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 1h5n_1_C DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGXX XXXXXXXXXX XASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVQMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.842 54.840 0.003 0.000 0.813 3 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 4 A N 2.715 125.539 122.820 0.007 0.000 2.445 4 A HA 0.574 4.896 4.320 0.003 0.000 0.242 4 A C -0.356 177.233 177.584 0.007 0.000 1.075 4 A CA -0.019 52.022 52.037 0.008 0.000 0.777 4 A CB 0.106 19.114 19.000 0.013 0.000 1.013 4 A HN 0.709 nan 8.150 nan 0.000 0.493 5 N N 0.667 119.370 118.700 0.004 0.000 2.410 5 N HA 0.640 5.382 4.740 0.003 0.000 0.287 5 N C -0.045 175.466 175.510 0.002 0.000 1.044 5 N CA 0.433 53.484 53.050 0.003 0.000 0.881 5 N CB 2.159 40.645 38.487 -0.002 0.000 1.405 5 N HN 1.126 nan 8.380 nan 0.000 0.490 6 G N 0.242 109.045 108.800 0.004 0.000 2.367 6 G HA2 0.273 4.234 3.960 0.003 0.000 0.272 6 G HA3 0.273 4.234 3.960 0.003 0.000 0.272 6 G C -1.511 173.391 174.900 0.002 0.000 1.271 6 G CA -0.489 44.610 45.100 -0.001 0.000 0.893 6 G HN 0.540 nan 8.290 nan 0.000 0.485 7 T N -2.663 111.884 114.554 -0.012 0.000 2.900 7 T HA 0.774 5.125 4.350 0.003 0.000 0.295 7 T C -1.173 173.497 174.700 -0.049 0.000 1.044 7 T CA -0.756 61.335 62.100 -0.016 0.000 0.995 7 T CB 2.060 70.916 68.868 -0.019 0.000 1.072 7 T HN 1.366 nan 8.240 nan 0.000 0.473 8 V N 2.904 122.777 119.914 -0.068 0.000 2.733 8 V HA 0.501 4.623 4.120 0.003 0.000 0.306 8 V C -0.417 175.539 176.094 -0.230 0.000 1.084 8 V CA -0.923 61.297 62.300 -0.133 0.000 0.905 8 V CB 1.988 33.754 31.823 -0.095 0.000 1.010 8 V HN 1.119 nan 8.190 nan 0.000 0.424 9 M N 3.838 123.246 119.600 -0.320 0.000 2.188 9 M HA 0.675 5.156 4.480 0.003 0.000 0.357 9 M C -0.002 175.942 176.300 -0.593 0.000 1.204 9 M CA 0.700 55.719 55.300 -0.468 0.000 1.095 9 M CB 1.240 33.581 32.600 -0.432 0.000 1.604 9 M HN 0.858 nan 8.290 nan 0.000 0.464 10 S N 2.565 117.728 115.700 -0.896 0.000 3.070 10 S HA 0.991 5.462 4.470 0.003 0.000 0.320 10 S C -0.790 173.269 174.600 -0.902 0.000 1.215 10 S CA -0.177 57.569 58.200 -0.757 0.000 0.956 10 S CB 1.525 64.432 63.200 -0.488 0.000 1.337 10 S HN 0.982 nan 8.310 nan 0.000 0.639 11 G N 0.190 108.719 108.800 -0.452 0.000 2.600 11 G HA2 0.672 4.633 3.960 0.003 0.000 0.293 11 G HA3 0.672 4.633 3.960 0.003 0.000 0.293 11 G C -1.026 174.048 174.900 0.290 0.000 1.408 11 G CA 0.278 45.301 45.100 -0.128 0.000 0.782 11 G HN 1.660 nan 8.290 nan 0.000 0.482 12 S N -2.390 113.510 115.700 0.334 0.000 2.683 12 S HA 0.382 4.853 4.470 0.003 0.000 0.269 12 S C 0.216 174.962 174.600 0.242 0.000 1.165 12 S CA -0.516 57.923 58.200 0.400 0.000 0.840 12 S CB 0.991 64.666 63.200 0.790 0.000 1.169 12 S HN 0.581 nan 8.310 nan 0.000 0.490 13 H N -0.167 119.017 119.070 0.190 0.000 2.518 13 H HA 0.028 4.586 4.556 0.003 0.000 0.289 13 H C 0.509 175.773 175.328 -0.107 0.000 1.051 13 H CA 1.570 57.553 56.048 -0.109 0.000 1.280 13 H CB 0.029 29.491 29.762 -0.501 0.000 1.380 13 H HN 0.573 nan 8.280 nan 0.000 0.566 14 W N 0.559 122.060 121.300 0.335 0.000 3.211 14 W HA 0.354 5.016 4.660 0.003 0.000 0.292 14 W C 0.613 177.320 176.519 0.313 0.000 1.268 14 W CA 0.823 58.353 57.345 0.308 0.000 1.702 14 W CB 1.010 30.621 29.460 0.253 0.000 1.092 14 W HN 0.184 nan 8.180 nan 0.000 0.643 15 G N -0.086 108.973 108.800 0.432 0.000 2.361 15 G HA2 0.044 4.005 3.960 0.003 0.000 0.331 15 G HA3 0.044 4.005 3.960 0.003 0.000 0.331 15 G C -1.524 173.555 174.900 0.299 0.000 1.324 15 G CA -1.211 44.075 45.100 0.309 0.000 0.984 15 G HN -0.226 nan 8.290 nan 0.000 0.586 16 V N 0.778 120.791 119.914 0.165 0.000 2.583 16 V HA 0.746 4.868 4.120 0.003 0.000 0.287 16 V C 0.334 176.481 176.094 0.089 0.000 1.051 16 V CA 0.533 62.786 62.300 -0.079 0.000 1.010 16 V CB 0.181 31.732 31.823 -0.453 0.000 0.988 16 V HN 1.262 nan 8.190 nan 0.000 0.478 17 F N 1.004 120.867 119.950 -0.145 0.000 2.745 17 F HA 0.787 5.316 4.527 0.003 0.000 0.316 17 F C -0.543 175.135 175.800 -0.203 0.000 1.155 17 F CA -0.933 56.992 58.000 -0.126 0.000 0.937 17 F CB 1.748 40.634 39.000 -0.190 0.000 1.361 17 F HN 0.219 nan 8.300 nan 0.000 0.472 18 T N 1.740 116.307 114.554 0.022 0.000 2.786 18 T HA 0.739 5.091 4.350 0.003 0.000 0.283 18 T C -0.440 174.328 174.700 0.112 0.000 0.992 18 T CA -0.436 61.631 62.100 -0.056 0.000 0.954 18 T CB 1.191 70.050 68.868 -0.016 0.000 0.934 18 T HN 0.922 nan 8.240 nan 0.000 0.440 19 A N 3.103 125.961 122.820 0.064 0.000 2.309 19 A HA 0.653 4.975 4.320 0.003 0.000 0.298 19 A C 0.494 178.157 177.584 0.131 0.000 1.165 19 A CA -0.538 51.618 52.037 0.198 0.000 0.821 19 A CB 0.290 19.427 19.000 0.228 0.000 1.102 19 A HN 0.690 nan 8.150 nan 0.000 0.500 20 T N 2.061 116.705 114.554 0.151 0.000 2.771 20 T HA 0.477 4.828 4.350 0.003 0.000 0.291 20 T C -0.264 174.488 174.700 0.087 0.000 0.954 20 T CA -0.123 62.028 62.100 0.085 0.000 1.045 20 T CB 0.790 69.695 68.868 0.061 0.000 0.917 20 T HN 0.404 nan 8.240 nan 0.000 0.484 21 V N 4.292 124.241 119.914 0.058 0.000 2.448 21 V HA 0.444 4.566 4.120 0.003 0.000 0.295 21 V C -0.154 175.953 176.094 0.021 0.000 1.025 21 V CA -0.762 61.569 62.300 0.051 0.000 0.859 21 V CB 1.694 33.550 31.823 0.055 0.000 0.988 21 V HN 0.865 nan 8.190 nan 0.000 0.431 22 E N 4.119 124.323 120.200 0.007 0.000 2.244 22 E HA 0.408 4.759 4.350 0.003 0.000 0.260 22 E C -0.578 176.012 176.600 -0.016 0.000 0.884 22 E CA -0.721 55.673 56.400 -0.009 0.000 0.777 22 E CB 1.229 30.916 29.700 -0.021 0.000 1.197 22 E HN 0.664 nan 8.360 nan 0.000 0.416 23 N N 2.126 120.820 118.700 -0.010 0.000 2.727 23 N HA -0.223 4.519 4.740 0.003 0.000 0.249 23 N C 0.668 176.174 175.510 -0.006 0.000 1.048 23 N CA 1.415 54.458 53.050 -0.011 0.000 0.714 23 N CB -1.160 37.315 38.487 -0.020 0.000 0.959 23 N HN 1.064 nan 8.380 nan 0.000 0.544 24 G N -0.759 108.045 108.800 0.008 0.000 2.162 24 G HA2 -0.374 3.587 3.960 0.003 0.000 0.260 24 G HA3 -0.374 3.587 3.960 0.003 0.000 0.260 24 G C 0.056 174.981 174.900 0.043 0.000 0.976 24 G CA 0.713 45.827 45.100 0.023 0.000 0.655 24 G HN 0.703 nan 8.290 nan 0.000 0.533 25 R N 0.330 120.842 120.500 0.019 0.000 2.494 25 R HA 0.681 5.023 4.340 0.003 0.000 0.305 25 R C 0.367 176.687 176.300 0.034 0.000 0.959 25 R CA -0.063 56.040 56.100 0.005 0.000 0.864 25 R CB 1.042 31.251 30.300 -0.151 0.000 1.159 25 R HN 0.554 nan 8.270 nan 0.000 0.446 26 A N 2.546 125.457 122.820 0.151 0.000 2.451 26 A HA 0.182 4.503 4.320 0.003 0.000 0.266 26 A C 0.901 178.501 177.584 0.028 0.000 1.119 26 A CA 0.041 52.180 52.037 0.170 0.000 0.786 26 A CB 0.352 19.550 19.000 0.331 0.000 1.061 26 A HN 0.918 nan 8.150 nan 0.000 0.503 27 T N -1.097 113.459 114.554 0.005 0.000 2.975 27 T HA 0.595 4.946 4.350 0.003 0.000 0.257 27 T C 0.308 174.978 174.700 -0.051 0.000 1.003 27 T CA 0.637 62.698 62.100 -0.065 0.000 0.932 27 T CB 0.073 68.903 68.868 -0.063 0.000 1.087 27 T HN 1.830 nan 8.240 nan 0.000 0.512 28 A N 0.711 123.546 122.820 0.025 0.000 2.605 28 A HA 0.668 4.990 4.320 0.003 0.000 0.294 28 A C -2.119 175.626 177.584 0.267 0.000 1.062 28 A CA -0.743 51.318 52.037 0.040 0.000 0.682 28 A CB 0.970 19.995 19.000 0.040 0.000 1.278 28 A HN 0.152 nan 8.150 nan 0.000 0.410 29 F N 1.346 121.240 119.950 -0.093 0.000 2.445 29 F HA 0.562 5.091 4.527 0.003 0.000 0.348 29 F C 0.354 176.149 175.800 -0.009 0.000 1.125 29 F CA -0.734 57.208 58.000 -0.095 0.000 0.983 29 F CB 2.043 40.776 39.000 -0.445 0.000 1.198 29 F HN 0.432 nan 8.300 nan 0.000 0.436 30 T N 5.837 120.531 114.554 0.233 0.000 2.767 30 T HA 0.387 4.739 4.350 0.003 0.000 0.284 30 T C -2.544 172.276 174.700 0.201 0.000 0.973 30 T CA -1.580 60.616 62.100 0.160 0.000 0.996 30 T CB 1.466 70.401 68.868 0.112 0.000 0.927 30 T HN 0.101 nan 8.240 nan 0.000 0.456 31 P HA -0.019 nan 4.420 nan 0.000 0.265 31 P C -0.260 177.195 177.300 0.260 0.000 1.187 31 P CA -0.594 62.642 63.100 0.227 0.000 0.766 31 P CB 0.375 32.169 31.700 0.156 0.000 0.820 32 W N 4.388 125.730 121.300 0.070 0.000 2.391 32 W HA -0.057 4.604 4.660 0.002 0.000 0.339 32 W C 1.367 177.898 176.519 0.019 0.000 1.252 32 W CA -0.195 57.160 57.345 0.017 0.000 1.304 32 W CB -0.131 29.335 29.460 0.010 0.000 1.179 32 W HN 0.614 nan 8.180 nan 0.000 0.567 33 E N 2.729 122.925 120.200 -0.007 0.000 2.338 33 E HA -0.180 4.172 4.350 0.003 0.000 0.197 33 E C 1.094 177.439 176.600 -0.424 0.000 1.007 33 E CA 1.297 57.595 56.400 -0.171 0.000 0.849 33 E CB -0.071 29.571 29.700 -0.097 0.000 0.774 33 E HN 0.562 nan 8.360 nan 0.000 0.506 34 K N 0.809 120.597 120.400 -1.020 0.000 2.404 34 K HA 0.027 4.349 4.320 0.003 0.000 0.194 34 K C 0.237 176.396 176.600 -0.735 0.000 1.023 34 K CA 0.045 55.702 56.287 -1.049 0.000 1.094 34 K CB 0.208 31.746 32.500 -1.605 0.000 0.841 34 K HN 0.065 nan 8.250 nan 0.000 0.523 35 D N 2.275 122.431 120.400 -0.407 0.000 2.371 35 D HA 0.006 4.648 4.640 0.003 0.000 0.256 35 D C -1.421 174.885 176.300 0.009 0.000 1.193 35 D CA -1.854 52.154 54.000 0.013 0.000 0.881 35 D CB 1.366 42.332 40.800 0.276 0.000 1.143 35 D HN -0.012 nan 8.370 nan 0.000 0.473 36 P HA -0.056 nan 4.420 nan 0.000 0.233 36 P C -0.197 177.153 177.300 0.083 0.000 1.167 36 P CA 0.674 63.806 63.100 0.053 0.000 0.770 36 P CB 0.274 32.022 31.700 0.081 0.000 0.837 37 H N -1.200 117.832 119.070 -0.063 0.000 2.826 37 H HA 0.307 4.865 4.556 0.003 0.000 0.255 37 H C -2.843 172.214 175.328 -0.453 0.000 1.427 37 H CA -1.418 54.437 56.048 -0.322 0.000 1.521 37 H CB 0.466 29.866 29.762 -0.604 0.000 1.934 37 H HN -0.118 nan 8.280 nan 0.000 0.644 38 P HA 0.056 nan 4.420 nan 0.000 0.270 38 P C -0.211 176.945 177.300 -0.240 0.000 1.223 38 P CA -0.135 62.889 63.100 -0.126 0.000 0.785 38 P CB 1.284 32.974 31.700 -0.017 0.000 0.923 39 S N 1.616 117.282 115.700 -0.056 0.000 2.508 39 S HA 0.384 4.855 4.470 0.003 0.000 0.284 39 S C -1.675 172.934 174.600 0.015 0.000 1.192 39 S CA -1.681 56.517 58.200 -0.002 0.000 1.070 39 S CB 0.105 63.434 63.200 0.215 0.000 1.004 39 S HN 0.184 nan 8.310 nan 0.000 0.493 40 P HA 0.035 nan 4.420 nan 0.000 0.226 40 P C 1.095 178.377 177.300 -0.029 0.000 1.153 40 P CA 0.946 64.040 63.100 -0.009 0.000 0.777 40 P CB 0.048 31.758 31.700 0.017 0.000 0.794 41 M N -1.582 118.008 119.600 -0.015 0.000 2.549 41 M HA -0.081 4.401 4.480 0.003 0.000 0.260 41 M C 1.685 177.768 176.300 -0.363 0.000 1.076 41 M CA 1.109 56.310 55.300 -0.165 0.000 1.090 41 M CB -0.684 31.826 32.600 -0.150 0.000 1.418 41 M HN 0.001 nan 8.290 nan 0.000 0.486 42 L N -0.085 120.994 121.223 -0.240 0.000 2.127 42 L HA -0.222 4.119 4.340 0.003 0.000 0.211 42 L C 2.822 179.504 176.870 -0.314 0.000 1.089 42 L CA 1.185 55.872 54.840 -0.255 0.000 0.757 42 L CB -0.820 41.190 42.059 -0.082 0.000 0.899 42 L HN 0.339 nan 8.230 nan 0.000 0.434 43 A N 0.224 122.895 122.820 -0.248 0.000 1.908 43 A HA -0.170 4.152 4.320 0.003 0.000 0.218 43 A C 2.392 179.778 177.584 -0.331 0.000 1.181 43 A CA 1.865 53.737 52.037 -0.276 0.000 0.627 43 A CB -1.192 17.696 19.000 -0.186 0.000 0.818 43 A HN 0.459 nan 8.150 nan 0.000 0.445 44 G N -0.707 107.911 108.800 -0.304 0.000 2.408 44 G HA2 -0.050 3.912 3.960 0.003 0.000 0.217 44 G HA3 -0.050 3.912 3.960 0.003 0.000 0.217 44 G C 1.483 176.179 174.900 -0.341 0.000 1.150 44 G CA 1.138 46.070 45.100 -0.280 0.000 0.776 44 G HN 0.324 nan 8.290 nan 0.000 0.542 45 V N 1.023 120.637 119.914 -0.500 0.000 2.287 45 V HA -0.178 3.943 4.120 0.003 0.000 0.248 45 V C 2.678 178.488 176.094 -0.473 0.000 1.053 45 V CA 1.718 63.743 62.300 -0.458 0.000 1.027 45 V CB -0.647 30.864 31.823 -0.519 0.000 0.646 45 V HN 0.376 nan 8.190 nan 0.000 0.447 46 L N 0.973 121.649 121.223 -0.913 0.000 2.013 46 L HA -0.230 4.112 4.340 0.003 0.000 0.212 46 L C 2.101 178.713 176.870 -0.430 0.000 1.073 46 L CA 2.656 56.807 54.840 -1.149 0.000 0.753 46 L CB -1.019 40.157 42.059 -1.472 0.000 0.890 46 L HN 0.420 nan 8.230 nan 0.000 0.432 47 D N -1.126 119.092 120.400 -0.304 0.000 2.178 47 D HA -0.194 4.448 4.640 0.003 0.000 0.201 47 D C 2.341 178.628 176.300 -0.021 0.000 0.980 47 D CA 1.233 55.168 54.000 -0.108 0.000 0.842 47 D CB -0.077 40.649 40.800 -0.124 0.000 0.948 47 D HN 0.609 nan 8.370 nan 0.000 0.472 48 S N -0.519 115.161 115.700 -0.033 0.000 2.442 48 S HA -0.151 4.321 4.470 0.003 0.000 0.236 48 S C 2.153 176.796 174.600 0.072 0.000 1.007 48 S CA 0.659 58.922 58.200 0.105 0.000 0.965 48 S CB -0.716 62.623 63.200 0.232 0.000 0.773 48 S HN 0.404 nan 8.310 nan 0.000 0.504 49 I N -0.590 119.911 120.570 -0.115 0.000 2.315 49 I HA -0.120 4.052 4.170 0.003 0.000 0.248 49 I C 1.647 177.503 176.117 -0.436 0.000 1.117 49 I CA 1.431 62.508 61.300 -0.371 0.000 1.404 49 I CB -0.279 37.295 38.000 -0.710 0.000 1.071 49 I HN 0.330 nan 8.210 nan 0.000 0.419 50 Y N -0.105 120.225 120.300 0.050 0.000 2.500 50 Y HA 0.187 4.738 4.550 0.003 0.000 0.246 50 Y C 1.732 177.690 175.900 0.097 0.000 1.146 50 Y CA -0.475 57.672 58.100 0.078 0.000 1.230 50 Y CB 0.134 38.599 38.460 0.007 0.000 1.214 50 Y HN 0.010 nan 8.280 nan 0.000 0.526 51 S N 0.846 116.664 115.700 0.197 0.000 2.606 51 S HA 0.065 4.536 4.470 0.003 0.000 0.257 51 S C -1.666 173.034 174.600 0.167 0.000 1.327 51 S CA -0.907 57.384 58.200 0.152 0.000 0.984 51 S CB 0.794 64.062 63.200 0.113 0.000 0.941 51 S HN -0.052 nan 8.310 nan 0.000 0.576 52 P HA -0.009 nan 4.420 nan 0.000 0.221 52 P C 1.008 178.418 177.300 0.183 0.000 1.145 52 P CA 1.282 64.459 63.100 0.129 0.000 0.795 52 P CB -0.331 31.427 31.700 0.097 0.000 0.775 53 T N -4.164 110.549 114.554 0.266 0.000 3.235 53 T HA 0.184 4.536 4.350 0.003 0.000 0.251 53 T C 0.688 175.610 174.700 0.371 0.000 1.060 53 T CA -0.455 61.886 62.100 0.402 0.000 0.949 53 T CB -0.408 68.793 68.868 0.557 0.000 1.020 53 T HN -0.140 nan 8.240 nan 0.000 0.564 54 R N 2.142 122.795 120.500 0.255 0.000 2.489 54 R HA 0.294 4.636 4.340 0.003 0.000 0.287 54 R C -0.273 176.057 176.300 0.049 0.000 1.053 54 R CA -0.765 55.442 56.100 0.180 0.000 1.036 54 R CB -0.467 29.951 30.300 0.197 0.000 0.966 54 R HN 0.411 nan 8.270 nan 0.000 0.432 55 I N 6.477 126.966 120.570 -0.134 0.000 2.436 55 I HA 0.014 4.186 4.170 0.003 0.000 0.289 55 I C 1.054 177.014 176.117 -0.261 0.000 1.083 55 I CA 0.057 61.135 61.300 -0.370 0.000 1.372 55 I CB 1.009 38.562 38.000 -0.745 0.000 1.408 55 I HN 0.693 nan 8.210 nan 0.000 0.516 56 K N 5.440 125.600 120.400 -0.400 0.000 2.098 56 K HA 0.078 4.399 4.320 0.003 0.000 0.203 56 K C -0.370 175.832 176.600 -0.664 0.000 1.051 56 K CA 1.081 56.910 56.287 -0.764 0.000 0.957 56 K CB 0.227 31.771 32.500 -1.593 0.000 0.738 56 K HN 0.447 nan 8.250 nan 0.000 0.447 57 Y N -0.303 119.935 120.300 -0.104 0.000 2.609 57 Y HA 0.307 4.859 4.550 0.003 0.000 0.342 57 Y C -2.577 173.120 175.900 -0.338 0.000 1.058 57 Y CA -3.274 54.713 58.100 -0.188 0.000 1.055 57 Y CB 0.952 39.327 38.460 -0.141 0.000 1.292 57 Y HN -0.154 nan 8.280 nan 0.000 0.476 58 P HA 0.159 nan 4.420 nan 0.000 0.271 58 P C -0.850 176.294 177.300 -0.259 0.000 1.216 58 P CA 0.256 63.031 63.100 -0.541 0.000 0.771 58 P CB 0.507 31.648 31.700 -0.933 0.000 0.864 59 M N 2.288 121.763 119.600 -0.209 0.000 2.518 59 M HA 0.441 4.922 4.480 0.003 0.000 0.300 59 M C -0.910 175.409 176.300 0.033 0.000 1.175 59 M CA -1.023 54.233 55.300 -0.072 0.000 0.890 59 M CB 2.110 34.614 32.600 -0.160 0.000 1.710 59 M HN -0.030 nan 8.290 nan 0.000 0.453 60 V N 1.592 121.612 119.914 0.177 0.000 2.588 60 V HA 0.501 4.623 4.120 0.003 0.000 0.304 60 V C 0.109 176.403 176.094 0.332 0.000 1.042 60 V CA -0.974 61.465 62.300 0.231 0.000 0.877 60 V CB 2.171 34.100 31.823 0.177 0.000 0.996 60 V HN 0.866 nan 8.190 nan 0.000 0.425 61 R N 2.940 123.613 120.500 0.289 0.000 2.522 61 R HA 0.124 4.466 4.340 0.003 0.000 0.284 61 R C 1.600 177.927 176.300 0.046 0.000 1.032 61 R CA 0.023 56.114 56.100 -0.015 0.000 1.049 61 R CB 0.399 30.630 30.300 -0.116 0.000 0.956 61 R HN 0.786 nan 8.270 nan 0.000 0.422 62 R N 3.171 123.648 120.500 -0.038 0.000 2.094 62 R HA -0.250 4.092 4.340 0.003 0.000 0.239 62 R C 1.064 177.375 176.300 0.018 0.000 1.137 62 R CA 2.545 58.644 56.100 -0.002 0.000 0.943 62 R CB -0.044 30.232 30.300 -0.040 0.000 0.850 62 R HN 0.738 nan 8.270 nan 0.000 0.433 63 E N -0.138 120.065 120.200 0.005 0.000 2.085 63 E HA -0.212 4.139 4.350 0.003 0.000 0.194 63 E C 1.608 178.252 176.600 0.075 0.000 0.994 63 E CA 1.675 58.090 56.400 0.026 0.000 0.801 63 E CB -0.424 29.289 29.700 0.021 0.000 0.743 63 E HN 0.384 nan 8.360 nan 0.000 0.453 64 F N 0.615 120.561 119.950 -0.007 0.000 2.146 64 F HA -0.088 4.441 4.527 0.003 0.000 0.298 64 F C 1.959 177.772 175.800 0.021 0.000 1.096 64 F CA 1.079 59.091 58.000 0.021 0.000 1.275 64 F CB -0.104 38.921 39.000 0.041 0.000 1.008 64 F HN -0.005 nan 8.300 nan 0.000 0.480 65 L N 0.045 121.343 121.223 0.125 0.000 2.042 65 L HA -0.238 4.104 4.340 0.003 0.000 0.210 65 L C 2.150 178.988 176.870 -0.054 0.000 1.076 65 L CA 2.017 56.880 54.840 0.038 0.000 0.749 65 L CB -0.475 41.632 42.059 0.080 0.000 0.893 65 L HN 0.286 nan 8.230 nan 0.000 0.432 66 E N -0.711 119.462 120.200 -0.044 0.000 2.122 66 E HA -0.159 4.192 4.350 0.003 0.000 0.190 66 E C 1.551 178.100 176.600 -0.086 0.000 0.977 66 E CA 0.841 57.209 56.400 -0.053 0.000 0.820 66 E CB 0.249 29.931 29.700 -0.030 0.000 0.770 66 E HN 0.401 nan 8.360 nan 0.000 0.462 67 K N -0.683 119.647 120.400 -0.116 0.000 2.440 67 K HA 0.171 4.493 4.320 0.003 0.000 0.207 67 K C 0.830 177.308 176.600 -0.203 0.000 1.112 67 K CA 0.304 56.520 56.287 -0.119 0.000 1.036 67 K CB 1.645 34.109 32.500 -0.061 0.000 0.935 67 K HN 0.172 nan 8.250 nan 0.000 0.564 68 G N 1.576 110.119 108.800 -0.428 0.000 2.660 68 G HA2 -0.441 3.520 3.960 0.003 0.000 0.321 68 G HA3 -0.441 3.520 3.960 0.003 0.000 0.321 68 G C 1.077 175.802 174.900 -0.292 0.000 1.246 68 G CA 1.286 45.958 45.100 -0.713 0.000 1.000 68 G HN 0.244 nan 8.290 nan 0.000 0.550 69 V N -1.190 118.660 119.914 -0.108 0.000 2.720 69 V HA -0.005 4.117 4.120 0.003 0.000 0.256 69 V C 1.867 177.982 176.094 0.034 0.000 1.082 69 V CA 2.673 64.996 62.300 0.039 0.000 1.101 69 V CB -0.439 31.425 31.823 0.068 0.000 0.693 69 V HN 0.577 nan 8.190 nan 0.000 0.479 70 N N 1.442 120.138 118.700 -0.007 0.000 2.314 70 N HA 0.366 5.108 4.740 0.003 0.000 0.200 70 N C 0.733 176.250 175.510 0.011 0.000 1.135 70 N CA 0.725 53.779 53.050 0.005 0.000 0.835 70 N CB 0.367 38.849 38.487 -0.008 0.000 0.989 70 N HN 0.695 nan 8.380 nan 0.000 0.478 71 A N 0.746 123.581 122.820 0.024 0.000 2.466 71 A HA -0.000 4.322 4.320 0.003 0.000 0.238 71 A C 0.373 177.991 177.584 0.056 0.000 1.074 71 A CA -0.166 51.900 52.037 0.047 0.000 0.774 71 A CB 0.227 19.298 19.000 0.117 0.000 1.015 71 A HN 0.115 nan 8.150 nan 0.000 0.498 72 D N 0.696 121.121 120.400 0.042 0.000 2.342 72 D HA 0.108 4.749 4.640 0.003 0.000 0.260 72 D C 1.084 177.418 176.300 0.056 0.000 1.278 72 D CA 0.133 54.156 54.000 0.038 0.000 0.910 72 D CB 0.310 41.121 40.800 0.019 0.000 1.079 72 D HN 0.499 nan 8.370 nan 0.000 0.496 73 R N 1.647 122.190 120.500 0.072 0.000 2.275 73 R HA -0.047 4.294 4.340 0.003 0.000 0.199 73 R C 2.053 178.408 176.300 0.092 0.000 0.989 73 R CA 0.667 56.826 56.100 0.097 0.000 1.016 73 R CB 0.077 30.442 30.300 0.108 0.000 0.918 73 R HN 0.446 nan 8.270 nan 0.000 0.473 74 S N 0.283 116.023 115.700 0.067 0.000 2.474 74 S HA -0.104 4.368 4.470 0.003 0.000 0.235 74 S C 1.777 176.400 174.600 0.040 0.000 0.997 74 S CA 1.334 59.571 58.200 0.061 0.000 0.949 74 S CB -0.244 62.982 63.200 0.043 0.000 0.766 74 S HN 0.359 nan 8.310 nan 0.000 0.517 75 T N -1.047 113.515 114.554 0.013 0.000 3.107 75 T HA 0.303 4.655 4.350 0.003 0.000 0.249 75 T C 0.588 175.240 174.700 -0.081 0.000 1.096 75 T CA -0.627 61.450 62.100 -0.038 0.000 1.012 75 T CB -0.364 68.469 68.868 -0.057 0.000 0.977 75 T HN 0.277 nan 8.240 nan 0.000 0.527 76 R N 0.975 121.464 120.500 -0.020 0.000 2.585 76 R HA 0.369 4.711 4.340 0.003 0.000 0.275 76 R C 1.499 177.631 176.300 -0.280 0.000 1.018 76 R CA 1.171 57.230 56.100 -0.067 0.000 1.072 76 R CB -0.044 30.334 30.300 0.130 0.000 0.953 76 R HN 0.536 nan 8.270 nan 0.000 0.419 77 G N 2.168 110.645 108.800 -0.537 0.000 2.195 77 G HA2 -0.308 3.654 3.960 0.003 0.000 0.246 77 G HA3 -0.308 3.654 3.960 0.003 0.000 0.246 77 G C 0.572 175.180 174.900 -0.487 0.000 0.984 77 G CA 0.311 44.873 45.100 -0.897 0.000 0.633 77 G HN 0.743 nan 8.290 nan 0.000 0.525 78 N N 1.164 119.651 118.700 -0.354 0.000 2.521 78 N HA 0.336 5.078 4.740 0.003 0.000 0.188 78 N C 1.786 177.136 175.510 -0.267 0.000 1.146 78 N CA 1.324 54.218 53.050 -0.260 0.000 0.893 78 N CB -0.446 37.925 38.487 -0.193 0.000 0.975 78 N HN 1.757 nan 8.380 nan 0.000 0.451 79 G N -0.107 108.492 108.800 -0.334 0.000 2.179 79 G HA2 -0.298 3.663 