0.795 169 K HN 0.234 nan 8.250 nan 0.000 0.495 170 L N -1.977 119.251 121.223 0.007 0.000 2.416 170 L HA 0.300 4.640 4.340 0.000 0.000 0.216 170 L C 2.028 178.902 176.870 0.006 0.000 1.098 170 L CA 0.955 55.799 54.840 0.007 0.000 0.840 170 L CB -0.213 41.851 42.059 0.007 0.000 0.981 170 L HN -0.105 nan 8.230 nan 0.000 0.462 171 A N 0.139 122.963 122.820 0.007 0.000 1.968 171 A HA -0.130 4.190 4.320 0.000 0.000 0.217 171 A C 2.354 179.941 177.584 0.006 0.000 1.169 171 A CA 1.481 53.522 52.037 0.007 0.000 0.638 171 A CB -0.513 18.492 19.000 0.008 0.000 0.812 171 A HN 0.655 nan 8.150 nan 0.000 0.446 172 E N 0.527 120.731 120.200 0.006 0.000 2.276 172 E HA -0.050 4.300 4.350 0.000 0.000 0.193 172 E C 1.673 178.276 176.600 0.006 0.000 0.983 172 E CA 0.956 57.359 56.400 0.005 0.000 0.861 172 E CB -0.176 29.527 29.700 0.005 0.000 0.817 172 E HN 0.690 nan 8.360 nan 0.000 0.485 173 I N 0.411 120.985 120.570 0.007 0.000 2.928 173 I HA -0.022 4.148 4.170 0.000 0.000 0.266 173 I C 2.606 178.726 176.117 0.005 0.000 1.234 173 I CA 0.449 61.754 61.300 0.007 0.000 1.483 173 I CB -0.541 37.465 38.000 0.010 0.000 1.097 173 I HN 0.094 nan 8.210 nan 0.000 0.455 174 I N -0.922 119.650 120.570 0.003 0.000 2.480 174 I HA -0.025 4.145 4.170 0.000 0.000 0.251 174 I C 2.257 178.374 176.117 0.001 0.000 1.124 174 I CA 0.794 62.095 61.300 0.001 0.000 1.444 174 I CB -0.507 37.494 38.000 0.001 0.000 1.098 174 I HN 0.004 nan 8.210 nan 0.000 0.428 175 V N 2.566 122.481 119.914 0.002 0.000 2.255 175 V HA -0.282 3.838 4.120 0.000 0.000 0.247 175 V C 2.646 178.741 176.094 0.001 0.000 1.051 175 V CA 2.548 64.849 62.300 0.002 0.000 1.018 175 V CB -1.121 30.704 31.823 0.002 0.000 0.641 175 V HN 0.500 nan 8.190 nan 0.000 0.445 176 E N 0.721 120.923 120.200 0.003 0.000 2.130 176 E HA -0.253 4.097 4.350 0.000 0.000 0.196 176 E C 2.210 178.812 176.600 0.002 0.000 0.998 176 E CA 1.525 57.927 56.400 0.003 0.000 0.806 176 E CB -0.361 29.342 29.700 0.005 0.000 0.738 176 E HN 0.647 nan 8.360 nan 0.000 0.459 177 A N 0.782 123.602 122.820 0.001 0.000 1.975 177 A HA -0.013 4.308 4.320 0.000 0.000 0.215 177 A C 2.369 179.951 177.584 -0.002 0.000 1.170 177 A CA 0.619 52.656 52.037 0.000 0.000 0.656 177 A CB 0.053 19.052 19.000 -0.002 0.000 0.821 177 A HN 0.120 nan 8.150 nan 0.000 0.449 178 V N -0.715 119.197 119.914 -0.002 0.000 3.174 178 V HA -0.021 4.099 4.120 0.000 0.000 0.254 178 V C 2.052 178.143 176.094 -0.004 0.000 1.120 178 V CA 1.585 63.883 62.300 -0.003 0.000 1.114 178 V CB -0.035 31.786 31.823 -0.003 0.000 0.756 178 V HN 0.419 nan 8.190 nan 0.000 0.467 179 S N 0.566 116.264 115.700 -0.003 0.000 2.603 179 S HA 0.226 4.696 4.470 0.000 0.000 0.220 179 S C 1.973 176.569 174.600 -0.006 0.000 0.967 179 S CA 0.791 58.988 58.200 -0.005 0.000 0.920 179 S CB 0.131 63.329 63.200 -0.003 0.000 0.773 179 S HN 0.611 nan 8.310 nan 0.000 0.529 180 A N 1.028 123.845 122.820 -0.005 0.000 1.984 180 A HA 0.114 4.434 4.320 0.000 0.000 0.214 180 A C 2.217 179.795 177.584 -0.009 0.000 1.173 180 A CA 1.064 53.098 52.037 -0.005 0.000 0.673 180 A CB -0.434 18.566 19.000 0.000 0.000 0.830 180 A HN 0.476 nan 8.150 nan 0.000 0.453 181 V N -2.709 117.200 119.914 -0.008 0.000 2.575 181 V HA 0.179 4.299 4.120 0.000 0.000 0.242 181 V C 1.341 177.427 176.094 -0.013 0.000 1.045 181 V CA 0.587 62.882 62.300 -0.008 0.000 1.065 181 V CB -0.902 30.919 31.823 -0.005 0.000 0.717 181 V HN 0.205 nan 8.190 nan 0.000 0.467 182 V N 4.283 124.190 119.914 -0.012 0.000 2.599 182 V HA 0.217 4.337 4.120 0.000 0.000 0.300 182 V C -0.140 175.942 176.094 -0.020 0.000 1.034 182 V CA 0.283 62.574 62.300 -0.014 0.000 1.115 182 V CB 0.027 31.844 31.823 -0.011 0.000 0.934 182 V HN 0.955 nan 8.190 nan 0.000 0.485 183 D N 4.107 124.494 120.400 -0.021 0.000 2.175 183 D HA 0.361 5.001 4.640 0.000 0.000 0.248 183 D C -0.102 176.187 176.300 -0.018 0.000 1.047 183 D CA -0.546 53.439 54.000 -0.024 0.000 0.883 183 D CB 1.078 41.860 40.800 -0.031 0.000 1.180 183 D HN 0.665 nan 8.370 nan 0.000 0.438 184 D N 1.149 121.538 120.400 -0.018 0.000 2.980 184 D HA -0.260 4.380 4.640 0.000 0.000 0.218 184 D C -0.472 175.821 176.300 -0.011 0.000 1.225 184 D CA 0.488 54.480 54.000 -0.014 0.000 0.804 184 D CB -0.613 40.179 40.800 -0.012 0.000 0.906 184 D HN 0.597 nan 8.370 nan 0.000 0.396 185 E N 1.131 121.324 120.200 -0.010 0.000 3.490 185 E HA 0.040 4.390 4.350 0.000 0.000 0.232 185 E C 1.067 177.663 176.600 -0.007 0.000 0.943 185 E CA 1.243 57.638 56.400 -0.008 0.000 0.933 185 E CB -0.674 29.022 29.700 -0.008 0.000 0.890 185 E HN 0.737 nan 8.360 nan 0.000 0.576 186 G N 3.609 112.405 108.800 -0.006 0.000 2.223 186 G HA2 -0.121 3.839 3.960 0.000 0.000 0.200 186 G HA3 -0.121 3.839 3.960 0.000 0.000 0.200 186 G C -0.409 174.488 174.900 -0.005 0.000 1.061 186 G CA -0.170 44.927 45.100 -0.005 0.000 0.790 186 G HN 0.449 nan 8.290 nan 0.000 0.498 187 K N 0.451 120.848 120.400 -0.005 0.000 2.635 187 K HA 0.507 4.827 4.320 0.000 0.000 0.266 187 K C -0.404 176.192 176.600 -0.006 0.000 1.033 187 K CA -0.495 55.789 56.287 -0.005 0.000 0.919 187 K CB 1.660 34.157 32.500 -0.005 0.000 1.289 187 K HN 0.495 nan 8.250 nan 0.000 0.463 188 V N 1.895 121.806 119.914 -0.005 0.000 2.270 188 V HA 0.352 4.472 4.120 0.000 0.000 0.263 188 V C -0.649 175.442 176.094 -0.005 0.000 1.066 188 V CA -0.899 61.398 62.300 -0.005 0.000 0.857 188 V CB 0.498 32.318 31.823 -0.005 0.000 1.099 188 V HN 0.622 nan 8.190 nan 0.000 0.476 189 D N 4.199 124.596 120.400 -0.005 0.000 2.416 189 D HA 0.248 4.888 4.640 0.000 0.000 0.240 189 D C 0.954 177.251 176.300 -0.006 0.000 1.250 189 D CA -0.204 53.793 54.000 -0.005 0.000 0.967 189 D CB 0.985 41.782 40.800 -0.004 0.000 1.059 189 D HN 0.444 nan 8.370 nan 0.000 0.512 190 K N 1.467 121.863 120.400 -0.007 0.000 2.203 190 K HA -0.373 3.948 4.320 0.000 0.000 0.206 190 K C 1.327 177.921 176.600 -0.010 0.000 0.722 190 K CA 2.384 58.666 56.287 -0.008 0.000 1.026 190 K CB -0.584 31.911 32.500 -0.008 0.000 0.713 190 K HN 0.354 nan 8.250 nan 0.000 0.773 191 D N -0.826 119.568 120.400 -0.010 0.000 2.292 191 D HA -0.160 4.480 4.640 0.000 0.000 0.205 191 D C 1.310 177.601 176.300 -0.016 0.000 0.994 191 D CA 0.957 54.950 54.000 -0.013 0.000 0.897 191 D CB 0.033 40.827 40.800 -0.011 0.000 0.907 191 D HN 0.107 nan 8.370 nan 0.000 0.467 192 L N 0.032 121.248 121.223 -0.013 0.000 2.529 192 L HA 0.182 4.522 4.340 0.000 0.000 0.223 192 L C 0.328 177.188 176.870 -0.016 0.000 1.113 192 L CA 0.331 55.163 54.840 -0.013 0.000 0.861 192 L CB 0.118 42.174 42.059 -0.005 0.000 1.012 192 L HN 0.108 nan 8.230 nan 0.000 0.461 193 I N 0.428 120.988 120.570 -0.016 0.000 2.268 193 I HA 0.122 4.292 4.170 0.000 0.000 0.290 193 I C 0.538 176.640 176.117 -0.024 0.000 1.125 193 I CA -0.303 60.987 61.300 -0.018 0.000 1.236 193 I CB -0.191 37.801 38.000 -0.012 0.000 1.469 193 I HN 0.094 nan 8.210 nan 0.000 0.512 194 K N 6.905 127.286 120.400 -0.032 0.000 2.258 194 K HA 0.301 4.621 4.320 0.000 0.000 0.264 194 K C -0.285 176.292 176.600 -0.039 0.000 1.007 194 K CA -0.317 55.946 56.287 -0.040 0.000 0.941 194 K CB 0.975 33.442 32.500 -0.056 0.000 0.966 194 K HN 0.611 nan 8.250 nan 0.000 0.480 195 I N 1.339 121.886 120.570 -0.039 0.000 2.563 195 I HA 0.313 4.483 4.170 0.000 0.000 0.276 195 I C -1.071 175.023 176.117 -0.038 0.000 1.074 195 I CA -0.816 60.464 61.300 -0.032 0.000 1.124 195 I CB 0.548 38.533 38.000 -0.026 0.000 1.225 195 I HN 0.547 nan 8.210 nan 0.000 0.482 196 E N 6.476 126.648 120.200 -0.047 0.000 2.105 196 E HA 0.305 4.655 4.350 0.000 0.000 0.285 196 E C -0.382 176.200 176.600 -0.031 0.000 1.055 196 E CA -0.287 56.081 56.400 -0.053 0.000 0.843 196 E CB 0.877 30.519 29.700 -0.096 0.000 1.067 196 E HN 0.568 nan 8.360 nan 0.000 0.398 197 K N 4.149 124.538 120.400 -0.020 0.000 2.258 197 K HA 0.468 4.788 4.320 0.000 0.000 0.284 197 K C -0.223 176.382 176.600 0.007 0.000 1.051 197 K CA -0.793 55.493 56.287 -0.002 0.000 0.923 197 K CB 1.089 33.588 32.500 -0.001 0.000 1.046 197 K HN 0.114 nan 8.250 nan 0.000 0.474 198 K N 1.139 121.552 120.400 0.021 0.000 2.555 198 K HA 0.229 4.549 4.320 0.000 0.000 0.279 198 K C -1.110 175.512 176.600 0.037 0.000 0.986 198 K CA -0.781 55.526 56.287 0.034 0.000 0.880 198 K CB 2.252 34.782 32.500 0.049 0.000 1.474 198 K HN 0.746 nan 8.250 nan 0.000 0.433 199 S N 0.299 116.022 115.700 0.038 0.000 2.430 199 S HA 0.606 5.076 4.470 0.000 0.000 0.282 199 S C 0.374 174.995 174.600 0.035 0.000 1.186 199 S CA -0.200 58.021 58.200 0.034 0.000 1.060 199 S CB 0.315 63.534 63.200 0.031 0.000 0.966 199 S HN 0.841 nan 8.310 nan 0.000 0.501 200 G N 1.292 110.111 108.800 0.031 0.000 3.438 200 G HA2 0.521 4.481 3.960 0.000 0.000 0.684 200 G HA3 0.521 4.481 3.960 0.000 0.000 0.684 200 G C -0.437 174.480 174.900 0.028 0.000 1.192 200 G CA -0.338 44.778 45.100 0.027 0.000 1.013 200 G HN 1.688 nan 8.290 nan 0.000 0.530 201 A N 0.456 123.289 122.820 0.022 0.000 2.480 201 A HA 0.971 5.291 4.320 0.000 0.000 0.279 201 A C 0.219 177.813 177.584 0.016 0.000 1.013 201 A CA 0.761 52.810 52.037 0.021 0.000 0.544 201 A CB -0.260 18.752 19.000 0.020 0.000 1.576 201 A HN 2.362 nan 8.150 nan 0.000 0.719 202 S N -1.899 113.810 115.700 0.015 0.000 3.986 202 S HA 0.653 5.123 4.470 0.000 0.000 0.228 202 S C 1.056 175.665 174.600 0.014 0.000 1.044 202 S CA 0.116 58.324 58.200 0.013 0.000 1.556 202 S CB 0.128 63.333 63.200 0.009 0.000 1.056 202 S HN 1.000 nan 8.310 nan 0.000 0.715 203 I N 0.855 121.431 120.570 0.011 0.000 3.059 203 I HA 0.144 4.314 4.170 0.000 0.000 0.270 203 I C 0.282 176.406 176.117 0.011 0.000 1.238 203 I CA 0.941 62.248 61.300 0.012 0.000 1.478 203 I CB -0.805 37.200 38.000 0.009 0.000 1.097 203 I HN 0.341 nan 8.210 nan 0.000 0.455 204 D N -0.046 120.360 120.400 0.010 0.000 2.407 204 D HA -0.010 4.630 4.640 0.000 0.000 0.208 204 D C 0.578 176.885 176.300 0.012 0.000 1.083 204 D CA 0.239 54.245 54.000 0.009 0.000 0.844 204 D CB 0.136 40.940 40.800 0.006 0.000 0.967 204 D HN 0.019 nan 8.370 nan 0.000 0.506 205 D N 1.000 121.408 120.400 0.014 0.000 3.060 205 D HA 0.064 4.704 4.640 0.000 0.000 0.245 205 D C -0.364 175.951 176.300 0.024 0.000 1.274 205 D CA 0.055 54.066 54.000 0.018 0.000 0.864 205 D CB -0.217 40.595 40.800 0.019 0.000 1.073 205 D HN 0.073 nan 8.370 nan 0.000 0.473 206 T N -1.545 113.022 114.554 0.022 0.000 2.770 206 T HA 0.587 4.937 4.350 0.000 0.000 0.283 206 T C -0.196 174.519 174.700 0.025 0.000 0.988 206 T CA -0.967 61.148 62.100 0.025 0.000 0.957 206 T CB 1.570 70.450 68.868 0.019 0.000 0.930 206 T HN 0.156 nan 8.240 nan 0.000 0.443 207 E N 2.843 123.063 120.200 0.034 0.000 2.248 207 E HA 0.502 4.852 4.350 0.000 0.000 0.267 207 E C -1.104 175.518 176.600 0.038 0.000 0.877 207 E CA -1.273 55.150 56.400 0.038 0.000 0.759 207 E CB 1.788 31.520 29.700 0.053 0.000 1.182 207 E HN 0.431 nan 8.360 nan 0.000 0.418 208 L N 4.168 125.409 121.223 0.030 0.000 2.399 208 L HA 0.239 4.579 4.340 0.000 0.000 0.257 208 L C -0.185 176.705 176.870 0.033 0.000 1.236 208 L CA -0.282 54.574 54.840 0.025 0.000 1.144 208 L CB -0.199 41.870 42.059 0.017 0.000 1.379 208 L HN 0.576 nan 8.230 nan 0.000 0.414 209 I N 1.034 121.630 120.570 0.043 0.000 2.460 209 I HA 0.077 4.247 4.170 0.000 0.000 0.297 209 I C 0.657 176.794 176.117 0.033 0.000 1.139 209 I CA -0.393 60.941 61.300 0.056 0.000 1.340 209 I CB -0.123 37.928 38.000 0.085 0.000 1.444 209 I HN 0.523 nan 8.210 nan 0.000 0.557 210 K N 5.382 125.799 120.400 0.030 0.000 3.053 210 K HA 0.225 4.545 4.320 0.000 0.000 0.234 210 K C 0.501 177.113 176.600 0.019 0.000 0.848 210 K CA 0.236 56.537 56.287 0.023 0.000 