3.960 0.003 0.000 0.260 79 G HA3 -0.298 3.663 3.960 0.003 0.000 0.260 79 G C -0.343 174.388 174.900 -0.282 0.000 0.977 79 G CA 0.254 45.199 45.100 -0.258 0.000 0.641 79 G HN 0.576 nan 8.290 nan 0.000 0.533 80 D N 0.623 120.791 120.400 -0.388 0.000 2.508 80 D HA 0.483 5.124 4.640 0.003 0.000 0.224 80 D C 0.231 176.318 176.300 -0.355 0.000 1.171 80 D CA -0.182 53.651 54.000 -0.277 0.000 1.006 80 D CB -0.705 39.969 40.800 -0.211 0.000 1.073 80 D HN 0.223 nan 8.370 nan 0.000 0.513 81 F N 0.970 120.870 119.950 -0.082 0.000 2.483 81 F HA 0.500 5.028 4.527 0.003 0.000 0.329 81 F C 0.433 176.212 175.800 -0.035 0.000 1.064 81 F CA -0.984 56.989 58.000 -0.045 0.000 0.986 81 F CB 1.583 40.559 39.000 -0.040 0.000 1.218 81 F HN -0.158 nan 8.300 nan 0.000 0.484 82 V N 2.059 122.105 119.914 0.219 0.000 2.540 82 V HA 0.405 4.527 4.120 0.003 0.000 0.302 82 V C -0.266 175.876 176.094 0.080 0.000 1.035 82 V CA -1.079 61.282 62.300 0.102 0.000 0.873 82 V CB 1.722 33.583 31.823 0.064 0.000 0.992 82 V HN 0.647 nan 8.190 nan 0.000 0.428 83 R N 3.338 123.849 120.500 0.019 0.000 2.389 83 R HA 0.606 4.948 4.340 0.003 0.000 0.295 83 R C -0.554 175.707 176.300 -0.065 0.000 1.075 83 R CA -0.098 55.980 56.100 -0.036 0.000 1.005 83 R CB 1.159 31.391 30.300 -0.114 0.000 0.987 83 R HN 0.707 nan 8.270 nan 0.000 0.452 84 V N 0.446 120.305 119.914 -0.091 0.000 3.158 84 V HA 0.622 4.744 4.120 0.003 0.000 0.311 84 V C -0.177 175.844 176.094 -0.121 0.000 1.181 84 V CA -0.916 61.336 62.300 -0.081 0.000 1.054 84 V CB 1.663 33.459 31.823 -0.046 0.000 1.085 84 V HN 0.909 nan 8.190 nan 0.000 0.446 85 S N -0.666 114.993 115.700 -0.068 0.000 2.632 85 S HA 0.304 4.775 4.470 0.003 0.000 0.267 85 S C 0.396 174.980 174.600 -0.027 0.000 1.276 85 S CA -0.101 58.076 58.200 -0.037 0.000 0.998 85 S CB 0.600 63.819 63.200 0.033 0.000 0.953 85 S HN 0.886 nan 8.310 nan 0.000 0.547 86 W N 0.491 121.800 121.300 0.015 0.000 2.338 86 W HA -0.088 4.574 4.660 0.003 0.000 0.304 86 W C 1.800 178.321 176.519 0.005 0.000 1.212 86 W CA 1.186 58.534 57.345 0.004 0.000 1.264 86 W CB -0.257 29.205 29.460 0.003 0.000 1.142 86 W HN 0.711 nan 8.180 nan 0.000 0.512 87 D N -0.459 120.092 120.400 0.251 0.000 2.117 87 D HA -0.194 4.447 4.640 0.003 0.000 0.197 87 D C 1.950 178.320 176.300 0.117 0.000 0.987 87 D CA 1.458 55.552 54.000 0.157 0.000 0.829 87 D CB -0.589 40.276 40.800 0.108 0.000 0.961 87 D HN 0.321 nan 8.370 nan 0.000 0.460 88 Q N 0.324 120.176 119.800 0.086 0.000 2.050 88 Q HA -0.049 4.293 4.340 0.003 0.000 0.202 88 Q C 2.245 178.286 176.000 0.068 0.000 0.980 88 Q CA 1.567 57.407 55.803 0.061 0.000 0.840 88 Q CB -0.149 28.609 28.738 0.034 0.000 0.898 88 Q HN 0.227 nan 8.270 nan 0.000 0.424 89 A N 0.745 123.594 122.820 0.049 0.000 1.877 89 A HA -0.161 4.161 4.320 0.003 0.000 0.216 89 A C 2.087 179.735 177.584 0.107 0.000 1.186 89 A CA 1.186 53.245 52.037 0.036 0.000 0.620 89 A CB -0.734 18.211 19.000 -0.092 0.000 0.822 89 A HN 0.294 nan 8.150 nan 0.000 0.443 90 L N -0.482 120.845 121.223 0.173 0.000 2.083 90 L HA -0.194 4.147 4.340 0.003 0.000 0.209 90 L C 2.094 179.041 176.870 0.127 0.000 1.083 90 L CA 1.392 56.335 54.840 0.171 0.000 0.752 90 L CB -0.659 41.509 42.059 0.182 0.000 0.899 90 L HN 0.298 nan 8.230 nan 0.000 0.433 91 D N -0.008 120.457 120.400 0.109 0.000 2.117 91 D HA -0.183 4.458 4.640 0.003 0.000 0.197 91 D C 2.066 178.428 176.300 0.102 0.000 0.987 91 D CA 1.111 55.166 54.000 0.092 0.000 0.829 91 D CB -0.158 40.687 40.800 0.076 0.000 0.961 91 D HN 0.135 nan 8.370 nan 0.000 0.460 92 L N 0.494 121.783 121.223 0.110 0.000 2.093 92 L HA -0.099 4.242 4.340 0.003 0.000 0.208 92 L C 2.168 179.128 176.870 0.151 0.000 1.085 92 L CA 1.189 56.109 54.840 0.134 0.000 0.755 92 L CB -0.346 41.803 42.059 0.150 0.000 0.904 92 L HN -0.138 nan 8.230 nan 0.000 0.435 93 V N 0.001 119.999 119.914 0.139 0.000 2.307 93 V HA -0.267 3.855 4.120 0.003 0.000 0.245 93 V C 2.791 178.994 176.094 0.182 0.000 1.045 93 V CA 1.597 63.990 62.300 0.155 0.000 1.024 93 V CB -1.239 30.689 31.823 0.176 0.000 0.651 93 V HN 0.596 nan 8.190 nan 0.000 0.449 94 A N 0.031 122.947 122.820 0.159 0.000 1.883 94 A HA -0.161 4.160 4.320 0.003 0.000 0.217 94 A C 2.435 180.093 177.584 0.124 0.000 1.186 94 A CA 2.232 54.352 52.037 0.137 0.000 0.624 94 A CB -0.877 18.185 19.000 0.104 0.000 0.822 94 A HN 0.582 nan 8.150 nan 0.000 0.444 95 A N -0.617 122.273 122.820 0.116 0.000 1.908 95 A HA -0.170 4.151 4.320 0.003 0.000 0.218 95 A C 1.977 179.638 177.584 0.129 0.000 1.181 95 A CA 1.763 53.864 52.037 0.107 0.000 0.627 95 A CB -0.413 18.644 19.000 0.095 0.000 0.818 95 A HN 0.482 nan 8.150 nan 0.000 0.445 96 E N -0.246 120.052 120.200 0.162 0.000 2.107 96 E HA -0.077 4.274 4.350 0.003 0.000 0.191 96 E C 2.231 178.942 176.600 0.184 0.000 0.982 96 E CA 1.129 57.643 56.400 0.189 0.000 0.809 96 E CB -0.460 29.377 29.700 0.229 0.000 0.756 96 E HN 0.400 nan 8.360 nan 0.000 0.459 97 V N 1.538 121.564 119.914 0.187 0.000 2.295 97 V HA -0.271 3.851 4.120 0.003 0.000 0.246 97 V C 2.577 178.759 176.094 0.147 0.000 1.049 97 V CA 2.157 64.569 62.300 0.187 0.000 1.024 97 V CB -0.609 31.334 31.823 0.200 0.000 0.648 97 V HN 0.187 nan 8.190 nan 0.000 0.447 98 K N 0.112 120.585 120.400 0.122 0.000 2.009 98 K HA -0.220 4.102 4.320 0.003 0.000 0.210 98 K C 2.335 178.986 176.600 0.085 0.000 1.049 98 K CA 2.056 58.399 56.287 0.092 0.000 0.929 98 K CB -0.642 31.904 32.500 0.078 0.000 0.714 98 K HN 0.600 nan 8.250 nan 0.000 0.440 99 R N -0.273 120.283 120.500 0.093 0.000 2.094 99 R HA -0.118 4.224 4.340 0.003 0.000 0.239 99 R C 2.298 178.651 176.300 0.089 0.000 1.137 99 R CA 2.259 58.405 56.100 0.078 0.000 0.943 99 R CB -0.684 29.674 30.300 0.096 0.000 0.850 99 R HN 0.313 nan 8.270 nan 0.000 0.433 100 V N 1.550 121.564 119.914 0.167 0.000 2.307 100 V HA -0.195 3.927 4.120 0.003 0.000 0.245 100 V C 2.338 178.553 176.094 0.201 0.000 1.045 100 V CA 1.879 64.338 62.300 0.265 0.000 1.024 100 V CB -0.473 31.525 31.823 0.291 0.000 0.651 100 V HN 0.395 nan 8.190 nan 0.000 0.449 101 E N 0.130 120.418 120.200 0.147 0.000 2.085 101 E HA -0.221 4.130 4.350 0.003 0.000 0.194 101 E C 2.169 178.811 176.600 0.069 0.000 0.994 101 E CA 1.341 57.809 56.400 0.113 0.000 0.801 101 E CB -0.185 29.573 29.700 0.096 0.000 0.743 101 E HN 0.688 nan 8.360 nan 0.000 0.453 102 E N -0.133 120.090 120.200 0.038 0.000 2.299 102 E HA -0.029 4.323 4.350 0.003 0.000 0.193 102 E C 1.845 178.408 176.600 -0.061 0.000 0.998 102 E CA 0.741 57.140 56.400 -0.002 0.000 0.851 102 E CB 0.088 29.787 29.700 -0.002 0.000 0.795 102 E HN 0.187 nan 8.360 nan 0.000 0.492 103 T N -0.148 114.322 114.554 -0.139 0.000 2.901 103 T HA -0.014 4.338 4.350 0.003 0.000 0.252 103 T C 1.260 175.704 174.700 -0.427 0.000 1.035 103 T CA 0.777 62.652 62.100 -0.375 0.000 1.142 103 T CB -0.112 68.369 68.868 -0.646 0.000 0.869 103 T HN 0.214 nan 8.240 nan 0.000 0.442 104 Y N 0.776 121.103 120.300 0.045 0.000 2.445 104 Y HA 0.466 5.017 4.550 0.003 0.000 0.247 104 Y C 1.552 177.478 175.900 0.043 0.000 1.129 104 Y CA -0.186 57.940 58.100 0.044 0.000 1.251 104 Y CB 0.408 38.898 38.460 0.050 0.000 1.176 104 Y HN 0.382 nan 8.280 nan 0.000 0.522 105 G N 1.551 110.440 108.800 0.149 0.000 2.782 105 G HA2 -0.233 3.728 3.960 0.003 0.000 0.228 105 G HA3 -0.233 3.728 3.960 0.003 0.000 0.228 105 G C -1.967 173.005 174.900 0.119 0.000 1.372 105 G CA -0.438 44.726 45.100 0.105 0.000 0.862 105 G HN 0.061 nan 8.290 nan 0.000 0.547 106 P HA -0.040 nan 4.420 nan 0.000 0.219 106 P C 1.240 178.586 177.300 0.077 0.000 1.146 106 P CA 1.862 65.002 63.100 0.066 0.000 0.808 106 P CB -0.069 31.633 31.700 0.004 0.000 0.779 107 E N -0.061 120.186 120.200 0.080 0.000 2.333 107 E HA -0.053 4.299 4.350 0.003 0.000 0.198 107 E C 2.251 178.911 176.600 0.100 0.000 1.007 107 E CA 1.283 57.736 56.400 0.088 0.000 0.845 107 E CB -1.318 28.432 29.700 0.082 0.000 0.766 107 E HN 0.313 nan 8.360 nan 0.000 0.507 108 G N 0.287 109.160 108.800 0.121 0.000 2.572 108 G HA2 -0.010 3.952 3.960 0.003 0.000 0.216 108 G HA3 -0.010 3.952 3.960 0.003 0.000 0.216 108 G C 0.269 175.233 174.900 0.106 0.000 1.133 108 G CA -0.022 45.135 45.100 0.094 0.000 0.791 108 G HN 0.104 nan 8.290 nan 0.000 0.538 109 V N 0.888 120.892 119.914 0.150 0.000 2.357 109 V HA 0.447 4.568 4.120 0.003 0.000 0.284 109 V C -1.144 175.072 176.094 0.204 0.000 1.018 109 V CA -1.027 61.379 62.300 0.177 0.000 0.841 109 V CB 1.361 33.293 31.823 0.181 0.000 0.991 109 V HN 0.188 nan 8.190 nan 0.000 0.437 110 F N 3.952 123.935 119.950 0.054 0.000 2.385 110 F HA 0.719 5.247 4.527 0.003 0.000 0.360 110 F C 0.805 176.587 175.800 -0.030 0.000 1.122 110 F CA -0.302 57.708 58.000 0.015 0.000 1.090 110 F CB 1.338 40.315 39.000 -0.038 0.000 1.150 110 F HN 0.517 nan 8.300 nan 0.000 0.472 111 G N 3.685 112.124 108.800 -0.601 0.000 4.828 111 G HA2 0.289 4.250 3.960 0.003 0.000 0.294 111 G HA3 0.289 4.250 3.960 0.003 0.000 0.294 111 G C 0.832 175.202 174.900 -0.883 0.000 1.288 111 G CA 0.071 44.781 45.100 -0.650 0.000 0.987 111 G HN 0.962 nan 8.290 nan 0.000 0.587 112 G N 0.087 108.076 108.800 -1.352 0.000 2.408 112 G HA2 0.058 4.020 3.960 0.003 0.000 0.215 112 G HA3 0.058 4.020 3.960 0.003 0.000 0.215 112 G C 1.145 175.699 174.900 -0.576 0.000 1.156 112 G CA 1.036 45.615 45.100 -0.869 0.000 0.793 112 G HN 1.015 nan 8.290 nan 0.000 0.535 113 S N -1.122 114.007 115.700 -0.952 0.000 3.486 113 S HA -0.282 4.190 4.470 0.003 0.000 0.371 113 S C 0.344 174.830 174.600 -0.191 0.000 1.001 113 S CA 0.245 57.788 58.200 -1.096 0.000 1.164 113 S CB -1.802 61.036 63.200 -0.603 0.000 0.911 113 S HN 0.621 nan 8.310 nan 0.000 0.472 114 Y N 0.577 120.942 120.300 0.108 0.000 2.881 114 Y HA 0.355 4.907 4.550 0.003 0.000 0.335 114 Y C 0.834 177.049 175.900 0.526 0.000 1.263 114 Y CA 1.709 60.023 58.100 0.356 0.000 1.572 114 Y CB -0.073 38.654 38.460 0.444 0.000 1.237 114 Y HN 0.524 nan 8.280 nan 0.000 0.568 115 G N 4.346 113.012 108.800 -0.223 0.000 2.411 115 G HA2 0.032 3.993 3.960 0.003 0.000 0.295 115 G HA3 0.032 3.993 3.960 0.003 0.000 0.295 115 G C -1.052 173.895 174.900 0.078 0.000 1.542 115 G CA -0.938 44.202 45.100 0.067 0.000 0.814 115 G HN 0.705 nan 8.290 nan 0.000 0.557 116 W N 1.833 123.209 121.300 0.126 0.000 2.678 116 W HA 0.121 4.783 4.660 0.003 0.000 0.256 116 W C 2.190 178.808 176.519 0.164 0.000 1.280 116 W CA 1.115 58.593 57.345 0.222 0.000 1.345 116 W CB 0.150 29.742 29.460 0.220 0.000 1.118 116 W HN 1.079 nan 8.180 nan 0.000 0.629 117 K N -0.930 119.661 120.400 0.318 0.000 2.102 117 K HA -0.330 3.992 4.320 0.003 0.000 0.126 117 K C 0.081 176.881 176.600 0.333 0.000 1.412 117 K CA 1.410 57.843 56.287 0.242 0.000 0.569 117 K CB -1.914 30.642 32.500 0.094 0.000 0.531 117 K HN -0.076 nan 8.250 nan 0.000 0.961 118 S N 1.393 117.161 115.700 0.114 0.000 2.595 118 S HA 0.601 5.072 4.470 0.003 0.000 0.281 118 S C -2.784 171.573 174.600 -0.405 0.000 1.117 118 S CA -1.063 57.065 58.200 -0.119 0.000 0.873 118 S CB 2.299 65.511 63.200 0.020 0.000 1.108 118 S HN 0.515 nan 8.310 nan 0.000 0.477 119 P HA 0.565 nan 4.420 nan 0.000 0.274 119 P C -0.303 176.843 177.300 -0.257 0.000 1.256 119 P CA 0.011 62.801 63.100 -0.517 0.000 0.795 119 P CB 0.296 31.706 31.700 -0.483 0.000 1.038 120 G N 0.112 108.795 108.800 -0.195 0.000 2.760 120 G HA2 -0.024 3.938 3.960 0.003 0.000 0.540 120 G HA3 -0.024 3.938 3.960 0.003 0.000 0.540 120 G C 0.250 175.095 174.900 -0.091 0.000 1.476 120 G CA -0.706 44.351 45.100 -0.072 0.000 0.949 120 G HN 0.276 nan 8.290 nan 0.000 0.633 121 R N 0.971 121.429 120.500 -0.069 0.000 2.153 121 R HA 0.071 4.413 4.340 0.003 0.000 0.218 121 R C 2.354 178.526 176.300 -0.213 0.000 1.072 121 R CA 1.111 57.083 56.100 -0.214 0.000 0.990 121 R CB -0.329 29.780 30.300 -0.319 0.000 0.889 121 R HN 0.564 nan 8.270 nan 0.000 0.452 122 L N 0.057 121.274 121.223 -0.010 0.000 2.185 122 L HA 0.073 4.415 4.340 0.003 0.000 0.198 122 L C 0.910 177.615 176.870 -0.275 0.000 1.079 122 L CA 1.511 56.281 54.840 -0.118 0.000 0.780 122 L CB -0.402 41.521 42.059 -0.227 0.000 0.955 122 L HN 0.089 nan 8.230 nan 0.000 0.462 123 H N 1.394 120.464 119.070 -0.001 0.000 2.768 123 H HA 0.200 4.757 4.556 0.003 0.000 0.219 123 H C -0.312 175.020 175.328 0.006 0.000 1.898 123 H CA -0.141 55.922 56.048 0.026 0.000 1.313 123 H CB -0.886 28.886 29.762 0.017 0.000 1.701 123 H HN 0.253 nan 8.280 nan 0.000 0.534 124 N N 1.912 120.627 118.700 0.025 0.000 2.645 124 N HA -0.017 4.725 4.740 0.003 0.000 0.233 124 N C 1.390 176.921 175.510 0.035 0.000 1.058 124 N CA -0.389 52.649 53.050 -0.020 0.000 0.942 124 N CB 0.072 38.494 38.487 -0.107 0.000 1.210 124 N HN 0.411 nan 8.380 nan 0.000 0.512 125 C N 1.376 120.737 119.300 0.101 0.000 2.413 125 C HA -0.123 4.338 4.460 0.003 0.000 0.276 125 C C 2.418 177.461 174.990 0.089 0.000 1.248 125 C CA 1.427 60.555 59.018 0.184 0.000 1.742 125 C CB -1.565 26.311 27.740 0.228 0.000 2.017 125 C HN 0.712 nan 8.230 nan 0.000 0.481 126 T N -1.589 112.964 114.554 -0.001 0.000 2.857 126 T HA -0.098 4.253 4.350 0.003 0.000 0.266 126 T C 1.615 176.204 174.700 -0.185 0.000 1.048 126 T CA 2.107 64.145 62.100 -0.103 0.000 1.139 126 T CB -1.158 67.659 68.868 -0.085 0.000 0.874 126 T HN 0.563 nan 8.240 nan 0.000 0.455 127 T N 2.252 116.719 114.554 -0.144 0.000 2.821 127 T HA 0.173 4.525 4.350 0.003 0.000 0.267 127 T C 1.846 176.403 174.700 -0.237 0.000 1.046 127 T CA 0.907 62.895 62.100 -0.187 0.000 1.139 127 T CB -0.459 68.310 68.868 -0.163 0.000 0.871 127 T HN 0.301 nan 8.240 nan 0.000 0.454 128 L N 0.504 121.620 121.223 -0.179 0.000 2.093 128 L HA -0.023 4.319 4.340 0.003 0.000 0.208 128 L C 2.387 178.897 176.870 -0.599 0.000 1.085 128 L CA 0.619 55.359 54.840 -0.167 0.000 0.755 128 L CB -0.548 41.630 42.059 0.199 0.000 0.904 128 L HN 0.235 nan 8.230 nan 0.000 0.435 129 L N 0.074 120.811 121.223 -0.810 0.000 2.017 129 L HA -0.197 4.145 4.340 0.003 0.000 0.208 129 L C 2.671 179.011 176.870 -0.883 0.000 1.073 129 L CA 1.774 55.839 54.840 -1.293 0.000 0.745 129 L CB -0.457 41.152 42.059 -0.749 0.000 0.894 129 L HN 0.079 nan 8.230 nan 0.000 0.432 130 R N -0.882 119.232 120.500 -0.643 0.000 2.148 130 R HA -0.106 4.236 4.340 0.003 0.000 0.223 130 R C 2.423 178.531 176.300 -0.320 0.000 1.088 130 R CA 1.160 56.890 56.100 -0.616 0.000 0.985 130 R CB -0.342 29.666 30.300 -0.486 0.000 0.880 130 R HN 0.420 nan 8.270 nan 0.000 0.451 131 R N 0.636 120.969 120.500 -0.278 0.000 2.075 131 R HA -0.079 4.262 4.340 0.003 0.000 0.232 131 R C 2.261 178.540 176.300 -0.035 0.000 1.126 131 R CA 1.209 57.215 56.100 -0.156 0.000 0.963 131 R CB -0.073 30.066 30.300 -0.269 0.000 0.858 131 R HN 0.113 nan 8.270 nan 0.000 0.435 132 M N 0.830 120.375 119.600 -0.092 0.000 2.123 132 M HA -0.104 4.378 4.480 0.003 0.000 0.263 132 M C 1.886 178.120 176.300 -0.110 0.000 1.069 132 M CA 1.622 56.873 55.300 -0.083 0.000 1.133 132 M CB -0.414 31.987 32.600 -0.331 0.000 1.356 132 M HN 0.276 nan 8.290 nan 0.000 0.415 133 L N -0.362 120.730 121.223 -0.218 0.000 2.131 133 L HA -0.186 4.155 4.340 0.003 0.000 0.210 133 L C 2.264 179.200 176.870 0.109 0.000 1.092 133 L CA 1.406 56.201 54.840 -0.075 0.000 0.759 133 L CB -1.167 40.791 42.059 -0.168 0.000 0.903 133 L HN 0.303 nan 8.230 nan 0.000 0.435 134 T N 0.432 115.063 114.554 0.128 0.000 2.708 134 T HA -0.154 4.197 4.350 0.003 0.000 0.266 134 T C 1.956 176.697 174.700 0.068 0.000 1.037 134 T CA 1.238 63.418 62.100 0.134 0.000 1.146 134 T CB -0.238 68.690 68.868 0.100 0.000 0.865 134 T HN 0.219 nan 8.240 nan 0.000 0.435 135 L N 0.652 121.910 121.223 0.058 0.000 2.191 135 L HA -0.013 4.329 4.340 0.003 0.000 0.212 135 L C 2.748 179.650 176.870 0.052 0.000 1.103 135 L CA 0.899 55.773 54.840 0.057 0.000 0.769 135 L CB -0.496 41.611 42.059 0.081 0.000 0.908 135 L HN 0.230 nan 8.230 nan 0.000 0.438 136 A N -0.901 121.951 122.820 0.054 0.000 2.208 136 A HA 0.317 4.639 4.320 0.003 0.000 0.209 136 A C 1.742 179.363 177.584 0.062 0.000 1.161 136 A CA 0.969 53.041 52.037 0.059 0.000 0.782 136 A CB -0.104 18.936 19.000 0.068 0.000 0.816 136 A HN 0.500 nan 8.150 nan 0.000 0.477 137 G N -3.337 105.497 108.800 0.057 0.000 2.485 137 G HA2 0.431 4.392 3.960 0.003 0.000 0.181 137 G HA3 0.431 4.392 3.960 0.003 0.000 0.181 137 G C 0.998 175.916 174.900 0.031 0.000 0.999 137 G CA 0.429 45.554 45.100 0.043 0.000 0.721 137 G HN 2.223 nan 8.290 nan 0.000 0.486 138 G N -0.980 107.858 108.800 0.062 0.000 2.384 138 G HA2 0.618 4.580 3.960 0.003 0.000 0.668 138 G HA3 0.618 4.580 3.960 0.003 0.000 0.668 138 G C -0.661 174.293 174.900 0.091 0.000 1.280 138 G CA 0.107 45.200 45.100 -0.011 0.000 0.992 138 G HN 2.082 nan 8.290 nan 0.000 0.512 139 Y N -3.954 116.324 120.300 -0.037 0.000 2.732 139 Y HA 0.617 5.169 4.550 0.003 0.000 0.342 139 Y C -0.376 175.490 175.900 -0.057 0.000 1.203 139 Y CA -1.351 56.719 58.100 -0.050 0.000 1.092 139 Y CB 0.438 38.827 38.460 -0.118 0.000 1.345 139 Y HN 0.951 nan 8.280 nan 0.000 0.458 140 V N 2.833 122.817 119.914 0.117 0.000 2.530 140 V HA 0.308 4.430 4.120 0.003 0.000 0.282 140 V C -0.173 175.952 176.094 0.052 0.000 1.048 140 V CA -0.176 62.179 62.300 0.091 0.000 0.997 140 V CB 0.830 32.796 31.823 0.240 0.000 0.987 140 V HN 0.760 nan 8.190 nan 0.000 0.477 141 N N 2.395 121.113 118.700 0.031 0.000 2.471 141 N HA 0.647 5.389 4.740 0.003 0.000 0.288 141 N C 0.180 175.683 175.510 -0.011 0.000 1.220 141 N CA 0.124 53.159 53.050 -0.026 0.000 0.893 141 N CB 2.207 40.759 38.487 0.109 0.000 1.256 141 N HN 0.695 nan 8.380 nan 0.000 0.534 142 G N -0.865 107.921 108.800 -0.023 0.000 2.531 142 G HA2 0.716 4.678 3.960 0.003 0.000 0.281 142 G HA3 0.716 4.678 3.960 0.003 0.000 0.281 142 G C -1.347 173.582 174.900 0.049 0.000 1.382 142 G CA -0.164 44.998 45.100 0.103 0.000 1.045 142 G HN 0.701 nan 8.290 nan 0.000 0.533 143 A N -2.406 120.432 122.820 0.030 0.000 2.577 143 A HA 0.818 5.139 4.320 0.003 0.000 0.297 143 A C 0.355 177.957 177.584 0.030 0.000 1.060 143 A CA 0.621 52.667 52.037 0.015 0.000 0.697 143 A CB 0.832 19.816 19.000 -0.027 0.000 1.281 143 A HN 2.677 nan 8.150 nan 0.000 0.402 144 G N 1.703 110.550 108.800 0.079 0.000 2.562 144 G HA2 0.281 4.243 3.960 0.003 0.000 0.250 144 G HA3 0.281 4.243 3.960 0.003 0.000 0.250 144 G C -0.336 174.645 174.900 0.135 0.000 1.269 144 G CA 1.338 46.492 45.100 0.090 0.000 0.919 144 G HN 2.454 nan 8.290 nan 0.000 0.574 145 D N -3.729 116.733 120.400 0.104 0.000 2.921 145 D HA 0.573 5.214 4.640 0.003 0.000 0.329 145 D C 0.244 176.523 176.300 -0.035 0.000 1.293 145 D CA -0.489 53.637 54.000 0.210 0.000 0.964 145 D CB 0.024 41.070 40.800 0.410 0.000 1.435 145 D HN 0.342 nan 8.370 nan 0.000 0.548 146 Y N -0.540 119.683 120.300 -0.129 0.000 2.481 146 Y HA 0.242 4.793 4.550 0.003 0.000 0.258 146 Y C 2.290 178.240 175.900 0.084 0.000 1.103 146 Y CA 0.566 58.602 58.100 -0.108 0.000 1.287 146 Y CB 0.498 38.812 38.460 -0.243 0.000 1.108 146 Y HN 0.296 nan 8.280 nan 0.000 0.529 147 S N -0.858 115.030 115.700 0.313 0.000 2.357 147 S HA -0.101 4.370 4.470 0.003 0.000 0.221 147 S C 1.395 175.980 174.600 -0.026 0.000 1.031 147 S CA 1.717 60.091 58.200 0.290 0.000 0.982 147 S CB -0.497 62.908 63.200 0.341 0.000 0.853 147 S HN 0.486 nan 8.310 nan 0.000 0.458 148 T N -1.282 113.129 114.554 -0.238 0.000 3.697 148 T HA 0.484 4.835 4.350 0.003 0.000 0.260 148 T C 1.258 175.817 174.700 -0.236 0.000 0.998 148 T CA 0.116 61.920 62.100 -0.493 0.000 1.128 148 T CB 0.460 68.724 68.868 -1.006 0.000 1.082 148 T HN 0.187 nan 8.240 nan 0.000 0.541 149 G N 1.782 110.520 108.800 -0.103 0.000 2.513 149 G HA2 -0.113 3.849 3.960 0.003 0.000 0.219 149 G HA3 -0.113 3.849 3.960 0.003 0.000 0.219 149 G C 1.508 176.385 174.900 -0.039 0.000 1.160 149 G CA 0.989 46.047 45.100 -0.071 0.000 0.767 149 G HN 0.836 nan 8.290 nan 0.000 0.571 150 A N 0.377 123.177 122.820 -0.032 0.000 1.956 150 A HA 0.607 4.928 4.320 0.003 0.000 0.212 150 A C 2.727 180.289 177.584 -0.037 0.000 1.188 150 A CA 1.534 53.572 52.037 0.000 0.000 0.675 150 A CB -0.527 18.500 19.000 0.046 0.000 0.845 150 A HN 0.742 nan 8.150 nan 0.000 0.455 151 A N 0.781 123.549 122.820 -0.088 0.000 1.902 151 A HA -0.209 4.113 4.320 0.003 0.000 0.217 151 A C 2.161 179.607 177.584 -0.230 0.000 1.181 151 A CA 1.680 53.626 52.037 -0.151 0.000 0.623 151 A CB -0.685 18.120 19.000 -0.324 0.000 0.818 151 A HN 0.741 nan 8.150 nan 0.000 0.443 152 Q N -0.655 118.979 119.800 -0.277 0.000 2.436 152 Q HA 0.018 4.359 4.340 0.003 0.000 0.209 152 Q C 1.281 177.190 176.000 -0.151 0.000 0.965 152 Q CA 1.481 57.136 55.803 -0.247 0.000 0.910 152 Q CB -0.219 28.380 28.738 -0.232 0.000 0.980 152 Q HN 0.369 nan 8.270 nan 0.000 0.491 153 V N 0.194 120.041 119.914 -0.112 0.000 2.795 153 V HA -0.080 4.042 4.120 0.003 0.000 0.243 153 V C 1.898 177.925 176.094 -0.112 0.000 1.069 153 V CA 0.571 62.809 62.300 -0.103 0.000 1.089 153 V CB 0.051 31.840 31.823 -0.057 0.000 0.756 153 V HN 0.288 nan 8.190 nan 0.000 0.471 154 I N -0.321 120.188 120.570 -0.103 0.000 2.406 154 I HA -0.108 4.063 4.170 0.003 0.000 0.249 154 I C 2.242 178.219 176.117 -0.234 0.000 1.122 154 I CA 1.588 62.795 61.300 -0.155 0.000 1.431 154 I CB -0.219 37.679 38.000 -0.170 0.000 1.087 154 I HN 0.101 nan 8.210 nan 0.000 0.424 155 M N 0.737 120.223 119.600 -0.191 0.000 2.065 155 M HA -0.129 4.353 4.480 0.003 0.000 0.259 155 M C -0.029 176.163 176.300 -0.180 0.000 1.069 155 M CA 2.083 57.283 55.300 -0.167 0.000 1.110 155 M CB -2.659 29.873 32.600 -0.112 0.000 1.328 155 M HN 0.087 nan 8.290 nan 0.000 0.405 156 P HA -0.188 nan 4.420 nan 0.000 0.218 156 P C 1.376 178.488 177.300 -0.313 0.000 1.152 156 P CA 1.465 64.405 63.100 -0.265 0.000 0.857 156 P CB -0.358 31.121 31.700 -0.368 0.000 0.787 157 H N -1.959 116.968 119.070 -0.237 0.000 2.502 157 H HA 0.063 4.620 4.556 0.003 0.000 0.283 157 H C 1.753 176.906 175.328 -0.292 0.000 1.015 157 H CA 0.953 56.837 56.048 -0.274 0.000 1.298 157 H CB -0.210 29.317 29.762 -0.391 0.000 1.411 157 H HN 0.068 nan 8.280 nan 0.000 0.556 158 V N 0.349 120.130 119.914 -0.221 0.000 2.581 158 V HA -0.070 4.052 4.120 0.003 0.000 0.240 158 V C 2.302 178.350 176.094 -0.077 0.000 1.054 158 V CA 1.139 63.315 62.300 -0.206 0.000 1.076 158 V CB 0.104 31.709 31.823 -0.364 0.000 0.748 158 V HN 0.319 nan 8.190 nan 0.000 0.474 159 V N -2.295 117.581 119.914 -0.064 0.000 3.528 159 V HA 0.673 4.794 4.120 0.003 0.000 0.294 159 V C 1.413 177.497 176.094 -0.017 0.000 1.404 159 V CA 0.741 63.034 62.300 -0.011 0.000 1.065 159 V CB -0.110 31.778 31.823 0.108 0.000 0.904 159 V HN 0.719 nan 8.190 nan 0.000 0.435 160 G N 0.949 109.715 108.800 -0.056 0.000 2.176 160 G HA2 -0.217 3.745 3.960 0.003 0.000 0.253 160 G HA3 -0.217 3.745 3.960 0.003 0.000 0.253 160 G C 0.218 175.082 174.900 -0.060 0.000 0.979 160 G CA 0.592 45.653 45.100 -0.064 0.000 0.641 160 G HN 1.087 nan 8.290 nan 0.000 0.530 161 T N -1.768 112.759 114.554 -0.044 0.000 2.865 161 T HA 0.637 4.989 4.350 0.003 0.000 0.294 161 T C 1.010 175.675 174.700 -0.058 0.000 1.119 161 T CA -0.136 61.938 62.100 -0.043 0.000 1.007 161 T CB 1.716 70.576 68.868 -0.014 0.000 1.225 161 T HN 0.562 nan 8.240 nan 0.000 0.515 162 L N 0.956 122.146 121.223 -0.055 0.000 2.046 162 L HA 0.003 4.345 4.340 0.003 0.000 0.208 162 L C 2.004 178.822 176.870 -0.086 0.000 1.077 162 L CA 2.776 57.570 54.840 -0.076 0.000 0.747 162 L CB -1.028 41.010 42.059 -0.034 0.000 0.896 162 L HN 1.092 nan 8.230 nan 0.000 0.432 163 E N -1.816 118.367 120.200 -0.028 0.000 4.807 163 E HA -0.333 4.018 4.350 0.003 0.000 0.171 163 E C 1.579 178.164 176.600 -0.025 0.000 1.266 163 E CA 2.475 58.884 56.400 0.014 0.000 2.327 163 E CB -1.740 28.015 29.700 0.092 0.000 1.829 163 E HN 0.400 nan 8.360 nan 0.000 0.414 164 V N -1.432 118.369 119.914 -0.188 0.000 2.626 164 V HA -0.028 4.093 4.120 0.003 0.000 0.252 164 V C 1.563 177.553 176.094 -0.172 0.000 1.067 164 V CA 2.084 64.210 62.300 -0.290 0.000 1.081 164 V CB -0.679 30.653 31.823 -0.818 0.000 0.686 164 V HN 0.354 nan 8.190 nan 0.000 0.468 165 Y N 1.274 121.628 120.300 0.090 0.000 2.781 165 Y HA 0.636 5.188 4.550 0.003 0.000 0.326 165 Y C 0.454 176.521 175.900 0.277 0.000 1.019 165 Y CA -1.406 56.817 58.100 0.205 0.000 1.372 165 Y CB -0.371 38.107 38.460 0.029 0.000 1.260 165 Y HN 0.469 nan 8.280 nan 0.000 0.546 166 E N -0.272 120.142 120.200 0.356 0.000 2.336 166 E HA 0.330 4.682 4.350 0.003 0.000 0.267 166 E C -1.008 175.661 176.600 0.115 0.000 0.906 166 E CA -1.537 55.017 56.400 0.257 0.000 0.781 166 E CB 1.616 31.360 29.700 0.073 0.000 1.261 166 E HN -0.029 nan 8.360 nan 0.000 0.436 167 Q N 1.991 121.824 119.800 0.054 0.000 2.315 167 Q HA -0.059 4.283 4.340 0.003 0.000 0.289 167 Q C -0.708 175.204 176.000 -0.147 0.000 1.044 167 Q CA 0.618 56.320 55.803 -0.167 0.000 0.920 167 Q CB 0.510 29.101 28.738 -0.245 0.000 1.214 167 Q HN 0.230 nan 8.270 nan 0.000 0.392 168 Q N 2.098 121.728 119.800 -0.283 0.000 2.199 168 Q HA 0.302 4.643 4.340 0.003 0.000 0.232 168 Q C -0.291 175.736 176.000 0.046 0.000 0.969 168 Q CA -0.456 55.173 55.803 -0.290 0.000 0.925 168 Q CB 0.580 28.777 28.738 -0.902 0.000 1.198 168 Q HN 0.706 nan 8.270 nan 0.000 0.494 169 T N 1.443 115.989 114.554 -0.013 0.000 2.933 169 T HA 0.171 4.522 4.350 0.003 0.000 0.306 169 T C 0.139 174.893 174.700 0.091 0.000 1.045 169 T CA 0.039 62.144 62.100 0.007 0.000 1.143 169 T CB 0.223 69.057 68.868 -0.057 0.000 1.003 169 T HN 0.599 nan 8.240 nan 0.000 0.540 170 A N 2.852 125.756 122.820 0.139 0.000 2.445 170 A HA 0.220 4.541 4.320 0.003 0.000 0.242 170 A C 0.982 178.658 177.584 0.154 0.000 1.075 170 A CA -0.452 51.677 52.037 0.154 0.000 0.777 170 A CB -0.010 19.113 19.000 0.205 0.000 1.013 170 A HN 1.112 nan 8.150 nan 0.000 0.493 171 W N 1.545 122.954 121.300 0.181 0.000 2.304 171 W HA -0.180 4.481 4.660 0.002 0.000 0.315 171 W C -0.555 176.016 176.519 0.086 0.000 1.233 171 W CA 2.138 59.557 57.345 0.125 0.000 1.261 171 W CB -0.947 28.591 29.460 0.130 0.000 1.150 171 W HN 0.616 nan 8.180 nan 0.000 0.494 172 P HA -0.154 nan 4.420 nan 0.000 0.217 172 P C 1.522 178.912 177.300 0.150 0.000 1.150 172 P CA 1.657 64.881 63.100 0.206 0.000 0.832 172 P CB -0.358 31.444 31.700 0.170 0.000 0.787 173 V N 0.324 120.316 119.914 0.129 0.000 2.332 173 V HA -0.235 3.886 4.120 0.003 0.000 0.248 173 V C 2.677 178.806 176.094 0.059 0.000 1.055 173 V CA 1.653 63.998 62.300 0.074 0.000 1.038 173 V CB -1.367 30.481 31.823 0.041 0.000 0.651 173 V HN 0.034 nan 8.190 nan 0.000 0.450 174 L N 0.270 121.533 121.223 0.068 0.000 2.083 174 L HA -0.122 4.220 4.340 0.003 0.000 0.209 174 L C 2.722 179.640 176.870 0.079 0.000 1.083 174 L CA 1.534 56.395 54.840 0.036 0.000 0.752 174 L CB -0.922 41.130 42.059 -0.011 0.000 0.899 174 L HN 0.357 nan 8.230 nan 0.000 0.433 175 A N -0.038 122.865 122.820 0.137 0.000 2.015 175 A HA -0.168 4.154 4.320 0.003 0.000 0.219 175 A C 2.098 179.730 177.584 0.081 0.000 1.163 175 A CA 1.433 53.544 52.037 0.123 0.000 0.646 175 A CB -0.274 18.812 19.000 0.144 0.000 0.806 175 A HN 0.490 nan 8.150 nan 0.000 0.448 176 E N -0.977 119.265 120.200 0.070 0.000 2.415 176 E HA 0.044 4.395 4.350 0.003 0.000 0.197 176 E C 0.913 177.533 176.600 0.033 0.000 1.007 176 E CA 0.229 56.660 56.400 0.050 0.000 0.890 176 E CB 0.134 29.863 29.700 0.049 0.000 0.891 176 E HN 0.601 nan 8.360 nan 0.000 0.496 177 N N 0.006 118.721 118.700 0.024 0.000 2.445 177 N HA 0.026 4.767 4.740 0.003 0.000 0.204 177 N C 0.056 175.563 175.510 -0.006 0.000 1.098 177 N CA 0.297 53.351 53.050 0.007 0.000 0.859 177 N CB 0.906 39.392 38.487 -0.002 0.000 1.249 177 N HN -0.085 nan 8.380 nan 0.000 0.462 178 T N 1.530 116.076 114.554 -0.014 0.000 2.870 178 T HA 0.129 4.480 4.350 0.003 0.000 0.300 178 T C 1.085 175.770 174.700 -0.024 0.000 0.989 178 T CA 0.325 62.403 62.100 -0.037 0.000 1.139 178 T CB 1.673 70.500 68.868 -0.069 0.000 0.920 178 T HN 0.120 nan 8.240 nan 0.000 0.537 179 E N 1.240 121.424 120.200 -0.026 0.000 2.340 179 E HA 0.147 4.499 4.350 0.003 0.000 0.198 179 E C -0.145 176.443 176.600 -0.020 0.000 0.961 179 E CA 0.230 56.623 56.400 -0.012 0.000 0.905 179 E CB 0.686 30.388 29.700 0.002 0.000 0.884 179 E HN 0.266 nan 8.360 nan 0.000 0.491 180 V N 2.243 122.132 119.914 -0.042 0.000 2.488 180 V HA 0.255 4.376 4.120 0.003 0.000 0.293 180 V C -0.945 175.060 176.094 -0.147 0.000 1.027 180 V CA -0.644 61.625 62.300 -0.052 0.000 0.862 180 V CB 1.528 33.368 31.823 0.028 0.000 1.008 180 V HN 0.113 nan 8.190 nan 0.000 0.428 181 M N 6.662 126.135 119.600 -0.213 0.000 2.129 181 M HA 0.604 5.085 4.480 0.003 0.000 0.348 181 M C -1.024 175.005 176.300 -0.453 0.000 1.116 181 M CA -0.105 54.965 55.300 -0.383 0.000 1.022 181 M CB 1.364 33.697 32.600 -0.445 0.000 1.599 181 M HN 0.364 nan 8.290 nan 0.000 0.449 182 V N 6.891 126.526 119.914 -0.465 0.000 2.357 182 V HA 0.407 4.528 4.120 0.003 0.000 0.284 182 V C -0.867 175.023 176.094 -0.339 0.000 1.018 182 V CA -0.406 61.706 62.300 -0.313 0.000 0.841 182 V CB 0.792 32.480 31.823 -0.225 0.000 0.991 182 V HN 0.682 nan 8.190 nan 0.000 0.437 183 F N 4.431 124.408 119.950 0.045 0.000 2.335 183 F HA 0.302 4.830 4.527 0.003 0.000 0.365 183 F C 0.127 176.020 175.800 0.156 0.000 1.122 183 F CA -0.223 57.844 58.000 0.112 0.000 1.151 183 F CB 0.696 39.757 39.000 0.102 0.000 1.282 183 F HN 0.518 nan 8.300 nan 0.000 0.513 184 W N 4.866 126.271 121.300 0.176 0.000 2.311 184 W HA 0.475 5.136 4.660 0.003 0.000 0.317 184 W C 0.280 176.876 176.519 0.128 0.000 1.065 184 W CA -1.096 56.333 57.345 0.139 0.000 1.364 184 W CB 0.920 30.440 29.460 0.101 0.000 1.233 184 W HN 0.727 nan 8.180 nan 0.000 0.409 185 A N 4.052 127.124 122.820 0.421 0.000 2.869 185 A HA 0.048 4.370 4.320 0.003 0.000 0.280 185 A C -0.041 177.634 177.584 0.151 0.000 1.458 185 A CA 1.380 53.595 52.037 0.296 0.000 0.776 185 A CB -1.800 17.401 19.000 0.334 0.000 1.028 185 A HN 1.425 nan 8.150 nan 0.000 0.547 186 A N -0.582 122.325 122.820 0.146 0.000 2.414 186 A HA 0.695 5.016 4.320 0.003 0.000 0.306 186 A C -0.446 177.164 177.584 0.042 0.000 1.054 186 A CA 0.303 52.351 52.037 0.018 0.000 0.724 186 A CB 1.219 20.276 19.000 0.096 0.000 1.267 186 A HN 0.927 nan 8.150 nan 0.000 0.418 187 D N 2.906 123.301 120.400 -0.009 0.000 2.513 187 D HA 0.316 4.957 4.640 0.003 0.000 0.295 187 D C -1.764 174.503 176.300 -0.055 0.000 1.202 187 D CA -1.660 52.331 54.000 -0.015 0.000 0.849 187 D CB 1.193 42.028 40.800 0.058 0.000 1.116 187 D HN 0.160 nan 8.370 nan 0.000 0.502 188 P HA -0.126 nan 4.420 nan 0.000 0.218 188 P C 1.852 179.020 177.300 -0.220 0.000 1.148 188 P CA 0.631 63.657 63.100 -0.123 0.000 0.822 188 P CB 0.697 32.299 31.700 -0.164 0.000 0.784 189 I N 0.140 120.584 120.570 -0.210 0.000 2.208 189 I HA -0.253 3.918 4.170 0.003 0.000 0.245 189 I C 2.809 178.891 176.117 -0.058 0.000 1.097 189 I CA 1.688 62.918 61.300 -0.117 0.000 1.363 189 I CB -0.472 37.513 38.000 -0.024 0.000 1.051 189 I HN -0.033 nan 8.210 nan 0.000 0.413 190 K N 0.554 120.868 120.400 -0.143 0.000 2.007 190 K HA -0.160 4.162 4.320 0.003 0.000 0.206 190 K C 2.012 178.426 176.600 -0.310 0.000 1.047 190 K CA 1.987 57.992 56.287 -0.470 0.000 0.937 190 K CB -0.094 32.232 32.500 -0.289 0.000 0.718 190 K HN 0.395 nan 8.250 nan 0.000 0.438 191 T N -2.006 112.472 114.554 -0.126 0.000 3.113 191 T HA 0.094 4.446 4.350 0.003 0.000 0.256 191 T C 1.460 176.161 174.700 0.002 0.000 1.131 191 T CA 0.516 62.588 62.100 -0.046 0.000 1.074 191 T CB 0.259 69.157 68.868 0.050 0.000 0.944 191 T HN -0.022 nan 8.240 nan 0.000 0.516 192 S N 1.503 117.202 115.700 -0.002 0.000 2.631 192 S HA 0.117 4.589 4.470 0.003 0.000 0.217 192 S C 1.730 176.521 174.600 0.318 0.000 0.958 192 S CA -0.185 58.054 58.200 0.065 0.000 0.920 192 S CB -0.194 62.875 63.200 -0.219 0.000 0.776 192 S HN 0.597 nan 8.310 nan 0.000 0.517 193 Q N 0.537 120.487 119.800 0.251 0.000 2.297 193 Q HA 0.043 4.385 4.340 0.003 0.000 0.204 193 Q C 0.456 176.699 176.000 0.405 0.000 0.962 193 Q CA 0.643 56.628 55.803 0.304 0.000 0.879 193 Q CB -0.143 28.677 28.738 0.136 0.000 0.947 193 Q HN 0.692 nan 8.270 nan 0.000 0.462 194 I N -4.337 116.337 120.570 0.174 0.000 3.067 194 I HA 0.787 4.958 4.170 0.003 0.000 0.312 194 I C -0.091 176.064 176.117 0.065 0.000 1.073 194 I CA -1.063 60.260 61.300 0.038 0.000 1.016 194 I CB 1.995 39.853 38.000 -0.237 0.000 1.227 194 I HN -0.178 nan 8.210 nan 0.000 0.456 195 G N 0.911 109.781 108.800 0.117 0.000 2.619 195 G HA2 0.250 4.212 3.960 0.003 0.000 0.296 195 G HA3 0.250 4.212 3.960 0.003 0.000 0.296 195 G C -0.646 174.506 174.900 0.421 0.000 1.334 195 G CA -0.651 44.544 45.100 0.157 0.000 0.934 195 G HN 0.977 nan 8.290 nan 0.000 0.476 196 W N 1.398 122.774 121.300 0.128 0.000 2.378 196 W HA -0.025 4.637 4.660 0.002 0.000 0.313 196 W C 0.954 177.488 176.519 0.025 0.000 1.197 196 W CA 2.025 59.328 57.345 -0.070 0.000 1.304 196 W CB -0.017 29.296 29.460 -0.245 0.000 1.148 196 W HN 0.443 nan 8.180 nan 0.000 0.494 197 V N 0.301 120.215 119.914 0.000 0.000 3.613 197 V HA 0.266 4.388 4.120 0.003 0.000 0.283 197 V C 0.703 176.773 176.094 -0.041 0.000 1.052 197 V CA -1.165 61.066 62.300 -0.116 0.000 0.937 197 V CB -0.220 31.567 31.823 -0.060 0.000 1.241 197 V HN -0.069 nan 8.190 nan 0.000 0.429 198 I N 2.590 123.130 120.570 -0.050 0.000 2.618 198 I HA 0.291 4.463 4.170 0.003 0.000 0.284 198 I C -2.081 174.034 176.117 -0.005 0.000 1.146 198 I CA -2.317 58.971 61.300 -0.020 0.000 1.425 198 I CB -0.347 37.622 38.000 -0.051 0.000 1.383 198 I HN 0.590 nan 8.210 nan 0.000 0.562 199 P HA 0.157 nan 4.420 nan 0.000 0.277 199 P C 0.069 177.284 177.300 -0.141 0.000 1.240 199 P CA -0.191 62.852 63.100 -0.095 0.000 0.798 199 P CB 1.072 32.658 31.700 -0.189 0.000 0.979 200 E N 1.263 121.439 120.200 -0.040 0.000 2.498 200 E HA -0.045 4.306 4.350 0.003 0.000 0.203 200 E C -0.159 176.519 176.600 0.131 0.000 1.013 200 E CA -0.144 56.307 56.400 0.085 0.000 0.927 200 E CB -1.106 28.704 29.700 0.183 0.000 1.012 200 E HN 0.605 nan 8.360 nan 0.000 0.482 201 H N -0.351 118.871 119.070 0.253 0.000 2.770 201 H HA -0.137 4.421 4.556 0.003 0.000 0.309 201 H C 1.174 176.656 175.328 0.257 0.000 1.206 201 H CA 0.013 56.251 56.048 0.315 0.000 1.147 201 H CB -1.571 28.399 29.762 0.346 0.000 1.422 201 H HN 0.439 nan 8.280 nan 0.000 0.420 202 G N -0.068 108.888 108.800 0.259 0.000 2.534 202 G HA2 0.003 3.965 3.960 0.003 0.000 0.217 202 G HA3 0.003 3.965 3.960 0.003 0.000 0.217 202 G C 1.686 176.579 174.900 -0.011 0.000 1.128 202 G CA 0.544 45.746 45.100 0.169 0.000 0.784 202 G HN 0.611 nan 8.290 nan 0.000 0.542 203 A N 0.228 123.016 122.820 -0.053 0.000 1.969 203 A HA 0.066 4.387 4.320 0.003 0.000 0.218 203 A C 2.055 179.198 177.584 -0.735 0.000 1.169 203 A CA 1.109 52.892 52.037 -0.423 0.000 0.635 203 A CB -0.480 18.338 19.000 -0.304 0.000 0.810 203 A HN 0.427 nan 8.150 nan 0.000 0.445 204 Y N 0.398 120.483 120.300 -0.359 0.000 2.163 204 Y HA -0.101 4.451 4.550 0.003 0.000 0.288 204 Y C -0.052 175.625 175.900 -0.371 0.000 1.136 204 Y CA 1.827 59.650 58.100 -0.462 0.000 1.147 204 Y CB -1.452 36.674 38.460 -0.558 0.000 0.987 204 Y HN 0.303 nan 8.280 nan 0.000 0.509 205 P HA -0.113 nan 4.420 nan 0.000 0.217 205 P C 1.771 178.929 177.300 -0.236 0.000 1.150 205 P CA 2.079 65.113 63.100 -0.109 0.000 0.832 205 P CB -0.299 31.378 31.700 -0.039 0.000 0.787 206 G N 0.313 108.776 108.800 -0.560 0.000 2.418 206 G HA2 -0.209 3.753 3.960 0.003 0.000 0.217 206 G HA3 -0.209 3.753 3.960 0.003 0.000 0.217 206 G C 1.614 176.088 174.900 -0.710 0.000 1.158 206 G CA 0.557 45.097 45.100 -0.933 0.000 0.771 206 G HN 0.229 nan 8.290 nan 0.000 0.545 207 L N 0.020 120.829 121.223 -0.689 0.000 2.072 207 L HA 0.000 4.342 4.340 0.003 0.000 0.205 207 L C 2.887 179.869 176.870 0.187 0.000 1.079 207 L CA 1.137 55.895 54.840 -0.137 0.000 0.752 207 L CB -0.389 41.475 42.059 -0.325 0.000 0.906 207 L HN 0.278 nan 8.230 nan 0.000 0.436 208 E N 0.260 120.495 120.200 0.058 0.000 2.150 208 E HA -0.180 4.171 4.350 0.003 0.000 0.193 208 E C 2.270 178.972 176.600 0.170 0.000 0.985 208 E CA 1.040 57.576 56.400 0.226 0.000 0.814 208 E CB -0.161 29.627 29.700 0.147 0.000 0.752 208 E HN 0.489 nan 8.360 nan 0.000 0.466 209 A N 1.169 124.051 122.820 0.103 0.000 1.930 209 A HA -0.110 4.212 4.320 0.003 0.000 0.217 209 A C 2.168 179.852 177.584 0.167 0.000 1.175 209 A CA 0.824 52.930 52.037 0.115 0.000 0.627 209 A CB -0.487 18.570 19.000 0.095 0.000 0.815 209 A HN 0.118 nan 8.150 nan 0.000 0.443 210 L N -0.574 120.792 121.223 0.238 0.000 2.046 210 L HA -0.193 4.148 4.340 0.003 0.000 0.208 210 L C 2.626 179.667 176.870 0.286 0.000 1.077 210 L CA 1.965 56.963 54.840 0.263 0.000 0.747 210 L CB -0.518 41.733 42.059 0.319 0.000 0.896 210 L HN 0.469 nan 8.230 nan 0.000 0.432 211 K N 0.674 121.318 120.400 0.407 0.000 2.057 211 K HA -0.165 4.157 4.320 0.003 0.000 0.207 211 K C 2.138 178.813 176.600 0.124 0.000 1.049 211 K CA 1.308 57.761 56.287 0.277 0.000 0.931 211 K CB -0.067 32.467 32.500 0.057 0.000 0.714 211 K HN 0.249 nan 8.250 nan 0.000 0.440 212 A N 1.348 124.236 122.820 0.113 0.000 2.019 212 A HA -0.107 4.214 4.320 0.003 0.000 0.219 212 A C 1.756 179.382 177.584 0.070 0.000 1.164 212 A CA 1.233 53.314 52.037 0.073 0.000 0.644 212 A CB -0.218 18.825 19.000 0.071 0.000 0.805 212 A HN 0.191 nan 8.150 nan 0.000 0.449 213 K N -1.270 119.182 120.400 0.086 0.000 2.432 213 K HA 0.057 4.379 4.320 0.003 0.000 0.196 213 K C 1.142 177.778 176.600 0.060 0.000 1.038 213 K CA 0.739 57.068 56.287 0.069 0.000 0.986 213 K CB -0.251 32.294 32.500 0.074 0.000 0.782 213 K HN 0.750 nan 8.250 nan 0.000 0.485 214 G N 2.303 111.144 108.800 0.068 0.000 2.176 214 G HA2 -0.245 3.716 3.960 0.003 0.000 0.252 214 G HA3 -0.245 3.716 3.960 0.003 0.000 0.252 214 G C 0.197 175.124 174.900 0.045 0.000 1.024 214 G CA 0.550 45.682 45.100 0.055 0.000 0.755 214 G HN 0.242 nan 8.290 nan 0.000 0.507 215 T N 0.113 114.697 114.554 0.049 0.000 2.937 215 T HA 0.322 4.674 4.350 0.003 0.000 0.316 215 T C 0.817 175.512 174.700 -0.009 0.000 1.079 215 T CA 0.796 62.906 62.100 0.015 0.000 1.131 215 T CB 0.921 69.796 68.868 0.013 0.000 1.000 215 T HN 0.614 nan 8.240 nan 0.000 0.549 216 K N 2.698 123.088 120.400 -0.018 0.000 2.379 216 K HA 0.300 4.622 4.320 0.003 0.000 0.284 216 K C -1.198 175.358 176.600 -0.074 0.000 1.044 216 K CA -0.171 56.103 56.287 -0.020 0.000 0.974 216 K CB 0.180 32.682 32.500 0.004 0.000 0.962 216 K HN 0.287 nan 8.250 nan 0.000 0.474 217 V N 6.740 126.602 119.914 -0.088 0.000 2.487 217 V HA 0.487 4.609 4.120 0.003 0.000 0.298 217 V C -0.275 175.798 176.094 -0.034 0.000 1.028 217 V CA -0.763 61.440 62.300 -0.161 0.000 0.860 217 V CB 1.336 32.907 31.823 -0.421 0.000 0.991 217 V HN 0.712 nan 8.190 nan 0.000 0.427 218 I N 4.482 125.044 120.570 -0.014 0.000 2.509 218 I HA 0.573 4.744 4.170 0.003 0.000 0.293 218 I C -0.843 175.328 176.117 0.090 0.000 1.020 218 I CA -0.861 60.470 61.300 0.050 0.000 1.088 218 I CB 2.348 40.387 38.000 0.066 0.000 1.267 218 I HN 0.265 nan 8.210 nan 0.000 0.430 219 V N 7.082 127.072 119.914 0.126 0.000 2.444 219 V HA 0.448 4.569 4.120 0.003 0.000 0.294 219 V C -0.135 176.030 176.094 0.119 0.000 1.022 219 V CA -0.444 61.954 62.300 0.163 0.000 0.850 219 V CB 1.958 33.876 31.823 0.158 0.000 0.992 219 V HN 0.461 nan 8.190 nan 0.000 0.426 220 I N 4.844 125.413 120.570 -0.001 0.000 2.337 220 I HA 0.552 4.723 4.170 0.003 0.000 0.285 220 I C -0.742 175.392 176.117 0.028 0.000 1.041 220 I CA 0.142 61.358 61.300 -0.139 0.000 1.199 220 I CB 0.977 38.554 38.000 -0.704 0.000 1.370 220 I HN 0.566 nan 8.210 nan 0.000 0.470 221 D N 8.463 128.949 120.400 0.143 0.000 2.787 221 D HA 0.160 4.801 4.640 0.003 0.000 0.215 221 D C -2.370 174.076 176.300 0.244 0.000 1.246 221 D CA -1.123 52.997 54.000 0.201 0.000 0.798 221 D CB 3.209 44.139 40.800 0.217 0.000 1.649 221 D HN 0.081 nan 8.370 nan 0.000 0.507 222 P HA -0.013 nan 4.420 nan 0.000 0.226 222 P C 0.442 177.855 177.300 0.190 0.000 1.153 222 P CA 0.347 63.522 63.100 0.124 0.000 0.777 222 P CB 0.626 32.378 31.700 0.087 0.000 0.794 223 V N 0.814 120.875 119.914 0.245 0.000 2.628 223 V HA 0.317 4.439 4.120 0.003 0.000 0.306 223 V C 0.768 177.001 176.094 0.233 0.000 1.045 223 V CA -1.047 61.389 62.300 0.227 0.000 0.905 223 V CB 2.235 34.163 31.823 0.174 0.000 0.997 223 V HN -0.130 nan 8.190 nan 0.000 0.436 224 R N 2.848 123.473 120.500 0.208 0.000 2.612 224 R HA 0.242 4.583 4.340 0.003 0.000 0.273 224 R C 0.478 176.779 176.300 0.002 0.000 1.376 224 R CA -0.124 55.981 56.100 0.009 0.000 1.171 224 R CB -0.039 30.330 30.300 0.114 0.000 1.151 224 R HN 0.992 nan 8.270 nan 0.000 0.560 225 T N -0.223 114.321 114.554 -0.017 0.000 2.770 225 T HA 0.154 4.506 4.350 0.003 0.000 0.281 225 T C 1.149 175.898 174.700 0.081 0.000 0.981 225 T CA -0.703 61.443 62.100 0.077 0.000 0.955 225 T CB 1.007 69.937 68.868 0.103 0.000 1.060 225 T HN 0.360 nan 8.240 nan 0.000 0.531 226 K N 0.163 120.654 120.400 0.152 0.000 2.211 226 K HA -0.060 4.261 4.320 0.003 0.000 0.203 226 K C 2.392 179.073 176.600 0.135 0.000 1.050 226 K CA 1.145 57.523 56.287 0.153 0.000 0.945 226 K CB -0.878 31.764 32.500 0.237 0.000 0.732 226 K HN 0.658 nan 8.250 nan 0.000 0.451 227 T N 1.614 116.229 114.554 0.101 0.000 2.746 227 T HA -0.100 4.251 4.350 0.003 0.000 0.267 227 T C 2.160 176.986 174.700 0.210 0.000 1.039 227 T CA 1.260 63.419 62.100 0.098 0.000 1.142 227 T CB -0.219 68.635 68.868 -0.023 0.000 0.866 227 T HN -0.068 nan 8.240 nan 