1.081 210 K CB -1.095 31.416 32.500 0.019 0.000 1.020 210 K HN 0.940 nan 8.250 nan 0.000 0.293 211 G N -0.526 108.277 108.800 0.005 0.000 2.635 211 G HA2 0.414 4.374 3.960 0.000 0.000 0.194 211 G HA3 0.414 4.374 3.960 0.000 0.000 0.194 211 G C -1.528 173.344 174.900 -0.047 0.000 1.198 211 G CA -0.579 44.514 45.100 -0.011 0.000 0.972 211 G HN 0.081 nan 8.290 nan 0.000 0.520 212 V N 0.281 120.146 119.914 -0.081 0.000 2.876 212 V HA 0.711 4.831 4.120 0.000 0.000 0.312 212 V C -1.094 174.891 176.094 -0.180 0.000 1.085 212 V CA -0.665 61.556 62.300 -0.131 0.000 0.945 212 V CB 2.020 33.745 31.823 -0.164 0.000 1.017 212 V HN 0.674 nan 8.190 nan 0.000 0.428 213 L N 5.527 126.620 121.223 -0.217 0.000 2.372 213 L HA 0.743 5.083 4.340 0.000 0.000 0.273 213 L C -0.408 176.309 176.870 -0.255 0.000 0.989 213 L CA -0.445 54.189 54.840 -0.344 0.000 0.841 213 L CB 1.576 43.323 42.059 -0.520 0.000 1.225 213 L HN 0.648 nan 8.230 nan 0.000 0.414 214 V N 0.592 120.380 119.914 -0.209 0.000 3.345 214 V HA 0.575 4.695 4.120 0.000 0.000 0.308 214 V C -0.262 175.786 176.094 -0.077 0.000 1.168 214 V CA -0.559 61.663 62.300 -0.131 0.000 1.024 214 V CB 1.822 33.587 31.823 -0.097 0.000 1.211 214 V HN 0.639 nan 8.190 nan 0.000 0.461 215 D N 0.362 120.744 120.400 -0.030 0.000 2.755 215 D HA 0.311 4.951 4.640 0.000 0.000 0.257 215 D C -0.103 176.216 176.300 0.031 0.000 1.291 215 D CA 0.013 54.010 54.000 -0.005 0.000 0.836 215 D CB 0.087 40.876 40.800 -0.019 0.000 1.059 215 D HN 0.520 nan 8.370 nan 0.000 0.486 216 K N 0.621 121.062 120.400 0.067 0.000 2.203 216 K HA 0.409 4.729 4.320 0.000 0.000 0.251 216 K C 0.369 177.019 176.600 0.083 0.000 0.944 216 K CA -0.601 55.736 56.287 0.083 0.000 0.829 216 K CB 2.397 34.943 32.500 0.078 0.000 1.125 216 K HN 0.101 nan 8.250 nan 0.000 0.430 217 E N 1.382 121.617 120.200 0.058 0.000 2.285 217 E HA 0.394 4.744 4.350 0.000 0.000 0.254 217 E C -0.529 176.086 176.600 0.024 0.000 1.011 217 E CA -1.076 55.353 56.400 0.048 0.000 0.873 217 E CB 1.174 30.900 29.700 0.043 0.000 1.229 217 E HN 0.204 nan 8.360 nan 0.000 0.422 218 R N 1.171 121.679 120.500 0.014 0.000 2.408 218 R HA 0.136 4.476 4.340 0.000 0.000 0.308 218 R C 0.770 177.064 176.300 -0.010 0.000 1.210 218 R CA -0.174 55.919 56.100 -0.012 0.000 1.115 218 R CB 0.493 30.785 30.300 -0.013 0.000 1.127 218 R HN 0.392 nan 8.270 nan 0.000 0.523 219 V N 1.787 121.693 119.914 -0.013 0.000 2.308 219 V HA -0.363 3.757 4.120 0.000 0.000 0.252 219 V C 1.041 177.132 176.094 -0.005 0.000 1.066 219 V CA 2.401 64.696 62.300 -0.009 0.000 1.104 219 V CB -0.136 31.678 31.823 -0.014 0.000 0.786 219 V HN 0.749 nan 8.190 nan 0.000 0.473 220 S N -1.885 113.808 115.700 -0.011 0.000 2.475 220 S HA 0.647 5.117 4.470 0.000 0.000 0.298 220 S C 0.550 175.143 174.600 -0.012 0.000 1.119 220 S CA -0.162 58.035 58.200 -0.005 0.000 1.085 220 S CB 1.781 64.976 63.200 -0.009 0.000 1.028 220 S HN 0.602 nan 8.310 nan 0.000 0.489 221 A N 3.902 126.720 122.820 -0.003 0.000 2.030 221 A HA 0.094 4.414 4.320 0.000 0.000 0.215 221 A C 1.995 179.569 177.584 -0.017 0.000 1.164 221 A CA 0.379 52.414 52.037 -0.004 0.000 0.697 221 A CB -0.398 18.607 19.000 0.010 0.000 0.827 221 A HN 0.779 nan 8.150 nan 0.000 0.457 222 Q N -0.234 119.547 119.800 -0.032 0.000 2.226 222 Q HA -0.019 4.321 4.340 0.000 0.000 0.204 222 Q C 0.381 176.345 176.000 -0.060 0.000 0.975 222 Q CA 0.728 56.490 55.803 -0.068 0.000 0.866 222 Q CB -0.399 28.243 28.738 -0.159 0.000 0.915 222 Q HN 0.698 nan 8.270 nan 0.000 0.440 223 M N 2.741 122.312 119.600 -0.048 0.000 2.184 223 M HA 0.118 4.598 4.480 0.000 0.000 0.351 223 M C -1.988 174.293 176.300 -0.033 0.000 1.395 223 M CA -1.272 54.002 55.300 -0.044 0.000 1.117 223 M CB 0.461 33.033 32.600 -0.047 0.000 1.708 223 M HN -0.157 nan 8.290 nan 0.000 0.468 224 P HA -0.221 nan 4.420 nan 0.000 0.019 224 P C -0.424 176.866 177.300 -0.016 0.000 0.498 224 P CA 0.612 63.699 63.100 -0.023 0.000 1.036 224 P CB -0.311 31.378 31.700 -0.019 0.000 1.898 225 K N 0.795 121.189 120.400 -0.010 0.000 2.643 225 K HA 0.040 4.360 4.320 0.000 0.000 0.193 225 K C 0.916 177.519 176.600 0.005 0.000 1.027 225 K CA 0.652 56.938 56.287 -0.002 0.000 1.033 225 K CB 0.036 32.536 32.500 -0.001 0.000 0.827 225 K HN 0.509 nan 8.250 nan 0.000 0.500 226 K N -0.651 119.753 120.400 0.006 0.000 2.707 226 K HA 0.098 4.418 4.320 0.000 0.000 0.275 226 K C -1.766 174.838 176.600 0.008 0.000 1.060 226 K CA -0.271 56.023 56.287 0.011 0.000 0.969 226 K CB 1.106 33.607 32.500 0.003 0.000 1.379 226 K HN -0.198 nan 8.250 nan 0.000 0.409 227 V N 1.310 121.233 119.914 0.016 0.000 2.656 227 V HA 0.436 4.556 4.120 0.000 0.000 0.307 227 V C 1.091 177.197 176.094 0.020 0.000 1.051 227 V CA -0.745 61.564 62.300 0.014 0.000 0.893 227 V CB 1.268 33.097 31.823 0.010 0.000 0.999 227 V HN 1.019 nan 8.190 nan 0.000 0.426 228 T N 0.870 115.432 114.554 0.014 0.000 4.971 228 T HA 0.023 4.373 4.350 0.000 0.000 0.217 228 T C 0.171 174.883 174.700 0.020 0.000 0.770 228 T CA 0.523 62.632 62.100 0.015 0.000 2.187 228 T CB -0.215 68.659 68.868 0.009 0.000 1.552 228 T HN 0.598 nan 8.240 nan 0.000 0.277 229 D N 1.899 122.309 120.400 0.016 0.000 2.468 229 D HA 0.592 5.232 4.640 0.000 0.000 0.218 229 D C -0.381 175.930 176.300 0.019 0.000 1.155 229 D CA 0.081 54.092 54.000 0.019 0.000 0.924 229 D CB 0.198 41.007 40.800 0.016 0.000 1.029 229 D HN 0.777 nan 8.370 nan 0.000 0.515 230 A N 2.729 125.565 122.820 0.027 0.000 2.340 230 A HA 0.467 4.787 4.320 0.000 0.000 0.268 230 A C 0.053 177.657 177.584 0.032 0.000 1.100 230 A CA -0.540 51.515 52.037 0.030 0.000 0.803 230 A CB 0.549 19.577 19.000 0.047 0.000 1.043 230 A HN 0.232 nan 8.150 nan 0.000 0.488 231 K N 2.447 122.864 120.400 0.027 0.000 2.432 231 K HA 0.428 4.748 4.320 0.000 0.000 0.226 231 K C -0.740 175.884 176.600 0.041 0.000 1.057 231 K CA -0.278 56.026 56.287 0.027 0.000 1.034 231 K CB -0.046 32.464 32.500 0.016 0.000 1.561 231 K HN 0.554 nan 8.250 nan 0.000 0.492 232 I N 1.625 122.238 120.570 0.071 0.000 3.003 232 I HA 0.090 4.260 4.170 0.000 0.000 0.294 232 I C 0.574 176.749 176.117 0.096 0.000 1.237 232 I CA 0.488 61.863 61.300 0.124 0.000 1.417 232 I CB 0.398 38.519 38.000 0.201 0.000 1.340 232 I HN 0.567 nan 8.210 nan 0.000 0.594 233 A N 6.376 129.272 122.820 0.126 0.000 2.475 233 A HA 0.835 5.155 4.320 0.000 0.000 0.301 233 A C -1.154 176.503 177.584 0.122 0.000 1.059 233 A CA -0.607 51.480 52.037 0.082 0.000 0.710 233 A CB 1.261 20.288 19.000 0.045 0.000 1.288 233 A HN 0.573 nan 8.150 nan 0.000 0.408 234 L N 2.996 124.269 121.223 0.082 0.000 2.345 234 L HA 0.434 4.774 4.340 0.000 0.000 0.274 234 L C -1.082 175.824 176.870 0.061 0.000 0.999 234 L CA -0.269 54.626 54.840 0.091 0.000 0.849 234 L CB 1.242 43.332 42.059 0.052 0.000 1.220 234 L HN 0.567 nan 8.230 nan 0.000 0.422 235 L N 3.375 124.638 121.223 0.067 0.000 2.307 235 L HA 0.346 4.686 4.340 0.000 0.000 0.284 235 L C 0.590 177.488 176.870 0.046 0.000 1.023 235 L CA -0.270 54.597 54.840 0.046 0.000 0.810 235 L CB 2.050 44.134 42.059 0.042 0.000 1.231 235 L HN 0.602 nan 8.230 nan 0.000 0.423 236 N N 1.499 120.218 118.700 0.032 0.000 2.294 236 N HA -0.042 4.698 4.740 0.000 0.000 0.186 236 N C 0.099 175.623 175.510 0.023 0.000 1.107 236 N CA -0.063 53.004 53.050 0.027 0.000 0.884 236 N CB 0.352 38.850 38.487 0.020 0.000 1.030 236 N HN 0.481 nan 8.380 nan 0.000 0.482 237 C N 2.206 121.519 119.300 0.021 0.000 2.265 237 C HA 0.799 5.259 4.460 0.000 0.000 0.332 237 C C 0.710 175.712 174.990 0.019 0.000 1.248 237 C CA -0.853 58.176 59.018 0.018 0.000 1.727 237 C CB -1.604 26.145 27.740 0.015 0.000 2.348 237 C HN 0.582 nan 8.230 nan 0.000 0.519 238 A N 5.862 128.692 122.820 0.017 0.000 1.984 238 A HA -0.171 4.149 4.320 0.000 0.000 0.335 238 A C 0.745 178.339 177.584 0.017 0.000 0.768 238 A CA 0.757 52.803 52.037 0.016 0.000 1.493 238 A CB -0.450 18.558 19.000 0.014 0.000 0.622 238 A HN 1.190 nan 8.150 nan 0.000 0.227 239 I N 1.294 121.874 120.570 0.017 0.000 3.609 239 I HA -0.002 4.168 4.170 0.000 0.000 0.305 239 I C 1.060 177.189 176.117 0.020 0.000 1.239 239 I CA 0.662 61.973 61.300 0.020 0.000 1.191 239 I CB -0.347 37.666 38.000 0.022 0.000 1.020 239 I HN 0.759 nan 8.210 nan 0.000 0.471 240 E N 1.199 121.409 120.200 0.017 0.000 2.103 240 E HA 0.278 4.628 4.350 0.000 0.000 0.254 240 E C -0.674 175.934 176.600 0.015 0.000 0.940 240 E CA -0.481 55.928 56.400 0.014 0.000 0.771 240 E CB 0.557 30.264 29.700 0.011 0.000 1.153 240 E HN 0.134 nan 8.360 nan 0.000 0.428 241 E N 2.059 122.269 120.200 0.016 0.000 2.410 241 E HA 0.284 4.634 4.350 0.000 0.000 0.269 241 E C -0.771 175.837 176.600 0.014 0.000 0.937 241 E CA -1.068 55.342 56.400 0.016 0.000 0.793 241 E CB 1.955 31.668 29.700 0.022 0.000 1.314 241 E HN 0.374 nan 8.360 nan 0.000 0.447 242 T N 1.336 115.897 114.554 0.012 0.000 2.750 242 T HA 0.334 4.684 4.350 0.000 0.000 0.286 242 T C 0.231 174.938 174.700 0.011 0.000 0.911 242 T CA 0.015 62.120 62.100 0.009 0.000 1.130 242 T CB -0.227 68.644 68.868 0.006 0.000 0.873 242 T HN 0.577 nan 8.240 nan 0.000 0.536 243 A N 3.956 126.781 122.820 0.008 0.000 2.243 243 A HA 0.094 4.414 4.320 0.000 0.000 0.304 243 A C 1.249 178.843 177.584 0.016 0.000 1.136 243 A CA 1.001 53.043 52.037 0.007 0.000 1.385 243 A CB -1.053 17.943 19.000 -0.007 0.000 0.753 243 A HN 1.577 nan 8.150 nan 0.000 0.307 244 S N 0.526 116.240 115.700 0.024 0.000 3.973 244 S HA -0.309 4.161 4.470 0.000 0.000 0.627 244 S C 1.322 175.967 174.600 0.076 0.000 2.126 244 S CA 2.039 60.269 58.200 0.050 0.000 4.069 244 S CB -1.771 61.449 63.200 0.034 0.000 0.220 244 S HN 1.997 nan 8.310 nan 0.000 0.739 245 E N -0.123 120.118 120.200 0.069 0.000 2.813 245 E HA -0.376 3.974 4.350 0.000 0.000 0.233 245 E C 1.894 178.526 176.600 0.054 0.000 0.922 245 E CA 2.615 59.048 56.400 0.054 0.000 1.351 245 E CB -0.628 29.091 29.700 0.032 0.000 1.349 245 E HN 0.622 nan 8.360 nan 0.000 0.485 246 M N -0.426 119.198 119.600 0.040 0.000 2.267 246 M HA -0.189 4.291 4.480 0.000 0.000 0.263 246 M C 2.227 178.554 176.300 0.045 0.000 1.063 246 M CA 0.763 56.084 55.300 0.034 0.000 1.090 246 M CB -0.021 32.593 32.600 0.024 0.000 1.392 246 M HN 0.241 nan 8.290 nan 0.000 0.422 247 L N 0.084 121.345 121.223 0.062 0.000 2.131 247 L HA -0.116 4.224 4.340 0.000 0.000 0.206 247 L C 2.097 179.050 176.870 0.138 0.000 1.087 247 L CA 1.871 56.759 54.840 0.081 0.000 0.767 247 L CB -0.633 41.464 42.059 0.064 0.000 0.917 247 L HN 0.160 nan 8.230 nan 0.000 0.441 248 K N -1.248 119.256 120.400 0.173 0.000 2.186 248 K HA -0.095 4.225 4.320 0.000 0.000 0.202 248 K C 1.066 177.679 176.600 0.021 0.000 1.052 248 K CA 0.856 57.239 56.287 0.160 0.000 0.965 248 K CB 0.152 32.732 32.500 0.135 0.000 0.746 248 K HN 0.156 nan 8.250 nan 0.000 0.457 249 D N 0.201 120.612 120.400 0.018 0.000 2.340 249 D HA 0.048 4.688 4.640 0.000 0.000 0.220 249 D C 1.304 177.607 176.300 0.004 0.000 1.039 249 D CA 0.383 54.378 54.000 -0.009 0.000 0.866 249 D CB 0.292 41.089 40.800 -0.006 0.000 0.913 249 D HN 0.240 nan 8.370 nan 0.000 0.523 250 M N -0.834 118.779 119.600 0.022 0.000 2.236 250 M HA -0.073 4.407 4.480 0.000 0.000 0.266 250 M C 1.874 178.188 176.300 0.025 0.000 1.070 250 M CA 0.793 56.107 55.300 0.024 0.000 1.137 250 M CB 0.426 33.045 32.600 0.031 0.000 1.378 250 M HN -0.093 nan 8.290 nan 0.000 0.426 251 V N -0.402 119.536 119.914 0.041 0.000 2.535 251 V HA -0.004 4.116 4.120 0.000 0.000 0.246 251 V C 2.497 178.587 176.094 -0.007 0.000 1.045 251 V CA 1.412 63.737 62.300 0.042 0.000 1.058 251 V CB -1.248 30.649 31.823 0.123 0.000 0.689 251 V HN 0.447 nan 8.190 nan 0.000 0.461 252 A N -0.175 122.615 122.820 -0.051 0.000 2.131 252 A HA -0.238 4.082 4.320 0.000 0.000 0.220 252 A C 2.231 179.792 177.584 -0.039 0.000 1.158 252 A CA 1.831 53.828 52.037 -0.068 0.000 0.665 252 A CB -0.372 18.562 19.000 -0.109 0.000 0.795 252 A HN 0.467 nan 8.150 nan 0.000 0.460 253 E N 0.073 120.261 120.200 -0.020 0.000 2.170 253 E HA -0.030 4.320 4.350 0.000 0.000 0.191 253 E C 1.791 178.386 176.600 -0.008 0.000 0.981 253 E CA 0.681 57.074 56.400 -0.012 0.000 0.830 253 E CB -0.191 29.506 29.700 -0.006 0.000 0.775 253 E HN 0.706 nan 8.360 nan 0.000 0.470 254 I N 0.593 121.159 120.570 -0.006 0.000 2.286 254 I HA -0.214 3.956 4.170 0.000 0.000 0.245 254 I C 2.514 178.626 176.117 -0.009 0.000 1.104 254 I CA 1.025 62.322 61.300 -0.004 0.000 1.397 254 I CB -0.184 37.815 38.000 -0.002 0.000 1.072 254 I HN -0.025 nan 8.210 nan 0.000 0.417 255 K N 1.590 121.981 120.400 -0.015 0.000 2.280 255 K HA -0.113 4.207 4.320 0.000 0.000 0.202 255 K C 1.925 178.514 176.600 -0.018 0.000 1.047 255 K CA 1.295 57.571 56.287 -0.019 0.000 0.942 255 K CB -0.025 32.459 32.500 -0.027 0.000 0.739 255 K HN 0.318 nan 8.250 nan 0.000 0.457 256 A N -0.616 122.193 122.820 -0.017 0.000 2.072 256 A HA 0.035 4.355 4.320 0.000 0.000 0.216 256 A C 2.040 179.618 177.584 -0.010 0.000 1.156 256 A CA 1.146 53.174 52.037 -0.015 0.000 0.701 256 A CB -0.255 18.735 19.000 -0.017 0.000 0.816 256 A HN 0.298 nan 8.150 nan 0.000 0.458 257 S N -1.725 113.970 115.700 -0.008 0.000 2.297 257 S HA 0.362 4.832 4.470 0.000 0.000 0.200 257 S C 1.482 176.080 174.600 -0.003 0.000 1.011 257 S CA 1.294 59.492 58.200 -0.004 0.000 0.938 257 S CB 0.082 63.281 63.200 -0.001 0.000 0.924 257 S HN 0.931 nan 8.310 nan 0.000 0.504 258 G N -0.755 108.043 108.800 -0.003 0.000 4.469 258 G HA2 0.364 4.324 3.960 0.000 0.000 0.183 258 G HA3 0.364 4.324 3.960 0.000 0.000 0.183 258 G C -0.160 174.740 174.900 -0.000 0.000 0.797 258 G CA 0.312 45.411 45.100 -0.001 0.000 0.770 258 G HN 0.659 nan 8.290 nan 0.000 0.484 259 A N 1.764 124.582 122.820 -0.002 0.000 2.391 259 A HA 0.513 4.833 4.320 0.000 0.000 0.316 259 A C 1.407 178.984 177.584 -0.012 0.000 1.381 259 A CA 0.367 52.402 52.037 -0.003 0.000 0.998 259 A CB -0.090 18.907 19.000 -0.005 0.000 1.147 259 A HN 0.506 nan 8.150 nan 0.000 0.545 260 N N 2.542 121.236 118.700 -0.009 0.000 2.182 260 N HA -0.176 4.564 4.740 0.000 0.000 0.192 260 N C -0.010 175.482 175.510 -0.029 0.000 1.007 260 N CA 2.654 55.696 53.050 -0.013 0.000 0.873 260 N CB -0.251 38.230 38.487 -0.011 0.000 0.998 260 N HN 0.346 nan 8.380 nan 0.000 0.436 261 V N -0.589 119.306 119.914 -0.032 0.000 3.012 261 V HA 0.600 4.720 4.120 0.000 0.000 0.307 261 V C -1.019 175.018 176.094 -0.094 0.000 1.166 261 V CA -0.961 61.292 62.300 -0.077 0.000 0.974 261 V CB 2.001 33.827 31.823 0.004 0.000 1.040 261 V HN 0.273 nan 8.190 nan 0.000 0.428 262 L N 3.165 124.229 121.223 -0.265 0.000 2.545 262 L HA 0.695 5.035 4.340 0.000 0.000 0.258 262 L C -2.230 174.383 176.870 -0.429 0.000 0.942 262 L CA -0.239 54.494 54.840 -0.178 0.000 0.855 262 L CB 2.335 44.333 42.059 -0.102 0.000 1.374 262 L HN 0.588 nan 8.230 nan 0.000 0.411 263 F N 3.574 123.525 119.950 0.003 0.000 2.577 263 F HA 0.418 4.945 4.527 0.000 0.000 0.344 263 F C -0.059 175.741 175.800 0.001 0.000 1.145 263 F CA -0.720 57.281 58.000 0.001 0.000 0.996 263 F CB 1.407 40.404 39.000 -0.004 0.000 1.248 263 F HN 0.485 nan 8.300 nan 0.000 0.447 264 C N 1.926 121.288 119.300 0.103 0.000 2.295 264 C HA 0.422 4.882 4.460 0.000 0.000 0.331 264 C C 1.660 176.691 174.990 0.068 0.000 1.280 264 C CA -0.766 58.293 59.018 0.068 0.000 1.746 264 C CB 0.769 28.528 27.740 0.033 0.000 2.328 264 C HN 1.042 nan 8.230 nan 0.000 0.521 265 Q N 1.759 121.594 119.800 0.057 0.000 2.082 265 Q HA -0.186 4.154 4.340 0.000 0.000 0.211 265 Q C 1.044 177.064 176.000 0.034 0.000 1.002 265 Q CA 1.818 57.646 55.803 0.042 0.000 0.868 265 Q CB 0.176 28.932 28.738 0.029 0.000 0.931 265 Q HN 0.744 nan 8.270 nan 0.000 0.414 266 K N -0.613 119.805 120.400 0.029 0.000 2.240 266 K HA 0.318 4.638 4.320 0.000 0.000 0.237 266 K C 0.444 177.057 176.600 0.021 0.000 1.027 266 K CA 0.164 56.464 56.287 0.022 0.000 0.937 266 K CB 0.240 32.751 32.500 0.018 0.000 1.171 266 K HN 0.276 nan 8.250 nan 0.000 0.479 267 G N 0.151 108.960 108.800 0.015 0.000 2.393 267 G HA2 0.374 4.334 3.960 0.000 0.000 0.268 267 G HA3 0.374 4.334 3.960 0.000 0.000 0.268 267 G C -0.211 174.695 174.900 0.010 0.000 1.472 267 G CA -0.273 44.834 45.100 0.012 0.000 1.059 267 G HN 0.476 nan 8.290 nan 0.000 0.555 268 I N -0.640 119.934 120.570 0.006 0.000 2.750 268 I HA 0.142 4.312 4.170 0.000 0.000 0.284 268 I C -1.751 174.366 176.117 0.000 0.000 1.498 268 I CA -0.677 60.626 61.300 0.004 0.000 1.078 268 I CB 2.213 40.214 38.000 0.001 0.000 1.423 268 I HN 0.589 nan 8.210 nan 0.000 0.423 269 D N 3.050 123.450 120.400 -0.001 0.000 2.268 269 D HA 0.324 4.964 4.640 0.000 0.000 0.249 269 D C 0.377 176.664 176.300 -0.022 0.000 1.008 269 D CA -0.191 53.803 54.000 -0.010 0.000 0.939 269 D CB 1.860 42.654 40.800 -0.009 0.000 1.170 269 D HN 0.509 nan 8.370 nan 0.000 0.468 270 D N 0.849 121.230 120.400 -0.032 0.000 2.317 270 D HA 0.020 4.660 4.640 0.000 0.000 0.211 270 D C 1.528 177.787 176.300 -0.068 0.000 0.966 270 D CA 0.339 54.318 54.000 -0.036 0.000 0.876 270 D CB 0.142 40.919 40.800 -0.038 0.000 0.927 270 D HN 0.291 nan 8.370 nan 0.000 0.519 271 L N -0.119 121.043 121.223 -0.102 0.000 2.240 271 L HA 0.044 4.384 4.340 0.000 0.000 0.211 271 L C 2.105 178.831 176.870 -0.239 0.000 1.106 271 L CA 0.467 55.182 54.840 -0.208 0.000 0.793 271 L CB -0.089 41.834 42.059 -0.227 0.000 0.927 271 L HN 0.001 nan 8.230 nan 0.000 0.446 272 A N -0.118 122.650 122.820 -0.087 0.000 1.851 272 A HA -0.307 4.013 4.320 0.000 0.000 0.216 272 A C 2.077 179.680 177.584 0.032 0.000 1.195 272 A CA 2.050 54.093 52.037 0.010 0.000 0.622 272 A CB -0.641 18.393 19.000 0.057 0.000 0.831 272 A HN 0.564 nan 8.150 nan 0.000 0.444 273 Q N -1.193 118.615 119.800 0.013 0.000 2.364 273 Q HA -0.142 4.198 4.340 0.000 0.000 0.207 273 Q C 1.869 177.886 176.000 0.027 0.000 0.970 273 Q CA 1.135 56.949 55.803 0.017 0.000 0.888 273 Q CB -0.338 28.401 28.738 0.002 0.000 0.951 273 Q HN 0.835 nan 8.270 nan 0.000 0.469 274 H N -0.629 118.391 119.070 -0.083 0.000 2.521 274 H HA -0.101 4.455 4.556 0.000 0.000 0.286 274 H C 0.723 176.045 175.328 -0.011 0.000 1.034 274 H CA 1.128 57.120 56.048 -0.093 0.000 1.278 274 H CB 0.382 30.055 29.762 -0.149 0.000 1.386 274 H HN 0.301 nan 8.280 nan 0.000 0.567 275 Y N -0.508 119.830 120.300 0.063 0.000 2.343 275 Y HA -0.063 4.487 4.550 0.000 0.000 0.294 275 Y C 2.423 178.303 175.900 -0.032 0.000 1.122 275 Y CA 0.013 58.129 58.100 0.026 0.000 1.173 275 Y CB -0.306 38.178 38.460 0.040 0.000 1.077 275 Y HN 0.129 nan 8.280 nan 0.000 0.542 276 L N -0.513 120.789 121.223 0.132 0.000 2.141 276 L HA -0.076 4.264 4.340 0.000 0.000 0.209 276 L C 2.370 179.237 176.870 -0.004 0.000 1.094 276 L CA 1.728 56.593 54.840 0.042 0.000 0.763 276 L CB -1.722 40.346 42.059 0.016 0.000 0.908 276 L HN 0.168 nan 8.230 nan 0.000 0.437 277 A N -0.753 122.047 122.820 -0.033 0.000 1.968 277 A HA -0.169 4.151 4.320 0.000 0.000 0.217 277 A C 2.275 179.799 177.584 -0.100 0.000 1.169 277 A CA 0.915 52.905 52.037 -0.078 0.000 0.638 277 A CB -0.260 18.681 19.000 -0.099 0.000 0.812 277 A HN 0.297 nan 8.150 nan 0.000 0.446 278 K N -0.194 120.134 120.400 -0.120 0.000 2.077 278 K HA -0.249 4.071 4.320 0.000 0.000 0.213 278 K C 1.775 178.356 176.600 -0.032 0.000 1.051 278 K CA 2.133 58.379 56.287 -0.069 0.000 0.929 278 K CB -0.200 32.306 32.500 0.010 0.000 0.715 278 K HN 0.652 nan 8.250 nan 0.000 0.451 279 E N -1.586 118.601 120.200 -0.021 0.000 2.318 279 E HA -0.001 4.349 4.350 0.000 0.000 0.193 279 E C 1.014 177.600 176.600 -0.024 0.000 0.998 279 E CA 0.517 56.904 56.400 -0.022 0.000 0.859 279 E CB 0.526 30.212 29.700 -0.023 0.000 0.812 279 E HN 0.528 nan 8.360 nan 0.000 0.492 280 G N 1.000 109.783 108.800 -0.028 0.000 2.184 280 G HA2 -0.199 3.761 3.960 0.000 0.000 0.206 280 G HA3 -0.199 3.761 3.960 0.000 0.000 0.206 280 G C 0.251 175.133 174.900 -0.029 0.000 0.995 280 G CA -0.287 44.797 45.100 -0.028 0.000 0.651 280 G HN 0.134 nan 8.290 nan 0.000 0.511 281 I N 2.449 123.001 120.570 -0.030 0.000 2.752 281 I HA 0.220 4.390 4.170 0.000 0.000 0.286 281 I C 1.472 177.557 176.117 -0.053 0.000 1.180 281 I CA 0.184 61.461 61.300 -0.038 0.000 1.404 281 I CB 0.109 38.092 38.000 -0.029 0.000 1.389 281 I HN 0.214 nan 8.210 nan 0.000 0.549 282 V N 4.042 123.911 119.914 -0.074 0.000 2.904 282 V HA 0.943 5.064 4.120 0.000 0.000 0.305 282 V C 0.154 176.153 176.094 -0.158 0.000 1.067 282 V CA -0.456 61.781 62.300 -0.105 0.000 1.044 282 V CB 1.478 33.238 31.823 -0.106 0.000 1.050 282 V HN 0.930 nan 8.190 nan 0.000 0.475 283 A N 2.591 125.309 122.820 -0.171 0.000 2.604 283 A HA 0.931 5.251 4.320 0.000 0.000 0.295 283 A C -0.447 177.021 177.584 -0.192 0.000 1.067 283 A CA -0.330 51.586 52.037 -0.202 0.000 0.683 283 A CB 1.593 20.531 19.000 -0.103 0.000 1.281 283 A HN 2.424 nan 8.150 nan 0.000 0.407 284 A N 1.730 124.422 122.820 -0.213 0.000 2.763 284 A HA 0.658 4.978 4.320 0.000 0.000 0.325 284 A C 0.175 177.753 177.584 -0.010 0.000 1.209 284 A CA -0.636 51.332 52.037 -0.115 0.000 0.764 284 A CB 0.010 18.962 19.000 -0.080 0.000 1.120 284 A HN 1.595 nan 8.150 nan 0.000 0.463 285 R N 1.185 121.685 120.500 0.000 0.000 3.463 285 R HA -0.237 4.103 4.340 0.000 0.000 0.150 285 R C 0.921 177.243 176.300 0.036 0.000 0.738 285 R CA 1.570 57.680 56.100 0.017 0.000 0.847 285 R CB -0.580 29.726 30.300 0.010 0.000 1.077 285 R HN 0.862 nan 8.270 nan 0.000 0.301 286 R N 0.884 121.404 120.500 0.032 0.000 4.010 286 R HA -0.248 4.092 4.340 0.000 0.000 0.373 286 R C 0.033 176.356 176.300 0.038 0.000 1.197 286 R CA 1.489 57.607 56.100 0.031 0.000 1.293 286 R CB -1.548 28.765 30.300 0.021 0.000 1.793 286 R HN 0.529 nan 8.270 nan 0.000 0.575 287 V N 1.905 121.854 119.914 0.058 0.000 2.800 287 V HA -0.240 3.880 4.120 0.000 0.000 0.299 287 V C 1.124 177.245 176.094 0.045 0.000 1.151 287 V CA 1.134 63.475 62.300 0.068 0.000 1.297 287 V CB -0.142 31.761 31.823 0.133 0.000 0.835 287 V HN 0.194 nan 8.190 nan 0.000 0.484 288 K N 4.276 124.689 120.400 0.023 0.000 2.107 288 K HA 0.198 4.518 4.320 0.000 0.000 0.251 288 K C 1.338 177.939 176.600 0.003 0.000 1.012 288 K CA -0.538 55.756 56.287 0.011 0.000 0.920 288 K CB 0.834 33.336 32.500 0.004 0.000 1.033 288 K HN 0.634 nan 8.250 nan 0.000 0.478 289 K N 1.252 121.653 120.400 0.002 0.000 2.097 289 K HA -0.308 4.012 4.320 0.000 0.000 0.214 289 K C 1.489 178.081 176.600 -0.014 0.000 1.052 289 K CA 2.493 58.778 56.287 -0.004 0.000 0.932 289 K CB -0.267 32.233 32.500 0.001 0.000 0.716 289 K HN 0.600 nan 8.250 nan 0.000 0.455 290 S N 1.230 116.920 115.700 -0.017 0.000 2.433 290 S HA -0.245 4.225 4.470 0.000 0.000 0.276 290 S C 1.354 175.928 174.600 -0.043 0.000 1.122 290 S CA 2.253 60.437 58.200 -0.026 0.000 1.277 290 S CB -0.726 62.459 63.200 -0.024 0.000 1.198 290 S HN 0.540 nan 8.310 nan 0.000 0.440 291 D N -0.442 119.928 120.400 -0.050 0.000 2.349 291 D HA 0.272 4.912 4.640 0.000 0.000 0.214 291 D C 1.522 177.754 176.300 -0.113 0.000 1.063 291 D CA -0.019 53.928 54.000 -0.089 0.000 0.847 291 D CB -0.150 40.596 40.800 -0.089 0.000 0.933 291 D HN 0.079 nan 8.370 nan 0.000 0.513 292 M N 0.562 120.122 119.600 -0.067 0.000 2.073 292 M HA -0.144 4.336 4.480 0.000 0.000 0.258 292 M C 1.206 177.474 176.300 -0.053 0.000 1.070 292 M CA 1.720 56.992 55.300 -0.047 0.000 1.103 292 M CB -0.492 32.101 32.600 -0.012 0.000 1.321 292 M HN 0.006 nan 8.290 nan 0.000 0.405 293 E N -1.790 118.382 120.200 -0.046 0.000 2.481 293 E HA 0.020 4.370 4.350 0.000 0.000 0.198 293 E C 1.556 178.126 176.600 -0.050 0.000 1.027 293 E CA -0.096 56.279 56.400 -0.041 0.000 0.900 293 E CB 0.242 29.927 29.700 -0.026 0.000 0.993 293 E HN 0.447 nan 8.360 nan 0.000 0.482 294 K N 0.771 121.129 120.400 -0.070 0.000 1.984 294 K HA -0.071 4.249 4.320 0.000 0.000 0.209 294 K C 1.813 178.344 176.600 -0.115 0.000 1.046 294 K CA 1.025 57.260 56.287 -0.088 0.000 0.934 294 K CB -0.082 32.370 32.500 -0.080 0.000 0.717 294 K HN 0.060 nan 8.250 nan 0.000 0.438 295 L N 0.600 121.722 121.223 -0.169 0.000 2.275 295 L HA -0.110 4.230 4.340 0.000 0.000 0.215 295 L C 2.346 179.125 176.870 -0.152 0.000 1.119 295 L CA 0.641 55.338 54.840 -0.238 0.000 0.790 295 L CB -0.258 41.545 42.059 -0.426 0.000 0.919 295 L HN 0.266 nan 8.230 nan 0.000 0.443 296 A N -0.192 122.566 122.820 -0.105 0.000 1.943 296 A HA -0.097 4.223 4.320 0.000 0.000 0.213 296 A C 2.253 179.794 177.584 -0.072 0.000 1.181 296 A CA 0.828 52.820 52.037 -0.075 0.000 0.653 296 A CB -0.089 18.879 19.000 -0.053 0.000 0.833 296 A HN 0.242 nan 8.150 nan 0.000 0.451 297 K N 0.427 120.798 120.400 -0.049 0.000 2.097 297 K HA 0.046 4.366 4.320 0.000 0.000 0.205 297 K C 2.158 178.746 176.600 -0.020 0.000 1.050 297 K CA 1.006 57.282 56.287 -0.018 0.000 0.938 297 K CB -0.351 32.157 32.500 0.013 0.000 0.718 297 K HN 0.426 nan 8.250 nan 0.000 0.442 298 A N 1.431 124.224 122.820 -0.046 0.000 1.904 298 A HA -0.239 4.081 4.320 0.000 0.000 0.207 298 A C 2.248 179.807 177.584 -0.042 0.000 1.231 298 A CA 2.729 54.740 52.037 -0.045 0.000 0.655 298 A CB -1.736 17.218 19.000 -0.077 0.000 0.875 298 A HN 0.473 nan 8.150 nan 0.000 0.478 299 T N -2.659 111.864 114.554 -0.052 0.000 2.582 299 T HA -0.134 4.216 4.350 0.000 0.000 0.238 299 T C 1.862 176.518 174.700 -0.074 0.000 1.283 299 T CA 3.406 65.479 62.100 -0.045 0.000 1.101 299 T CB -1.432 67.423 68.868 -0.021 0.000 0.823 299 T HN 2.513 nan 8.240 nan 0.000 0.467 300 G N 0.782 109.509 108.800 -0.122 0.000 2.148 300 G HA2 0.323 4.283 3.960 0.000 0.000 0.157 300 G HA3 0.323 4.283 3.960 0.000 0.000 0.157 300 G C 0.210 175.001 174.900 -0.182 0.000 1.012 300 G CA 0.378 45.334 45.100 -0.241 0.000 0.677 300 G HN 1.510 nan 8.290 nan 0.000 0.506 301 A N -0.288 122.470 122.820 -0.103 0.000 2.448 301 A HA 0.626 4.946 4.320 0.000 0.000 0.239 301 A C 0.349 177.900 177.584 -0.056 0.000 1.080 301 A CA 0.678 52.678 52.037 -0.062 0.000 0.779 301 A CB 0.213 19.194 19.000 -0.032 0.000 1.026 301 A HN 0.669 nan 8.150 nan 0.000 0.499 302 N N -0.481 118.200 118.700 -0.032 0.000 2.448 302 N HA 0.379 5.119 4.740 0.000 0.000 0.279 302 N C -0.901 174.605 175.510 -0.007 0.000 1.025 302 N CA -0.579 52.460 53.050 -0.019 0.000 0.898 302 N CB 2.212 40.690 38.487 -0.015 0.000 1.303 302 N HN 0.518 nan 8.380 nan 0.000 0.495 303 V N 5.259 125.170 119.914 -0.006 0.000 2.400 303 V HA 0.221 4.341 4.120 0.000 0.000 0.263 303 V C 0.230 176.327 176.094 0.005 0.000 1.026 303 V CA -0.119 62.181 62.300 -0.000 0.000 1.077 303 V CB -1.252 30.569 31.823 -0.003 0.000 1.054 303 V HN 0.586 nan 8.190 nan 0.000 0.477 304 I N 3.895 124.471 120.570 0.011 0.000 3.210 304 I HA 0.594 4.764 4.170 0.000 0.000 0.316 304 I C 1.529 177.653 176.117 0.012 0.000 1.067 304 I CA -0.159 61.148 61.300 0.011 0.000 1.047 304 I CB 1.088 39.095 38.000 0.012 0.000 1.352 304 I HN 0.630 nan 8.210 nan 0.000 0.565 305 T N -0.106 114.455 114.554 0.011 0.000 2.456 305 T HA -0.124 4.226 4.350 0.000 0.000 0.235 305 T C 1.134 175.843 174.700 0.014 0.000 1.299 305 T CA 1.000 63.106 62.100 0.011 0.000 1.429 305 T CB -0.645 68.228 68.868 0.009 0.000 0.916 305 T HN 0.732 nan 8.240 nan 0.000 0.387 306 N N 0.535 119.243 118.700 0.013 0.000 2.294 306 N HA 0.011 4.751 4.740 0.000 0.000 0.275 306 N C 1.553 177.073 175.510 0.018 0.000 1.291 306 N CA -0.072 52.986 53.050 0.014 0.000 0.933 306 N CB 0.206 38.701 38.487 0.012 0.000 1.096 306 N HN 0.366 nan 8.380 nan 0.000 0.525 307 I N 1.614 122.195 120.570 0.018 0.000 2.053 307 I HA -0.331 3.839 4.170 0.000 0.000 0.236 307 I C 2.067 178.193 176.117 0.015 0.000 1.038 307 I CA 1.855 63.166 61.300 0.018 0.000 1.304 307 I CB -1.186 36.825 38.000 0.018 0.000 1.023 307 I HN 0.618 nan 8.210 nan 0.000 0.395 308 K N 0.954 121.362 120.400 0.014 0.000 2.013 308 K HA -0.333 3.987 4.320 0.000 0.000 0.225 308 K C 1.642 178.248 176.600 0.009 0.000 1.056 308 K CA 2.224 58.518 56.287 0.011 0.000 0.971 308 K CB -1.323 31.183 32.500 0.010 0.000 0.731 308 K HN 0.572 nan 8.250 nan 0.000 0.450 309 D N 1.277 121.682 120.400 0.009 0.000 3.834 309 D HA -0.344 4.296 4.640 0.000 0.000 0.470 309 D C 0.316 176.622 176.300 0.010 0.000 1.292 309 D CA 2.150 56.156 54.000 0.009 0.000 1.406 309 D CB -1.029 39.775 40.800 0.007 0.000 0.435 309 D HN 0.331 nan 8.370 nan 0.000 0.789 310 L N 0.603 121.834 121.223 0.012 0.000 3.604 310 L HA -0.112 4.228 4.340 0.000 0.000 0.441 310 L C 0.608 177.483 176.870 0.009 0.000 1.182 310 L CA 1.801 56.649 54.840 0.012 0.000 0.725 310 L CB -0.342 41.724 42.059 0.012 0.000 0.985 310 L HN 0.872 nan 8.230 nan 0.000 0.791 311 S N 1.124 116.829 115.700 0.009 0.000 2.645 311 S HA 0.495 4.965 4.470 0.000 0.000 0.268 311 S C 0.029 174.632 174.600 0.006 0.000 1.110 311 S CA -0.371 57.833 58.200 0.006 0.000 0.823 311 S CB 1.303 64.506 63.200 0.005 0.000 1.091 311 S HN 0.703 nan 8.310 nan 0.000 0.466 312 A N 0.888 123.710 122.820 0.004 0.000 1.897 312 A HA 0.111 4.431 4.320 0.000 0.000 0.215 312 A C 1.701 179.287 177.584 0.002 0.000 1.181 312 A CA 2.105 54.144 52.037 0.003 0.000 0.620 312 A CB -1.441 17.561 19.000 0.002 0.000 0.821 312 A HN 1.053 nan 8.150 nan 0.000 0.443 313 Q N 1.058 120.859 119.800 0.001 0.000 1.618 313 Q HA -0.290 4.050 4.340 0.000 0.000 0.777 313 Q C 0.640 176.638 176.000 -0.004 0.000 0.784 313 Q CA 1.680 57.483 55.803 -0.001 0.000 0.908 313 Q CB -1.514 27.224 28.738 -0.001 0.000 1.227 313 Q HN 0.540 nan 8.270 nan 0.000 0.634 314 D N -0.099 120.299 120.400 -0.003 0.000 4.026 314 D HA -0.182 4.458 4.640 0.000 0.000 0.201 314 D C 0.115 176.413 176.300 -0.004 0.000 1.291 314 D CA 1.030 55.028 54.000 -0.003 0.000 1.034 314 D CB -0.252 40.548 40.800 0.001 0.000 0.808 314 D HN 0.188 nan 8.370 nan 0.000 0.527 315 L N -1.372 119.849 121.223 -0.004 0.000 2.283 315 L HA 0.574 4.914 4.340 0.000 0.000 0.259 315 L C 1.090 177.957 176.870 -0.005 0.000 1.027 315 L CA -0.773 54.069 54.840 0.004 0.000 0.828 315 L CB 2.100 44.167 42.059 0.014 0.000 1.380 315 L HN -0.062 nan 8.230 nan 0.000 0.425 316 G N -0.578 108.225 108.800 0.005 0.000 2.857 316 G HA2 0.464 4.424 3.960 0.000 0.000 0.217 316 G HA3 0.464 4.424 3.960 0.000 0.000 0.217 316 G C -1.764 173.135 174.900 -0.002 0.000 1.357 316 G CA -0.031 45.062 45.100 -0.011 0.000 1.033 316 G HN 0.511 nan 8.290 nan 0.000 0.571 317 D N -1.283 119.115 120.400 -0.004 0.000 2.861 317 D HA 0.588 5.228 4.640 0.000 0.000 0.216 317 D C -0.894 175.416 176.300 0.016 0.000 1.323 317 D CA 0.074 54.079 54.000 0.008 0.000 0.917 317 D CB 1.663 42.465 40.800 0.004 0.000 1.582 317 D HN 0.644 nan 8.370 nan 0.000 0.576 318 A N 1.994 124.832 122.820 0.031 0.000 2.604 318 A HA 0.580 4.900 4.320 0.000 0.000 0.285 318 A C 1.148 178.759 177.584 0.046 0.000 1.095 318 A CA -0.122 51.939 52.037 0.040 0.000 0.842 318 A CB 0.870 19.904 19.000 0.056 0.000 1.385 318 A HN 0.527 nan 8.150 nan 0.000 0.404 319 G N 0.919 109.742 108.800 0.039 0.000 2.596 319 G HA2 0.022 3.982 3.960 0.000 0.000 0.223 319 G HA3 0.022 3.982 3.960 0.000 0.000 0.223 319 G C 0.407 175.329 174.900 0.038 0.000 1.120 319 G CA 1.619 46.740 45.100 0.035 0.000 0.752 319 G HN 0.794 nan 8.290 nan 0.000 0.596 320 L N -0.625 120.629 121.223 0.052 0.000 2.505 320 L HA 0.559 4.899 4.340 0.000 0.000 0.266 320 L C -1.084 175.838 176.870 0.087 0.000 0.954 320 L CA -0.726 54.147 54.840 0.055 0.000 0.852 320 L CB 2.643 44.730 42.059 0.047 0.000 1.282 320 L HN -0.147 nan 8.230 nan 0.000 0.403 321 V N 3.605 123.572 119.914 0.089 0.000 2.454 321 V HA 0.466 4.586 4.120 0.000 0.000 0.267 321 V C -0.403 175.753 176.094 0.104 0.000 0.993 321 V CA -0.562 61.815 62.300 0.127 0.000 0.836 321 V CB 1.510 33.414 31.823 0.136 0.000 1.055 321 V HN 0.756 nan 8.190 nan 0.000 0.452 322 E N 2.521 122.791 120.200 0.117 0.000 2.238 322 E HA 0.408 4.758 4.350 0.000 0.000 0.267 322 E C -0.513 176.169 176.600 0.136 0.000 0.887 322 E CA -0.663 55.783 56.400 0.076 0.000 0.769 322 E CB 1.829 31.536 29.700 0.011 0.000 1.187 322 E HN 0.627 nan 8.360 nan 0.000 0.416 323 E N 4.707 124.969 120.200 0.103 0.000 1.941 323 E HA 0.117 4.467 4.350 0.000 0.000 0.275 323 E C -0.880 175.779 176.600 0.098 0.000 1.113 323 E CA -0.187 56.285 56.400 0.121 0.000 0.878 323 E CB 0.398 30.144 29.700 0.077 0.000 1.070 323 E HN 0.348 nan 8.360 nan 0.000 0.399 324 R N 3.923 124.509 120.500 0.143 0.000 2.265 324 R HA 0.223 4.563 4.340 0.000 0.000 0.328 324 R C -0.339 176.029 176.300 0.114 0.000 0.969 324 R CA -0.587 55.550 56.100 0.062 0.000 0.832 324 R CB 1.245 31.485 30.300 -0.099 0.000 1.139 324 R HN 0.259 nan 8.270 nan 0.000 0.457 325 K N 2.589 123.025 120.400 0.060 0.000 2.401 325 K HA 0.202 4.522 4.320 0.000 0.000 0.278 325 K C -0.276 176.366 176.600 0.070 0.000 1.018 325 K CA 0.428 56.754 56.287 0.065 0.000 0.981 325 K CB 0.678 33.203 32.500 0.043 0.000 0.933 325 K HN 0.453 nan 8.250 nan 0.000 0.477 326 I N 3.041 123.663 120.570 0.087 0.000 2.531 326 I HA 0.003 4.173 4.170 0.000 0.000 0.283 326 I C -0.070 176.087 176.117 0.066 0.000 1.083 326 I CA 0.197 61.551 61.300 0.091 0.000 1.071 326 I CB 1.238 39.334 38.000 0.159 0.000 1.210 326 I HN 0.923 nan 8.210 nan 0.000 0.450 327 S N 4.541 120.270 115.700 0.048 0.000 2.929 327 S HA -0.165 4.305 4.470 0.000 0.000 0.271 327 S C 0.727 175.346 174.600 0.031 0.000 1.295 327 S CA 1.625 59.847 58.200 0.037 0.000 1.277 327 S CB -1.764 61.459 63.200 0.038 0.000 1.557 327 S HN 2.433 nan 8.310 nan 0.000 0.666 328 G N 0.418 109.238 108.800 0.034 0.000 2.467 328 G HA2 0.008 3.968 3.960 0.000 0.000 0.242 328 G HA3 0.008 3.968 3.960 0.000 0.000 0.242 328 G C -0.729 174.190 174.900 0.031 0.000 1.127 328 G CA 0.138 45.256 45.100 0.029 0.000 0.924 328 G HN 0.859 nan 8.290 nan 0.000 0.499 329 D N 0.927 121.351 120.400 0.040 0.000 2.479 329 D HA 0.340 4.980 4.640 0.000 0.000 0.246 329 D C 0.610 176.944 176.300 0.057 0.000 1.336 329 D CA 0.150 54.175 54.000 0.042 0.000 0.967 329 D CB 1.230 42.052 40.800 0.036 0.000 1.275 329 D HN 0.579 nan 8.370 nan 0.000 0.577 330 S N 2.235 117.968 115.700 0.055 0.000 3.225 330 S HA -0.002 4.468 4.470 0.000 0.000 0.378 330 S C 0.326 174.976 174.600 0.083 0.000 1.190 330 S CA 0.247 58.487 58.200 0.068 0.000 1.104 330 S CB -0.266 62.972 63.200 0.063 0.000 0.795 330 S HN 0.413 nan 8.310 nan 0.000 0.517 331 M N 2.821 122.496 119.600 0.124 0.000 2.593 331 M HA 0.587 5.067 4.480 0.000 0.000 0.290 331 M C -0.835 175.576 176.300 0.185 0.000 1.244 331 M CA -0.643 54.723 55.300 0.110 0.000 0.857 331 M CB 2.103 34.723 32.600 0.033 0.000 1.738 331 M HN 0.457 nan 8.290 nan 0.000 0.461 332 I N 1.305 121.945 120.570 0.117 0.000 2.406 332 I HA 0.478 4.648 4.170 0.000 0.000 0.290 332 I C -1.354 174.853 176.117 0.150 0.000 0.999 332 I CA -0.318 61.111 61.300 0.214 0.000 1.124 332 I CB 1.409 39.573 38.000 0.273 0.000 1.289 332 I HN 0.459 nan 8.210 nan 0.000 0.441 333 F N 5.576 125.577 119.950 0.084 0.000 2.432 333 F HA 0.648 5.175 4.527 0.000 0.000 0.329 333 F C -0.120 175.717 175.800 0.062 0.000 1.076 333 