0.000 0.444 228 V N 1.192 121.168 119.914 0.103 0.000 2.295 228 V HA -0.186 3.935 4.120 0.003 0.000 0.246 228 V C 2.501 178.668 176.094 0.121 0.000 1.049 228 V CA 1.805 64.149 62.300 0.073 0.000 1.024 228 V CB -0.608 31.116 31.823 -0.165 0.000 0.648 228 V HN 0.474 nan 8.190 nan 0.000 0.447 229 E N -0.653 119.602 120.200 0.091 0.000 2.085 229 E HA -0.243 4.109 4.350 0.003 0.000 0.194 229 E C 1.961 178.613 176.600 0.087 0.000 0.994 229 E CA 1.618 58.068 56.400 0.084 0.000 0.801 229 E CB -0.261 29.483 29.700 0.073 0.000 0.743 229 E HN 0.582 nan 8.360 nan 0.000 0.453 230 F N -0.131 119.788 119.950 -0.052 0.000 2.095 230 F HA -0.199 4.329 4.527 0.003 0.000 0.298 230 F C 1.509 177.186 175.800 -0.205 0.000 1.104 230 F CA 1.553 59.444 58.000 -0.183 0.000 1.232 230 F CB -0.225 38.556 39.000 -0.365 0.000 0.987 230 F HN -0.011 nan 8.300 nan 0.000 0.475 231 F N 0.196 120.120 119.950 -0.044 0.000 2.743 231 F HA 0.258 4.787 4.527 0.003 0.000 0.297 231 F C 1.786 177.541 175.800 -0.074 0.000 1.131 231 F CA 0.480 58.404 58.000 -0.125 0.000 1.426 231 F CB -0.443 38.605 39.000 0.080 0.000 1.116 231 F HN 0.093 nan 8.300 nan 0.000 0.583 232 G N 1.612 110.480 108.800 0.114 0.000 2.338 232 G HA2 -0.165 3.796 3.960 0.003 0.000 0.296 232 G HA3 -0.165 3.796 3.960 0.003 0.000 0.296 232 G C 0.263 175.240 174.900 0.127 0.000 1.040 232 G CA -0.049 45.103 45.100 0.088 0.000 1.004 232 G HN 0.616 nan 8.290 nan 0.000 0.509 233 A N -0.499 122.426 122.820 0.176 0.000 2.386 233 A HA 0.592 4.914 4.320 0.003 0.000 0.248 233 A C 0.737 178.396 177.584 0.125 0.000 1.082 233 A CA 0.419 52.547 52.037 0.152 0.000 0.789 233 A CB 0.370 19.479 19.000 0.182 0.000 1.025 233 A HN 0.882 nan 8.150 nan 0.000 0.490 234 E N 0.662 120.923 120.200 0.101 0.000 2.366 234 E HA 0.027 4.379 4.350 0.003 0.000 0.266 234 E C -0.379 176.313 176.600 0.155 0.000 1.015 234 E CA 0.182 56.642 56.400 0.099 0.000 0.906 234 E CB 0.131 29.866 29.700 0.059 0.000 0.979 234 E HN 0.715 nan 8.360 nan 0.000 0.443 235 H N 6.433 125.520 119.070 0.029 0.000 2.595 235 H HA 0.238 4.796 4.556 0.003 0.000 0.313 235 H C -0.697 174.628 175.328 -0.005 0.000 1.023 235 H CA -1.184 54.879 56.048 0.026 0.000 1.218 235 H CB 0.535 30.325 29.762 0.047 0.000 1.403 235 H HN 0.401 nan 8.280 nan 0.000 0.477 236 I N 5.276 125.865 120.570 0.031 0.000 2.331 236 I HA 0.059 4.230 4.170 0.003 0.000 0.292 236 I C 0.659 176.663 176.117 -0.188 0.000 0.998 236 I CA -0.468 60.759 61.300 -0.122 0.000 1.267 236 I CB 1.188 39.110 38.000 -0.130 0.000 1.386 236 I HN 0.613 nan 8.210 nan 0.000 0.476 237 T N 4.578 118.984 114.554 -0.247 0.000 3.053 237 T HA 0.506 4.858 4.350 0.003 0.000 0.363 237 T C -2.471 172.166 174.700 -0.105 0.000 1.239 237 T CA -1.792 60.193 62.100 -0.192 0.000 1.071 237 T CB 0.827 69.544 68.868 -0.253 0.000 1.089 237 T HN 0.286 nan 8.240 nan 0.000 0.527 238 P HA 0.333 nan 4.420 nan 0.000 0.277 238 P C -0.238 177.038 177.300 -0.040 0.000 1.240 238 P CA -0.712 62.361 63.100 -0.045 0.000 0.798 238 P CB 0.961 32.663 31.700 0.005 0.000 0.979 239 K N 2.731 123.099 120.400 -0.053 0.000 2.436 239 K HA 0.138 4.460 4.320 0.003 0.000 0.275 239 K C -2.123 174.436 176.600 -0.069 0.000 0.999 239 K CA -1.127 55.126 56.287 -0.057 0.000 0.980 239 K CB -0.723 31.748 32.500 -0.048 0.000 0.919 239 K HN 0.366 nan 8.250 nan 0.000 0.484 240 P HA -0.081 nan 4.420 nan 0.000 0.267 240 P C -0.752 176.477 177.300 -0.118 0.000 1.200 240 P CA 0.483 63.422 63.100 -0.268 0.000 0.772 240 P CB 0.492 31.643 31.700 -0.915 0.000 0.855 241 Q N -0.922 118.892 119.800 0.024 0.000 2.465 241 Q HA -0.184 4.158 4.340 0.003 0.000 0.248 241 Q C 0.353 176.525 176.000 0.288 0.000 0.819 241 Q CA 1.391 57.289 55.803 0.158 0.000 1.219 241 Q CB -2.767 26.070 28.738 0.165 0.000 1.472 241 Q HN 0.710 nan 8.270 nan 0.000 0.630 242 T N -4.732 109.948 114.554 0.209 0.000 3.084 242 T HA 0.105 4.456 4.350 0.003 0.000 0.270 242 T C 0.801 175.587 174.700 0.144 0.000 1.008 242 T CA 0.140 62.334 62.100 0.158 0.000 0.900 242 T CB 0.332 69.174 68.868 -0.043 0.000 1.084 242 T HN 0.129 nan 8.240 nan 0.000 0.538 243 D N 1.801 122.345 120.400 0.240 0.000 2.123 243 D HA -0.102 4.540 4.640 0.003 0.000 0.196 243 D C 2.037 178.486 176.300 0.248 0.000 0.992 243 D CA 1.073 55.266 54.000 0.323 0.000 0.833 243 D CB 0.053 41.076 40.800 0.372 0.000 0.954 243 D HN 0.285 nan 8.370 nan 0.000 0.455 244 V N 1.831 121.892 119.914 0.245 0.000 2.392 244 V HA -0.265 3.857 4.120 0.003 0.000 0.249 244 V C 2.614 178.871 176.094 0.273 0.000 1.059 244 V CA 1.859 64.314 62.300 0.258 0.000 1.051 244 V CB -0.687 31.360 31.823 0.373 0.000 0.658 244 V HN 0.193 nan 8.190 nan 0.000 0.455 245 A N -0.352 122.548 122.820 0.134 0.000 1.930 245 A HA -0.127 4.195 4.320 0.003 0.000 0.217 245 A C 2.163 179.774 177.584 0.045 0.000 1.175 245 A CA 1.640 53.633 52.037 -0.072 0.000 0.627 245 A CB -0.470 17.987 19.000 -0.905 0.000 0.815 245 A HN 0.516 nan 8.150 nan 0.000 0.443 246 I N -0.760 119.852 120.570 0.071 0.000 2.179 246 I HA -0.308 3.863 4.170 0.003 0.000 0.242 246 I C 2.720 178.999 176.117 0.270 0.000 1.088 246 I CA 1.543 62.938 61.300 0.158 0.000 1.357 246 I CB -0.322 37.821 38.000 0.238 0.000 1.051 246 I HN 0.340 nan 8.210 nan 0.000 0.409 247 M N 0.032 119.816 119.600 0.306 0.000 2.117 247 M HA -0.229 4.252 4.480 0.003 0.000 0.262 247 M C 2.376 178.823 176.300 0.244 0.000 1.065 247 M CA 1.882 57.337 55.300 0.259 0.000 1.114 247 M CB -0.400 32.246 32.600 0.077 0.000 1.361 247 M HN 0.240 nan 8.290 nan 0.000 0.408 248 L N -0.487 120.896 121.223 0.267 0.000 2.046 248 L HA -0.146 4.195 4.340 0.003 0.000 0.208 248 L C 2.690 179.703 176.870 0.238 0.000 1.077 248 L CA 1.391 56.395 54.840 0.275 0.000 0.747 248 L CB -1.200 41.050 42.059 0.318 0.000 0.896 248 L HN 0.417 nan 8.230 nan 0.000 0.432 249 G N -0.511 108.443 108.800 0.257 0.000 2.422 249 G HA2 -0.260 3.701 3.960 0.003 0.000 0.218 249 G HA3 -0.260 3.701 3.960 0.003 0.000 0.218 249 G C 1.619 176.632 174.900 0.189 0.000 1.146 249 G CA 0.699 45.924 45.100 0.208 0.000 0.769 249 G HN 0.209 nan 8.290 nan 0.000 0.547 250 M N 0.713 120.428 119.600 0.191 0.000 2.099 250 M HA 0.055 4.536 4.480 0.003 0.000 0.262 250 M C 3.076 179.480 176.300 0.172 0.000 1.067 250 M CA 1.359 56.762 55.300 0.171 0.000 1.124 250 M CB -0.224 32.511 32.600 0.224 0.000 1.353 250 M HN 0.289 nan 8.290 nan 0.000 0.410 251 A N -0.481 122.457 122.820 0.197 0.000 1.908 251 A HA -0.236 4.086 4.320 0.003 0.000 0.218 251 A C 2.062 179.716 177.584 0.117 0.000 1.181 251 A CA 1.805 53.950 52.037 0.180 0.000 0.627 251 A CB -1.265 17.889 19.000 0.257 0.000 0.818 251 A HN 0.580 nan 8.150 nan 0.000 0.445 252 H N 0.047 119.136 119.070 0.032 0.000 2.319 252 H HA -0.125 4.433 4.556 0.003 0.000 0.299 252 H C 2.064 177.396 175.328 0.006 0.000 1.092 252 H CA 2.205 58.236 56.048 -0.028 0.000 1.302 252 H CB -0.314 29.409 29.762 -0.064 0.000 1.373 252 H HN 0.431 nan 8.280 nan 0.000 0.497 253 T N 2.032 116.656 114.554 0.117 0.000 2.665 253 T HA -0.154 4.197 4.350 0.003 0.000 0.268 253 T C 2.452 177.162 174.700 0.017 0.000 1.035 253 T CA 1.545 63.685 62.100 0.066 0.000 1.151 253 T CB -0.444 68.477 68.868 0.089 0.000 0.862 253 T HN 0.258 nan 8.240 nan 0.000 0.438 254 L N 0.616 121.874 121.223 0.058 0.000 2.127 254 L HA -0.105 4.236 4.340 0.003 0.000 0.211 254 L C 2.611 179.575 176.870 0.157 0.000 1.089 254 L CA 0.854 55.764 54.840 0.116 0.000 0.757 254 L CB -0.737 41.418 42.059 0.160 0.000 0.899 254 L HN 0.172 nan 8.230 nan 0.000 0.434 255 V N -0.133 119.793 119.914 0.019 0.000 2.302 255 V HA -0.178 3.944 4.120 0.003 0.000 0.243 255 V C 2.731 178.818 176.094 -0.012 0.000 1.036 255 V CA 1.664 63.986 62.300 0.036 0.000 1.020 255 V CB -0.717 31.022 31.823 -0.140 0.000 0.657 255 V HN 0.439 nan 8.190 nan 0.000 0.453 256 A N -0.334 122.371 122.820 -0.191 0.000 1.978 256 A HA -0.232 4.090 4.320 0.003 0.000 0.220 256 A C 1.974 179.536 177.584 -0.037 0.000 1.170 256 A CA 1.849 53.793 52.037 -0.155 0.000 0.636 256 A CB -0.415 18.450 19.000 -0.225 0.000 0.810 256 A HN 0.667 nan 8.150 nan 0.000 0.448 257 E N -1.085 119.113 120.200 -0.004 0.000 2.465 257 E HA 0.086 4.437 4.350 0.003 0.000 0.191 257 E C -0.426 176.197 176.600 0.037 0.000 1.053 257 E CA 0.178 56.589 56.400 0.019 0.000 0.869 257 E CB 0.034 29.747 29.700 0.022 0.000 0.977 257 E HN 0.524 nan 8.360 nan 0.000 0.483 258 D N 0.317 120.756 120.400 0.066 0.000 2.689 258 D HA -0.198 4.443 4.640 0.003 0.000 0.237 258 D C 0.182 176.507 176.300 0.042 0.000 1.148 258 D CA 0.434 54.476 54.000 0.071 0.000 0.656 258 D CB -0.963 39.852 40.800 0.024 0.000 1.050 258 D HN 0.271 nan 8.370 nan 0.000 0.426 259 L N -0.327 120.955 121.223 0.098 0.000 2.575 259 L HA 0.136 4.477 4.340 0.003 0.000 0.228 259 L C 1.290 178.203 176.870 0.072 0.000 1.075 259 L CA -0.428 54.452 54.840 0.066 0.000 0.867 259 L CB -0.171 41.938 42.059 0.084 0.000 1.097 259 L HN 0.331 nan 8.230 nan 0.000 0.485 260 Y N -0.796 119.516 120.300 0.022 0.000 2.426 260 Y HA 0.126 4.678 4.550 0.003 0.000 0.344 260 Y C 0.334 176.236 175.900 0.003 0.000 1.256 260 Y CA -0.896 57.212 58.100 0.014 0.000 1.451 260 Y CB 0.072 38.541 38.460 0.016 0.000 1.342 260 Y HN -0.121 nan 8.280 nan 0.000 0.600 261 D N 2.656 123.069 120.400 0.022 0.000 2.470 261 D HA 0.060 4.702 4.640 0.003 0.000 0.226 261 D C 0.348 176.611 176.300 -0.063 0.000 1.196 261 D CA 0.048 54.028 54.000 -0.033 0.000 0.979 261 D CB 0.440 41.279 40.800 0.065 0.000 1.059 261 D HN 0.726 nan 8.370 nan 0.000 0.515 262 K N 1.689 121.912 120.400 -0.296 0.000 2.063 262 K HA -0.145 4.177 4.320 0.003 0.000 0.208 262 K C 1.023 177.599 176.600 -0.040 0.000 1.048 262 K CA 0.999 57.149 56.287 -0.228 0.000 0.928 262 K CB 0.304 32.641 32.500 -0.273 0.000 0.713 262 K HN 0.361 nan 8.250 nan 0.000 0.442 263 D N 0.403 120.801 120.400 -0.004 0.000 2.117 263 D HA -0.144 4.497 4.640 0.003 0.000 0.198 263 D C 1.681 178.039 176.300 0.097 0.000 0.982 263 D CA 0.845 54.864 54.000 0.031 0.000 0.828 263 D CB -0.298 40.526 40.800 0.041 0.000 0.967 263 D HN 0.079 nan 8.370 nan 0.000 0.464 264 F N 1.587 121.582 119.950 0.076 0.000 2.069 264 F HA -0.217 4.312 4.527 0.003 0.000 0.298 264 F C 2.170 178.076 175.800 0.176 0.000 1.113 264 F CA 1.127 59.244 58.000 0.195 0.000 1.214 264 F CB -0.053 39.000 39.000 0.088 0.000 0.978 264 F HN -0.167 nan 8.300 nan 0.000 0.474 265 I N 0.907 121.621 120.570 0.240 0.000 2.151 265 I HA -0.341 3.831 4.170 0.003 0.000 0.243 265 I C 2.742 178.862 176.117 0.005 0.000 1.080 265 I CA 1.707 63.059 61.300 0.087 0.000 1.339 265 I CB -2.134 35.830 38.000 -0.060 0.000 1.039 265 I HN 0.285 nan 8.210 nan 0.000 0.409 266 A N 0.708 123.521 122.820 -0.011 0.000 1.930 266 A HA -0.166 4.156 4.320 0.003 0.000 0.217 266 A C 2.015 179.515 177.584 -0.139 0.000 1.175 266 A CA 1.623 53.636 52.037 -0.041 0.000 0.627 266 A CB -0.482 18.499 19.000 -0.032 0.000 0.815 266 A HN 0.461 nan 8.150 nan 0.000 0.443 267 N N -2.092 116.449 118.700 -0.266 0.000 2.405 267 N HA 0.051 4.793 4.740 0.003 0.000 0.175 267 N C 0.365 175.400 175.510 -0.791 0.000 1.051 267 N CA 0.919 53.638 53.050 -0.553 0.000 0.899 267 N CB -0.043 37.998 38.487 -0.743 0.000 1.000 267 N HN 0.654 nan 8.380 nan 0.000 0.451 268 Y N -0.299 119.725 120.300 -0.460 0.000 2.527 268 Y HA 0.211 4.762 4.550 0.003 0.000 0.247 268 Y C 0.770 176.636 175.900 -0.057 0.000 1.138 268 Y CA -0.388 57.459 58.100 -0.422 0.000 1.228 268 Y CB 0.686 38.523 38.460 -1.038 0.000 1.252 268 Y HN -0.114 nan 8.280 nan 0.000 0.531 269 T N -3.057 111.534 114.554 0.061 0.000 2.901 269 T HA 0.679 5.030 4.350 0.003 0.000 0.293 269 T C -0.645 174.136 174.700 0.134 0.000 1.084 269 T CA -0.938 61.253 62.100 0.153 0.000 1.008 269 T CB 2.175 71.156 68.868 0.189 0.000 1.170 269 T HN -0.114 nan 8.240 nan 0.000 0.509 270 S N -0.756 115.047 115.700 0.172 0.000 2.557 270 S HA 0.638 5.110 4.470 0.003 0.000 0.291 270 S C 0.881 175.615 174.600 0.224 0.000 1.116 270 S CA 0.505 58.806 58.200 0.168 0.000 0.992 270 S CB 0.632 63.917 63.200 0.143 0.000 1.028 270 S HN 2.396 nan 8.310 nan 0.000 0.484 271 G N 3.408 112.334 108.800 0.211 0.000 2.157 271 G HA2 -0.260 3.702 3.960 0.003 0.000 0.239 271 G HA3 -0.260 3.702 3.960 0.003 0.000 0.239 271 G C 0.517 175.575 174.900 0.264 0.000 0.982 271 G CA 0.332 45.572 45.100 0.232 0.000 0.650 271 G HN 0.898 nan 8.290 nan 0.000 0.527 272 F N 2.617 122.648 119.950 0.136 0.000 2.216 272 F HA -0.030 4.499 4.527 0.003 0.000 0.300 272 F C 2.380 178.260 175.800 0.132 0.000 1.085 272 F CA 2.252 60.348 58.000 0.161 0.000 1.326 272 F CB 0.080 39.174 39.000 0.155 0.000 1.027 272 F HN 0.325 nan 8.300 nan 0.000 0.497 273 D N -0.088 120.384 120.400 0.120 0.000 2.264 273 D HA -0.189 4.452 4.640 0.003 0.000 0.208 273 D C 1.519 177.745 176.300 -0.124 0.000 0.966 273 D CA 1.097 55.083 54.000 -0.025 0.000 0.864 273 D CB -0.597 40.231 40.800 0.045 0.000 0.933 273 D HN 0.359 nan 8.370 nan 0.000 0.499 274 K N -1.065 119.267 120.400 -0.115 0.000 2.379 274 K HA 0.076 4.398 4.320 0.003 0.000 0.194 274 K C 1.389 177.906 176.600 -0.138 0.000 1.031 274 K CA -0.016 56.166 56.287 -0.174 0.000 1.037 274 K CB 0.062 32.318 32.500 -0.406 0.000 0.824 274 K HN 0.101 nan 8.250 nan 0.000 0.516 275 F N 0.912 120.653 119.950 -0.348 0.000 2.446 275 F HA 0.054 4.583 4.527 0.003 0.000 0.292 275 F C 1.621 177.118 175.800 -0.506 0.000 1.096 275 F CA 0.123 57.796 58.000 -0.545 0.000 1.438 275 F CB 0.012 38.765 39.000 -0.412 0.000 1.107 275 F HN -0.156 nan 8.300 nan 0.000 0.546 276 L N 2.028 122.836 121.223 -0.692 0.000 2.043 276 L HA -0.068 4.273 4.340 0.003 0.000 0.212 276 L C -0.907 175.661 176.870 -0.503 0.000 1.075 276 L CA 2.230 56.627 54.840 -0.739 0.000 0.752 276 L CB -1.848 39.800 42.059 -0.684 0.000 0.891 276 L HN -0.001 nan 8.230 nan 0.000 0.432 277 P HA -0.222 nan 4.420 nan 0.000 0.217 277 P C 1.382 178.537 177.300 -0.242 0.000 1.150 277 P CA 1.497 64.457 63.100 -0.234 0.000 0.832 277 P CB -0.300 31.311 31.700 -0.148 0.000 0.787 278 Y N 0.472 120.528 120.300 -0.407 0.000 2.200 278 Y HA -0.137 4.414 4.550 0.003 0.000 0.290 278 Y C 2.097 177.714 175.900 -0.472 0.000 1.137 278 Y CA 1.057 58.934 58.100 -0.371 0.000 1.163 278 Y CB -1.061 37.201 38.460 -0.329 0.000 0.988 278 Y HN -0.230 nan 8.280 nan 0.000 0.518 279 L N 0.611 121.353 121.223 -0.801 0.000 2.083 279 L HA -0.180 4.161 4.340 0.003 0.000 0.209 279 L C 1.507 178.096 176.870 -0.467 0.000 1.083 279 L CA 2.143 56.521 54.840 -0.770 0.000 0.752 279 L CB -0.739 40.834 42.059 -0.811 0.000 0.899 279 L HN 0.185 nan 8.230 nan 0.000 0.433 280 D N -0.432 119.753 120.400 -0.359 0.000 2.355 280 D HA 0.143 4.785 4.640 0.003 0.000 0.218 280 D C 1.582 177.738 176.300 -0.240 0.000 1.004 280 D CA 0.954 54.834 54.000 -0.199 0.000 0.880 280 D CB 0.149 40.850 40.800 -0.166 0.000 0.911 280 D HN 0.482 nan 8.370 nan 0.000 0.528 281 G N 1.457 110.052 108.800 -0.343 0.000 2.136 281 G HA2 -0.337 3.624 3.960 0.003 0.000 0.242 281 G HA3 -0.337 3.624 3.960 0.003 0.000 0.242 281 G C 0.895 175.682 174.900 -0.188 0.000 0.989 281 G CA 0.403 45.317 45.100 -0.309 0.000 0.682 281 G HN 0.365 nan 8.290 nan 0.000 0.522 282 E N -0.279 119.824 120.200 -0.160 0.000 2.150 282 E HA -0.066 4.286 4.350 0.003 0.000 0.193 282 E C 2.605 179.161 176.600 -0.073 0.000 0.985 282 E CA 1.541 57.878 56.400 -0.105 0.000 0.814 282 E CB -0.129 29.511 29.700 -0.100 0.000 0.752 282 E HN 0.709 nan 8.360 nan 0.000 0.466 283 T N -0.730 113.789 114.554 -0.059 0.000 3.088 283 T HA -0.047 4.304 4.350 0.003 0.000 0.259 283 T C 0.764 175.461 174.700 -0.005 0.000 1.122 283 T CA 1.012 63.107 62.100 -0.009 0.000 1.095 283 T CB 0.063 68.967 68.868 0.060 0.000 0.930 283 T HN 0.136 nan 8.240 nan 0.000 0.508 284 D N -1.183 119.192 120.400 -0.042 0.000 2.615 284 D HA 0.192 4.834 4.640 0.003 0.000 0.274 284 D C 0.392 176.652 176.300 -0.067 0.000 1.512 284 D CA -0.195 53.786 54.000 -0.032 0.000 0.803 284 D CB -0.532 40.269 40.800 0.002 0.000 1.182 284 D HN 0.129 nan 8.370 nan 0.000 0.473 285 S N -0.855 114.791 115.700 -0.089 0.000 3.380 285 S HA -0.150 4.322 4.470 0.003 0.000 0.300 285 S C 0.073 174.592 174.600 -0.135 0.000 1.255 285 S CA 1.361 59.505 58.200 -0.094 0.000 0.963 285 S CB -1.776 61.391 63.200 -0.055 0.000 1.106 285 S HN 0.565 nan 8.310 nan 0.000 0.629 286 T N 2.309 116.734 114.554 -0.216 0.000 3.241 286 T HA 0.389 4.741 4.350 0.003 0.000 0.387 286 T C -2.845 171.538 174.700 -0.528 0.000 1.451 286 T CA -1.147 60.754 62.100 -0.331 0.000 1.363 286 T CB 1.286 69.956 68.868 -0.331 0.000 1.074 286 T HN -0.060 nan 8.240 nan 0.000 0.598 287 P HA 0.087 nan 4.420 nan 0.000 0.263 287 P C 0.069 176.913 177.300 -0.760 0.000 1.195 287 P CA -0.406 62.404 63.100 -0.483 0.000 0.762 287 P CB 0.489 32.000 31.700 -0.315 0.000 0.799 288 K N 2.455 122.334 120.400 -0.868 0.000 2.737 288 K HA 0.101 4.422 4.320 0.003 0.000 0.251 288 K C 0.703 176.967 176.600 -0.561 0.000 1.280 288 K CA 0.146 55.830 56.287 -1.005 0.000 1.219 288 K CB -1.372 30.584 32.500 -0.906 0.000 1.587 288 K HN 0.494 nan 8.250 nan 0.000 0.279 289 T N -2.950 111.255 114.554 -0.582 0.000 2.726 289 T HA 0.249 4.601 4.350 0.003 0.000 0.294 289 T C 1.614 176.307 174.700 -0.013 0.000 1.013 289 T CA -0.091 61.710 62.100 -0.500 0.000 0.996 289 T CB 1.035 69.703 68.868 -0.334 0.000 1.016 289 T HN 0.227 nan 8.240 nan 0.000 0.529 290 A N 0.256 123.092 122.820 0.026 0.000 1.969 290 A HA -0.015 4.306 4.320 0.003 0.000 0.218 290 A C 2.209 179.800 177.584 0.012 0.000 1.169 290 A CA 1.502 53.567 52.037 0.047 0.000 0.635 290 A CB -0.992 18.032 19.000 0.040 0.000 0.810 290 A HN 0.905 nan 8.150 nan 0.000 0.445 291 E N -1.221 118.984 120.200 0.008 0.000 2.072 291 E HA -0.188 4.163 4.350 0.003 0.000 0.191 291 E C 1.561 178.157 176.600 -0.007 0.000 0.985 291 E CA 1.324 57.718 56.400 -0.010 0.000 0.801 291 E CB -0.398 29.298 29.700 -0.006 0.000 0.750 291 E HN 0.856 nan 8.360 nan 0.000 0.452 292 W N 1.349 122.551 121.300 -0.163 0.000 2.342 292 W HA -0.176 4.485 4.660 0.003 0.000 0.297 292 W C 2.157 178.554 176.519 -0.203 0.000 1.213 292 W CA 2.152 59.388 57.345 -0.182 0.000 1.251 292 W CB -0.296 29.030 29.460 -0.223 0.000 1.136 292 W HN 0.052 nan 8.180 nan 0.000 0.526 293 A N -0.014 122.669 122.820 -0.228 0.000 1.968 293 A HA -0.179 4.143 4.320 0.003 0.000 0.217 293 A C 1.973 179.318 177.584 -0.398 0.000 1.169 293 A CA 1.682 53.428 52.037 -0.485 0.000 0.638 293 A CB -0.975 17.965 19.000 -0.100 0.000 0.812 293 A HN 0.557 nan 8.150 nan 0.000 0.446 294 E N -0.107 119.949 120.200 -0.240 0.000 2.051 294 E HA -0.130 4.221 4.350 0.003 0.000 0.192 294 E C 2.039 178.493 176.600 -0.244 0.000 0.991 294 E CA 1.253 57.537 56.400 -0.193 0.000 0.799 294 E CB -0.533 29.095 29.700 -0.120 0.000 0.748 294 E HN 0.443 nan 8.360 nan 0.000 0.449 295 G N 0.927 109.558 108.800 -0.282 0.000 2.442 295 G HA2 -0.234 3.728 3.960 0.003 0.000 0.219 295 G HA3 -0.234 3.728 3.960 0.003 0.000 0.219 295 G C 1.567 176.268 174.900 -0.332 0.000 1.141 295 G CA 1.020 45.958 45.100 -0.269 0.000 0.763 295 G HN 0.280 nan 8.290 nan 0.000 0.554 296 I N 1.124 121.375 120.570 -0.531 0.000 2.235 296 I HA -0.103 4.069 4.170 0.003 0.000 0.241 296 I C 3.059 178.969 176.117 -0.345 0.000 1.085 296 I CA 1.530 62.519 61.300 -0.519 0.000 1.378 296 I CB -0.056 37.365 38.000 -0.965 0.000 1.076 296 I HN 0.328 nan 8.210 nan 0.000 0.415 297 S N -0.057 115.437 115.700 -0.344 0.000 2.478 297 S HA 0.141 4.613 4.470 0.003 0.000 0.222 297 S C 1.814 176.326 174.600 -0.147 0.000 1.008 297 S CA 0.581 58.656 58.200 -0.209 0.000 0.928 297 S CB 0.379 63.465 63.200 -0.190 0.000 0.781 297 S HN 0.606 nan 8.310 nan 0.000 0.518 298 G N 0.405 109.112 108.800 -0.155 0.000 2.205 298 G HA2 -0.251 3.710 3.960 0.003 0.000 0.261 298 G HA3 -0.251 3.710 3.960 0.003 0.000 0.261 298 G C 0.099 174.935 174.900 -0.107 0.000 0.980 298 G CA 0.174 45.204 45.100 -0.117 0.000 0.632 298 G HN 0.787 nan 8.290 nan 0.000 0.533 299 V N 2.816 122.663 119.914 -0.112 0.000 2.488 299 V HA 0.394 4.515 4.120 0.003 0.000 0.277 299 V C -1.440 174.601 176.094 -0.089 0.000 1.046 299 V CA -1.402 60.840 62.300 -0.097 0.000 0.986 299 V CB 1.173 32.941 31.823 -0.093 0.000 0.989 299 V HN 0.124 nan 8.190 nan 0.000 0.475 300 P HA -0.075 nan 4.420 nan 0.000 0.259 300 P C 0.707 177.970 177.300 -0.061 0.000 1.163 300 P CA 0.588 63.649 63.100 -0.065 0.000 0.760 300 P CB 0.495 32.161 31.700 -0.057 0.000 0.762 301 A N 5.011 127.799 122.820 -0.054 0.000 1.948 301 A HA -0.238 4.083 4.320 0.003 0.000 0.220 301 A C 1.905 179.470 177.584 -0.032 0.000 1.177 301 A CA 1.532 53.545 52.037 -0.040 0.000 0.636 301 A CB -0.722 18.259 19.000 -0.031 0.000 0.815 301 A HN 0.494 nan 8.150 nan 0.000 0.449 302 E N -0.575 119.604 120.200 -0.034 0.000 2.208 302 E HA -0.084 4.268 4.350 