F CA -0.577 57.455 58.000 0.052 0.000 1.018 333 F CB 1.871 40.892 39.000 0.036 0.000 1.201 333 F HN -0.057 nan 8.300 nan 0.000 0.489 334 V N 2.382 122.398 119.914 0.171 0.000 2.757 334 V HA 0.226 4.346 4.120 0.000 0.000 0.262 334 V C -0.658 175.486 176.094 0.083 0.000 0.971 334 V CA -0.928 61.438 62.300 0.110 0.000 0.906 334 V CB 0.579 32.416 31.823 0.023 0.000 1.056 334 V HN 0.789 nan 8.190 nan 0.000 0.489 335 E N 1.505 121.776 120.200 0.117 0.000 2.405 335 E HA 0.706 5.056 4.350 0.000 0.000 0.249 335 E C -0.460 176.177 176.600 0.063 0.000 1.028 335 E CA -1.144 55.314 56.400 0.097 0.000 0.897 335 E CB 0.950 30.725 29.700 0.125 0.000 1.262 335 E HN 0.197 nan 8.360 nan 0.000 0.442 336 E N -0.519 119.713 120.200 0.052 0.000 2.024 336 E HA -0.183 4.167 4.350 0.000 0.000 0.163 336 E C -1.286 175.337 176.600 0.037 0.000 1.490 336 E CA 0.203 56.627 56.400 0.040 0.000 0.586 336 E CB -1.316 28.404 29.700 0.034 0.000 1.041 336 E HN 0.467 nan 8.360 nan 0.000 0.296 337 C N 2.421 121.742 119.300 0.036 0.000 2.388 337 C HA 0.214 4.674 4.460 0.000 0.000 0.362 337 C C 1.933 176.949 174.990 0.044 0.000 1.266 337 C CA -0.764 58.273 59.018 0.032 0.000 2.028 337 C CB 1.389 29.144 27.740 0.024 0.000 2.440 337 C HN 0.609 nan 8.230 nan 0.000 0.547 338 K N 2.033 122.462 120.400 0.048 0.000 2.116 338 K HA -0.117 4.203 4.320 0.000 0.000 0.203 338 K C 0.885 177.557 176.600 0.120 0.000 1.052 338 K CA 1.675 58.001 56.287 0.065 0.000 0.952 338 K CB -0.058 32.474 32.500 0.054 0.000 0.729 338 K HN 0.904 nan 8.250 nan 0.000 0.446 339 H N 0.998 120.069 119.070 0.003 0.000 2.535 339 H HA 0.380 4.936 4.556 0.000 0.000 0.232 339 H C -2.715 172.611 175.328 -0.003 0.000 1.405 339 H CA -2.447 53.601 56.048 0.000 0.000 1.224 339 H CB 0.264 30.026 29.762 0.000 0.000 1.763 339 H HN -0.024 nan 8.280 nan 0.000 0.529 340 P HA 0.164 nan 4.420 nan 0.000 0.251 340 P C 0.732 178.079 177.300 0.079 0.000 1.718 340 P CA -0.473 62.699 63.100 0.120 0.000 1.119 340 P CB 0.694 32.428 31.700 0.056 0.000 1.762 341 K N 1.955 122.404 120.400 0.081 0.000 2.412 341 K HA -0.114 4.206 4.320 0.000 0.000 0.202 341 K C 0.501 177.118 176.600 0.029 0.000 1.042 341 K CA 1.296 57.609 56.287 0.044 0.000 0.934 341 K CB -0.577 31.958 32.500 0.058 0.000 0.742 341 K HN 0.433 nan 8.250 nan 0.000 0.492 342 A N -0.144 122.693 122.820 0.029 0.000 2.594 342 A HA 0.531 4.851 4.320 0.000 0.000 0.296 342 A C -1.585 175.997 177.584 -0.002 0.000 1.056 342 A CA -0.381 51.661 52.037 0.008 0.000 0.693 342 A CB 2.377 21.378 19.000 0.001 0.000 1.278 342 A HN 0.295 nan 8.150 nan 0.000 0.408 343 V N 2.106 122.011 119.914 -0.014 0.000 2.716 343 V HA 0.560 4.680 4.120 0.000 0.000 0.284 343 V C -0.684 175.395 176.094 -0.025 0.000 1.129 343 V CA 0.153 62.445 62.300 -0.012 0.000 0.926 343 V CB 1.501 33.321 31.823 -0.004 0.000 1.051 343 V HN 1.199 nan 8.190 nan 0.000 0.458 344 T N 7.727 122.260 114.554 -0.036 0.000 2.909 344 T HA 0.493 4.843 4.350 0.000 0.000 0.289 344 T C -0.100 174.582 174.700 -0.029 0.000 1.005 344 T CA -0.159 61.913 62.100 -0.048 0.000 1.084 344 T CB 1.270 70.088 68.868 -0.082 0.000 0.975 344 T HN 0.751 nan 8.240 nan 0.000 0.509 345 M N 4.361 123.945 119.600 -0.027 0.000 2.006 345 M HA 0.398 4.878 4.480 0.000 0.000 0.314 345 M C -0.756 175.537 176.300 -0.011 0.000 0.926 345 M CA -0.643 54.651 55.300 -0.010 0.000 0.906 345 M CB 0.408 33.003 32.600 -0.007 0.000 1.422 345 M HN 0.547 nan 8.290 nan 0.000 0.397 346 L N 5.712 126.934 121.223 -0.002 0.000 2.578 346 L HA 0.070 4.410 4.340 0.000 0.000 0.279 346 L C -0.945 175.939 176.870 0.023 0.000 1.227 346 L CA 0.347 55.194 54.840 0.012 0.000 0.900 346 L CB 0.297 42.392 42.059 0.061 0.000 1.144 346 L HN 0.710 nan 8.230 nan 0.000 0.496 347 I N 3.191 123.773 120.570 0.019 0.000 2.437 347 I HA 0.456 4.626 4.170 0.000 0.000 0.279 347 I C -0.601 175.533 176.117 0.028 0.000 1.028 347 I CA -0.578 60.734 61.300 0.019 0.000 1.142 347 I CB 1.277 39.284 38.000 0.012 0.000 1.266 347 I HN 0.347 nan 8.210 nan 0.000 0.461 348 R N 4.309 124.829 120.500 0.032 0.000 2.532 348 R HA 0.923 5.263 4.340 0.000 0.000 0.295 348 R C 0.082 176.399 176.300 0.027 0.000 0.968 348 R CA -0.735 55.386 56.100 0.034 0.000 0.916 348 R CB 1.991 32.315 30.300 0.040 0.000 1.124 348 R HN 0.899 nan 8.270 nan 0.000 0.463 349 G N -0.043 108.774 108.800 0.028 0.000 2.899 349 G HA2 0.181 4.141 3.960 0.000 0.000 0.137 349 G HA3 0.181 4.141 3.960 0.000 0.000 0.137 349 G C 0.113 175.030 174.900 0.027 0.000 1.198 349 G CA 0.294 45.410 45.100 0.026 0.000 1.126 349 G HN 0.464 nan 8.290 nan 0.000 0.589 350 T N -2.857 111.714 114.554 0.030 0.000 3.221 350 T HA 0.404 4.754 4.350 0.000 0.000 0.250 350 T C 1.033 175.750 174.700 0.027 0.000 0.988 350 T CA 1.522 63.638 62.100 0.027 0.000 1.163 350 T CB 0.287 69.170 68.868 0.026 0.000 1.098 350 T HN 1.359 nan 8.240 nan 0.000 0.422 351 T N -0.710 113.866 114.554 0.036 0.000 2.883 351 T HA 0.520 4.870 4.350 0.000 0.000 0.296 351 T C 0.430 175.169 174.700 0.066 0.000 1.117 351 T CA -0.030 62.094 62.100 0.040 0.000 1.006 351 T CB 2.115 70.999 68.868 0.026 0.000 1.191 351 T HN 0.073 nan 8.240 nan 0.000 0.508 352 E N 0.251 120.489 120.200 0.063 0.000 2.628 352 E HA -0.348 4.002 4.350 0.000 0.000 0.255 352 E C 1.430 178.116 176.600 0.144 0.000 1.118 352 E CA 2.874 59.327 56.400 0.088 0.000 1.303 352 E CB -0.684 29.070 29.700 0.091 0.000 1.142 352 E HN 0.791 nan 8.360 nan 0.000 0.450 353 H N -1.628 117.445 119.070 0.006 0.000 2.372 353 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 353 H C 1.996 177.328 175.328 0.006 0.000 1.065 353 H CA 1.222 57.274 56.048 0.006 0.000 1.364 353 H CB 0.265 30.031 29.762 0.006 0.000 1.406 353 H HN 0.077 nan 8.280 nan 0.000 0.521 354 V N 2.567 122.550 119.914 0.116 0.000 2.759 354 V HA -0.218 3.902 4.120 0.000 0.000 0.256 354 V C 2.515 178.627 176.094 0.030 0.000 1.080 354 V CA 1.375 63.710 62.300 0.059 0.000 1.101 354 V CB -0.763 31.090 31.823 0.051 0.000 0.698 354 V HN 0.442 nan 8.190 nan 0.000 0.477 355 I N 0.856 121.444 120.570 0.030 0.000 2.086 355 I HA -0.212 3.958 4.170 0.000 0.000 0.233 355 I C 2.507 178.622 176.117 -0.004 0.000 1.060 355 I CA 2.117 63.427 61.300 0.016 0.000 1.326 355 I CB -1.113 36.899 38.000 0.021 0.000 1.067 355 I HN 0.359 nan 8.210 nan 0.000 0.398 356 E N 1.479 121.671 120.200 -0.014 0.000 2.253 356 E HA -0.346 4.004 4.350 0.000 0.000 0.202 356 E C 1.907 178.473 176.600 -0.056 0.000 1.014 356 E CA 2.009 58.384 56.400 -0.042 0.000 0.823 356 E CB -0.600 29.069 29.700 -0.053 0.000 0.736 356 E HN 0.806 nan 8.360 nan 0.000 0.478 357 E N 1.453 121.620 120.200 -0.054 0.000 2.076 357 E HA -0.109 4.241 4.350 0.000 0.000 0.190 357 E C 1.938 178.525 176.600 -0.023 0.000 0.979 357 E CA 1.177 57.549 56.400 -0.048 0.000 0.807 357 E CB 0.019 29.690 29.700 -0.048 0.000 0.761 357 E HN 0.191 nan 8.360 nan 0.000 0.454 358 V N 0.888 120.795 119.914 -0.011 0.000 3.141 358 V HA 0.011 4.131 4.120 0.000 0.000 0.265 358 V C 2.122 178.210 176.094 -0.011 0.000 1.126 358 V CA 1.230 63.526 62.300 -0.006 0.000 1.141 358 V CB -0.632 31.192 31.823 0.002 0.000 0.743 358 V HN 0.439 nan 8.190 nan 0.000 0.492 359 A N -0.206 122.603 122.820 -0.018 0.000 2.178 359 A HA 0.068 4.388 4.320 0.000 0.000 0.211 359 A C 2.391 179.960 177.584 -0.024 0.000 1.157 359 A CA 0.544 52.569 52.037 -0.021 0.000 0.780 359 A CB -0.181 18.805 19.000 -0.023 0.000 0.828 359 A HN 0.464 nan 8.150 nan 0.000 0.476 360 R N -1.101 119.383 120.500 -0.027 0.000 2.146 360 R HA 0.182 4.522 4.340 0.000 0.000 0.206 360 R C 2.021 178.310 176.300 -0.017 0.000 1.049 360 R CA 0.825 56.909 56.100 -0.026 0.000 1.029 360 R CB -0.078 30.202 30.300 -0.034 0.000 0.949 360 R HN 0.393 nan 8.270 nan 0.000 0.471 361 A N 0.647 123.458 122.820 -0.014 0.000 2.235 361 A HA -0.004 4.316 4.320 0.000 0.000 0.208 361 A C 1.751 179.332 177.584 -0.004 0.000 1.172 361 A CA 0.586 52.619 52.037 -0.007 0.000 0.786 361 A CB 0.059 19.058 19.000 -0.002 0.000 0.804 361 A HN 0.164 nan 8.150 nan 0.000 0.479 362 V N -1.368 118.541 119.914 -0.007 0.000 3.565 362 V HA 0.024 4.144 4.120 0.000 0.000 0.260 362 V C 1.397 177.486 176.094 -0.008 0.000 1.231 362 V CA 1.312 63.608 62.300 -0.007 0.000 1.100 362 V CB 0.055 31.874 31.823 -0.006 0.000 0.807 362 V HN 0.419 nan 8.190 nan 0.000 0.454 363 D N 0.332 120.726 120.400 -0.011 0.000 2.162 363 D HA -0.073 4.567 4.640 0.000 0.000 0.205 363 D C 1.668 177.963 176.300 -0.009 0.000 0.964 363 D CA 1.301 55.294 54.000 -0.011 0.000 0.847 363 D CB 0.005 40.797 40.800 -0.014 0.000 0.988 363 D HN 0.496 nan 8.370 nan 0.000 0.480 364 D N 0.604 120.999 120.400 -0.008 0.000 2.219 364 D HA -0.079 4.561 4.640 0.000 0.000 0.205 364 D C 1.812 178.110 176.300 -0.003 0.000 0.970 364 D CA 0.699 54.696 54.000 -0.005 0.000 0.851 364 D CB -0.023 40.774 40.800 -0.005 0.000 0.943 364 D HN 0.137 nan 8.370 nan 0.000 0.488 365 A N 0.803 123.622 122.820 -0.003 0.000 1.970 365 A HA -0.032 4.288 4.320 0.000 0.000 0.216 365 A C 2.388 179.971 177.584 -0.002 0.000 1.170 365 A CA 0.571 52.608 52.037 -0.001 0.000 0.645 365 A CB -0.366 18.634 19.000 0.001 0.000 0.816 365 A HN 0.151 nan 8.150 nan 0.000 0.447 366 V N -0.245 119.667 119.914 -0.004 0.000 2.970 366 V HA -0.051 4.069 4.120 0.000 0.000 0.260 366 V C 2.500 178.592 176.094 -0.004 0.000 1.100 366 V CA 1.429 63.727 62.300 -0.004 0.000 1.122 366 V CB -1.200 30.619 31.823 -0.006 0.000 0.721 366 V HN 0.541 nan 8.190 nan 0.000 0.483 367 G N 1.055 109.853 108.800 -0.004 0.000 2.417 367 G HA2 -0.119 3.841 3.960 0.000 0.000 0.212 367 G HA3 -0.119 3.841 3.960 0.000 0.000 0.212 367 G C 1.636 176.535 174.900 -0.002 0.000 1.187 367 G CA 1.232 46.330 45.100 -0.003 0.000 0.804 367 G HN 0.514 nan 8.290 nan 0.000 0.534 368 V N -0.513 119.401 119.914 -0.001 0.000 2.591 368 V HA -0.048 4.072 4.120 0.000 0.000 0.249 368 V C 2.640 178.734 176.094 0.001 0.000 1.053 368 V CA 1.192 63.492 62.300 0.001 0.000 1.068 368 V CB -0.698 31.126 31.823 0.002 0.000 0.689 368 V HN 0.182 nan 8.190 nan 0.000 0.462 369 V N 2.947 122.861 119.914 0.001 0.000 2.236 369 V HA -0.285 3.835 4.120 0.000 0.000 0.255 369 V C 2.544 178.637 176.094 -0.001 0.000 1.068 369 V CA 3.086 65.386 62.300 0.000 0.000 1.044 369 V CB -1.420 30.404 31.823 0.001 0.000 0.653 369 V HN 0.603 nan 8.190 nan 0.000 0.448 370 G N -2.176 106.623 108.800 -0.002 0.000 2.527 370 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 370 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 370 G C 1.404 176.303 174.900 -0.002 0.000 1.117 370 G CA 1.184 46.283 45.100 -0.002 0.000 0.759 370 G HN 0.702 nan 8.290 nan 0.000 0.556 371 C N -0.988 118.312 119.300 -0.001 0.000 2.558 371 C HA 0.182 4.642 4.460 0.000 0.000 0.288 371 C C 2.949 177.939 174.990 0.000 0.000 1.338 371 C CA 0.943 59.961 59.018 -0.000 0.000 1.760 371 C CB -0.267 27.474 27.740 0.001 0.000 2.159 371 C HN 0.485 nan 8.230 nan 0.000 0.518 372 T N -0.004 114.551 114.554 0.001 0.000 3.129 372 T HA 0.113 4.463 4.350 0.000 0.000 0.251 372 T C 1.482 176.182 174.700 0.000 0.000 1.117 372 T CA 0.726 62.827 62.100 0.001 0.000 1.034 372 T CB -0.378 68.492 68.868 0.003 0.000 0.968 372 T HN 0.257 nan 8.240 nan 0.000 0.526 373 I N 1.490 122.059 120.570 -0.001 0.000 2.235 373 I HA 0.047 4.217 4.170 0.000 0.000 0.241 373 I C 2.376 178.492 176.117 -0.002 0.000 1.085 373 I CA 1.249 62.547 61.300 -0.002 0.000 1.378 373 I CB -1.059 36.939 38.000 -0.003 0.000 1.076 373 I HN 0.477 nan 8.210 nan 0.000 0.415 374 E N 0.291 120.490 120.200 -0.002 0.000 2.051 374 E HA -0.046 4.304 4.350 0.000 0.000 0.189 374 E C 0.140 176.739 176.600 -0.002 0.000 0.979 374 E CA 0.591 