0.003 0.000 0.193 302 E C 2.044 178.616 176.600 -0.047 0.000 0.988 302 E CA 1.430 57.811 56.400 -0.033 0.000 0.828 302 E CB -0.680 29.003 29.700 -0.029 0.000 0.763 302 E HN 0.622 nan 8.360 nan 0.000 0.478 303 T N 1.668 116.188 114.554 -0.056 0.000 2.777 303 T HA -0.026 4.325 4.350 0.003 0.000 0.266 303 T C 2.116 176.761 174.700 -0.092 0.000 1.040 303 T CA 0.636 62.691 62.100 -0.074 0.000 1.141 303 T CB -0.118 68.706 68.868 -0.074 0.000 0.868 303 T HN 0.111 nan 8.240 nan 0.000 0.444 304 I N 0.938 121.466 120.570 -0.070 0.000 2.163 304 I HA -0.233 3.938 4.170 0.003 0.000 0.243 304 I C 2.537 178.614 176.117 -0.067 0.000 1.085 304 I CA 1.478 62.742 61.300 -0.059 0.000 1.347 304 I CB -0.362 37.627 38.000 -0.019 0.000 1.044 304 I HN 0.236 nan 8.210 nan 0.000 0.408 305 K N 0.812 121.186 120.400 -0.043 0.000 2.009 305 K HA -0.214 4.108 4.320 0.003 0.000 0.210 305 K C 2.030 178.581 176.600 -0.081 0.000 1.049 305 K CA 1.727 57.993 56.287 -0.036 0.000 0.929 305 K CB -0.249 32.243 32.500 -0.013 0.000 0.714 305 K HN 0.370 nan 8.250 nan 0.000 0.440 306 E N 0.587 120.730 120.200 -0.095 0.000 2.085 306 E HA -0.188 4.164 4.350 0.003 0.000 0.194 306 E C 1.982 178.456 176.600 -0.210 0.000 0.994 306 E CA 0.785 57.117 56.400 -0.114 0.000 0.801 306 E CB -0.016 29.630 29.700 -0.090 0.000 0.743 306 E HN 0.079 nan 8.360 nan 0.000 0.453 307 L N 0.792 121.830 121.223 -0.308 0.000 2.012 307 L HA -0.181 4.161 4.340 0.003 0.000 0.210 307 L C 2.443 178.764 176.870 -0.915 0.000 1.073 307 L CA 1.921 56.362 54.840 -0.665 0.000 0.748 307 L CB -1.549 40.128 42.059 -0.636 0.000 0.891 307 L HN 0.092 nan 8.230 nan 0.000 0.431 308 A N -0.387 122.148 122.820 -0.475 0.000 1.892 308 A HA -0.255 4.067 4.320 0.003 0.000 0.218 308 A C 2.442 179.961 177.584 -0.109 0.000 1.188 308 A CA 1.876 53.784 52.037 -0.215 0.000 0.631 308 A CB -0.488 18.491 19.000 -0.036 0.000 0.822 308 A HN 0.406 nan 8.150 nan 0.000 0.447 309 R N -1.235 119.202 120.500 -0.104 0.000 2.092 309 R HA -0.064 4.278 4.340 0.003 0.000 0.231 309 R C 2.149 178.434 176.300 -0.025 0.000 1.119 309 R CA 1.319 57.397 56.100 -0.037 0.000 0.970 309 R CB -0.534 29.746 30.300 -0.034 0.000 0.864 309 R HN 0.518 nan 8.270 nan 0.000 0.440 310 L N 0.243 121.415 121.223 -0.085 0.000 2.027 310 L HA -0.108 4.234 4.340 0.003 0.000 0.206 310 L C 1.807 178.769 176.870 0.153 0.000 1.074 310 L CA 1.716 56.555 54.840 -0.003 0.000 0.745 310 L CB -0.403 41.631 42.059 -0.041 0.000 0.898 310 L HN -0.036 nan 8.230 nan 0.000 0.433 311 F N 0.357 120.321 119.950 0.023 0.000 2.161 311 F HA -0.175 4.354 4.527 0.003 0.000 0.300 311 F C 2.639 178.450 175.800 0.019 0.000 1.089 311 F CA 1.440 59.456 58.000 0.026 0.000 1.282 311 F CB -1.253 37.780 39.000 0.056 0.000 1.010 311 F HN 0.297 nan 8.300 nan 0.000 0.485 312 E N 0.446 120.771 120.200 0.207 0.000 2.208 312 E HA -0.126 4.226 4.350 0.003 0.000 0.193 312 E C 1.977 178.622 176.600 0.076 0.000 0.988 312 E CA 1.343 57.815 56.400 0.120 0.000 0.828 312 E CB -0.201 29.557 29.700 0.096 0.000 0.763 312 E HN 0.247 nan 8.360 nan 0.000 0.478 313 S N -1.286 114.456 115.700 0.070 0.000 2.540 313 S HA 0.236 4.708 4.470 0.003 0.000 0.218 313 S C 0.509 175.134 174.600 0.042 0.000 0.977 313 S CA -0.515 57.712 58.200 0.044 0.000 0.918 313 S CB 0.339 63.559 63.200 0.033 0.000 0.806 313 S HN -0.122 nan 8.310 nan 0.000 0.496 314 K N 1.311 121.745 120.400 0.057 0.000 2.400 314 K HA 0.457 4.779 4.320 0.003 0.000 0.246 314 K C -0.926 175.690 176.600 0.026 0.000 0.995 314 K CA -0.894 55.418 56.287 0.042 0.000 0.840 314 K CB 1.348 33.883 32.500 0.057 0.000 1.293 314 K HN 0.048 nan 8.250 nan 0.000 0.445 315 R N 0.913 121.415 120.500 0.004 0.000 2.291 315 R HA 0.172 4.514 4.340 0.003 0.000 0.333 315 R C -0.912 175.365 176.300 -0.038 0.000 1.082 315 R CA 0.507 56.595 56.100 -0.020 0.000 0.948 315 R CB -0.491 29.795 30.300 -0.023 0.000 1.009 315 R HN 0.431 nan 8.270 nan 0.000 0.460 316 T N 5.234 119.754 114.554 -0.057 0.000 2.829 316 T HA 0.409 4.761 4.350 0.003 0.000 0.280 316 T C -0.797 173.813 174.700 -0.149 0.000 0.999 316 T CA -0.591 61.441 62.100 -0.113 0.000 0.983 316 T CB 1.187 69.976 68.868 -0.133 0.000 0.968 316 T HN 0.490 nan 8.240 nan 0.000 0.446 317 M N 4.258 123.741 119.600 -0.194 0.000 2.167 317 M HA 0.486 4.968 4.480 0.003 0.000 0.333 317 M C -1.657 174.524 176.300 -0.198 0.000 1.030 317 M CA -1.046 54.147 55.300 -0.178 0.000 0.963 317 M CB 0.296 32.762 32.600 -0.223 0.000 1.589 317 M HN 0.470 nan 8.290 nan 0.000 0.431 318 L N 5.500 126.677 121.223 -0.077 0.000 2.315 318 L HA 0.586 4.927 4.340 0.003 0.000 0.278 318 L C -0.065 176.881 176.870 0.127 0.000 1.088 318 L CA -0.691 54.147 54.840 -0.004 0.000 0.899 318 L CB 0.349 42.437 42.059 0.048 0.000 1.277 318 L HN 0.909 nan 8.230 nan 0.000 0.431 319 A N 3.295 126.154 122.820 0.065 0.000 2.366 319 A HA 0.714 5.036 4.320 0.003 0.000 0.322 319 A C 0.325 178.093 177.584 0.308 0.000 1.397 319 A CA -0.325 51.849 52.037 0.230 0.000 0.984 319 A CB 0.410 19.460 19.000 0.083 0.000 1.149 319 A HN 0.672 nan 8.150 nan 0.000 0.540 320 A N 2.540 125.555 122.820 0.325 0.000 2.305 320 A HA 0.749 5.071 4.320 0.003 0.000 0.322 320 A C 0.731 178.419 177.584 0.174 0.000 1.187 320 A CA 0.131 52.361 52.037 0.321 0.000 0.825 320 A CB 0.628 19.849 19.000 0.369 0.000 1.164 320 A HN 1.254 nan 8.150 nan 0.000 0.498 321 G N -0.109 108.688 108.800 -0.006 0.000 2.532 321 G HA2 0.442 4.404 3.960 0.003 0.000 0.291 321 G HA3 0.442 4.404 3.960 0.003 0.000 0.291 321 G C 0.006 174.910 174.900 0.007 0.000 1.349 321 G CA -0.327 44.416 45.100 -0.594 0.000 1.038 321 G HN 0.759 nan 8.290 nan 0.000 0.518 322 W N -0.307 120.980 121.300 -0.023 0.000 3.103 322 W HA 0.148 4.810 4.660 0.002 0.000 0.325 322 W C 2.415 179.015 176.519 0.135 0.000 1.170 322 W CA 0.168 57.597 57.345 0.140 0.000 1.712 322 W CB -1.039 28.496 29.460 0.126 0.000 1.068 322 W HN 0.626 nan 8.180 nan 0.000 0.592 323 S N 1.612 117.471 115.700 0.266 0.000 2.374 323 S HA -0.295 4.177 4.470 0.003 0.000 0.227 323 S C 1.779 176.517 174.600 0.229 0.000 1.037 323 S CA 1.850 60.190 58.200 0.233 0.000 1.024 323 S CB -0.956 62.362 63.200 0.197 0.000 0.861 323 S HN 0.386 nan 8.310 nan 0.000 0.456 324 M N 0.689 120.414 119.600 0.209 0.000 2.630 324 M HA 0.107 4.588 4.480 0.003 0.000 0.254 324 M C 1.492 177.867 176.300 0.125 0.000 1.092 324 M CA 1.272 56.661 55.300 0.148 0.000 1.087 324 M CB -0.602 32.058 32.600 0.099 0.000 1.453 324 M HN 0.441 nan 8.290 nan 0.000 0.509 325 Q N 0.683 120.602 119.800 0.199 0.000 2.282 325 Q HA 0.201 4.542 4.340 0.003 0.000 0.206 325 Q C 1.130 177.222 176.000 0.153 0.000 0.878 325 Q CA 0.224 56.135 55.803 0.180 0.000 0.944 325 Q CB -0.025 28.881 28.738 0.280 0.000 1.100 325 Q HN 0.579 nan 8.270 nan 0.000 0.509 326 R N 0.645 121.250 120.500 0.175 0.000 3.351 326 R HA 0.456 4.797 4.340 0.003 0.000 0.296 326 R C -0.902 175.477 176.300 0.132 0.000 1.427 326 R CA 0.050 56.242 56.100 0.153 0.000 1.257 326 R CB 0.019 30.445 30.300 0.210 0.000 1.378 326 R HN 0.252 nan 8.270 nan 0.000 0.610 327 M N -1.091 118.580 119.600 0.117 0.000 2.622 327 M HA 0.204 4.686 4.480 0.003 0.000 0.276 327 M C -0.706 175.657 176.300 0.105 0.000 1.265 327 M CA -0.944 54.428 55.300 0.119 0.000 0.850 327 M CB 2.346 35.034 32.600 0.147 0.000 1.720 327 M HN 0.164 nan 8.290 nan 0.000 0.465 328 H N 0.312 119.342 119.070 -0.067 0.000 2.928 328 H HA 0.021 4.579 4.556 0.003 0.000 0.338 328 H C -0.361 174.835 175.328 -0.220 0.000 1.047 328 H CA 1.235 57.136 56.048 -0.245 0.000 1.435 328 H CB 0.281 29.840 29.762 -0.339 0.000 1.428 328 H HN 0.781 nan 8.280 nan 0.000 0.590 329 H N 0.798 119.828 119.070 -0.067 0.000 2.820 329 H HA -0.183 4.374 4.556 0.003 0.000 0.295 329 H C 1.593 176.913 175.328 -0.012 0.000 1.187 329 H CA 0.187 56.161 56.048 -0.123 0.000 1.144 329 H CB -1.457 28.145 29.762 -0.268 0.000 1.354 329 H HN 0.910 nan 8.280 nan 0.000 0.395 330 G N 0.479 109.341 108.800 0.104 0.000 2.485 330 G HA2 -0.289 3.673 3.960 0.003 0.000 0.221 330 G HA3 -0.289 3.673 3.960 0.003 0.000 0.221 330 G C 1.391 176.361 174.900 0.117 0.000 1.115 330 G CA 1.295 46.459 45.100 0.106 0.000 0.751 330 G HN 0.508 nan 8.290 nan 0.000 0.567 331 E N 0.393 120.667 120.200 0.124 0.000 2.209 331 E HA -0.098 4.253 4.350 0.003 0.000 0.196 331 E C 2.623 179.350 176.600 0.212 0.000 0.993 331 E CA 0.883 57.370 56.400 0.146 0.000 0.819 331 E CB -0.064 29.718 29.700 0.137 0.000 0.745 331 E HN 0.343 nan 8.360 nan 0.000 0.477 332 Q N -0.263 119.643 119.800 0.176 0.000 2.291 332 Q HA 0.019 4.361 4.340 0.003 0.000 0.205 332 Q C 2.093 178.148 176.000 0.091 0.000 0.970 332 Q CA 1.181 57.077 55.803 0.155 0.000 0.876 332 Q CB -0.164 28.617 28.738 0.071 0.000 0.935 332 Q HN 0.343 nan 8.270 nan 0.000 0.455 333 A N 0.353 123.183 122.820 0.017 0.000 1.873 333 A HA -0.173 4.149 4.320 0.003 0.000 0.215 333 A C 1.566 178.984 177.584 -0.275 0.000 1.186 333 A CA 1.508 53.447 52.037 -0.162 0.000 0.616 333 A CB -0.672 18.169 19.000 -0.265 0.000 0.823 333 A HN 0.416 nan 8.150 nan 0.000 0.442 334 H N -3.550 115.529 119.070 0.014 0.000 2.512 334 H HA -0.045 4.512 4.556 0.003 0.000 0.279 334 H C 1.629 176.959 175.328 0.004 0.000 0.999 334 H CA 0.833 56.857 56.048 -0.039 0.000 1.283 334 H CB -0.033 29.719 29.762 -0.017 0.000 1.421 334 H HN 0.696 nan 8.280 nan 0.000 0.554 335 W N 1.294 122.560 121.300 -0.057 0.000 2.358 335 W HA -0.180 4.482 4.660 0.003 0.000 0.303 335 W C 2.101 178.527 176.519 -0.155 0.000 1.208 335 W CA 1.232 58.513 57.345 -0.106 0.000 1.274 335 W CB -0.540 28.875 29.460 -0.076 0.000 1.138 335 W HN 0.187 nan 8.180 nan 0.000 0.515 336 M N 0.033 119.638 119.600 0.007 0.000 2.175 336 M HA -0.119 4.363 4.480 0.003 0.000 0.264 336 M C 2.122 178.333 176.300 -0.149 0.000 1.063 336 M CA 1.570 56.796 55.300 -0.123 0.000 1.119 336 M CB -1.164 31.398 32.600 -0.063 0.000 1.377 336 M HN 0.008 nan 8.290 nan 0.000 0.415 337 L N -0.900 120.202 121.223 -0.202 0.000 2.046 337 L HA -0.129 4.212 4.340 0.003 0.000 0.208 337 L C 2.077 178.781 176.870 -0.277 0.000 1.077 337 L CA 1.287 55.959 54.840 -0.281 0.000 0.747 337 L CB -0.438 41.435 42.059 -0.309 0.000 0.896 337 L HN 0.156 nan 8.230 nan 0.000 0.432 338 V N -1.025 118.687 119.914 -0.336 0.000 2.427 338 V HA -0.268 3.854 4.120 0.003 0.000 0.248 338 V C 2.442 178.433 176.094 -0.172 0.000 1.051 338 V CA 2.132 64.162 62.300 -0.450 0.000 1.048 338 V CB -0.821 30.719 31.823 -0.472 0.000 0.666 338 V HN 0.523 nan 8.190 nan 0.000 0.456 339 T N 0.624 115.111 114.554 -0.111 0.000 2.708 339 T HA -0.204 4.147 4.350 0.003 0.000 0.266 339 T C 1.908 176.574 174.700 -0.055 0.000 1.037 339 T CA 1.936 63.970 62.100 -0.110 0.000 1.146 339 T CB -0.353 68.321 68.868 -0.324 0.000 0.865 339 T HN 0.326 nan 8.240 nan 0.000 0.435 340 L N 1.490 122.682 121.223 -0.051 0.000 2.017 340 L HA 0.041 4.382 4.340 0.003 0.000 0.208 340 L C 2.598 179.473 176.870 0.008 0.000 1.073 340 L CA 1.997 56.850 54.840 0.021 0.000 0.745 340 L CB -1.027 41.058 42.059 0.044 0.000 0.894 340 L HN 0.221 nan 8.230 nan 0.000 0.432 341 A N -1.409 121.385 122.820 -0.044 0.000 1.933 341 A HA -0.193 4.128 4.320 0.003 0.000 0.218 341 A C 2.380 179.894 177.584 -0.117 0.000 1.175 341 A CA 1.960 53.971 52.037 -0.044 0.000 0.628 341 A CB -0.982 18.035 19.000 0.027 0.000 0.814 341 A HN 0.551 nan 8.150 nan 0.000 0.444 342 S N -0.247 115.412 115.700 -0.069 0.000 2.370 342 S HA -0.201 4.271 4.470 0.003 0.000 0.226 342 S C 1.987 176.565 174.600 -0.036 0.000 1.033 342 S CA 1.924 60.111 58.200 -0.021 0.000 1.011 342 S CB -0.436 62.889 63.200 0.208 0.000 0.852 342 S HN 0.612 nan 8.310 nan 0.000 0.457 343 M N 0.662 120.268 119.600 0.009 0.000 2.213 343 M HA -0.027 4.455 4.480 0.003 0.000 0.263 343 M C 1.823 178.162 176.300 0.065 0.000 1.062 343 M CA 1.188 56.525 55.300 0.062 0.000 1.105 343 M CB -0.549 32.084 32.600 0.055 0.000 1.385 343 M HN 0.239 nan 8.290 nan 0.000 0.417 344 L N -0.447 120.771 121.223 -0.008 0.000 2.217 344 L HA 0.014 4.356 4.340 0.003 0.000 0.211 344 L C 1.539 178.332 176.870 -0.129 0.000 1.107 344 L CA 0.767 55.599 54.840 -0.014 0.000 0.783 344 L CB -0.766 41.294 42.059 0.000 0.000 0.919 344 L HN 0.619 nan 8.230 nan 0.000 0.442 345 G N -0.038 108.549 108.800 -0.355 0.000 2.147 345 G HA2 -0.309 3.653 3.960 0.003 0.000 0.244 345 G HA3 -0.309 3.653 3.960 0.003 0.000 0.244 345 G C 0.573 175.102 174.900 -0.619 0.000 1.005 345 G CA 0.425 45.116 45.100 -0.683 0.000 0.713 345 G HN 0.499 nan 8.290 nan 0.000 0.515 346 Q N -0.799 118.730 119.800 -0.452 0.000 2.247 346 Q HA 0.390 4.731 4.340 0.003 0.000 0.204 346 Q C 1.151 177.006 176.000 -0.243 0.000 0.872 346 Q CA -0.299 55.345 55.803 -0.265 0.000 0.951 346 Q CB 0.802 29.453 28.738 -0.145 0.000 1.099 346 Q HN 0.701 nan 8.270 nan 0.000 0.501 347 I N 0.979 121.336 120.570 -0.356 0.000 2.683 347 I HA -0.044 4.127 4.170 0.003 0.000 0.286 347 I C 1.222 177.318 176.117 -0.034 0.000 1.175 347 I CA 1.029 62.239 61.300 -0.151 0.000 1.429 347 I CB 0.462 38.402 38.000 -0.099 0.000 1.371 347 I HN 0.454 nan 8.210 nan 0.000 0.569 348 G N 5.159 113.972 108.800 0.022 0.000 2.195 348 G HA2 -0.223 3.738 3.960 0.003 0.000 0.246 348 G HA3 -0.223 3.738 3.960 0.003 0.000 0.246 348 G C 0.068 174.952 174.900 -0.026 0.000 0.984 348 G CA -0.471 44.660 45.100 0.052 0.000 0.633 348 G HN 0.448 nan 8.290 nan 0.000 0.525 349 L N 1.672 122.863 121.223 -0.053 0.000 2.360 349 L HA 0.485 4.826 4.340 0.003 0.000 0.271 349 L C -1.798 175.033 176.870 -0.065 0.000 1.057 349 L CA -2.366 52.441 54.840 -0.054 0.000 0.803 349 L CB 1.144 43.170 42.059 -0.054 0.000 1.207 349 L HN -0.129 nan 8.230 nan 0.000 0.445 350 P HA 0.073 nan 4.420 nan 0.000 0.266 350 P C 0.694 177.966 177.300 -0.048 0.000 1.215 350 P CA 0.534 63.603 63.100 -0.053 0.000 0.763 350 P CB 0.854 32.535 31.700 -0.032 0.000 0.806 351 G N 2.182 110.948 108.800 -0.056 0.000 2.199 351 G HA2 -0.154 3.808 3.960 0.003 0.000 0.254 351 G HA3 -0.154 3.808 3.960 0.003 0.000 0.254 351 G C 0.455 175.309 174.900 -0.077 0.000 0.982 351 G CA -0.065 44.999 45.100 -0.061 0.000 0.632 351 G HN 0.906 nan 8.290 nan 0.000 0.529 352 G N -1.776 106.979 108.800 -0.076 0.000 2.597 352 G HA2 0.873 4.834 3.960 0.003 0.000 0.317 352 G HA3 0.873 4.834 3.960 0.003 0.000 0.317 352 G C 0.814 175.666 174.900 -0.081 0.000 1.230 352 G CA 0.974 46.025 45.100 -0.082 0.000 0.996 352 G HN 1.879 nan 8.290 nan 0.000 0.490 353 G N -0.954 107.806 108.800 -0.067 0.000 2.709 353 G HA2 0.367 4.329 3.960 0.003 0.000 0.228 353 G HA3 0.367 4.329 3.960 0.003 0.000 0.228 353 G C -0.204 174.759 174.900 0.106 0.000 1.215 353 G CA 0.400 45.493 45.100 -0.013 0.000 1.003 353 G HN 2.061 nan 8.290 nan 0.000 0.584 354 F N -1.104 118.842 119.950 -0.006 0.000 2.662 354 F HA 0.837 5.366 4.527 0.003 0.000 0.312 354 F C 0.058 175.913 175.800 0.091 0.000 1.113 354 F CA -0.443 57.576 58.000 0.031 0.000 0.951 354 F CB 1.605 40.618 39.000 0.022 0.000 1.344 354 F HN 1.508 nan 8.300 nan 0.000 0.462 355 G N 1.070 110.016 108.800 0.242 0.000 2.753 355 G HA2 0.519 4.480 3.960 0.003 0.000 0.295 355 G HA3 0.519 4.480 3.960 0.003 0.000 0.295 355 G C -1.145 173.864 174.900 0.183 0.000 1.437 355 G CA -0.875 44.248 45.100 0.039 0.000 1.094 355 G HN 0.853 nan 8.290 nan 0.000 0.540 356 L N 1.138 122.451 121.223 0.149 0.000 2.769 356 L HA 0.323 4.664 4.340 0.003 0.000 0.240 356 L C 1.480 178.544 176.870 0.323 0.000 1.163 356 L CA 0.112 55.129 54.840 0.295 0.000 0.962 356 L CB 1.073 43.298 42.059 0.277 0.000 1.258 356 L HN 0.515 nan 8.230 nan 0.000 0.513 357 S N -1.560 114.149 115.700 0.014 0.000 3.021 357 S HA 0.237 4.708 4.470 0.003 0.000 0.252 357 S C 0.837 175.301 174.600 -0.227 0.000 0.996 357 S CA -0.451 57.697 58.200 -0.086 0.000 1.084 357 S CB 0.112 63.331 63.200 0.032 0.000 1.021 357 S HN 0.315 nan 8.310 nan 0.000 0.566 358 Y N 1.113 121.437 120.300 0.039 0.000 2.561 358 Y HA 0.027 4.579 4.550 0.003 0.000 0.291 358 Y C 2.361 178.394 175.900 0.222 0.000 1.141 358 Y CA 1.227 59.366 58.100 0.064 0.000 1.303 358 Y CB 0.080 38.570 38.460 0.050 0.000 1.015 358 Y HN 0.619 nan 8.280 nan 0.000 0.547 359 H N -2.907 116.267 119.070 0.174 0.000 2.586 359 H HA 0.096 4.653 4.556 0.003 0.000 0.273 359 H C -0.833 174.536 175.328 0.069 0.000 0.997 359 H CA -0.093 55.997 56.048 0.069 0.000 1.177 359 H CB -0.367 29.360 29.762 -0.057 0.000 1.471 359 H HN 0.325 nan 8.280 nan 0.000 0.538 360 Y N 1.444 121.410 120.300 -0.557 0.000 2.361 360 Y HA 0.370 4.922 4.550 0.003 0.000 0.337 360 Y C 0.137 176.122 175.900 0.141 0.000 0.965 360 Y CA -0.725 57.199 58.100 -0.293 0.000 1.091 360 Y CB 1.471 39.607 38.460 -0.540 0.000 1.182 360 Y HN 0.180 nan 8.280 nan 0.000 0.450 361 S N 4.051 119.545 115.700 -0.344 0.000 3.486 361 S HA -0.221 4.251 4.470 0.003 0.000 0.371 361 S C 1.085 175.813 174.600 0.212 0.000 1.001 361 S CA 1.452 59.551 58.200 -0.168 0.000 1.164 361 S CB -1.805 61.113 63.200 -0.471 0.000 0.911 361 S HN 2.076 nan 8.310 nan 0.000 0.472 362 G N -0.231 108.705 108.800 0.227 0.000 2.179 362 G HA2 -0.136 3.825 3.960 0.003 0.000 0.257 362 G HA3 -0.136 3.825 3.960 0.003 0.000 0.257 362 G C 0.480 175.557 174.900 0.296 0.000 1.010 362 G CA 0.243 45.529 45.100 0.310 0.000 0.736 362 G HN 1.730 nan 8.290 nan 0.000 0.513 363 G N -1.095 107.732 108.800 0.045 0.000 2.138 363 G HA2 0.450 4.412 3.960 0.003 0.000 0.244 363 G HA3 0.450 4.412 3.960 0.003 0.000 0.244 363 G C 1.529 176.257 174.900 -0.287 0.000 1.166 363 G CA 1.606 46.350 45.100 -0.593 0.000 0.902 363 G HN 1.975 nan 8.290 nan 0.000 0.460 364 G N 1.550 110.166 108.800 -0.308 0.000 2.213 364 G HA2 -0.248 3.714 3.960 0.003 0.000 0.236 364 G HA3 -0.248 3.714 3.960 0.003 0.000 0.236 364 G C 0.629 175.635 174.900 0.176 0.000 0.991 364 G CA 0.422 45.407 45.100 -0.191 0.000 0.629 364 G HN 1.163 nan 8.290 nan 0.000 0.517 365 T N 4.130 118.883 114.554 0.332 0.000 2.834 365 T HA 0.463 4.814 4.350 0.003 0.000 0.298 365 T C -2.100 172.749 174.700 0.249 0.000 0.966 365 T CA -0.321 62.010 62.100 0.385 0.000 1.141 365 T CB 1.356 70.429 68.868 0.341 0.000 0.905 365 T HN 0.132 nan 8.240 nan 0.000 0.535 366 P HA 0.047 nan 4.420 nan 0.000 0.261 366 P C -0.373 177.013 177.300 0.145 0.000 1.173 366 P CA 0.122 63.326 63.100 0.173 0.000 0.760 366 P CB 0.306 32.108 31.700 0.169 0.000 0.783 367 S N 1.578 117.337 115.700 0.098 0.000 2.565 367 S HA 0.305 4.777 4.470 0.003 0.000 0.276 367 S C 0.817 175.468 174.600 0.085 0.000 1.326 367 S CA -0.420 57.827 58.200 0.079 0.000 1.045 367 S CB 0.114 63.314 63.200 -0.000 0.000 0.918 367 S HN 0.581 nan 8.310 nan 0.000 0.505 368 T N -0.287 114.333 114.554 0.111 0.000 2.770 368 T HA 0.253 4.605 4.350 0.003 0.000 0.281 368 T C 1.168 175.898 174.700 0.050 0.000 0.981 368 T CA -0.316 61.855 62.100 0.119 0.000 0.955 368 T CB 0.530 69.531 68.868 0.222 0.000 1.060 368 T HN 0.485 nan 8.240 nan 0.000 0.531 369 S N -1.241 114.477 115.700 0.030 0.000 2.605 369 S HA 0.331 4.803 4.470 0.003 0.000 0.217 369 S C 1.216 175.718 174.600 -0.163 0.000 0.958 369 S CA -0.446 57.729 58.200 -0.042 0.000 0.919 369 S CB -0.733 62.454 63.200 -0.021 0.000 0.780 369 S HN 1.112 nan 8.310 nan 0.000 0.507 370 G N 3.241 111.878 108.800 -0.272 0.000 2.664 370 G HA2 0.420 4.382 3.960 0.003 0.000 0.242 370 G HA3 0.420 4.382 3.960 0.003 0.000 0.242 370 G C -2.337 172.201 174.900 -0.604 0.000 1.225 370 G CA -1.020 43.565 45.100 -0.858 0.000 0.849 370 G HN 0.294 nan 8.290 nan 0.000 0.581 371 P HA 0.407 nan 4.420 nan 0.000 0.276 371 P C -0.202 176.963 177.300 -0.224 0.000 1.261 371 P CA -0.296 62.595 63.100 -0.348 0.000 0.800 371 P CB 1.047 32.561 31.700 -0.311 0.000 1.066 372 A N 1.029 123.766 122.820 -0.139 0.000 2.351 372 A HA 0.446 4.767 4.320 0.003 0.000 0.257 372 A C -0.415 177.129 177.584 -0.067 0.000 1.087 372 A CA -0.224 51.763 52.037 -0.084 0.000 0.798 372 A CB -0.373 18.579 19.000 -0.079 0.000 1.033 372 A HN 0.578 nan 8.150 nan 0.000 0.488 373 L N 1.361 122.560 121.223 -0.041 0.000 2.356 373 L HA 0.791 5.132 4.340 0.003 0.000 0.277 373 L C -0.002 176.821 176.870 -0.079 0.000 0.996 373 L CA -0.002 54.820 54.840 -0.031 0.000 0.822 373 L CB 1.439 43.511 42.059 0.021 0.000 1.256 373 L HN 0.938 nan 8.230 nan 0.000 0.413 374 A N 2.921 125.675 122.820 -0.110 0.000 2.350 374 A HA 0.981 5.303 4.320 0.003 0.000 0.318 374 A C -0.166 177.120 177.584 -0.496 0.000 1.132 374 A CA 0.025 51.936 52.037 -0.210 0.000 0.811 374 A CB 1.347 20.264 19.000 -0.140 0.000 1.313 374 A HN 0.966 nan 8.150 nan 0.000 0.454 375 G N -0.800 107.601 108.800 -0.664 0.000 3.262 375 G HA2 0.528 4.489 3.960 0.003 0.000 0.229 375 G HA3 0.528 4.489 3.960 0.003 0.000 0.229 375 G C -0.443 173.915 174.900 -0.902 0.000 1.280 375 G CA -0.737 43.544 45.100 -1.365 0.000 0.951 375 G HN 0.902 nan 8.290 nan 0.000 0.589 376 I N 0.958 121.107 120.570 -0.702 0.000 2.813 376 I HA 0.339 4.511 4.170 0.003 0.000 0.287 376 I C 1.098 177.034 176.117 -0.301 0.000 1.196 376 I CA 0.095 61.164 61.300 -0.384 0.000 1.421 376 I CB 1.109 38.781 38.000 -0.546 0.000 1.365 376 I HN 0.672 nan 8.210 nan 0.000 0.591 377 T N 1.324 115.747 114.554 -0.218 0.000 2.938 377 T HA 0.326 4.678 4.350 0.003 0.000 0.285 377 T C 0.416 175.010 174.700 -0.178 0.000 1.028 377 T CA -0.222 61.779 62.100 -0.164 0.000 1.005 377 T CB 1.440 70.253 68.868 -0.092 0.000 1.157 377 T HN 0.659 nan 8.240 nan 0.000 0.550 378 D N -1.075 119.245 120.400 -0.135 0.000 2.355 378 D HA 0.187 4.829 4.640 0.003 0.000 0.218 378 D C 1.605 177.856 176.300 -0.081 0.000 1.004 378 D CA 0.579 54.504 54.000 -0.125 0.000 0.880 378 D CB -0.807 39.938 40.800 -0.091 0.000 0.911 378 D HN 1.248 nan 8.370 nan 0.000 0.528 379 G N -0.310 108.452 108.800 -0.064 0.000 2.160 379 G HA2 -0.186 3.776 3.960 0.003 0.000 0.251 379 G HA3 -0.186 3.776 3.960 0.003 0.000 0.251 379 G C 0.733 175.623 174.900 -0.017 0.000 1.008 379 G CA 0.159 45.238 45.100 -0.033 0.000 0.724 379 G HN 0.769 nan 8.290 nan 0.000 0.514 395 S N -0.050 115.686 115.700 0.060 0.000 2.524 395 S HA 0.454 4.926 4.470 0.003 0.000 0.215 395 S C 0.206 174.825 174.600 0.031 0.000 0.986 395 S CA 0.614 58.823 58.200 0.015 0.000 0.911 395 S CB 0.010 63.179 63.200 -0.052 0.000 0.805 395 S HN 1.384 nan 8.310 nan 0.000 0.501 396 V N 2.667 122.628 119.914 0.079 0.000 2.760 396 V HA 0.613 4.735 4.120 0.003 0.000 0.309 396 V C -0.629 175.540 176.094 0.125 0.000 1.077 396 V CA -1.038 61.313 62.300 0.085 0.000 0.910 396 V CB 1.761 33.617 31.823 0.056 0.000 1.008 396 V HN 0.525 nan 8.190 nan 0.000 0.424 397 I N 1.799 122.424 120.570 0.092 0.000 2.892 397 I HA 0.785 4.956 4.170 0.003 0.000 0.306 397 I C -2.868 173.152 176.117 -0.161 0.000 1.078 397 I CA -2.937 58.352 61.300 -0.018 0.000 1.032 397 I CB 2.409 40.416 38.000 0.012 0.000 1.229 397 I HN 0.343 nan 8.210 nan 0.000 0.435 398 P HA 0.035 nan 4.420 nan 0.000 0.268 398 P C 1.175 178.374 177.300 -0.169 0.000 1.204 398 P CA -0.399 62.431 63.100 -0.451 0.000 0.768 398 P CB 0.841 32.153 31.700 -0.647 0.000 0.842 399 V N 2.114 121.988 119.914 -0.066 0.000 2.282 399 V HA -0.313 3.809 4.120 0.003 0.000 0.249 399 V C 2.064 178.192 176.094 0.056 0.000 1.057 399 V CA 2.275 64.626 62.300 0.085 0.000 1.032 399 V CB -2.358 29.537 31.823 0.119 0.000 0.645 399 V HN 0.538 nan 8.190 nan 0.000 0.447 400 A N -0.006 122.726 122.820 -0.147 0.000 2.172 400 A HA -0.031 4.291 4.320 0.003 0.000 0.216 400 A C 2.060 179.647 177.584 0.005 0.000 1.154 400 A CA 0.927 52.870 52.037 -0.156 0.000 0.701 400 A CB -0.462 18.267 19.000 -0.452 0.000 0.789 400 A HN 0.541 nan 8.150 nan 0.000 0.465 401 R N -0.508 119.945 120.500 -0.077 0.000 2.356 401 R HA 0.098 4.440 4.340 0.003 0.000 0.234 401 R C 1.498 177.646 176.300 -0.255 0.000 0.929 401 R CA 0.463 56.481 56.100 -0.135 0.000 1.084 401 R CB -0.917 29.290 30.300 -0.155 0.000 1.105 401 R HN 0.392 nan 8.270 nan 0.000 0.515 402 V N 0.585 120.371 119.914 -0.213 0.000 2.324 402 V HA -0.241 3.881 4.120 0.003 0.000 0.250 402 V C 1.995 177.825 176.094 -0.439 0.000 1.060 402 V CA 1.814 63.867 62.300 -0.410 0.000 1.042 402 V CB -0.007 31.597 31.823 -0.366 0.000 0.650 402 V HN 0.088 nan 8.190 nan 0.000 0.450 403 V N 0.021 119.740 119.914 -0.326 0.000 2.453 403 V HA -0.156 3.966 4.120 0.003 0.000 0.247 403 V C 2.348 178.254 176.094 -0.313 0.000 1.048 403 V CA 2.127 64.271 62.300 -0.260 0.000 1.049 403 V CB -0.719 31.033 31.823 -0.117 0.000 0.672 403 V HN 0.581 nan 8.190 nan 0.000 0.457 404 D N -0.278 119.914 120.400 -0.347 0.000 2.123 404 D HA -0.241 4.401 4.640 0.003 0.000 0.196 404 D C 2.065 177.809 176.300 -0.926 0.000 0.992 404 D CA 1.814 55.533 54.000 -0.469 0.000 0.833 404 D CB -0.180 40.394 40.800 -0.376 0.000 0.954 404 D HN 0.419 nan 8.370 nan 0.000 0.455 405 M N 0.099 118.977 119.600 -1.203 0.000 2.117 405 M HA -0.148 4.334 4.480 0.003 0.000 0.262 405 M C 2.016 177.939 176.300 -0.628 0.000 1.065 405 M CA 1.261 55.787 55.300 -1.290 0.000 1.114 405 M CB 0.008 32.120 32.600 -0.813 0.000 1.361 405 M HN -0.039 nan 8.290 nan 0.000 0.408 406 L N -0.111 120.812 121.223 -0.500 0.000 2.093 406 L HA -0.163 4.179 4.340 0.003 0.000 0.208 406 L C 2.143 178.853 176.870 -0.266 0.000 1.085 406 L CA 1.311 55.931 54.840 -0.367 0.000 0.755 406 L CB -0.659 41.163 42.059 -0.395 0.000 0.904 406 L HN 0.379 nan 8.230 nan 0.000 0.435 407 E N -0.047 119.997 120.200 -0.260 0.000 2.208 407 E HA -0.053 4.298 4.350 0.003 0.000 0.193 407 E C 0.255 176.779 176.600 -0.127 0.000 0.988 407 E CA 0.545 56.845 56.400 -0.165 0.000 0.828 407 E CB 0.182 29.799 29.700 -0.139 0.000 0.763 407 E HN 0.430 nan 8.360 nan 0.000 0.478 408 N N 1.231 119.834 118.700 -0.162 0.000 2.723 408 N HA 0.156 4.898 4.740 0.003 0.000 0.290 408 N C -2.784 172.759 175.510 0.054 0.000 1.882 408 N CA -0.966 52.064 53.050 -0.033 0.000 0.851 408 N CB 1.307 39.820 38.487 0.044 0.000 1.234 408 N HN 0.025 nan 8.380 nan 0.000 0.491 409 P HA 0.056 nan 4.420 nan 0.000 0.265 409 P C 1.087 178.457 177.300 0.117 0.000 1.193 409 P CA 0.976 64.114 63.100 0.064 0.000 0.765 409 P CB 0.754 32.455 31.700 0.002 0.000 0.823 410 G N 1.751 110.647 108.800 0.160 0.000 2.234 410 G HA2 -0.238 3.724 3.960 0.003 0.000 0.260 410 G HA3 -0.238 3.724 3.960 0.003 0.000 0.260 410 G C 0.441 175.423 174.900 0.136 0.000 0.987 410 G CA 0.221 45.396 45.100 0.124 0.000 0.625 410 G HN 0.899 nan 8.290 nan 0.000 0.532 411 A N 0.132 123.080 122.820 0.214 0.000 2.351 411 A HA 0.635 4.957 4.320 0.003 0.000 0.257 411 A C 0.412 178.066 177.584 0.117 0.000 1.087 411 A CA 0.044 52.192 52.037 0.186 0.000 0.798 411 A CB 0.388 19.537 19.000 0.248 0.000 1.033 411 A HN 0.446 nan 8.150 nan 0.000 0.488 412 E N -0.188 120.034 120.200 0.036 0.000 2.313 412 E HA 0.501 4.853 4.350 0.003 0.000 0.272 412 E C -1.132 175.420 176.600 -0.081 0.000 1.038 412 E CA 0.086 56.434 56.400 -0.087 0.000 0.863 412 E CB 1.045 30.696 29.700 -0.082 0.000 1.060 412 E HN 0.526 nan 8.360 nan 0.000 0.402 413 F N -0.733 119.024 119.950 -0.322 0.000 2.613 413 F HA 0.488 5.016 4.527 0.003 0.000 0.310 413 F C -0.765 174.952 175.800 -0.138 0.000 1.085 413 F CA -1.276 56.563 58.000 -0.269 0.000 0.945 413 F CB 1.260 39.961 39.000 -0.498 0.000 1.298 413 F HN 0.084 nan 8.300 nan 0.000 0.455 414 D N 1.893 122.305 120.400 0.020 0.000 2.175 414 D HA 0.398 5.040 4.640 0.003 0.000 0.248 414 D C -1.639 174.795 176.300 0.223 0.000 1.047 414 D CA 0.180 54.182 54.000 0.004 0.000 0.883 414 D CB 2.305 43.069 40.800 -0.060 0.000 1.180 414 D HN 0.577 nan 8.370 nan 0.000 0.438 415 F N 2.612 122.586 119.950 0.041 0.000 2.653 415 F HA 0.178 4.706 4.527 0.003 0.000 0.327 415 F C 0.121 176.003 175.800 0.136 0.000 1.195 415 F CA -0.862 57.210 58.000 0.119 0.000 0.993 415 F CB 0.688 39.830 39.000 0.236 0.000 1.259 415 F HN 0.200 nan 8.300 nan 0.000 0.478 416 N N 4.155 122.629 118.700 -0.377 0.000 2.716 416 N HA -0.180 4.562 4.740 0.003 0.000 0.250 416 N C 0.844 176.306 175.510 -0.081 0.000 1.033 416 N CA 2.073 54.921 53.050 -0.337 0.000 0.727 416 N CB -0.966 37.024 38.487 -0.827 0.000 0.950 416 N HN 1.683 nan 8.380 nan 0.000 0.541 417 G N -2.726 106.127 108.800 0.087 0.000 2.232 417 G HA2 -0.216 3.746 3.960 0.003 0.000 0.226 417 G HA3 -0.216 3.746 3.960 0.003 0.000 0.226 417 G C 0.140 175.042 174.900 0.002 0.000 0.996 417 G CA 0.930 46.015 45.100 -0.025 0.000 0.626 417 G HN 1.447 nan 8.290 nan 0.000 0.509 418 T N -0.740 113.833 114.554 0.031 0.000 2.863 418 T HA 0.697 5.048 4.350 0.003 0.000 0.285 418 T C -0.307 174.357 174.700 -0.060 0.000 1.009 418 T CA -0.586 61.509 62.100 -0.009 0.000 0.989 418 T CB 1.980 70.839 68.868 -0.015 0.000 1.004 418 T HN 0.318 nan 8.240 nan 0.000 0.455 419 R N 2.823 123.250 120.500 -0.121 0.000 2.265 419 R HA 0.663 5.004 4.340 0.003 0.000 0.319 419 R C -0.537 175.549 176.300 -0.356 0.000 1.006 419 R CA -0.387 55.571 56.100 -0.237 0.000 0.880 419 R CB 1.610 31.822 30.300 -0.148 0.000 1.077 419 R HN 0.828 nan 8.270 nan 0.000 0.454 420 S N 1.792 117.077 115.700 -0.691 0.000 2.806 420 S HA 0.517 4.988 4.470 0.003 0.000 0.306 420 S C -1.017 173.212 174.600 -0.619 0.000 1.167 420 S CA -0.884 56.957 58.200 -0.599 0.000 0.847 420 S CB 2.241 65.093 63.200 -0.581 0.000 1.216 420 S HN 0.371 nan 8.310 nan 0.000 0.532 421 K N 0.456 120.693 120.400 -0.271 0.000 2.316 421 K HA 0.496 4.818 4.320 0.003 0.000 0.251 421 K C -1.427 175.254 176.600 0.135 0.000 0.934 421 K CA -0.387 55.855 56.287 -0.076 0.000 0.802 421 K CB 1.299 33.793 32.500 -0.010 0.000 1.171 421 K HN 0.437 nan 8.250 nan 0.000 0.426 422 F N 4.384 124.511 119.950 0.296 0.000 2.495 422 F HA 0.110 4.638 4.527 0.003 0.000 0.365 422 F C -1.342 174.510 175.800 0.087 0.000 1.090 422 F CA -1.407 56.700 58.000 0.178 0.000 1.235 422 F CB 0.385 39.414 39.000 0.049 0.000 1.119 422 F HN 0.310 nan 8.300 nan 0.000 0.562 423 P HA -0.079 nan 4.420 nan 0.000 0.271 423 P C -0.812 176.543 177.300 0.091 0.000 1.233 423 P CA -0.206 62.985 63.100 0.151 0.000 0.789 423 P CB 0.750 32.534 31.700 0.139 0.000 0.951 424 D N 1.004 121.430 120.400 0.044 0.000 2.499 424 D HA 0.194 4.836 4.640 0.003 0.000 0.225 424 D C -0.583 175.666 176.300 -0.086 0.000 1.124 424 D CA -0.431 53.554 54.000 -0.025 0.000 0.938 424 D CB -0.311 40.480 40.800 -0.016 0.000 1.014 424 D HN -0.102 nan 8.370 nan 0.000 0.517 425 V N 4.747 124.599 119.914 -0.103 0.000 2.530 425 V HA 0.139 4.261 4.120 0.003 0.000 0.282 425 V C 1.382 177.360 176.094 -0.193 0.000 1.048 425 V CA -0.037 62.196 62.300 -0.112 0.000 0.997 425 V CB 1.604 33.365 31.823 -0.104 0.000 0.987 425 V HN 0.369 nan 8.190 nan 0.000 0.477 426 K N 3.247 123.535 120.400 -0.186 0.000 2.399 426 K HA 0.352 4.674 4.320 0.003 0.000 0.196 426 K C 0.140 176.705 176.600 -0.059 0.000 1.117 426 K CA 0.402 56.563 56.287 -0.210 0.000 0.965 426 K CB 0.665 32.923 32.500 -0.403 0.000 0.983 426 K HN 0.635 nan 8.250 nan 0.000 0.531 427 M N 0.463 120.077 119.600 0.023 0.000 2.464 427 M HA 0.537 5.019 4.480 0.003 0.000 0.308 427 M C -1.839 174.557 176.300 0.160 0.000 1.127 427 M CA -0.643 54.722 55.300 0.109 0.000 0.913 427 M CB 2.325 35.028 32.600 0.170 0.000 1.689 427 M HN -0.008 nan 8.290 nan 0.000 0.445 428 A N 3.781 126.751 122.820 0.251 0.000 2.356 428 A HA 0.575 4.896 4.320 0.003 0.000 0.310 428 A C -2.317 175.612 177.584 0.575 0.000 1.075 428 A CA -0.413 51.879 52.037 0.425 0.000 0.746 428 A CB 0.905 20.150 19.000 0.408 0.000 1.221 428 A HN 0.920 nan 8.150 nan 0.000 0.443 429 Y N 2.455 122.952 120.300 0.329 0.000 2.326 429 Y HA 0.496 5.048 4.550 0.003 0.000 0.331 429 Y C -1.070 174.954 175.900 0.206 0.000 0.962 429 Y CA -0.697 57.543 58.100 0.234 0.000 1.167 429 Y CB 1.066 39.581 38.460 0.092 0.000 1.148 429 Y HN 0.734 nan 8.280 nan 0.000 0.463 430 W N 7.902 129.475 121.300 0.456 0.000 2.600 430 W HA 0.576 5.238 4.660 0.003 0.000 0.325 430 W C -1.610 175.048 176.519 0.232 0.000 1.034 430 W CA -0.754 56.809 57.345 0.362 0.000 1.226 430 W CB 1.724 31.454 29.460 0.451 0.000 1.379 430 W HN 0.421 nan 8.180 nan 0.000 0.466 431 V N 1.491 121.622 119.914 0.363 0.000 2.925 431 V HA 0.878 5.000 4.120 0.003 0.000 0.311 431 V C 0.406 176.682 176.094 0.304 0.000 1.104 431 V CA -0.287 62.172 62.300 0.265 0.000 0.954 431 V CB 1.250 33.144 31.823 0.120 0.000 1.022 431 V HN 1.037 nan 8.190 nan 0.000 0.427 432 G N 1.403 110.361 108.800 0.263 0.000 2.225 432 G HA2 0.233 4.195 3.960 0.003 0.000 0.267 432 G HA3 0.233 4.195 3.960 0.003 0.000 0.267 432 G C 0.627 175.730 174.900 0.337 0.000 1.024 432 G CA 0.506 45.753 45.100 0.246 0.000 0.784 432 G HN 2.358 nan 8.290 nan 0.000 0.507 433 G N -1.289 107.774 108.800 0.438 0.000 2.660 433 G HA2 0.574 4.536 3.960 0.003 0.000 0.290 433 G HA3 0.574 4.536 3.960 0.003 0.000 0.290 433 G C -1.174 173.877 174.900 0.252 0.000 1.432 433 G CA -0.128 45.278 45.100 0.510 0.000 0.807 433 G HN 0.690 nan 8.290 nan 0.000 0.485 434 N N 0.618 119.424 118.700 0.177 0.000 2.726 434 N HA 0.347 5.088 4.740 0.003 0.000 0.253 434 N C -1.684 173.547 175.510 -0.465 0.000 1.530 434 N CA -1.752 51.238 53.050 -0.100 0.000 0.772 434 N CB 2.228 40.723 38.487 0.015 0.000 1.220 434 N HN 0.136 nan 8.380 nan 0.000 0.508 435 P HA -0.065 nan 4.420 nan 0.000 0.220 435 P C 0.827 177.505 177.300 -1.036 0.000 1.148 435 P CA 0.805 62.984 63.100 -1.535 0.000 0.803 435 P CB 0.021 30.799 31.700 -1.537 0.000 0.782 436 F N -0.892 118.614 119.950 -0.741 0.000 2.769 436 F HA 0.013 4.542 4.527 0.003 0.000 0.304 436 F C 1.969 177.541 175.800 -0.380 0.000 1.158 436 F CA 0.494 58.130 58.000 -0.607 0.000 1.398 436 F CB -0.129 38.537 39.000 -0.557 0.000 1.094 436 F HN -0.235 nan 8.300 nan 0.000 0.553 437 V N -1.594 118.193 119.914 -0.211 0.000 3.103 437 V HA -0.107 4.015 4.120 0.003 0.000 0.229 437 V C 2.225 178.272 176.094 -0.079 0.000 1.304 437 V CA 0.748 63.012 62.300 -0.061 0.000 1.298 437 V CB -0.376 31.497 31.823 0.083 0.000 1.093 437 V HN 0.381 nan 8.190 nan 0.000 0.489 438 H N -0.223 118.762 119.070 -0.141 0.000 2.495 438 H HA -0.018 4.539 4.556 0.003 0.000 0.287 438 H C 1.020 176.202 175.328 -0.243 0.000 1.033 438 H CA 0.687 56.607 56.048 -0.213 0.000 1.307 438 H CB 0.084 29.646 29.762 -0.333 0.000 1.401 438 H HN 0.518 nan 8.280 nan 0.000 0.555 439 H N 1.363 120.285 119.070 -0.246 0.000 2.511 439 H HA 0.181 4.738 4.556 0.003 0.000 0.346 439 H C -0.327 174.933 175.328 -0.113 0.000 1.128 439 H CA -0.470 55.526 56.048 -0.088 0.000 1.342 439 H CB 1.085 30.664 29.762 -0.306 0.000 1.470 439 H HN 0.198 nan 8.280 nan 0.000 0.546 440 Q N 1.635 121.054 119.800 -0.636 0.000 2.306 440 Q HA 0.177 4.519 4.340 0.003 0.000 0.241 440 Q C -0.466 175.391 176.000 -0.239 0.000 0.948 440 Q CA -0.114 55.478 55.803 -0.351 0.000 0.886 440 Q CB 0.485 29.038 28.738 -0.308 0.000 1.227 440 Q HN 0.739 nan 8.270 nan 0.000 0.457 441 D N 0.537 120.834 120.400 -0.171 0.000 3.082 441 D HA -0.189 4.453 4.640 0.003 0.000 0.234 441 D C 0.614 176.819 176.300 -0.158 0.000 1.159 441 D CA 0.259 54.178 54.000 -0.136 0.000 0.875 441 D CB -0.159 40.580 40.800 -0.102 0.000 0.946 441 D HN 0.626 nan 8.370 nan 0.000 0.411 442 R N 1.755 122.117 120.500 -0.230 0.000 2.113 442 R HA -0.137 4.205 4.340 0.003 0.000 0.244 442 R C 1.904 178.057 176.300 -0.245 0.000 1.142 442 R CA 2.321 58.211 56.100 -0.350 0.000 0.953 442 R CB -0.244 29.708 30.300 -0.580 0.000 0.860 442 R HN 0.415 nan 8.270 nan 0.000 0.438 443 N N 0.174 118.790 118.700 -0.139 0.000 2.120 443 N HA -0.195 4.547 4.740 0.003 0.000 0.188 443 N C 1.766 177.245 175.510 -0.051 0.000 1.024 443 N CA 1.461 54.479 53.050 -0.054 0.000 0.852 443 N CB -0.370 38.109 38.487 -0.012 0.000 1.003 443 N HN 0.317 nan 8.380 nan 0.000 0.424 444 R N 0.991 121.453 120.500 -0.063 0.000 2.083 444 R HA -0.060 4.281 4.340 0.003 0.000 0.237 444 R C 2.314 178.580 176.300 -0.058 0.000 1.137 444 R CA 1.259 57.330 56.100 -0.049 0.000 0.951 444 R CB -0.245 30.027 30.300 -0.048 0.000 0.851 444 R HN 0.194 nan 8.270 nan 0.000 0.434 445 M N 0.274 119.808 119.600 -0.110 0.000 2.117 445 M HA -0.137 4.344 4.480 0.003 0.000 0.262 445 M C 1.894 178.107 176.300 -0.145 0.000 1.065 445 M CA 1.599 56.799 55.300 -0.167 0.000 1.114 445 M CB 0.020 32.408 32.600 -0.353 0.000 1.361 445 M HN 0.127 nan 8.290 nan 0.000 0.408 446 V N 1.264 121.092 119.914 -0.143 0.000 2.324 446 V HA -0.302 3.819 4.120 0.003 0.000 0.250 446 V C 2.434 178.594 176.094 0.110 0.000 1.060 446 V CA 2.267 64.577 62.300 0.017 0.000 1.042 446 V CB -0.796 31.068 31.823 0.069 0.000 0.650 446 V HN 0.510 nan 8.190 nan 0.000 0.450 447 K N 0.784 121.221 120.400 0.062 0.000 2.057 447 K HA -0.025 4.297 4.320 0.003 0.000 0.206 447 K C 2.026 178.662 176.600 0.060 0.000 1.050 447 K CA 1.666 57.989 56.287 0.061 0.000 0.935 447 K CB -0.679 31.839 32.500 0.030 0.000 0.715 447 K HN 0.381 nan 8.250 nan 0.000 0.439 448 A N -0.091 122.756 122.820 0.044 0.000 2.015 448 A HA -0.138 4.183 4.320 0.003 0.000 0.219 448 A C 2.016 179.626 177.584 0.043 0.000 1.163 448 A CA 1.010 53.054 52.037 0.012 0.000 0.646 448 A CB -0.990 17.991 19.000 -0.033 0.000 0.806 448 A HN 0.609 nan 8.150 nan 0.000 0.448 449 W N 0.853 122.065 121.300 -0.146 0.000 2.611 449 W HA -0.088 4.574 4.660 0.003 0.000 0.251 449 W C 1.263 177.745 176.519 -0.061 0.000 1.265 449 W CA 1.236 58.499 57.345 -0.136 0.000 1.295 449 W CB 0.060 29.466 29.460 -0.090 0.000 1.129 449 W HN 0.594 nan 8.180 nan 0.000 0.630 450 E N -0.059 120.210 120.200 0.115 0.000 2.409 450 E HA -0.179 4.172 4.350 0.003 0.000 0.198 450 E C 2.028 178.624 176.600 -0.006 0.000 1.024 450 E CA 0.439 56.880 56.400 0.069 0.000 0.861 450 E CB -0.133 29.607 29.700 0.067 0.000 0.788 450 E HN 0.062 nan 8.360 nan 0.000 0.521 451 K N 0.873 121.228 120.400 -0.074 0.000 2.283 451 K HA -0.036 4.285 4.320 0.003 0.000 0.202 451 K C 0.487 176.999 176.600 -0.148 0.000 1.048 451 K CA 0.301 56.517 56.287 -0.118 0.000 0.948 451 K CB 0.012 32.403 32.500 -0.182 0.000 0.742 451 K HN 0.142 nan 8.250 nan 0.000 0.458 452 L N 1.619 122.724 121.223 -0.196 0.000 2.380 452 L HA 0.062 4.403 4.340 0.003 0.000 0.273 452 L C 1.486 178.341 176.870 -0.024 0.000 1.138 452 L CA -0.149 54.584 54.840 -0.178 0.000 0.832 452 L CB 0.929 42.802 42.059 -0.310 0.000 1.124 452 L HN 0.096 nan 8.230 nan 0.000 0.454 453 E N 0.928 121.139 120.200 0.019 0.000 2.072 453 E HA -0.026 4.325 4.350 0.003 0.000 0.190 453 E C -0.175 176.559 176.600 0.224 0.000 0.982 453 E CA 0.943 57.421 56.400 0.130 0.000 0.803 453 E CB 0.259 30.050 29.700 0.151 0.000 0.755 453 E HN 0.611 nan 8.360 nan 0.000 0.453 454 T N 0.320 114.971 114.554 0.161 0.000 2.921 454 T HA 0.363 4.714 4.350 0.003 0.000 0.297 454 T C -1.541 173.250 174.700 0.152 0.000 1.013 454 T CA -0.588 61.573 62.100 0.100 0.000 0.990 454 T CB 1.501 70.454 68.868 0.141 0.000 1.023 454 T HN -0.055 nan 8.240 nan 0.000 0.447 455 F N 4.269 124.160 119.950 -0.099 0.000 2.500 455 F HA 0.643 5.171 4.527 0.003 0.000 0.349 455 F C -1.195 174.572 175.800 -0.055 0.000 1.127 455 F CA -1.442 56.581 58.000 0.037 0.000 0.998 455 F CB 0.692 39.827 39.000 0.225 0.000 1.237 455 F HN 0.295 nan 8.300 nan 0.000 0.439 456 V N 6.349 126.075 119.914 -0.313 0.000 2.435 456 V HA 0.683 4.805 4.120 0.003 0.000 0.290 456 V C -0.490 175.297 176.094 -0.512 0.000 1.030 456 V CA -0.788 61.175 62.300 -0.562 0.000 0.881 456 V CB 1.568 32.823 31.823 -0.948 0.000 0.983 456 V HN 0.502 nan 8.190 nan 0.000 0.445 457 V N 4.126 123.819 119.914 -0.368 0.000 2.709 457 V HA 0.501 4.623 4.120 0.003 0.000 0.308 457 V C -0.781 175.356 176.094 0.071 0.000 1.062 457 V CA -0.664 61.549 62.300 -0.146 0.000 0.901 457 V CB 2.146 33.788 31.823 -0.300 0.000 1.003 457 V HN 0.936 nan 8.190 nan 0.000 0.425 458 H N 2.943 122.017 119.070 0.007 0.000 2.489 458 H HA 0.665 5.223 4.556 0.003 0.000 0.343 458 H C -1.084 174.215 175.328 -0.048 0.000 1.086 458 H CA -0.696 55.338 56.048 -0.022 0.000 1.198 458 H CB 2.391 32.181 29.762 0.046 0.000 1.490 458 H HN 0.631 nan 8.280 nan 0.000 0.504 459 D N 1.852 122.233 120.400 -0.031 0.000 2.692 459 D HA 0.009 4.651 4.640 0.003 0.000 0.290 459 D C -0.579 175.637 176.300 -0.139 0.000 1.281 459 D CA -0.540 53.378 54.000 -0.138 0.000 0.804 459 D CB 1.534 42.181 40.800 -0.255 0.000 1.331 459 D HN 0.444 nan 8.370 nan 0.000 0.432 460 F N -0.524 119.391 119.950 -0.059 0.000 2.678 460 F HA 0.474 5.003 4.527 0.003 0.000 0.305 460 F C 0.456 176.207 175.800 -0.082 0.000 1.090 460 F CA -0.226 57.728 58.000 -0.076 0.000 1.272 460 F CB 0.360 39.356 39.000 -0.006 0.000 1.060 460 F HN -0.095 nan 8.300 nan 0.000 0.576 461 Q N 0.215 119.883 119.800 -0.221 0.000 2.375 461 Q HA 0.153 4.495 4.340 0.003 0.000 0.271 461 Q C -1.610 174.256 176.000 -0.224 0.000 1.074 461 Q CA -0.544 55.231 55.803 -0.046 0.000 0.808 461 Q CB 1.910 30.750 28.738 0.170 0.000 1.327 461 Q HN 0.498 nan 8.270 nan 0.000 0.441 462 W N 3.099 124.340 121.300 -0.098 0.000 1.319 462 W HA 0.030 4.692 4.660 0.003 0.000 0.506 462 W C 0.985 177.171 176.519 -0.555 0.000 0.626 462 W CA -0.058 57.146 57.345 -0.234 0.000 2.268 462 W CB -0.072 29.314 29.460 -0.123 0.000 1.536 462 W HN 0.415 nan 8.180 nan 0.000 0.199 463 T N -1.498 112.710 114.554 -0.577 0.000 2.726 463 T HA 0.117 4.469 4.350 0.003 0.000 0.294 463 T C -1.535 172.872 174.700 -0.488 0.000 1.013 463 T CA -1.277 60.219 62.100 -1.007 0.000 0.996 463 T CB 1.057 69.508 68.868 -0.696 0.000 1.016 463 T HN -0.057 nan 8.240 nan 0.000 0.529 464 P HA -0.048 nan 4.420 nan 0.000 0.218 464 P C 1.582 178.828 177.300 -0.090 0.000 1.148 464 P CA 1.058 64.100 63.100 -0.097 0.000 0.822 464 P CB -0.196 31.539 31.700 0.059 0.000 0.784 465 T N -0.700 113.769 114.554 -0.143 0.000 2.737 465 T HA -0.120 