56.990 56.400 -0.002 0.000 0.803 374 E CB 0.158 29.857 29.700 -0.002 0.000 0.761 374 E HN 0.369 nan 8.360 nan 0.000 0.451 375 D N -0.486 119.913 120.400 -0.001 0.000 2.278 375 D HA 0.201 4.841 4.640 0.000 0.000 0.245 375 D C -0.045 176.255 176.300 0.001 0.000 1.052 375 D CA -0.215 53.784 54.000 -0.000 0.000 0.834 375 D CB 1.829 42.629 40.800 0.000 0.000 1.194 375 D HN 0.141 nan 8.370 nan 0.000 0.481 376 G N 2.103 110.904 108.800 0.001 0.000 3.448 376 G HA2 0.048 4.008 3.960 0.000 0.000 0.261 376 G HA3 0.048 4.008 3.960 0.000 0.000 0.261 376 G C 0.720 175.622 174.900 0.003 0.000 1.173 376 G CA -0.128 44.973 45.100 0.001 0.000 0.835 376 G HN 0.156 nan 8.290 nan 0.000 0.534 377 R N 0.166 120.668 120.500 0.004 0.000 2.536 377 R HA 0.695 5.035 4.340 0.000 0.000 0.279 377 R C -0.087 176.217 176.300 0.008 0.000 1.001 377 R CA -0.670 55.434 56.100 0.006 0.000 1.027 377 R CB 1.044 31.347 30.300 0.006 0.000 1.096 377 R HN 0.270 nan 8.270 nan 0.000 0.502 378 I N -0.701 119.875 120.570 0.011 0.000 2.646 378 I HA 0.737 4.908 4.170 0.000 0.000 0.299 378 I C -1.219 174.909 176.117 0.020 0.000 1.036 378 I CA -1.105 60.204 61.300 0.014 0.000 1.074 378 I CB 2.273 40.281 38.000 0.013 0.000 1.258 378 I HN 0.303 nan 8.210 nan 0.000 0.430 379 V N 3.516 123.444 119.914 0.022 0.000 2.932 379 V HA 0.427 4.547 4.120 0.000 0.000 0.307 379 V C -0.159 175.955 176.094 0.034 0.000 1.147 379 V CA -0.278 62.041 62.300 0.031 0.000 0.951 379 V CB 2.712 34.552 31.823 0.027 0.000 1.031 379 V HN 0.973 nan 8.190 nan 0.000 0.426 380 S N 4.188 119.918 115.700 0.051 0.000 2.533 380 S HA 0.453 4.923 4.470 0.000 0.000 0.282 380 S C 0.682 175.306 174.600 0.041 0.000 1.304 380 S CA 0.225 58.456 58.200 0.052 0.000 1.063 380 S CB 1.248 64.503 63.200 0.091 0.000 0.881 380 S HN 1.184 nan 8.310 nan 0.000 0.493 381 G N 1.690 110.508 108.800 0.031 0.000 2.479 381 G HA2 0.430 4.390 3.960 0.000 0.000 0.275 381 G HA3 0.430 4.390 3.960 0.000 0.000 0.275 381 G C 0.447 175.366 174.900 0.032 0.000 1.421 381 G CA -0.479 44.636 45.100 0.024 0.000 1.059 381 G HN 0.894 nan 8.290 nan 0.000 0.535 382 G N -1.551 107.260 108.800 0.017 0.000 2.508 382 G HA2 0.536 4.496 3.960 0.000 0.000 0.301 382 G HA3 0.536 4.496 3.960 0.000 0.000 0.301 382 G C 0.932 175.838 174.900 0.010 0.000 0.965 382 G CA 0.759 45.861 45.100 0.003 0.000 1.339 382 G HN 1.895 nan 8.290 nan 0.000 0.455 383 G N 1.459 110.269 108.800 0.017 0.000 2.135 383 G HA2 -0.235 3.725 3.960 0.000 0.000 0.183 383 G HA3 -0.235 3.725 3.960 0.000 0.000 0.183 383 G C 1.215 176.140 174.900 0.042 0.000 1.004 383 G CA 0.364 45.474 45.100 0.016 0.000 0.677 383 G HN 0.673 nan 8.290 nan 0.000 0.512 384 S N -0.431 115.322 115.700 0.089 0.000 2.371 384 S HA -0.010 4.460 4.470 0.000 0.000 0.224 384 S C 2.323 176.830 174.600 -0.156 0.000 1.029 384 S CA 1.960 60.272 58.200 0.187 0.000 0.978 384 S CB -0.065 63.435 63.200 0.502 0.000 0.833 384 S HN 0.582 nan 8.310 nan 0.000 0.466 385 T N 2.144 116.662 114.554 -0.060 0.000 3.057 385 T HA 0.059 4.409 4.350 0.000 0.000 0.254 385 T C 1.540 176.185 174.700 -0.091 0.000 1.094 385 T CA 0.338 62.383 62.100 -0.090 0.000 1.088 385 T CB -0.024 68.832 68.868 -0.020 0.000 0.934 385 T HN 0.301 nan 8.240 nan 0.000 0.497 386 E N 2.216 122.377 120.200 -0.065 0.000 2.000 386 E HA -0.147 4.203 4.350 0.000 0.000 0.199 386 E C 2.700 179.263 176.600 -0.061 0.000 1.011 386 E CA 1.463 57.837 56.400 -0.044 0.000 0.836 386 E CB -1.618 28.065 29.700 -0.029 0.000 0.778 386 E HN 0.483 nan 8.360 nan 0.000 0.462 387 V N 0.595 120.457 119.914 -0.087 0.000 2.277 387 V HA -0.337 3.783 4.120 0.000 0.000 0.253 387 V C 2.367 178.376 176.094 -0.142 0.000 1.067 387 V CA 2.788 65.029 62.300 -0.097 0.000 1.047 387 V CB -0.859 30.927 31.823 -0.062 0.000 0.649 387 V HN 0.205 nan 8.190 nan 0.000 0.447 388 E N 0.463 120.495 120.200 -0.281 0.000 2.107 388 E HA -0.039 4.311 4.350 0.000 0.000 0.191 388 E C 2.013 178.544 176.600 -0.115 0.000 0.982 388 E CA 1.332 57.574 56.400 -0.264 0.000 0.809 388 E CB -0.387 29.030 29.700 -0.472 0.000 0.756 388 E HN 0.697 nan 8.360 nan 0.000 0.459 389 L N 0.163 121.332 121.223 -0.090 0.000 2.093 389 L HA -0.134 4.206 4.340 0.000 0.000 0.208 389 L C 2.572 179.440 176.870 -0.003 0.000 1.085 389 L CA 1.192 56.011 54.840 -0.034 0.000 0.755 389 L CB -0.565 41.490 42.059 -0.006 0.000 0.904 389 L HN 0.231 nan 8.230 nan 0.000 0.435 390 S N 1.252 116.949 115.700 -0.005 0.000 2.359 390 S HA -0.282 4.189 4.470 0.000 0.000 0.222 390 S C 1.994 176.610 174.600 0.026 0.000 1.038 390 S CA 2.095 60.307 58.200 0.020 0.000 1.051 390 S CB -0.250 62.953 63.200 0.005 0.000 0.944 390 S HN 0.523 nan 8.310 nan 0.000 0.433 391 M N -1.147 118.458 119.600 0.007 0.000 2.618 391 M HA 0.252 4.732 4.480 0.000 0.000 0.240 391 M C 1.593 177.910 176.300 0.029 0.000 1.123 391 M CA 0.984 56.296 55.300 0.020 0.000 1.060 391 M CB -0.140 32.469 32.600 0.017 0.000 1.535 391 M HN 0.140 nan 8.290 nan 0.000 0.507 392 K N 0.837 121.252 120.400 0.025 0.000 2.308 392 K HA 0.230 4.550 4.320 0.000 0.000 0.197 392 K C 1.482 178.126 176.600 0.074 0.000 1.049 392 K CA 0.538 56.845 56.287 0.034 0.000 0.991 392 K CB 0.341 32.843 32.500 0.004 0.000 0.836 392 K HN 0.355 nan 8.250 nan 0.000 0.500 393 L N 0.123 121.390 121.223 0.073 0.000 2.585 393 L HA 0.131 4.471 4.340 0.000 0.000 0.226 393 L C 2.165 179.136 176.870 0.168 0.000 1.113 393 L CA 0.168 55.087 54.840 0.132 0.000 0.876 393 L CB 0.058 42.163 42.059 0.076 0.000 1.072 393 L HN 0.016 nan 8.230 nan 0.000 0.468 394 R N 0.255 120.818 120.500 0.104 0.000 2.052 394 R HA -0.076 4.264 4.340 0.000 0.000 0.226 394 R C 2.061 178.394 176.300 0.056 0.000 1.145 394 R CA 1.090 57.233 56.100 0.072 0.000 0.952 394 R CB 0.066 30.397 30.300 0.051 0.000 0.847 394 R HN 0.240 nan 8.270 nan 0.000 0.431 395 E N -0.194 120.043 120.200 0.062 0.000 2.171 395 E HA -0.269 4.081 4.350 0.000 0.000 0.197 395 E C 1.672 178.309 176.600 0.062 0.000 0.997 395 E CA 1.259 57.690 56.400 0.052 0.000 0.810 395 E CB -0.263 29.466 29.700 0.049 0.000 0.738 395 E HN 0.466 nan 8.360 nan 0.000 0.467 396 Y N 1.149 121.444 120.300 -0.010 0.000 2.516 396 Y HA 0.065 4.615 4.550 -0.000 0.000 0.291 396 Y C 2.091 177.978 175.900 -0.022 0.000 1.131 396 Y CA 0.548 58.638 58.100 -0.018 0.000 1.281 396 Y CB -0.153 38.293 38.460 -0.024 0.000 1.013 396 Y HN -0.025 nan 8.280 nan 0.000 0.554 397 A N 0.739 123.438 122.820 -0.201 0.000 1.832 397 A HA -0.177 4.143 4.320 0.000 0.000 0.214 397 A C 2.066 179.516 177.584 -0.224 0.000 1.200 397 A CA 1.742 53.638 52.037 -0.236 0.000 0.610 397 A CB -0.819 18.139 19.000 -0.070 0.000 0.842 397 A HN 0.562 nan 8.150 nan 0.000 0.444 398 E N -0.340 119.781 120.200 -0.132 0.000 2.136 398 E HA -0.231 4.119 4.350 0.000 0.000 0.202 398 E C 1.999 178.524 176.600 -0.125 0.000 1.019 398 E CA 0.904 57.245 56.400 -0.097 0.000 0.819 398 E CB -0.597 29.073 29.700 -0.050 0.000 0.739 398 E HN 0.619 nan 8.360 nan 0.000 0.458 399 G N 2.537 111.234 108.800 -0.171 0.000 2.838 399 G HA2 -0.353 3.607 3.960 0.000 0.000 0.215 399 G HA3 -0.353 3.607 3.960 0.000 0.000 0.215 399 G C 1.591 176.349 174.900 -0.237 0.000 1.327 399 G CA 1.884 46.858 45.100 -0.211 0.000 0.802 399 G HN 0.390 nan 8.290 nan 0.000 0.658 400 I N -1.036 119.306 120.570 -0.380 0.000 2.109 400 I HA -0.171 3.999 4.170 0.000 0.000 0.233 400 I C 1.359 177.379 176.117 -0.162 0.000 1.005 400 I CA 1.895 63.017 61.300 -0.296 0.000 1.294 400 I CB -1.280 36.510 38.000 -0.351 0.000 1.005 400 I HN 0.899 nan 8.210 nan 0.000 0.392 401 S N 0.281 115.897 115.700 -0.139 0.000 2.818 401 S HA 0.277 4.747 4.470 0.000 0.000 0.848 401 S C -0.193 174.362 174.600 -0.075 0.000 0.793 401 S CA 0.352 58.499 58.200 -0.089 0.000 1.537 401 S CB -1.283 61.875 63.200 -0.071 0.000 1.099 401 S HN 2.493 nan 8.310 nan 0.000 0.425 402 G N 6.328 115.091 108.800 -0.062 0.000 2.545 402 G HA2 -0.083 3.877 3.960 0.000 0.000 0.211 402 G HA3 -0.083 3.877 3.960 0.000 0.000 0.211 402 G C 0.486 175.356 174.900 -0.050 0.000 1.167 402 G CA 0.725 45.796 45.100 -0.048 0.000 1.151 402 G HN 1.864 nan 8.290 nan 0.000 0.581 403 R N 1.136 121.609 120.500 -0.045 0.000 2.171 403 R HA -0.209 4.131 4.340 0.000 0.000 0.232 403 R C 1.895 178.145 176.300 -0.084 0.000 1.116 403 R CA 2.885 58.956 56.100 -0.049 0.000 0.901 403 R CB -1.696 28.588 30.300 -0.027 0.000 0.850 403 R HN 0.623 nan 8.270 nan 0.000 0.431 404 E N 1.515 121.653 120.200 -0.103 0.000 2.396 404 E HA -0.284 4.066 4.350 0.000 0.000 0.209 404 E C 1.917 178.432 176.600 -0.142 0.000 1.056 404 E CA 1.929 58.246 56.400 -0.138 0.000 0.851 404 E CB -0.514 29.113 29.700 -0.122 0.000 0.754 404 E HN 0.737 nan 8.360 nan 0.000 0.504 405 Q N 0.649 120.382 119.800 -0.112 0.000 1.813 405 Q HA -0.142 4.198 4.340 0.000 0.000 0.261 405 Q C 1.936 177.892 176.000 -0.073 0.000 0.975 405 Q CA 1.337 57.081 55.803 -0.098 0.000 0.881 405 Q CB -0.198 28.495 28.738 -0.075 0.000 0.924 405 Q HN 0.308 nan 8.270 nan 0.000 0.425 406 L N 0.243 121.438 121.223 -0.046 0.000 2.336 406 L HA -0.400 3.940 4.340 0.000 0.000 0.235 406 L C 2.510 179.364 176.870 -0.027 0.000 1.136 406 L CA 2.316 57.144 54.840 -0.020 0.000 0.857 406 L CB -1.805 40.243 42.059 -0.019 0.000 0.952 406 L HN 0.578 nan 8.230 nan 0.000 0.449 407 A N -0.085 122.628 122.820 -0.178 0.000 1.873 407 A HA -0.066 4.254 4.320 0.000 0.000 0.215 407 A C 2.199 179.690 177.584 -0.155 0.000 1.186 407 A CA 2.183 53.906 52.037 -0.524 0.000 0.616 407 A CB -0.761 17.605 19.000 -1.056 0.000 0.823 407 A HN 0.456 nan 8.150 nan 0.000 0.442 408 V N -0.716 119.146 119.914 -0.088 0.000 3.041 408 V HA -0.110 4.010 4.120 0.000 0.000 0.260 408 V C 2.145 178.329 176.094 0.150 0.000 1.105 408 V CA 1.534 63.877 62.300 0.071 0.000 1.125 408 V CB -1.091 30.770 31.823 0.063 0.000 0.730 408 V HN 0.719 nan 8.190 nan 0.000 0.479 409 R N 1.698 122.265 120.500 0.113 0.000 2.119 409 R HA 0.263 4.603 4.340 0.000 0.000 0.222 409 R C 2.077 178.472 176.300 0.158 0.000 1.088 409 R CA 1.309 57.477 56.100 0.113 0.000 0.984 409 R CB -0.679 29.659 30.300 0.063 0.000 0.884 409 R HN 0.445 nan 8.270 nan 0.000 0.447 410 A N 0.327 123.279 122.820 0.221 0.000 2.169 410 A HA 0.023 4.343 4.320 0.000 0.000 0.212 410 A C 1.469 179.227 177.584 0.290 0.000 1.153 410 A CA 0.267 52.446 52.037 0.236 0.000 0.756 410 A CB -0.333 18.831 19.000 0.272 0.000 0.813 410 A HN 0.442 nan 8.150 nan 0.000 0.471 411 F N -0.250 119.841 119.950 0.235 0.000 2.714 411 F HA 0.443 4.970 4.527 0.000 0.000 0.294 411 F C 2.021 177.876 175.800 0.091 0.000 1.120 411 F CA -0.001 58.099 58.000 0.166 0.000 1.398 411 F CB -0.135 39.043 39.000 0.298 0.000 1.120 411 F HN 0.195 nan 8.300 nan 0.000 0.589 412 A N -0.518 122.485 122.820 0.307 0.000 1.911 412 A HA -0.038 4.282 4.320 0.000 0.000 0.212 412 A C 2.118 179.766 177.584 0.107 0.000 1.189 412 A CA 1.088 53.238 52.037 0.188 0.000 0.639 412 A CB -0.848 18.239 19.000 0.145 0.000 0.839 412 A HN 0.291 nan 8.150 nan 0.000 0.449 413 D N 0.536 120.988 120.400 0.087 0.000 2.160 413 D HA -0.261 4.379 4.640 0.000 0.000 0.189 413 D C 2.209 178.517 176.300 0.015 0.000 1.003 413 D CA 1.941 55.970 54.000 0.048 0.000 0.846 413 D CB -0.171 40.656 40.800 0.045 0.000 0.949 413 D HN 0.334 nan 8.370 nan 0.000 0.446 414 A N 0.729 123.543 122.820 -0.010 0.000 1.969 414 A HA -0.247 4.073 4.320 0.000 0.000 0.223 414 A C 2.108 179.647 177.584 -0.075 0.000 1.218 414 A CA 1.565 53.546 52.037 -0.092 0.000 0.667 414 A CB -0.803 18.111 19.000 -0.144 0.000 0.826 414 A HN 0.317 nan 8.150 nan 0.000 0.472 415 L N -0.691 120.520 121.223 -0.020 0.000 2.552 415 L HA 0.050 4.390 4.340 0.000 0.000 0.227 415 L C 2.094 178.959 176.870 -0.009 0.000 1.146 415 L CA 1.329 56.168 54.840 -0.002 0.000 0.858 415 L CB -0.612 41.481 42.059 0.055 0.000 0.969 415 L HN 0.489 nan 8.230 nan 0.000 0.451 416 E N -1.482 118.712 120.200 -0.010 0.000 2.276 416 E HA -0.055 4.295 4.350 0.000 0.000 0.193 416 E C 2.123 178.711 176.600 -0.020 0.000 0.983 416 E CA 0.352 56.746 56.400 -0.011 0.000 0.861 416 E CB 0.372 30.070 29.700 -0.003 0.000 0.817 416 E HN 0.246 nan 8.360 nan 0.000 0.485 417 V N 1.175 121.072 119.914 -0.029 0.000 2.594 417 V HA -0.224 3.896 4.120 0.000 0.000 0.253 417 V C 1.834 177.907 176.094 -0.034 0.000 1.069 417 V CA 1.198 63.478 62.300 -0.033 0.000 1.082 417 V CB -0.188 31.611 31.823 -0.040 0.000 0.680 417 V HN 0.134 nan 8.190 nan 0.000 0.469 418 I N 0.689 121.238 120.570 -0.036 0.000 2.163 418 I HA -0.024 4.146 4.170 0.000 0.000 0.240 418 I C -0.210 175.889 176.117 -0.030 0.000 1.081 418 I CA 1.177 62.457 61.300 -0.034 0.000 1.353 418 I CB -2.339 35.641 38.000 -0.033 0.000 1.054 418 I HN 0.309 nan 8.210 nan 0.000 0.407 419 P HA -0.032 nan 4.420 nan 0.000 0.242 419 P C 1.634 178.921 177.300 -0.021 0.000 1.197 419 P CA 0.920 64.007 63.100 -0.022 0.000 0.765 419 P CB 0.062 31.754 31.700 -0.014 0.000 0.936 420 R N -0.249 120.238 120.500 -0.022 0.000 2.052 420 R HA -0.071 4.269 4.340 0.000 0.000 0.224 420 R C 2.191 178.476 176.300 -0.025 0.000 1.149 420 R CA 2.137 58.225 56.100 -0.020 0.000 0.962 420 R CB -0.954 29.335 30.300 -0.018 0.000 0.856 420 R HN 0.148 nan 8.270 nan 0.000 0.433 421 T N 0.536 115.073 114.554 -0.027 0.000 2.555 421 T HA -0.193 4.157 4.350 0.000 0.000 0.264 421 T C 1.541 176.220 174.700 -0.035 0.000 1.083 421 T CA 1.638 63.721 62.100 -0.029 0.000 1.179 421 T CB -0.502 68.348 68.868 -0.030 0.000 0.863 421 T HN 0.183 nan 8.240 nan 0.000 0.412 422 L N 1.804 123.003 121.223 -0.040 0.000 3.417 422 L HA -0.367 3.973 4.340 0.000 0.000 0.071 422 L C 2.530 179.364 176.870 -0.060 0.000 4.414 422 L CA 2.447 57.257 54.840 -0.050 0.000 0.544 422 L CB -2.490 39.537 42.059 -0.054 0.000 3.529 422 L HN 0.606 nan 8.230 nan 0.000 0.628 423 A N -1.679 121.113 122.820 -0.046 0.000 2.030 423 A HA -0.004 4.316 4.320 0.000 0.000 0.215 423 A C 2.129 179.694 177.584 -0.032 0.000 1.164 423 A CA 1.039 53.052 52.037 -0.041 0.000 0.697 423 A CB -0.308 18.674 19.000 -0.029 0.000 0.827 423 A HN 0.608 nan 8.150 nan 0.000 0.457 424 E N 0.515 120.698 120.200 -0.028 0.000 2.070 424 E HA -0.214 4.136 4.350 0.000 0.000 0.197 424 E C 1.636 178.222 176.600 -0.024 0.000 1.004 424 E CA 1.448 57.835 56.400 -0.022 0.000 0.805 424 E CB -0.095 29.593 29.700 -0.021 0.000 0.744 424 E HN 0.584 nan 8.360 nan 0.000 0.451 425 N N 0.543 119.224 118.700 -0.031 0.000 2.084 425 N HA -0.165 4.575 4.740 0.000 0.000 0.190 425 N C 1.531 177.022 175.510 -0.031 0.000 1.030 425 N CA 0.948 53.979 53.050 -0.032 0.000 0.849 425 N CB -0.470 37.993 38.487 -0.040 0.000 1.012 425 N HN 0.129 nan 8.380 nan 0.000 0.423 426 A N 0.539 123.334 122.820 -0.042 0.000 3.102 426 A HA 0.113 4.433 4.320 0.000 0.000 0.189 426 A C 1.053 178.627 177.584 -0.017 0.000 0.842 426 A CA 1.956 53.973 52.037 -0.034 0.000 1.137 426 A CB -1.102 17.872 19.000 -0.044 0.000 0.746 426 A HN 0.470 nan 8.150 nan 0.000 0.537 427 G N -3.292 105.499 108.800 -0.014 0.000 3.100 427 G HA2 0.529 4.489 3.960 0.000 0.000 0.233 427 G HA3 0.529 4.489 3.960 0.000 0.000 0.233 427 G C -0.962 173.935 174.900 -0.006 0.000 3.794 427 G CA -0.159 44.935 45.100 -0.009 0.000 0.453 427 G HN 1.163 nan 8.290 nan 0.000 0.329 428 L N 1.188 122.406 121.223 -0.008 0.000 2.310 428 L HA 0.209 4.549 4.340 0.000 0.000 0.266 428 L C -0.538 176.326 176.870 -0.009 0.000 1.432 428 L CA -0.685 54.148 54.840 -0.012 0.000 0.696 428 L CB 1.000 43.052 42.059 -0.012 0.000 0.898 428 L HN 0.414 nan 8.230 nan 0.000 0.534 429 D N 1.231 121.628 120.400 -0.005 0.000 2.434 429 D HA 0.325 4.965 4.640 0.000 0.000 0.252 429 D C 0.993 177.290 176.300 -0.004 0.000 1.185 429 D CA 0.833 54.831 54.000 -0.004 0.000 0.886 429 D CB 1.861 42.660 40.800 -0.001 0.000 1.148 429 D HN 0.497 nan 8.370 nan 0.000 0.483 430 A N 5.082 127.899 122.820 -0.005 0.000 1.984 430 A HA -0.047 4.273 4.320 0.000 0.000 0.214 430 A C 2.277 179.860 177.584 -0.001 0.000 1.173 430 A CA 0.229 52.263 52.037 -0.005 0.000 0.673 430 A CB -0.451 18.544 19.000 -0.009 0.000 0.830 430 A HN 0.806 nan 8.150 nan 0.000 0.453 431 I N 1.001 121.571 120.570 -0.000 0.000 2.203 431 I HA -0.467 3.703 4.170 0.000 0.000 0.237 431 I C 2.302 178.422 176.117 0.005 0.000 0.993 431 I CA 3.047 64.348 61.300 0.003 0.000 1.277 431 I CB -0.571 37.431 38.000 0.003 0.000 0.984 431 I HN 0.686 nan 8.210 nan 0.000 0.402 432 E N 1.860 122.063 120.200 0.005 0.000 2.023 432 E HA -0.283 4.067 4.350 0.000 0.000 0.196 432 E C 2.241 178.846 176.600 0.009 0.000 1.003 432 E CA 2.404 58.808 56.400 0.007 0.000 0.809 432 E CB -0.994 28.710 29.700 0.007 0.000 0.755 432 E HN 0.780 nan 8.360 nan 0.000 0.449 433 I N 0.767 121.342 120.570 0.007 0.000 2.208 433 I HA -0.253 3.917 4.170 0.000 0.000 0.245 433 I C 2.608 178.734 176.117 0.014 0.000 1.097 433 I CA 1.199 62.504 61.300 0.010 0.000 1.363 433 I CB -0.565 37.439 38.000 0.008 0.000 1.051 433 I HN 0.094 nan 8.210 nan 0.000 0.413 434 L N 0.566 121.796 121.223 0.011 0.000 2.191 434 L HA -0.105 4.235 4.340 0.000 0.000 0.212 434 L C 2.664 179.545 176.870 0.019 0.000 1.103 434 L CA 1.281 56.129 54.840 0.013 0.000 0.769 434 L CB -0.865 41.199 42.059 0.008 0.000 0.908 434 L HN 0.251 nan 8.230 nan 0.000 0.438 435 V N -0.244 119.680 119.914 0.017 0.000 2.453 435 V HA -0.210 3.910 4.120 0.000 0.000 0.247 435 V C 2.556 178.664 176.094 0.023 0.000 1.048 435 V CA 1.272 63.583 62.300 0.018 0.000 1.049 435 V CB -0.377 31.455 31.823 0.014 0.000 0.672 435 V HN 0.414 nan 8.190 nan 0.000 0.457 436 K N -0.143 120.271 120.400 0.023 0.000 2.002 436 K HA -0.128 4.192 4.320 0.000 0.000 0.209 436 K C 2.029 178.650 176.600 0.035 0.000 1.048 436 K CA 1.635 57.937 56.287 0.024 0.000 0.930 436 K CB -0.353 32.159 32.500 0.020 0.000 0.714 436 K HN 0.375 nan 8.250 nan 0.000 0.438 437 V N 0.844 120.785 119.914 0.046 0.000 2.575 437 V HA -0.060 4.060 4.120 0.000 0.000 0.242 437 V C 2.243 178.402 176.094 0.108 0.000 1.045 437 V CA 0.825 63.169 62.300 0.074 0.000 1.065 437 V CB -0.373 31.492 31.823 0.071 0.000 0.717 437 V HN 0.235 nan 8.190 nan 0.000 0.467 438 R N 0.721 121.263 120.500 0.071 0.000 2.112 438 R HA -0.230 4.110 4.340 0.000 0.000 0.242 438 R C 2.401 178.746 176.300 0.075 0.000 1.137 438 R CA 1.904 58.043 56.100 0.064 0.000 0.944 438 R CB -0.683 29.639 30.300 0.036 0.000 0.857 438 R HN 0.524 nan 8.270 nan 0.000 0.435 439 A N 0.660 123.513 122.820 0.055 0.000 1.969 439 A HA -0.054 4.266 4.320 0.000 0.000 0.218 439 A C 2.273 179.886 177.584 0.048 0.000 1.169 439 A CA 1.578 53.642 52.037 0.045 0.000 0.635 439 A CB -0.395 18.624 19.000 0.031 0.000 0.810 439 A HN 0.444 nan 8.150 nan 0.000 0.445 440 A N -1.419 121.432 122.820 0.051 0.000 1.929 440 A HA -0.074 4.246 4.320 0.000 0.000 0.216 440 A C 1.965 179.568 177.584 0.033 0.000 1.176 440 A CA 1.669 53.724 52.037 0.029 0.000 0.628 440 A CB -0.732 18.275 19.000 0.011 0.000 0.816 440 A HN 0.711 nan 8.150 nan 0.000 0.444 441 H N -0.602 118.474 119.070 0.009 0.000 2.326 441 H HA 0.098 4.654 4.556 0.000 0.000 0.301 441 H C 2.226 177.559 175.328 0.009 0.000 1.081 441 H CA 1.165 57.218 56.048 0.009 0.000 1.334 441 H CB -0.016 29.752 29.762 0.010 0.000 1.385 441 H HN 0.459 nan 8.280 nan 0.000 0.504 442 A N -0.701 122.217 122.820 0.163 0.000 2.285 442 A HA -0.135 4.185 4.320 0.000 0.000 0.214 442 A C 1.816 179.437 177.584 0.063 0.000 1.188 442 A CA 1.865 53.959 52.037 0.094 0.000 0.707 442 A CB -0.157 18.882 19.000 0.064 0.000 0.771 442 A HN 0.452 nan 8.150 nan 0.000 0.488 443 S N -1.865 113.863 115.700 0.047 0.000 2.882 443 S HA 0.036 4.506 4.470 0.000 0.000 0.258 443 S C 1.326 175.928 174.600 0.004 0.000 1.081 443 S CA 0.333 58.547 58.200 0.023 0.000 0.886 443 S CB -0.102 63.109 63.200 0.018 0.000 0.855 443 S HN 0.696 nan 8.310 nan 0.000 0.467 444 N N 1.337 120.026 118.700 -0.017 0.000 2.244 444 N HA 0.499 5.239 4.740 0.000 0.000 0.189 444 N C 0.899 176.379 175.510 -0.050 0.000 1.047 444 N CA 0.772 53.793 53.050 -0.048 0.000 0.870 444 N CB 0.095 38.538 38.487 -0.074 0.000 1.041 444 N HN 0.471 nan 8.380 nan 0.000 0.448 445 G N -0.565 108.180 108.800 -0.092 0.000 2.350 445 G HA2 -0.091 3.869 3.960 0.000 0.000 0.276 445 G HA3 -0.091 3.869 3.960 0.000 0.000 0.276 445 G C -0.741 174.115 174.900 -0.073 0.000 1.313 445 G CA -0.113 44.974 45.100 -0.020 0.000 0.903 445 G HN 0.279 nan 8.290 nan 0.000 0.490 446 N N 0.550 119.301 118.700 0.084 0.000 2.104 446 N HA -0.149 4.591 4.740 0.000 0.000 0.190 446 N C 1.817 177.380 175.510 0.090 0.000 1.024 446 N CA 2.209 55.376 53.050 0.195 0.000 0.853 446 N CB -0.273 38.267 38.487 0.088 0.000 1.008 446 N HN 0.767 nan 8.380 nan 0.000 0.424 447 K N -0.161 120.222 120.400 -0.028 0.000 2.211 447 K HA 0.129 4.449 4.320 0.000 0.000 0.201 447 K C 0.441 176.995 176.600 -0.077 0.000 1.052 447 K CA 0.803 57.074 56.287 -0.027 0.000 0.973 447 K CB 0.064 32.553 32.500 -0.019 0.000 0.766 447 K HN 0.366 nan 8.250 nan 0.000 0.466 448 C N 1.319 120.513 119.300 -0.176 0.000 3.273 448 C HA 0.832 5.292 4.460 0.000 0.000 0.227 448 C C -0.346 174.459 174.990 -0.308 0.000 1.409 448 C CA -0.614 58.297 59.018 -0.179 0.000 1.516 448 C CB -0.474 27.208 27.740 -0.098 0.000 1.853 448 C HN 0.392 nan 8.230 nan 0.000 0.472 449 A N 1.940 124.534 122.820 -0.377 0.000 2.768 449 A HA 0.757 5.077 4.320 0.000 0.000 0.299 449 A C 0.283 177.932 177.584 0.109 0.000 1.171 449 A CA 0.391 52.314 52.037 -0.189 0.000 0.759 449 A CB 0.036 18.917 19.000 -0.198 0.000 1.267 449 A HN 1.240 nan 8.150 nan 0.000 0.421 450 G N -0.085 108.744 108.800 0.049 0.000 2.583 450 G HA2 0.602 4.562 3.960 0.000 0.000 0.280 450 G HA3 0.602 4.562 3.960 0.000 0.000 0.280 450 G C -0.348 174.580 174.900 0.046 0.000 1.376 450 G CA -0.626 44.507 45.100 0.055 0.000 1.043 450 G HN 0.851 nan 8.290 nan 0.000 0.538 451 L N -0.119 121.117 121.223 0.023 0.000 2.745 451 L HA 0.287 4.627 4.340 0.000 0.000 0.296 451 L C -0.265 176.586 176.870 -0.031 0.000 1.362 451 L CA -0.542 54.297 54.840 -0.002 0.000 0.724 451 L CB 0.568 42.625 42.059 -0.003 0.000 1.069 451 L HN 0.414 nan 8.230 nan 0.000 0.535 452 N N 0.283 118.975 118.700 -0.013 0.000 2.411 452 N HA 0.219 4.959 4.740 0.000 0.000 0.259 452 N C 1.408 176.871 175.510 -0.079 0.000 1.103 452 N CA -0.215 52.823 53.050 -0.019 0.000 0.954 452 N CB 1.435 39.968 38.487 0.077 0.000 1.085 452 N HN 0.209 nan 8.380 nan 0.000 0.485 453 V N 2.178 121.928 119.914 -0.272 0.000 2.453 453 V HA -0.181 3.939 4.120 0.000 0.000 0.252 453 V C 1.332 177.306 176.094 -0.201 0.000 1.068 453 V CA 1.415 63.505 62.300 -0.349 0.000 1.070 453 V CB -1.131 30.246 31.823 -0.743 0.000 0.664 453 V HN 0.462 nan 8.190 nan 0.000 0.461 454 F N 1.251 121.204 119.950 0.006 0.000 2.085 454 F HA 0.114 4.641 4.527 0.000 0.000 0.284 454 F C 2.804 178.607 175.800 0.004 0.000 1.127 454 F CA 1.529 59.532 58.000 0.005 0.000 1.164 454 F CB -1.570 37.433 39.000 0.004 0.000 1.035 454 F HN -0.015 nan 8.300 nan 0.000 0.481 455 T N -0.335 114.375 114.554 0.260 0.000 2.564 455 T HA -0.120 4.230 4.350 0.000 0.000 0.264 455 T C 1.171 175.918 174.700 0.078 0.000 1.100 455 T CA 2.121 64.295 62.100 0.123 0.000 1.171 455 T CB -1.274 67.649 68.868 0.092 0.000 0.863 455 T HN 0.667 nan 8.240 nan 0.000 0.430 456 G N 1.115 109.948 108.800 0.056 0.000 2.799 456 G HA2 0.380 4.340 3.960 0.000 0.000 0.271 456 G HA3 0.380 4.340 3.960 0.000 0.000 0.271 456 G C -0.184 174.732 174.900 0.026 0.000 1.067 456 G CA -0.308 44.808 45.100 0.027 0.000 1.251 456 G HN 1.387 nan 8.290 nan 0.000 0.560 457 A N -0.302 122.531 122.820 0.022 0.000 2.555 457 A HA 0.777 5.097 4.320 0.000 0.000 0.299 457 A C -0.136 177.461 177.584 0.022 0.000 0.962 457 A CA 0.163 52.214 52.037 0.022 0.000 0.646 457 A CB 0.475 19.492 19.000 0.027 0.000 1.327 457 A HN 2.021 nan 8.150 nan 0.000 0.428 458 V N 0.709 120.636 119.914 0.021 0.000 2.740 458 V HA 0.549 4.669 4.120 0.000 0.000 0.303 458 V C 0.201 176.305 176.094 0.015 0.000 1.054 458 V CA 1.012 63.324 62.300 0.021 0.000 1.106 458 V CB 1.272 33.109 31.823 0.024 0.000 0.957 458 V HN 1.167 nan 8.190 nan 0.000 0.486 459 E N 3.971 124.179 120.200 0.013 0.000 2.314 459 E HA 0.294 4.644 4.350 0.000 0.000 0.272 459 E C -1.035 175.562 176.600 -0.005 0.000 0.884 459 E CA -0.660 55.749 56.400 0.014 0.000 0.753 459 E CB 1.618 31.336 29.700 0.031 0.000 1.213 459 E HN 0.665 nan 8.360 nan 0.000 0.432 460 D N 5.362 125.756 120.400 -0.010 0.000 2.367 460 D HA 0.010 4.650 4.640 0.000 0.000 0.255 460 D C 0.878 177.180 176.300 0.002 0.000 1.300 460 D CA -0.034 53.954 54.000 -0.019 0.000 0.959 460 D CB 0.401 41.191 40.800 -0.016 0.000 1.064 460 D HN 0.468 nan 8.370 nan 0.000 0.509 461 M N 2.251 121.854 119.600 0.006 0.000 2.108 461 M HA -0.222 4.258 4.480 0.000 0.000 0.257 461 M C 2.166 178.476 176.300 0.017 0.000 1.071 461 M CA 0.971 56.284 55.300 0.021 0.000 1.093 461 M CB -1.145 31.473 32.600 0.030 0.000 1.345 461 M HN 0.520 nan 8.290 nan 0.000 0.403 462 C N -0.041 119.264 119.300 0.008 0.000 2.455 462 C HA -0.150 4.310 4.460 0.000 0.000 0.281 462 C C 2.610 177.604 174.990 0.007 0.000 1.237 462 C CA 0.826 59.848 59.018 0.007 0.000 1.726 462 C CB -1.008 26.733 27.740 0.002 0.000 2.068 462 C HN 0.565 nan 8.230 nan 0.000 0.466 463 E N 0.301 120.503 120.200 0.002 0.000 2.204 463 E HA -0.189 4.161 4.350 0.000 0.000 0.195 463 E C 1.673 178.277 176.600 0.007 0.000 0.990 463 E CA 1.109 57.511 56.400 0.002 0.000 0.821 463 E CB -0.216 29.483 29.700 -0.002 0.000 0.750 463 E HN 0.617 nan 8.360 nan 0.000 0.477 464 N N -1.493 117.215 118.700 0.012 0.000 2.135 464 N HA -0.060 4.680 4.740 0.000 0.000 0.186 464 N C 1.166 176.687 175.510 0.019 0.000 1.027 464 N CA 1.369 54.430 53.050 0.018 0.000 0.849 464 N CB 0.418 38.923 38.487 0.031 0.000 1.002 464 N HN 0.220 nan 8.380 nan 0.000 0.425 465 G N -0.867 107.945 108.800 0.021 0.000 4.241 465 G HA2 -0.229 3.731 3.960 0.000 0.000 0.193 465 G HA3 -0.229 3.731 3.960 0.000 0.000 0.193 465 G C -0.027 174.888 174.900 0.025 0.000 1.789 465 G CA -0.162 44.950 45.100 0.021 0.000 1.025 465 G HN 0.473 nan 8.290 nan 0.000 0.346 466 V N 1.097 121.032 119.914 0.035 0.000 4.511 466 V HA 0.241 4.361 4.120 0.000 0.000 0.193 466 V C 0.283 176.397 176.094 0.033 0.000 0.903 466 V CA 0.507 62.833 62.300 0.043 0.000 0.895 466 V CB -2.169 29.691 31.823 0.061 0.000 0.601 466 V HN 1.441 nan 8.190 nan 0.000 0.416 467 V N 0.564 120.494 119.914 0.027 0.000 3.007 467 V HA 0.734 4.854 4.120 0.000 0.000 0.311 467 V C 0.047 176.153 176.094 0.020 0.000 1.120 467 V CA -0.958 61.356 62.300 0.024 0.000 0.980 467 V CB 2.000 33.837 31.823 0.023 0.000 1.033 467 V HN 0.723 nan 8.190 nan 0.000 0.429 468 E N 2.577 122.788 120.200 0.019 0.000 2.267 468 E HA 0.642 4.992 4.350 0.000 0.000 0.258 468 E C -2.738 173.870 176.600 0.013 0.000 1.074 468 E CA -1.999 54.410 56.400 0.014 0.000 0.915 468 E CB 1.180 30.888 29.700 0.013 0.000 1.186 468 E HN 0.449 nan 8.360 nan 0.000 0.439 469 P HA 0.121 nan 4.420 nan 0.000 0.312 469 P C 0.417 177.722 177.300 0.008 0.000 1.308 469 P CA -0.585 62.520 63.100 0.008 0.000 0.743 469 P CB 0.759 32.462 31.700 0.006 0.000 1.364 470 L N -0.921 120.305 121.223 0.006 0.000 2.463 470 L HA 0.186 4.526 4.340 0.000 0.000 0.219 470 L C 2.356 179.229 176.870 0.004 0.000 1.088 470 L CA 0.847 55.691 54.840 0.006 0.000 0.849 470 L CB -0.202 41.861 42.059 0.006 0.000 1.012 470 L HN 0.304 nan 8.230 nan 0.000 0.468 471 R N -0.633 119.869 120.500 0.004 0.000 2.119 471 R HA -0.074 4.266 4.340 0.000 0.000 0.222 471 R C 2.124 178.426 176.300 0.003 0.000 1.088 471 R CA 0.749 56.850 56.100 0.003 0.000 0.984 471 R CB 0.138 30.439 30.300 0.002 0.000 0.884 471 R HN 0.135 nan 8.270 nan 0.000 0.447 472 V N 1.121 121.038 119.914 0.004 0.000 2.219 472 V HA -0.280 3.840 4.120 0.000 0.000 0.248 472 V C 2.171 178.268 176.094 0.005 0.000 1.053 472 V CA 1.663 63.966 62.300 0.004 0.000 1.009 472 V CB -0.537 31.289 31.823 0.004 0.000 0.636 472 V HN 0.172 nan 8.190 nan 0.000 0.445 473 K N 0.649 121.053 120.400 0.007 0.000 2.362 473 K HA -0.073 4.247 4.320 0.000 0.000 0.200 473 K C 2.228 178.833 176.600 0.009 0.000 1.046 473 K CA 1.632 57.924 56.287 0.008 0.000 0.952 473 K CB -0.716 31.789 32.500 0.009 0.000 0.753 473 K HN 0.840 nan 8.250 nan 0.000 0.466 474 T N -2.369 112.189 114.554 0.007 0.000 2.978 474 T HA -0.062 4.288 4.350 0.000 0.000 0.262 474 T C 1.904 176.610 174.700 0.009 0.000 1.063 474 T CA 0.634 62.738 62.100 0.006 0.000 1.140 474 T CB 0.091 68.961 68.868 0.003 0.000 0.886 474 T HN 0.017 nan 8.240 nan 0.000 0.470 475 Q N 2.020 121.824 119.800 0.008 0.000 2.036 475 Q HA 0.370 4.710 4.340 0.000 0.000 0.195 475 Q C 2.402 178.409 176.000 0.011 0.000 0.971 475 Q CA 1.521 57.328 55.803 0.008 0.000 0.826 475 Q CB -1.081 27.659 28.738 0.005 0.000 0.896 475 Q HN 0.478 nan 8.270 nan 0.000 0.449 476 A N 1.958 124.783 122.820 0.009 0.000 2.182 476 A HA -0.378 3.942 4.320 0.000 0.000 0.235 476 A C 1.886 179.480 177.584 0.018 0.000 1.757 476 A CA 3.044 55.086 52.037 0.009 0.000 0.923 476 A CB -1.809 17.194 19.000 0.005 0.000 0.784 476 A HN 0.664 nan 8.150 nan 0.000 0.514 477 I N -1.619 118.967 120.570 0.028 0.000 4.442 477 I HA -0.543 3.627 4.170 0.000 0.000 0.102 477 I C 2.485 178.639 176.117 0.062 0.000 0.669 477 I CA 2.960 64.293 61.300 0.054 0.000 0.707 477 I CB -1.819 36.225 38.000 0.073 0.000 0.598 477 I HN 0.707 nan 8.210 nan 0.000 0.214 478 Q N 1.382 121.208 119.800 0.042 0.000 2.033 478 Q HA -0.104 4.236 4.340 0.000 0.000 0.196 478 Q C 2.391 178.415 176.000 0.040 0.000 0.970 478 Q CA 1.857 57.686 55.803 0.043 0.000 0.828 478 Q CB -0.462 28.290 28.738 0.024 0.000 0.895 478 Q HN 0.791 nan 8.270 nan 0.000 0.440 479 S N 1.533 117.248 115.700 0.026 0.000 2.399 479 S HA -0.313 4.157 4.470 0.000 0.000 0.235 479 S C 2.132 176.744 174.600 0.020 0.000 1.063 479 S CA 1.463 59.674 58.200 0.019 0.000 1.070 479 S CB -0.633 62.574 63.200 0.012 0.000 0.904 479 S HN 0.461 nan 8.310 nan 0.000 0.456 480 A N 1.563 124.395 122.820 0.021 0.000 1.935 480 A HA 0.601 4.921 4.320 0.000 0.000 0.214 480 A C 2.507 180.104 177.584 0.022 0.000 1.178 480 A CA 1.244 53.287 52.037 0.010 0.000 0.640 480 A CB -1.224 17.775 19.000 -0.001 0.000 0.825 480 A HN 0.907 nan 8.150 nan 0.000 0.447 481 A N -0.005 122.860 122.820 0.074 0.000 1.929 481 A HA -0.077 4.243 4.320 0.000 0.000 0.216 481 A C 1.715 179.375 177.584 0.125 0.000 1.176 481 A CA 1.314 53.438 52.037 0.144 0.000 0.628 481 A CB -0.345 18.818 19.000 0.271 0.000 0.816 481 A HN 0.538 nan 8.150 nan 0.000 0.444 482 E N -0.357 119.894 120.200 0.085 0.000 2.476 482 E HA 0.056 4.406 4.350 0.000 0.000 0.191 482 E C 1.061 177.683 176.600 0.037 0.000 1.064 482 E CA 0.282 56.719 56.400 0.062 0.000 0.866 482 E CB 0.125 29.856 29.700 0.051 0.000 0.952 482 E HN 0.465 nan 8.360 nan 0.000 0.492 483 S N -0.041 115.675 115.700 0.026 0.000 2.502 483 S HA -0.038 4.432 4.470 0.000 0.000 0.215 483 S C 1.969 176.568 174.600 -0.002 0.000 1.009 483 S CA 0.762 58.968 58.200 0.009 0.000 0.908 483 S CB 0.299 63.501 63.200 0.002 0.000 0.801 483 S HN 0.419 nan 8.310 nan 0.000 0.505 484 T N -0.167 114.384 114.554 -0.006 0.000 3.051 484 T HA 0.079 4.429 4.350 0.000 0.000 0.255 484 T C 1.413 176.100 174.700 -0.021 0.000 1.085 484 T CA 0.764 62.847 62.100 -0.028 0.000 1.109 484 T CB -0.203 68.629 68.868 -0.060 0.000 0.921 484 T HN 0.537 nan 8.240 nan 0.000 0.488 485 E N 2.432 122.642 120.200 0.016 0.000 2.007 485 E HA -0.151 4.199 4.350 0.000 0.000 0.194 485 E C 2.273 178.892 176.600 0.031 0.000 0.999 485 E CA 1.254 57.679 56.400 0.041 0.000 0.811 485 E CB -0.721 29.034 29.700 0.091 0.000 0.762 485 E HN 0.478 nan 8.360 nan 0.000 0.450 486 M N 1.402 121.018 119.600 0.027 0.000 4.307 486 M HA -0.391 4.089 4.480 0.000 0.000 0.296 486 M C 2.199 178.502 176.300 0.005 0.000 0.992 486 M CA 2.334 57.644 55.300 0.016 0.000 1.028 486 M CB -0.661 31.944 32.600 0.009 0.000 1.236 486 M HN 0.286 nan 8.290 nan 0.000 0.682 487 L N 0.040 121.259 121.223 -0.005 0.000 2.054 487 L HA -0.300 4.040 4.340 0.000 0.000 0.220 487 L C 2.661 179.520 176.870 -0.017 0.000 1.081 487 L CA 1.908 56.737 54.840 -0.017 0.000 0.780 487 L CB -1.036 41.008 42.059 -0.026 0.000 0.893 487 L HN 0.639 nan 8.230 nan 0.000 0.438 488 L N -0.050 121.165 121.223 -0.013 0.000 2.551 488 L HA -0.114 4.226 4.340 0.000 0.000 0.228 488 L C 2.604 179.470 176.870 -0.006 0.000 1.153 488 L CA 0.717 55.549 54.840 -0.014 0.000 0.851 488 L CB -0.196 41.859 42.059 -0.006 0.000 0.959 488 L HN 0.336 nan 8.230 nan 0.000 0.451 489 R N 0.001 120.502 120.500 0.002 0.000 2.052 489 R HA 0.000 4.340 4.340 0.000 0.000 0.224 489 R C 0.594 176.895 176.300 0.001 0.000 1.165 489 R CA -0.089 56.015 56.100 0.007 0.000 0.939 489 R CB -0.849 29.465 30.300 0.023 0.000 0.834 489 R HN 0.006 nan 8.270 nan 0.000 0.435 490 I N 3.368 123.938 120.570 -0.000 0.000 3.275 490 I HA -0.217 3.953 4.170 0.000 0.000 0.345 490 I C 0.765 176.879 176.117 -0.004 0.000 1.202 490 I CA 0.705 62.003 61.300 -0.004 0.000 1.483 490 I CB -0.199 37.791 38.000 -0.017 0.000 1.293 490 I HN 0.594 nan 8.210 nan 0.000 0.508 491 D N 3.232 123.636 120.400 0.007 0.000 2.567 491 D HA 0.093 4.733 4.640 0.000 0.000 0.268 491 D C -0.582 175.736 176.300 0.031 0.000 1.448 491 D CA -0.141 53.869 54.000 0.017 0.000 0.811 491 D CB 0.238 41.049 40.800 0.018 0.000 1.192 491 D HN 0.563 nan 8.370 nan 0.000 0.488 492 D N 0.322 120.739 120.400 0.029 0.000 2.251 492 D HA 0.204 4.844 4.640 0.000 0.000 0.210 492 D C -1.784 174.529 176.300 0.023 0.000 1.304 492 D CA -0.360 53.660 54.000 0.034 0.000 0.912 492 D CB 1.348 42.162 40.800 0.025 0.000 1.553 492 D HN -0.145 nan 8.370 nan 0.000 0.526 493 V N 4.782 124.719 119.914 0.038 0.000 2.417 493 V HA 0.557 4.677 4.120 0.000 0.000 0.291 493 V C 0.132 176.207 176.094 -0.031 0.000 1.024 493 V CA -0.656 61.651 62.300 0.011 0.000 0.861 493 V CB 1.593 33.437 31.823 0.036 0.000 0.985 493 V HN 0.504 nan 8.190 nan 0.000 0.436 494 I N 3.791 124.337 120.570 -0.041 0.000 2.382 494 I HA 0.885 5.055 4.170 0.000 0.000 0.286 494 I C 0.055 176.143 176.117 -0.049 0.000 1.002 494 I CA -0.368 60.892 61.300 -0.068 0.000 1.135 494 I CB 1.379 39.348 38.000 -0.051 0.000 1.288 494 I HN 0.673 nan 8.210 nan 0.000 0.448 495 A N 4.471 127.252 122.820 -0.066 0.000 2.552 495 A HA 1.009 5.329 4.320 0.000 0.000 0.288 495 A C -1.087 176.478 177.584 -0.032 0.000 1.193 495 A CA -0.428 51.592 52.037 -0.027 0.000 0.713 495 A CB 1.853 20.866 19.000 0.022 0.000 1.305 495 A HN 0.859 nan 8.150 nan 0.000 0.424 496 A N -0.710 122.106 122.820 -0.006 0.000 2.443 496 A HA 0.883 5.203 4.320 0.000 0.000 0.278 496 A C -0.502 177.082 177.584 0.000 0.000 1.252 496 A CA -0.335 51.703 52.037 0.001 0.000 0.816 496 A CB 1.312 20.323 19.000 0.018 0.000 1.369 496 A HN 0.851 nan 8.150 nan 0.000 0.446 497 E N 0.000 120.201 120.200 0.002 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.402 56.400 0.003 0.000 0.976 497 E CB 0.000 29.700 29.700 0.000 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440