4.232 4.350 0.003 0.000 0.265 465 T C 1.907 176.539 174.700 -0.114 0.000 1.038 465 T CA 1.610 63.644 62.100 -0.110 0.000 1.144 465 T CB -0.982 67.865 68.868 -0.035 0.000 0.866 465 T HN 0.027 nan 8.240 nan 0.000 0.434 466 A N 1.860 124.599 122.820 -0.135 0.000 1.908 466 A HA -0.151 4.170 4.320 0.003 0.000 0.218 466 A C 2.346 180.015 177.584 0.141 0.000 1.181 466 A CA 1.523 53.479 52.037 -0.136 0.000 0.627 466 A CB -0.558 18.232 19.000 -0.350 0.000 0.818 466 A HN 0.405 nan 8.150 nan 0.000 0.445 467 R N -1.533 119.094 120.500 0.212 0.000 2.127 467 R HA -0.153 4.189 4.340 0.003 0.000 0.238 467 R C 1.310 177.647 176.300 0.061 0.000 1.134 467 R CA 1.614 57.858 56.100 0.241 0.000 0.975 467 R CB -0.359 29.945 30.300 0.007 0.000 0.865 467 R HN 0.712 nan 8.270 nan 0.000 0.447 468 H N -0.739 118.238 119.070 -0.155 0.000 2.526 468 H HA 0.284 4.842 4.556 0.003 0.000 0.274 468 H C 0.129 175.500 175.328 0.072 0.000 0.999 468 H CA 0.085 55.991 56.048 -0.237 0.000 1.157 468 H CB 0.404 29.559 29.762 -1.012 0.000 1.407 468 H HN 0.188 nan 8.280 nan 0.000 0.568 469 A N 0.001 122.915 122.820 0.157 0.000 2.287 469 A HA 0.115 4.436 4.320 0.003 0.000 0.273 469 A C 0.763 178.413 177.584 0.111 0.000 1.091 469 A CA -0.405 51.620 52.037 -0.020 0.000 0.817 469 A CB 0.598 19.429 19.000 -0.283 0.000 1.069 469 A HN 0.275 nan 8.150 nan 0.000 0.492 470 D N -0.244 120.132 120.400 -0.040 0.000 2.216 470 D HA 0.131 4.772 4.640 0.003 0.000 0.208 470 D C 0.055 176.267 176.300 -0.147 0.000 0.960 470 D CA 1.457 55.351 54.000 -0.177 0.000 0.861 470 D CB 0.158 40.546 40.800 -0.686 0.000 0.985 470 D HN 0.484 nan 8.370 nan 0.000 0.493 471 I N 0.905 121.354 120.570 -0.201 0.000 2.534 471 I HA 0.205 4.376 4.170 0.003 0.000 0.288 471 I C -1.047 174.951 176.117 -0.198 0.000 1.077 471 I CA -0.711 60.493 61.300 -0.160 0.000 1.051 471 I CB 3.083 40.966 38.000 -0.196 0.000 1.234 471 I HN -0.411 nan 8.210 nan 0.000 0.425 472 V N 7.085 126.878 119.914 -0.203 0.000 2.444 472 V HA 0.483 4.605 4.120 0.003 0.000 0.294 472 V C -0.242 175.641 176.094 -0.352 0.000 1.022 472 V CA -0.474 61.636 62.300 -0.316 0.000 0.850 472 V CB 1.943 33.478 31.823 -0.481 0.000 0.992 472 V HN 0.465 nan 8.190 nan 0.000 0.426 473 L N 7.339 128.370 121.223 -0.320 0.000 2.313 473 L HA 0.543 4.885 4.340 0.003 0.000 0.283 473 L C -2.412 174.289 176.870 -0.282 0.000 1.013 473 L CA -1.789 52.830 54.840 -0.369 0.000 0.816 473 L CB 2.684 44.531 42.059 -0.354 0.000 1.236 473 L HN 0.395 nan 8.230 nan 0.000 0.419 474 P HA 0.212 nan 4.420 nan 0.000 0.281 474 P C -0.690 176.650 177.300 0.066 0.000 1.286 474 P CA -0.145 62.892 63.100 -0.105 0.000 0.772 474 P CB 1.560 33.200 31.700 -0.100 0.000 0.862 475 A N 4.234 127.090 122.820 0.060 0.000 2.271 475 A HA 0.645 4.967 4.320 0.003 0.000 0.288 475 A C 0.685 178.347 177.584 0.130 0.000 1.094 475 A CA -0.264 51.844 52.037 0.119 0.000 0.828 475 A CB 0.011 19.130 19.000 0.199 0.000 1.091 475 A HN 0.582 nan 8.150 nan 0.000 0.493 476 T N -1.050 113.532 114.554 0.047 0.000 2.847 476 T HA 0.563 4.914 4.350 0.003 0.000 0.279 476 T C 0.611 175.198 174.700 -0.189 0.000 0.984 476 T CA 0.112 62.168 62.100 -0.073 0.000 0.988 476 T CB 0.755 69.547 68.868 -0.127 0.000 1.040 476 T HN 1.069 nan 8.240 nan 0.000 0.528 477 T N -1.189 113.074 114.554 -0.484 0.000 2.810 477 T HA 0.290 4.642 4.350 0.003 0.000 0.277 477 T C 1.451 175.789 174.700 -0.603 0.000 0.973 477 T CA -0.547 61.074 62.100 -0.799 0.000 0.949 477 T CB 0.374 68.694 68.868 -0.912 0.000 1.075 477 T HN 0.468 nan 8.240 nan 0.000 0.537 478 S N -0.285 114.926 115.700 -0.815 0.000 2.447 478 S HA -0.028 4.444 4.470 0.003 0.000 0.233 478 S C 1.373 175.610 174.600 -0.605 0.000 1.006 478 S CA 0.830 58.627 58.200 -0.673 0.000 0.957 478 S CB -0.750 62.070 63.200 -0.633 0.000 0.773 478 S HN 0.755 nan 8.310 nan 0.000 0.507 479 Y N 1.166 121.434 120.300 -0.053 0.000 2.583 479 Y HA 0.136 4.687 4.550 0.003 0.000 0.293 479 Y C 1.643 177.518 175.900 -0.042 0.000 1.157 479 Y CA 0.205 58.306 58.100 0.002 0.000 1.315 479 Y CB -0.287 38.239 38.460 0.111 0.000 1.021 479 Y HN 0.269 nan 8.280 nan 0.000 0.536 480 E N 0.873 121.008 120.200 -0.108 0.000 2.499 480 E HA 0.166 4.518 4.350 0.003 0.000 0.199 480 E C 0.163 176.693 176.600 -0.117 0.000 1.016 480 E CA -0.270 56.074 56.400 -0.093 0.000 0.933 480 E CB 0.411 30.034 29.700 -0.128 0.000 1.050 480 E HN 0.397 nan 8.360 nan 0.000 0.462 481 R N -0.952 119.471 120.500 -0.129 0.000 2.741 481 R HA 0.374 4.715 4.340 0.003 0.000 0.274 481 R C -1.259 175.034 176.300 -0.011 0.000 1.029 481 R CA -0.917 55.108 56.100 -0.125 0.000 0.880 481 R CB 0.674 30.733 30.300 -0.401 0.000 1.264 481 R HN -0.189 nan 8.270 nan 0.000 0.465 482 N N 0.192 118.962 118.700 0.116 0.000 2.456 482 N HA 0.393 5.134 4.740 0.003 0.000 0.296 482 N C -1.271 174.437 175.510 0.329 0.000 1.102 482 N CA -0.158 53.040 53.050 0.247 0.000 0.924 482 N CB 1.486 40.153 38.487 0.300 0.000 1.186 482 N HN 0.513 nan 8.380 nan 0.000 0.492 483 D N 0.175 120.785 120.400 0.350 0.000 2.768 483 D HA 0.512 5.153 4.640 0.003 0.000 0.327 483 D C -1.295 175.227 176.300 0.369 0.000 1.302 483 D CA -0.406 53.790 54.000 0.327 0.000 0.897 483 D CB 2.403 43.350 40.800 0.247 0.000 1.420 483 D HN 0.373 nan 8.370 nan 0.000 0.494 484 I N 0.628 121.387 120.570 0.315 0.000 2.752 484 I HA 0.532 4.704 4.170 0.003 0.000 0.295 484 I C -1.888 174.342 176.117 0.188 0.000 1.219 484 I CA -0.353 61.151 61.300 0.341 0.000 1.030 484 I CB 2.071 40.388 38.000 0.529 0.000 1.259 484 I HN 0.298 nan 8.210 nan 0.000 0.423 485 E N 3.531 123.807 120.200 0.126 0.000 2.375 485 E HA 0.427 4.779 4.350 0.003 0.000 0.280 485 E C -1.457 175.162 176.600 0.031 0.000 0.972 485 E CA -0.419 56.003 56.400 0.037 0.000 0.782 485 E CB 2.132 31.811 29.700 -0.036 0.000 1.229 485 E HN 0.552 nan 8.360 nan 0.000 0.439 486 T N 2.924 117.489 114.554 0.019 0.000 2.918 486 T HA 0.384 4.736 4.350 0.003 0.000 0.302 486 T C 0.297 175.000 174.700 0.004 0.000 1.045 486 T CA 0.013 62.135 62.100 0.037 0.000 1.114 486 T CB 0.081 68.973 68.868 0.041 0.000 0.965 486 T HN 0.303 nan 8.240 nan 0.000 0.540 487 I N 2.433 123.010 120.570 0.010 0.000 2.307 487 I HA 0.504 4.676 4.170 0.003 0.000 0.289 487 I C 0.787 176.940 176.117 0.060 0.000 1.021 487 I CA -0.029 61.274 61.300 0.005 0.000 1.224 487 I CB 0.803 38.789 38.000 -0.023 0.000 1.376 487 I HN 0.883 nan 8.210 nan 0.000 0.470 488 G N 4.710 113.543 108.800 0.055 0.000 3.238 488 G HA2 -0.158 3.804 3.960 0.003 0.000 0.684 488 G HA3 -0.158 3.804 3.960 0.003 0.000 0.684 488 G C 0.060 174.990 174.900 0.052 0.000 1.156 488 G CA -0.749 44.404 45.100 0.088 0.000 1.048 488 G HN 0.726 nan 8.290 nan 0.000 0.462 489 D N 0.294 120.689 120.400 -0.008 0.000 2.182 489 D HA -0.130 4.511 4.640 0.003 0.000 0.201 489 D C 1.468 177.571 176.300 -0.328 0.000 0.986 489 D CA 2.054 55.946 54.000 -0.179 0.000 0.847 489 D CB 0.300 40.906 40.800 -0.324 0.000 0.942 489 D HN 0.706 nan 8.370 nan 0.000 0.467 490 Y N -0.351 119.996 120.300 0.079 0.000 2.638 490 Y HA -0.008 4.543 4.550 0.002 0.000 0.275 490 Y C 2.636 178.570 175.900 0.056 0.000 1.122 490 Y CA 0.306 58.438 58.100 0.054 0.000 1.266 490 Y CB -0.122 38.370 38.460 0.054 0.000 1.317 490 Y HN -0.113 nan 8.280 nan 0.000 0.501 491 S N 0.146 115.998 115.700 0.253 0.000 2.428 491 S HA -0.148 4.323 4.470 0.003 0.000 0.230 491 S C 1.026 175.728 174.600 0.170 0.000 1.014 491 S CA 0.814 59.133 58.200 0.199 0.000 0.957 491 S CB -0.571 62.753 63.200 0.205 0.000 0.784 491 S HN 0.519 nan 8.310 nan 0.000 0.499 492 N N 1.057 119.851 118.700 0.157 0.000 2.725 492 N HA -0.148 4.593 4.740 0.003 0.000 0.251 492 N C 0.436 176.108 175.510 0.270 0.000 1.031 492 N CA 0.940 54.107 53.050 0.195 0.000 0.720 492 N CB -2.050 36.535 38.487 0.164 0.000 0.930 492 N HN 0.508 nan 8.380 nan 0.000 0.543 493 T N -1.524 113.144 114.554 0.191 0.000 2.699 493 T HA 0.118 4.470 4.350 0.003 0.000 0.268 493 T C 1.146 175.868 174.700 0.037 0.000 1.036 493 T CA 1.677 63.871 62.100 0.157 0.000 1.147 493 T CB -0.202 68.766 68.868 0.168 0.000 0.862 493 T HN 0.795 nan 8.240 nan 0.000 0.446 494 G N -0.870 107.897 108.800 -0.055 0.000 2.341 494 G HA2 0.542 4.504 3.960 0.003 0.000 0.299 494 G HA3 0.542 4.504 3.960 0.003 0.000 0.299 494 G C -2.055 172.735 174.900 -0.182 0.000 1.274 494 G CA -0.970 43.854 45.100 -0.460 0.000 0.853 494 G HN 0.226 nan 8.290 nan 0.000 0.493 495 I N 0.238 120.688 120.570 -0.199 0.000 2.509 495 I HA 0.556 4.728 4.170 0.003 0.000 0.293 495 I C -0.981 175.191 176.117 0.092 0.000 1.020 495 I CA -0.857 60.455 61.300 0.020 0.000 1.088 495 I CB 2.137 40.184 38.000 0.078 0.000 1.267 495 I HN 0.448 nan 8.210 nan 0.000 0.430 496 L N 5.827 127.093 121.223 0.072 0.000 2.334 496 L HA 0.772 5.113 4.340 0.003 0.000 0.276 496 L C -0.199 176.693 176.870 0.037 0.000 1.014 496 L CA -0.208 54.610 54.840 -0.036 0.000 0.815 496 L CB 1.695 43.627 42.059 -0.212 0.000 1.268 496 L HN 0.661 nan 8.230 nan 0.000 0.428 497 A N 5.961 128.611 122.820 -0.283 0.000 2.310 497 A HA 0.468 4.790 4.320 0.003 0.000 0.300 497 A C -0.065 177.202 177.584 -0.527 0.000 1.269 497 A CA -0.295 51.370 52.037 -0.621 0.000 0.909 497 A CB -0.369 17.564 19.000 -1.777 0.000 1.144 497 A HN 0.804 nan 8.150 nan 0.000 0.540 498 M N 3.923 123.394 119.600 -0.216 0.000 3.213 498 M HA 0.107 4.588 4.480 0.003 0.000 0.275 498 M C 0.001 176.240 176.300 -0.101 0.000 1.424 498 M CA 0.303 55.506 55.300 -0.161 0.000 1.561 498 M CB -0.218 32.358 32.600 -0.040 0.000 1.109 498 M HN 0.544 nan 8.290 nan 0.000 0.552 499 K N 1.777 122.031 120.400 -0.243 0.000 2.355 499 K HA 0.141 4.462 4.320 0.003 0.000 0.270 499 K C 0.190 176.779 176.600 -0.018 0.000 1.003 499 K CA -0.186 56.033 56.287 -0.113 0.000 0.957 499 K CB 0.839 33.180 32.500 -0.265 0.000 0.939 499 K HN 0.372 nan 8.250 nan 0.000 0.482 500 K N 2.661 123.098 120.400 0.061 0.000 2.451 500 K HA -0.027 4.295 4.320 0.003 0.000 0.280 500 K C 0.447 177.070 176.600 0.038 0.000 1.020 500 K CA 0.192 56.508 56.287 0.048 0.000 1.008 500 K CB 0.385 32.919 32.500 0.056 0.000 0.917 500 K HN 0.515 nan 8.250 nan 0.000 0.478 501 I N 3.470 124.082 120.570 0.069 0.000 2.947 501 I HA -0.008 4.164 4.170 0.003 0.000 0.263 501 I C 0.372 176.542 176.117 0.089 0.000 1.130 501 I CA 0.073 61.426 61.300 0.089 0.000 1.448 501 I CB 0.673 38.775 38.000 0.171 0.000 1.222 501 I HN 0.465 nan 8.210 nan 0.000 0.453 502 V N -2.531 117.436 119.914 0.088 0.000 3.160 502 V HA 0.532 4.654 4.120 0.003 0.000 0.310 502 V C -0.732 175.378 176.094 0.027 0.000 1.181 502 V CA -1.002 61.339 62.300 0.069 0.000 1.047 502 V CB 1.887 33.772 31.823 0.102 0.000 1.068 502 V HN -0.074 nan 8.190 nan 0.000 0.441 503 E N 1.311 121.519 120.200 0.013 0.000 2.373 503 E HA 0.399 4.750 4.350 0.003 0.000 0.263 503 E C -2.587 173.991 176.600 -0.035 0.000 1.073 503 E CA -2.093 54.301 56.400 -0.009 0.000 0.894 503 E CB 0.399 30.096 29.700 -0.006 0.000 1.008 503 E HN 0.598 nan 8.360 nan 0.000 0.420 504 P HA -0.057 nan 4.420 nan 0.000 0.261 504 P C -0.433 176.827 177.300 -0.066 0.000 1.173 504 P CA 0.199 63.266 63.100 -0.055 0.000 0.760 504 P CB 0.266 31.943 31.700 -0.037 0.000 0.783 505 L N 5.280 126.442 121.223 -0.101 0.000 2.395 505 L HA 0.226 4.568 4.340 0.003 0.000 0.269 505 L C 0.892 177.720 176.870 -0.070 0.000 1.133 505 L CA 0.376 55.089 54.840 -0.212 0.000 0.812 505 L CB -0.520 41.355 42.059 -0.308 0.000 1.125 505 L HN 0.539 nan 8.230 nan 0.000 0.452 506 Y N 0.366 120.680 120.300 0.023 0.000 2.845 506 Y HA -0.416 4.136 4.550 0.003 0.000 0.468 506 Y C 1.018 176.974 175.900 0.094 0.000 1.163 506 Y CA 1.296 59.410 58.100 0.023 0.000 2.636 506 Y CB -0.690 37.696 38.460 -0.123 0.000 1.194 506 Y HN 0.609 nan 8.280 nan 0.000 0.626 507 E N 1.345 121.736 120.200 0.319 0.000 2.496 507 E HA 0.499 4.851 4.350 0.003 0.000 0.202 507 E C -0.114 176.759 176.600 0.456 0.000 1.021 507 E CA 0.245 56.889 56.400 0.407 0.000 1.015 507 E CB 0.446 30.448 29.700 0.503 0.000 1.102 507 E HN 0.449 nan 8.360 nan 0.000 0.452 508 A N 1.604 124.583 122.820 0.265 0.000 2.407 508 A HA 0.394 4.716 4.320 0.003 0.000 0.248 508 A C 0.194 177.860 177.584 0.137 0.000 1.082 508 A CA 0.107 52.277 52.037 0.222 0.000 0.785 508 A CB 0.455 19.523 19.000 0.113 0.000 1.020 508 A HN 0.172 nan 8.150 nan 0.000 0.489 509 R N 0.336 120.890 120.500 0.089 0.000 2.867 509 R HA 0.508 4.849 4.340 0.003 0.000 0.268 509 R C -0.125 176.138 176.300 -0.061 0.000 1.014 509 R CA -0.416 55.622 56.100 -0.102 0.000 0.946 509 R CB 1.965 32.008 30.300 -0.427 0.000 1.208 509 R HN 0.907 nan 8.270 nan 0.000 0.477 510 S N -0.181 115.490 115.700 -0.049 0.000 2.579 510 S HA 0.004 4.476 4.470 0.003 0.000 0.275 510 S C 0.518 175.165 174.600 0.079 0.000 1.345 510 S CA -0.467 57.748 58.200 0.025 0.000 1.031 510 S CB 0.713 63.961 63.200 0.079 0.000 0.892 510 S HN 0.561 nan 8.310 nan 0.000 0.529 511 D N 0.589 121.087 120.400 0.163 0.000 2.149 511 D HA -0.178 4.464 4.640 0.003 0.000 0.198 511 D C 1.433 177.881 176.300 0.247 0.000 0.990 511 D CA 1.725 55.827 54.000 0.171 0.000 0.839 511 D CB -0.250 40.740 40.800 0.316 0.000 0.948 511 D HN 0.800 nan 8.370 nan 0.000 0.460 512 Y N 2.324 122.790 120.300 0.278 0.000 2.053 512 Y HA -0.259 4.292 4.550 0.003 0.000 0.277 512 Y C 1.944 177.958 175.900 0.191 0.000 1.159 512 Y CA 1.911 60.208 58.100 0.328 0.000 1.125 512 Y CB -0.109 38.517 38.460 0.278 0.000 0.969 512 Y HN -0.173 nan 8.280 nan 0.000 0.492 513 D N 0.227 120.810 120.400 0.305 0.000 2.149 513 D HA -0.201 4.440 4.640 0.003 0.000 0.198 513 D C 2.235 178.443 176.300 -0.154 0.000 0.990 513 D CA 1.839 55.883 54.000 0.072 0.000 0.839 513 D CB -0.353 40.445 40.800 -0.003 0.000 0.948 513 D HN 0.489 nan 8.370 nan 0.000 0.460 514 I N -0.252 120.190 120.570 -0.212 0.000 2.163 514 I HA -0.243 3.929 4.170 0.003 0.000 0.240 514 I C 2.182 178.149 176.117 -0.250 0.000 1.081 514 I CA 0.922 62.041 61.300 -0.301 0.000 1.353 514 I CB -0.338 37.428 38.000 -0.391 0.000 1.054 514 I HN -0.072 nan 8.210 nan 0.000 0.407 515 F N 0.833 120.663 119.950 -0.200 0.000 2.171 515 F HA -0.212 4.316 4.527 0.003 0.000 0.300 515 F C 2.658 177.859 175.800 -1.000 0.000 1.090 515 F CA 0.779 58.485 58.000 -0.491 0.000 1.293 515 F CB -0.369 38.363 39.000 -0.447 0.000 1.013 515 F HN 0.036 nan 8.300 nan 0.000 0.486 516 A N 0.128 122.410 122.820 -0.896 0.000 1.933 516 A HA -0.129 4.193 4.320 0.003 0.000 0.218 516 A C 2.327 179.705 177.584 -0.343 0.000 1.175 516 A CA 1.689 53.259 52.037 -0.778 0.000 0.628 516 A CB -1.086 17.691 19.000 -0.372 0.000 0.814 516 A HN 0.324 nan 8.150 nan 0.000 0.444 517 A N -0.741 121.942 122.820 -0.228 0.000 1.929 517 A HA 0.108 4.430 4.320 0.003 0.000 0.216 517 A C 2.198 179.736 177.584 -0.077 0.000 1.176 517 A CA 1.515 53.481 52.037 -0.119 0.000 0.628 517 A CB -0.712 18.223 19.000 -0.108 0.000 0.816 517 A HN 0.331 nan 8.150 nan 0.000 0.444 518 V N -0.062 119.807 119.914 -0.075 0.000 2.307 518 V HA -0.232 3.890 4.120 0.003 0.000 0.245 518 V C 3.075 179.150 176.094 -0.031 0.000 1.045 518 V CA 1.907 64.212 62.300 0.008 0.000 1.024 518 V CB -1.230 30.659 31.823 0.111 0.000 0.651 518 V HN 0.590 nan 8.190 nan 0.000 0.449 519 A N 0.032 122.768 122.820 -0.139 0.000 1.908 519 A HA -0.295 4.027 4.320 0.003 0.000 0.218 519 A C 2.179 179.742 177.584 -0.035 0.000 1.181 519 A CA 2.208 54.186 52.037 -0.097 0.000 0.627 519 A CB -0.569 18.324 19.000 -0.178 0.000 0.818 519 A HN 0.606 nan 8.150 nan 0.000 0.445 520 E N 0.132 120.302 120.200 -0.049 0.000 2.085 520 E HA -0.206 4.146 4.350 0.003 0.000 0.194 520 E C 2.085 178.691 176.600 0.009 0.000 0.994 520 E CA 1.725 58.120 56.400 -0.008 0.000 0.801 520 E CB -0.240 29.453 29.700 -0.012 0.000 0.743 520 E HN 0.598 nan 8.360 nan 0.000 0.453 521 R N -0.516 119.991 120.500 0.012 0.000 2.189 521 R HA 0.034 4.376 4.340 0.003 0.000 0.223 521 R C 1.817 178.138 176.300 0.035 0.000 1.092 521 R CA 0.987 57.105 56.100 0.029 0.000 0.989 521 R CB -0.120 30.206 30.300 0.042 0.000 0.876 521 R HN 0.267 nan 8.270 nan 0.000 0.457 522 L N -0.562 120.681 121.223 0.033 0.000 2.592 522 L HA 0.220 4.562 4.340 0.003 0.000 0.227 522 L C 0.942 177.834 176.870 0.036 0.000 1.127 522 L CA 0.240 55.103 54.840 0.039 0.000 0.884 522 L CB 0.324 42.409 42.059 0.044 0.000 1.065 522 L HN 0.401 nan 8.230 nan 0.000 0.457 523 G N 0.417 109.236 108.800 0.032 0.000 2.136 523 G HA2 -0.241 3.720 3.960 0.003 0.000 0.242 523 G HA3 -0.241 3.720 3.960 0.003 0.000 0.242 523 G C 0.578 175.501 174.900 0.038 0.000 0.989 523 G CA -0.048 45.072 45.100 0.032 0.000 0.682 523 G HN 0.253 nan 8.290 nan 0.000 0.522 524 K N -0.011 120.415 120.400 0.044 0.000 2.676 524 K HA 0.324 4.645 4.320 0.003 0.000 0.205 524 K C 1.997 178.648 176.600 0.086 0.000 1.084 524 K CA 0.388 56.712 56.287 0.063 0.000 1.057 524 K CB 0.452 32.993 32.500 0.069 0.000 0.791 524 K HN 0.323 nan 8.250 nan 0.000 0.484 525 G N 1.405 110.245 108.800 0.067 0.000 2.446 525 G HA2 -0.293 3.669 3.960 0.003 0.000 0.217 525 G HA3 -0.293 3.669 3.960 0.003 0.000 0.217 525 G C 1.501 176.483 174.900 0.136 0.000 1.168 525 G CA 1.230 46.379 45.100 0.082 0.000 0.771 525 G HN 0.340 nan 8.290 nan 0.000 0.551 526 A N 0.803 123.684 122.820 0.101 0.000 1.902 526 A HA -0.013 4.309 4.320 0.003 0.000 0.217 526 A C 2.227 179.880 177.584 0.116 0.000 1.181 526 A CA 2.195 54.291 52.037 0.098 0.000 0.623 526 A CB -0.361 18.674 19.000 0.058 0.000 0.818 526 A HN 0.357 nan 8.150 nan 0.000 0.443 527 E N -1.035 119.233 120.200 0.114 0.000 2.110 527 E HA -0.113 4.239 4.350 0.003 0.000 0.193 527 E C 1.603 178.291 176.600 0.147 0.000 0.988 527 E CA 1.191 57.655 56.400 0.107 0.000 0.804 527 E CB -0.426 29.328 29.700 0.089 0.000 0.745 527 E HN 0.695 nan 8.360 nan 0.000 0.458 528 F N 1.001 120.979 119.950 0.046 0.000 2.084 528 F HA -0.209 4.320 4.527 0.003 0.000 0.296 528 F C 2.404 178.284 175.800 0.134 0.000 1.111 528 F CA 1.981 59.999 58.000 0.030 0.000 1.224 528 F CB -0.448 38.524 39.000 -0.047 0.000 0.991 528 F HN 0.105 nan 8.300 nan 0.000 0.471 529 T N -3.019 111.757 114.554 0.370 0.000 3.014 529 T HA 0.005 4.357 4.350 0.003 0.000 0.263 529 T C 1.117 176.055 174.700 0.396 0.000 1.078 529 T CA 0.900 63.286 62.100 0.477 0.000 1.135 529 T CB -0.052 69.067 68.868 0.419 0.000 0.895 529 T HN 0.290 nan 8.240 nan 0.000 0.480 530 E N 0.752 121.073 120.200 0.202 0.000 3.070 530 E HA -0.153 4.198 4.350 0.003 0.000 0.285 530 E C 1.005 177.549 176.600 -0.093 0.000 0.972 530 E CA 1.189 57.616 56.400 0.046 0.000 0.915 530 E CB -2.000 27.741 29.700 0.067 0.000 1.466 530 E HN 1.232 nan 8.360 nan 0.000 0.432 531 G N -0.758 108.019 108.800 -0.038 0.000 2.153 531 G HA2 -0.373 3.588 3.960 0.003 0.000 0.252 531 G HA3 -0.373 3.588 3.960 0.003 0.000 0.252 531 G C 0.249 175.044 174.900 -0.175 0.000 0.994 531 G CA 0.879 45.929 45.100 -0.084 0.000 0.698 531 G HN 0.433 nan 8.290 nan 0.000 0.521 532 K N 0.246 120.485 120.400 -0.268 0.000 2.258 532 K HA 0.603 4.925 4.320 0.003 0.000 0.236 532 K C -0.274 176.226 176.600 -0.167 0.000 1.008 532 K CA -0.398 55.630 56.287 -0.433 0.000 0.869 532 K CB 1.537 33.337 32.500 -1.167 0.000 1.171 532 K HN 0.276 nan 8.250 nan 0.000 0.447 533 D N -1.084 119.215 120.400 -0.169 0.000 2.650 533 D HA 0.026 4.668 4.640 0.003 0.000 0.255 533 D C 0.803 177.081 176.300 -0.038 0.000 1.135 533 D CA -0.619 53.364 54.000 -0.029 0.000 1.099 533 D CB 0.410 41.187 40.800 -0.038 0.000 1.273 533 D HN 0.637 nan 8.370 nan 0.000 0.628 534 E N -0.850 119.311 120.200 -0.065 0.000 2.038 534 E HA -0.218 4.133 4.350 0.003 0.000 0.195 534 E C 1.782 178.317 176.600 -0.107 0.000 1.000 534 E CA 1.359 57.702 56.400 -0.096 0.000 0.803 534 E CB -0.040 29.632 29.700 -0.048 0.000 0.750 534 E HN 0.328 nan 8.360 nan 0.000 0.448 535 M N 0.120 119.634 119.600 -0.144 0.000 2.296 535 M HA -0.005 4.477 4.480 0.003 0.000 0.265 535 M C 2.346 178.453 176.300 -0.322 0.000 1.064 535 M CA 1.295 56.454 55.300 -0.235 0.000 1.109 535 M CB -1.089 31.372 32.600 -0.232 0.000 1.396 535 M HN 0.283 nan 8.290 nan 0.000 0.430 536 G N -1.159 107.463 108.800 -0.297 0.000 2.402 536 G HA2 -0.214 3.748 3.960 0.003 0.000 0.216 536 G HA3 -0.214 3.748 3.960 0.003 0.000 0.216 536 G C 1.402 176.014 174.900 -0.481 0.000 1.162 536 G CA 0.226 45.090 45.100 -0.393 0.000 0.777 536 G HN 0.442 nan 8.290 nan 0.000 0.539 537 W N 0.682 121.691 121.300 -0.485 0.000 2.355 537 W HA 0.051 4.713 4.660 0.003 0.000 0.309 537 W C 2.577 178.387 176.519 -1.182 0.000 1.206 537 W CA 0.321 57.213 57.345 -0.755 0.000 1.284 537 W CB -0.208 28.912 29.460 -0.567 0.000 1.145 537 W HN 0.098 nan 8.180 nan 0.000 0.502 538 I N 0.388 120.677 120.570 -0.468 0.000 2.163 538 I HA -0.361 3.811 4.170 0.003 0.000 0.243 538 I C 2.454 178.334 176.117 -0.395 0.000 1.085 538 I CA 1.618 62.733 61.300 -0.308 0.000 1.347 538 I CB -0.615 37.359 38.000 -0.044 0.000 1.044 538 I HN -0.041 nan 8.210 nan 0.000 0.408 539 K N 0.884 120.864 120.400 -0.700 0.000 2.097 539 K HA -0.198 4.124 4.320 0.003 0.000 0.206 539 K C 2.297 178.611 176.600 -0.476 0.000 1.049 539 K CA 1.813 57.491 56.287 -1.015 0.000 0.933 539 K CB -0.057 31.724 32.500 -1.197 0.000 0.717 539 K HN 0.405 nan 8.250 nan 0.000 0.442 540 S N -0.136 115.291 115.700 -0.456 0.000 2.402 540 S HA -0.114 4.357 4.470 0.003 0.000 0.229 540 S C 1.867 176.426 174.600 -0.068 0.000 1.021 540 S CA 0.754 58.790 58.200 -0.274 0.000 0.974 540 S CB -0.727 62.289 63.200 -0.306 0.000 0.800 540 S HN 0.383 nan 8.310 nan 0.000 0.484 541 F N 0.226 120.191 119.950 0.025 0.000 2.113 541 F HA 0.002 4.530 4.527 0.002 0.000 0.297 541 F C 2.601 178.421 175.800 0.033 0.000 1.103 541 F CA 1.065 59.092 58.000 0.044 0.000 1.248 541 F CB -0.649 38.397 39.000 0.078 0.000 0.999 541 F HN 0.196 nan 8.300 nan 0.000 0.475 542 Y N 1.660 122.049 120.300 0.147 0.000 2.145 542 Y HA -0.262 4.290 4.550 0.002 0.000 0.286 542 Y C 2.031 177.957 175.900 0.042 0.000 1.145 542 Y CA 1.740 59.893 58.100 0.089 0.000 1.148 542 Y CB -0.679 37.907 38.460 0.210 0.000 0.981 542 Y HN -0.038 nan 8.280 nan 0.000 0.507 543 D N 0.182 120.598 120.400 0.026 0.000 2.123 543 D HA -0.180 4.462 4.640 0.003 0.000 0.196 543 D C 1.754 177.986 176.300 -0.113 0.000 0.992 543 D CA 1.665 55.639 54.000 -0.044 0.000 0.833 543 D CB -0.413 40.380 40.800 -0.011 0.000 0.954 543 D HN 0.430 nan 8.370 nan 0.000 0.455 544 D N 0.304 120.665 120.400 -0.066 0.000 2.104 544 D HA -0.117 4.525 4.640 0.003 0.000 0.194 544 D C 2.019 178.252 176.300 -0.112 0.000 0.994 544 D CA 1.460 55.427 54.000 -0.055 0.000 0.830 544 D CB -0.400 40.407 40.800 0.012 0.000 0.959 544 D HN 0.159 nan 8.370 nan 0.000 0.452 545 A N 0.959 123.684 122.820 -0.159 0.000 1.902 545 A HA -0.060 4.262 4.320 0.003 0.000 0.217 545 A C 2.308 179.726 177.584 -0.277 0.000 1.181 545 A CA 2.328 54.241 52.037 -0.208 0.000 0.623 545 A CB -0.731 18.143 19.000 -0.210 0.000 0.818 545 A HN 0.243 nan 8.150 nan 0.000 0.443 546 A N -0.263 122.311 122.820 -0.411 0.000 1.933 546 A HA -0.154 4.168 4.320 0.003 0.000 0.218 546 A C 2.132 179.622 177.584 -0.158 0.000 1.175 546 A CA 1.965 53.810 52.037 -0.321 0.000 0.628 546 A CB -0.423 18.360 19.000 -0.361 0.000 0.814 546 A HN 0.576 nan 8.150 nan 0.000 0.444 547 K N -0.356 119.965 120.400 -0.132 0.000 2.057 547 K HA -0.217 4.104 4.320 0.003 0.000 0.206 547 K C 2.319 178.869 176.600 -0.083 0.000 1.050 547 K CA 1.613 57.852 56.287 -0.080 0.000 0.935 547 K CB -0.231 32.231 32.500 -0.064 0.000 0.715 547 K HN 0.640 nan 8.250 nan 0.000 0.439 548 Q N -0.131 119.608 119.800 -0.102 0.000 2.084 548 Q HA -0.131 4.211 4.340 0.003 0.000 0.202 548 Q C 1.922 177.852 176.000 -0.117 0.000 0.978 548 Q CA 1.893 57.635 55.803 -0.101 0.000 0.844 548 Q CB -0.340 28.333 28.738 -0.109 0.000 0.898 548 Q HN 0.450 nan 8.270 nan 0.000 0.426 549 G N 1.400 110.111 108.800 -0.149 0.000 2.433 549 G HA2 -0.306 3.656 3.960 0.003 0.000 0.216 549 G HA3 -0.306 3.656 3.960 0.003 0.000 0.216 549 G C 1.422 176.265 174.900 -0.095 0.000 1.186 549 G CA 0.943 45.946 45.100 -0.162 0.000 0.779 549 G HN 0.370 nan 8.290 nan 0.000 0.543 550 K N 0.571 120.929 120.400 -0.069 0.000 2.020 550 K HA -0.120 4.202 4.320 0.003 0.000 0.212 550 K C 2.829 179.407 176.600 -0.036 0.000 1.050 550 K CA 1.529 57.794 56.287 -0.037 0.000 0.929 550 K CB -0.420 32.066 32.500 -0.024 0.000 0.714 550 K HN 0.204 nan 8.250 nan 0.000 0.443 551 A N 0.879 123.672 122.820 -0.044 0.000 1.917 551 A HA -0.161 4.161 4.320 0.003 0.000 0.219 551 A C 2.229 179.790 177.584 -0.038 0.000 1.182 551 A CA 2.149 54.163 52.037 -0.038 0.000 0.633 551 A CB -0.750 18.226 19.000 -0.041 0.000 0.819 551 A HN 0.526 nan 8.150 nan 0.000 0.448 552 A N -2.241 120.548 122.820 -0.052 0.000 2.206 552 A HA 0.391 4.713 4.320 0.003 0.000 0.211 552 A C 1.833 179.394 177.584 -0.039 0.000 1.158 552 A CA 1.312 53.318 52.037 -0.052 0.000 0.761 552 A CB -0.840 18.113 19.000 -0.079 0.000 0.801 552 A HN 1.979 nan 8.150 nan 0.000 0.473 553 G N -2.105 106.676 108.800 -0.030 0.000 2.144 553 G HA2 -0.159 3.802 3.960 0.003 0.000 0.218 553 G HA3 -0.159 3.802 3.960 0.003 0.000 0.218 553 G C 0.019 174.914 174.900 -0.009 0.000 0.988 553 G CA 0.030 45.122 45.100 -0.014 0.000 0.659 553 G HN 0.805 nan 8.290 nan 0.000 0.522 554 V N 1.819 121.716 119.914 -0.028 0.000 2.333 554 V HA 0.398 4.520 4.120 0.003 0.000 0.274 554 V C 0.596 176.704 176.094 0.022 0.000 1.028 554 V CA -0.498 61.794 62.300 -0.012 0.000 0.851 554 V CB 1.391 33.156 31.823 -0.097 0.000 1.000 554 V HN 0.433 nan 8.190 nan 0.000 0.456 555 Q N 5.334 125.173 119.800 0.065 0.000 2.304 555 Q HA 0.599 4.941 4.340 0.003 0.000 0.260 555 Q C -0.650 175.428 176.000 0.130 0.000 0.965 555 Q CA 0.324 56.176 55.803 0.081 0.000 0.898 555 Q CB 1.167 29.952 28.738 0.078 0.000 1.196 555 Q HN 0.648 nan 8.270 nan 0.000 0.402 556 M N 3.241 122.917 119.600 0.128 0.000 2.386 556 M HA 0.443 4.924 4.480 0.003 0.000 0.293 556 M C -2.303 174.121 176.300 0.207 0.000 1.120 556 M CA -2.028 53.387 55.300 0.192 0.000 0.909 556 M CB 2.158 34.855 32.600 0.161 0.000 1.661 556 M HN 0.508 nan 8.290 nan 0.000 0.452 557 P HA 0.411 nan 4.420 nan 0.000 0.274 557 P C -0.829 176.666 177.300 0.324 0.000 1.256 557 P CA -0.500 62.741 63.100 0.234 0.000 0.795 557 P CB 0.350 32.170 31.700 0.201 0.000 1.038 558 A N 0.215 123.183 122.820 0.247 0.000 2.448 558 A HA 0.057 4.378 4.320 0.003 0.000 0.239 558 A C 1.069 178.843 177.584 0.317 0.000 1.080 558 A CA -0.309 51.899 52.037 0.285 0.000 0.779 558 A CB -0.651 18.457 19.000 0.179 0.000 1.026 558 A HN 0.609 nan 8.150 nan 0.000 0.499 559 F N 0.545 120.615 119.950 0.200 0.000 2.091 559 F HA -0.222 4.306 4.527 0.002 0.000 0.299 559 F C 1.642 177.483 175.800 0.067 0.000 1.103 559 F CA 2.711 60.728 58.000 0.028 0.000 1.228 559 F CB -0.114 38.926 39.000 0.067 0.000 0.984 559 F HN 0.662 nan 8.300 nan 0.000 0.477 560 D N 0.267 120.651 120.400 -0.025 0.000 2.178 560 D HA -0.130 4.512 4.640 0.003 0.000 0.201 560 D C 2.337 178.569 176.300 -0.114 0.000 0.980 560 D CA 1.361 55.281 54.000 -0.133 0.000 0.842 560 D CB -0.631 40.165 40.800 -0.007 0.000 0.948 560 D HN 0.409 nan 8.370 nan 0.000 0.472 561 A N 0.399 123.198 122.820 -0.035 0.000 1.929 561 A HA -0.104 4.217 4.320 0.003 0.000 0.216 561 A C 2.018 179.573 177.584 -0.049 0.000 1.176 561 A CA 0.743 52.768 52.037 -0.019 0.000 0.628 561 A CB -0.818 18.207 19.000 0.042 0.000 0.816 561 A HN 0.263 nan 8.150 nan 0.000 0.444 562 F N -0.676 119.156 119.950 -0.196 0.000 2.075 562 F HA -0.185 4.343 4.527 0.002 0.000 0.297 562 F C 2.187 177.807 175.800 -0.300 0.000 1.113 562 F CA 1.668 59.511 58.000 -0.263 0.000 1.218 562 F CB -0.620 38.098 39.000 -0.471 0.000 0.984 562 F HN 0.463 nan 8.300 nan 0.000 0.472 563 W N 1.317 121.952 121.300 -1.109 0.000 2.338 563 W HA -0.241 4.421 4.660 0.002 0.000 0.304 563 W C 2.466 178.607 176.519 -0.631 0.000 1.212 563 W CA 2.215 58.926 57.345 -1.055 0.000 1.264 563 W CB -0.655 28.240 29.460 -0.941 0.000 1.142 563 W HN 0.259 nan 8.180 nan 0.000 0.512 564 A N 0.441 123.099 122.820 -0.270 0.000 1.940 564 A HA -0.252 4.069 4.320 0.003 0.000 0.219 564 A C 1.727 179.148 177.584 -0.272 0.000 1.176 564 A CA 2.087 53.995 52.037 -0.214 0.000 0.631 564 A CB -0.839 18.090 19.000 -0.119 0.000 0.814 564 A HN 0.459 nan 8.150 nan 0.000 0.446 565 E N -2.298 117.724 120.200 -0.297 0.000 2.230 565 E HA 0.236 4.588 4.350 0.003 0.000 0.192 565 E C 1.475 177.850 176.600 -0.375 0.000 0.987 565 E CA 0.487 56.736 56.400 -0.253 0.000 0.841 565 E CB -0.077 29.535 29.700 -0.146 0.000 0.783 565 E HN 0.742 nan 8.360 nan 0.000 0.481 566 G N 1.153 109.572 108.800 -0.635 0.000 2.268 566 G HA2 -0.292 3.670 3.960 0.003 0.000 0.240 566 G HA3 -0.292 3.670 3.960 0.003 0.000 0.240 566 G C 0.169 174.684 174.900 -0.642 0.000 1.010 566 G CA 0.314 44.966 45.100 -0.747 0.000 0.618 566 G HN 0.308 nan 8.290 nan 0.000 0.516 567 I N 0.089 120.429 120.570 -0.384 0.000 2.984 567 I HA 0.586 4.757 4.170 0.003 0.000 0.303 567 I C -1.148 175.033 176.117 0.107 0.000 1.381 567 I CA -1.243 59.993 61.300 -0.107 0.000 0.988 567 I CB 2.264 40.144 38.000 -0.201 0.000 1.307 567 I HN 0.270 nan 8.210 nan 0.000 0.460 568 V N 3.077 123.072 119.914 0.135 0.000 2.540 568 V HA 0.601 4.723 4.120 0.003 0.000 0.302 568 V C -0.615 175.292 176.094 -0.313 0.000 1.035 568 V CA -0.654 61.645 62.300 -0.001 0.000 0.873 568 V CB 1.439 33.237 31.823 -0.041 0.000 0.992 568 V HN 0.685 nan 8.190 nan 0.000 0.428 569 E N 2.870 122.923 120.200 -0.246 0.000 2.202 569 E HA 0.686 5.038 4.350 0.003 0.000 0.272 569 E C -1.616 174.823 176.600 -0.269 0.000 0.951 569 E CA -0.558 55.675 56.400 -0.278 0.000 0.813 569 E CB 2.191 31.877 29.700 -0.023 0.000 1.151 569 E HN 0.581 nan 8.360 nan 0.000 0.398 570 F N 1.960 121.963 119.950 0.089 0.000 2.507 570 F HA 0.400 4.929 4.527 0.002 0.000 0.327 570 F C -1.913 173.927 175.800 0.066 0.000 1.068 570 F CA -2.856 55.184 58.000 0.067 0.000 0.965 570 F CB 0.553 39.583 39.000 0.050 0.000 1.192 570 F HN 0.222 nan 8.300 nan 0.000 0.476 571 P HA 0.257 nan 4.420 nan 0.000 0.279 571 P C -0.854 176.530 177.300 0.140 0.000 1.239 571 P CA -0.242 62.955 63.100 0.161 0.000 0.789 571 P CB 1.585 33.359 31.700 0.124 0.000 0.933 572 V N 3.073 123.057 119.914 0.117 0.000 2.498 572 V HA 0.180 4.302 4.120 0.003 0.000 0.279 572 V C 1.592 177.735 176.094 0.082 0.000 1.048 572 V CA 0.418 62.780 62.300 0.102 0.000 0.967 572 V CB 0.751 32.637 31.823 0.105 0.000 0.988 572 V HN 0.860 nan 8.190 nan 0.000 0.473 573 T N 0.726 115.322 114.554 0.071 0.000 3.571 573 T HA 0.076 4.428 4.350 0.003 0.000 0.217 573 T C 0.938 175.677 174.700 0.065 0.000 0.925 573 T CA 0.629 62.765 62.100 0.060 0.000 1.376 573 T CB -0.148 68.748 68.868 0.047 0.000 1.375 573 T HN 0.608 nan 8.240 nan 0.000 0.404 574 D N 0.984 121.423 120.400 0.065 0.000 2.363 574 D HA 0.270 4.911 4.640 0.003 0.000 0.214 574 D C 1.953 178.313 176.300 0.101 0.000 1.093 574 D CA 0.282 54.329 54.000 0.078 0.000 0.837 574 D CB -0.703 40.142 40.800 0.074 0.000 0.948 574 D HN 0.581 nan 8.370 nan 0.000 0.507 575 G N 1.090 109.946 108.800 0.094 0.000 2.469 575 G HA2 -0.254 3.707 3.960 0.003 0.000 0.220 575 G HA3 -0.254 3.707 3.960 0.003 0.000 0.220 575 G C 1.577 176.566 174.900 0.148 0.000 1.136 575 G CA 0.961 46.125 45.100 0.107 0.000 0.759 575 G HN 0.471 nan 8.290 nan 0.000 0.562 576 A N 0.275 123.177 122.820 0.136 0.000 2.216 576 A HA 0.098 4.420 4.320 0.003 0.000 0.214 576 A C 1.596 179.264 177.584 0.140 0.000 1.160 576 A CA 1.589 53.713 52.037 0.145 0.000 0.725 576 A CB -0.032 19.044 19.000 0.126 0.000 0.784 576 A HN 0.297 nan 8.150 nan 0.000 0.472 577 D N -1.725 118.758 120.400 0.138 0.000 2.398 577 D HA 0.128 4.769 4.640 0.003 0.000 0.210 577 D C -0.012 176.361 176.300 0.122 0.000 1.094 577 D CA -0.342 53.723 54.000 0.110 0.000 0.839 577 D CB -0.090 40.761 40.800 0.085 0.000 0.963 577 D HN 0.397 nan 8.370 nan 0.000 0.506 578 F N 2.174 122.139 119.950 0.025 0.000 2.608 578 F HA 0.079 4.608 4.527 0.002 0.000 0.380 578 F C -0.154 175.641 175.800 -0.009 0.000 1.083 578 F CA 0.044 58.047 58.000 0.004 0.000 1.266 578 F CB 0.583 39.580 39.000 -0.006 0.000 1.076 578 F HN -0.349 nan 8.300 nan 0.000 0.574 579 V N 7.771 127.134 119.914 -0.918 0.000 2.447 579 V HA 0.323 4.445 4.120 0.003 0.000 0.292 579 V C 0.030 175.489 176.094 -1.060 0.000 1.021 579 V CA -0.998 60.875 62.300 -0.711 0.000 0.850 579 V CB 1.405 33.033 31.823 -0.326 0.000 1.005 579 V HN 0.746 nan 8.190 nan 0.000 0.426 580 R N 3.021 122.999 120.500 -0.870 0.000 2.590 580 R HA 0.218 4.559 4.340 0.003 0.000 0.274 580 R C 0.211 176.346 176.300 -0.275 0.000 1.061 580 R CA 0.476 56.209 56.100 -0.612 0.000 1.081 580 R CB 0.068 30.184 30.300 -0.306 0.000 0.984 580 R HN 0.740 nan 8.270 nan 0.000 0.448 581 Y N 0.176 120.387 120.300 -0.147 0.000 4.916 581 Y HA -0.379 4.173 4.550 0.003 0.000 0.247 581 Y C 1.426 177.345 175.900 0.031 0.000 0.962 581 Y CA 0.743 58.843 58.100 -0.000 0.000 1.933 581 Y CB -1.846 36.636 38.460 0.037 0.000 1.451 581 Y HN 0.802 nan 8.280 nan 0.000 0.539 582 A N -0.167 122.660 122.820 0.012 0.000 1.940 582 A HA -0.249 4.073 4.320 0.003 0.000 0.219 582 A C 2.302 179.930 177.584 0.074 0.000 1.176 582 A CA 2.387 54.430 52.037 0.010 0.000 0.631 582 A CB -0.824 18.130 19.000 -0.077 0.000 0.814 582 A HN 0.621 nan 8.150 nan 0.000 0.446 583 S N -1.496 114.259 115.700 0.092 0.000 2.368 583 S HA -0.148 4.324 4.470 0.003 0.000 0.224 583 S C 1.827 176.552 174.600 0.209 0.000 1.029 583 S CA 1.466 59.740 58.200 0.123 0.000 0.988 583 S CB -0.567 62.694 63.200 0.102 0.000 0.838 583 S HN 0.588 nan 8.310 nan 0.000 0.462 584 F N 2.781 122.807 119.950 0.127 0.000 2.069 584 F HA 0.009 4.538 4.527 0.002 0.000 0.298 584 F C 2.528 178.460 175.800 0.221 0.000 1.113 584 F CA 2.044 60.158 58.000 0.191 0.000 1.214 584 F CB -0.756 38.415 39.000 0.285 0.000 0.978 584 F HN 0.159 nan 8.300 nan 0.000 0.474 585 R N 0.343 120.904 120.500 0.101 0.000 2.091 585 R HA -0.228 4.114 4.340 0.003 0.000 0.238 585 R C 2.426 178.766 176.300 0.067 0.000 1.136 585 R CA 1.954 57.996 56.100 -0.097 0.000 0.959 585 R CB -0.576 29.675 30.300 -0.081 0.000 0.856 585 R HN 0.520 nan 8.270 nan 0.000 0.437 586 E N -0.341 119.899 120.200 0.066 0.000 2.051 586 E HA -0.185 4.166 4.350 0.003 0.000 0.192 586 E C -0.348 176.280 176.600 0.047 0.000 0.991 586 E CA 1.189 57.623 56.400 0.058 0.000 0.799 586 E CB 0.195 29.924 29.700 0.049 0.000 0.748 586 E HN 0.112 nan 8.360 nan 0.000 0.449 587 D N -1.670 118.757 120.400 0.044 0.000 2.319 587 D HA 0.107 4.749 4.640 0.003 0.000 0.237 587 D C -2.225 174.080 176.300 0.009 0.000 1.353 587 D CA -1.658 52.348 54.000 0.010 0.000 0.992 587 D CB 1.645 42.458 40.800 0.022 0.000 1.368 587 D HN -0.111 nan 8.370 nan 0.000 0.564 588 P HA -0.016 nan 4.420 nan 0.000 0.222 588 P C 1.666 178.987 177.300 0.035 0.000 1.153 588 P CA 0.393 63.441 63.100 -0.086 0.000 0.798 588 P CB 0.718 32.182 31.700 -0.393 0.000 0.796 589 L N -1.276 119.937 121.223 -0.017 0.000 2.131 589 L HA -0.045 4.297 4.340 0.003 0.000 0.206 589 L C 2.533 179.424 176.870 0.036 0.000 1.087 589 L CA 0.899 55.742 54.840 0.005 0.000 0.767 589 L CB -0.910 41.135 42.059 -0.024 0.000 0.917 589 L HN -0.061 nan 8.230 nan 0.000 0.441 590 L N -0.243 121.003 121.223 0.038 0.000 2.209 590 L HA 0.027 4.369 4.340 0.003 0.000 0.207 590 L C 0.469 177.386 176.870 0.079 0.000 1.094 590 L CA 1.213 56.082 54.840 0.049 0.000 0.790 590 L CB -0.518 41.564 42.059 0.039 0.000 0.932 590 L HN 0.379 nan 8.230 nan 0.000 0.447 591 N N 0.702 119.476 118.700 0.122 0.000 2.886 591 N HA 0.240 4.981 4.740 0.003 0.000 0.285 591 N C -2.452 173.222 175.510 0.272 0.000 1.706 591 N CA -1.005 52.146 53.050 0.167 0.000 0.904 591 N CB 1.080 39.673 38.487 0.178 0.000 1.224 591 N HN 0.176 nan 8.380 nan 0.000 0.488 592 P HA 0.160 nan 4.420 nan 0.000 0.274 592 P C 0.445 177.841 177.300 0.160 0.000 1.246 592 P CA -0.308 62.947 63.100 0.258 0.000 0.795 592 P CB 1.526 33.317 31.700 0.151 0.000 1.006 593 L N 0.363 121.633 121.223 0.077 0.000 2.475 593 L HA 0.261 4.602 4.340 0.003 0.000 0.253 593 L C 2.153 179.024 176.870 0.002 0.000 1.198 593 L CA -0.153 54.659 54.840 -0.046 0.000 0.814 593 L CB -0.207 41.744 42.059 -0.180 0.000 1.134 593 L HN 0.508 nan 8.230 nan 0.000 0.478 594 G N -0.499 108.291 108.800 -0.017 0.000 2.956 594 G HA2 -0.028 3.934 3.960 0.003 0.000 0.207 594 G HA3 -0.028 3.934 3.960 0.003 0.000 0.207 594 G C 0.675 175.561 174.900 -0.023 0.000 1.162 594 G CA 0.175 45.264 45.100 -0.018 0.000 0.796 594 G HN 0.682 nan 8.290 nan 0.000 0.527 595 T N -2.067 112.478 114.554 -0.014 0.000 2.788 595 T HA 0.353 4.705 4.350 0.003 0.000 0.287 595 T C -1.213 173.497 174.700 0.016 0.000 1.007 595 T CA -1.329 60.768 62.100 -0.005 0.000 1.005 595 T CB 1.624 70.498 68.868 0.010 0.000 1.012 595 T HN -0.149 nan 8.240 nan 0.000 0.530 596 P HA -0.059 nan 4.420 nan 0.000 0.218 596 P C 1.638 178.962 177.300 0.040 0.000 1.148 596 P CA 1.291 64.408 63.100 0.029 0.000 0.822 596 P CB -0.315 31.404 31.700 0.033 0.000 0.784 597 T N -5.732 108.854 114.554 0.054 0.000 3.067 597 T HA 0.295 4.647 4.350 0.003 0.000 0.257 597 T C 1.640 176.383 174.700 0.072 0.000 1.105 597 T CA 0.668 62.805 62.100 0.062 0.000 1.104 597 T CB -0.778 68.138 68.868 0.079 0.000 0.925 597 T HN 0.236 nan 8.240 nan 0.000 0.498 598 G N 0.995 109.839 108.800 0.075 0.000 2.179 598 G HA2 -0.187 3.775 3.960 0.003 0.000 0.260 598 G HA3 -0.187 3.775 3.960 0.003 0.000 0.260 598 G C -0.107 174.896 174.900 0.171 0.000 0.977 598 G CA 0.359 45.521 45.100 0.103 0.000 0.641 598 G HN 0.621 nan 8.290 nan 0.000 0.533 599 L N -0.277 121.039 121.223 0.154 0.000 2.256 599 L HA 0.651 4.992 4.340 0.003 0.000 0.261 599 L C 0.799 177.751 176.870 0.138 0.000 1.022 599 L CA -1.585 53.391 54.840 0.226 0.000 0.828 599 L CB 1.521 43.693 42.059 0.187 0.000 1.374 599 L HN -0.028 nan 8.230 nan 0.000 0.436 600 I N 1.212 121.892 120.570 0.183 0.000 2.505 600 I HA 0.017 4.189 4.170 0.003 0.000 0.287 600 I C 0.059 176.274 176.117 0.163 0.000 1.104 600 I CA 0.245 61.622 61.300 0.129 0.000 1.387 600 I CB 0.120 38.229 38.000 0.182 0.000 1.404 600 I HN 0.468 nan 8.210 nan 0.000 0.528 601 E N 7.100 127.386 120.200 0.144 0.000 1.963 601 E HA 0.207 4.558 4.350 0.003 0.000 0.274 601 E C 0.751 177.560 176.600 0.348 0.000 1.061 601 E CA -0.179 56.345 56.400 0.207 0.000 0.847 601 E CB 1.153 30.944 29.700 0.152 0.000 1.083 601 E HN 0.643 nan 8.360 nan 0.000 0.402 602 I N 1.901 122.668 120.570 0.327 0.000 2.500 602 I HA -0.146 4.025 4.170 0.003 0.000 0.252 602 I C 0.521 176.824 176.117 0.310 0.000 1.142 602 I CA 0.859 62.323 61.300 0.273 0.000 1.451 602 I CB 0.190 38.273 38.000 0.138 0.000 1.093 602 I HN 0.443 nan 8.210 nan 0.000 0.430 603 Y N 0.452 120.901 120.300 0.248 0.000 2.352 603 Y HA 0.381 4.933 4.550 0.003 0.000 0.339 603 Y C 0.007 176.063 175.900 0.260 0.000 0.992 603 Y CA -0.758 57.495 58.100 0.256 0.000 1.100 603 Y CB 1.620 40.183 38.460 0.172 0.000 1.192 603 Y HN -0.249 nan 8.280 nan 0.000 0.458 604 S N 5.938 121.650 115.700 0.020 0.000 2.594 604 S HA 0.294 4.766 4.470 0.003 0.000 0.322 604 S C 0.586 175.168 174.600 -0.030 0.000 1.085 604 S CA -0.693 57.530 58.200 0.039 0.000 1.116 604 S CB 0.678 63.840 63.200 -0.063 0.000 0.979 604 S HN 0.954 nan 8.310 nan 0.000 0.465 605 K N 3.584 124.073 120.400 0.148 0.000 2.103 605 K HA -0.118 4.203 4.320 0.003 0.000 0.207 605 K C 1.691 178.289 176.600 -0.003 0.000 1.048 605 K CA 1.749 58.118 56.287 0.137 0.000 0.930 605 K CB -0.139 32.447 32.500 0.144 0.000 0.716 605 K HN 0.692 nan 8.250 nan 0.000 0.444 606 N N 0.392 119.068 118.700 -0.040 0.000 2.104 606 N HA -0.148 4.594 4.740 0.003 0.000 0.190 606 N C 1.783 177.159 175.510 -0.223 0.000 1.024 606 N CA 1.005 53.993 53.050 -0.103 0.000 0.853 606 N CB -0.054 38.395 38.487 -0.065 0.000 1.008 606 N HN 0.114 nan 8.380 nan 0.000 0.424 607 I N 0.991 121.377 120.570 -0.306 0.000 2.315 607 I HA -0.209 3.962 4.170 0.003 0.000 0.248 607 I C 2.503 178.456 176.117 -0.273 0.000 1.117 607 I CA 0.876 61.959 61.300 -0.363 0.000 1.404 607 I CB -0.213 37.569 38.000 -0.363 0.000 1.071 607 I HN 0.243 nan 8.210 nan 0.000 0.419 608 E N 1.717 121.795 120.200 -0.203 0.000 2.070 608 E HA -0.295 4.056 4.350 0.003 0.000 0.197 608 E C 2.051 178.569 176.600 -0.136 0.000 1.004 608 E CA 1.600 57.920 56.400 -0.134 0.000 0.805 608 E CB 0.054 29.762 29.700 0.013 0.000 0.744 608 E HN 0.398 nan 8.360 nan 0.000 0.451 609 K N -0.268 120.054 120.400 -0.131 0.000 2.281 609 K HA -0.123 4.199 4.320 0.003 0.000 0.203 609 K C 2.133 178.601 176.600 -0.221 0.000 1.046 609 K CA 1.422 57.628 56.287 -0.135 0.000 0.938 609 K CB -0.084 32.354 32.500 -0.104 0.000 0.737 609 K HN 0.270 nan 8.250 nan 0.000 0.458 610 M N -0.692 118.692 119.600 -0.360 0.000 2.229 610 M HA -0.037 4.444 4.480 0.003 0.000 0.264 610 M C 1.180 177.120 176.300 -0.601 0.000 1.063 610 M CA 1.375 56.293 55.300 -0.637 0.000 1.114 610 M CB -0.091 31.850 32.600 -1.099 0.000 1.387 610 M HN 0.413 nan 8.290 nan 0.000 0.420 611 G N 0.553 109.134 108.800 -0.365 0.000 2.198 611 G HA2 -0.263 3.699 3.960 0.003 0.000 0.257 611 G HA3 -0.263 3.699 3.960 0.003 0.000 0.257 611 G C -0.402 174.494 174.900 -0.007 0.000 1.042 611 G CA -0.382 44.623 45.100 -0.157 0.000 0.791 611 G HN 0.587 nan 8.290 nan 0.000 0.502 612 Y N 0.964 121.232 120.300 -0.053 0.000 2.425 612 Y HA 0.251 4.802 4.550 0.003 0.000 0.347 612 Y C 1.746 177.619 175.900 -0.045 0.000 0.976 612 Y CA -0.742 57.335 58.100 -0.038 0.000 1.190 612 Y CB 0.847 39.285 38.460 -0.037 0.000 1.136 612 Y HN 0.324 nan 8.280 nan 0.000 0.517 613 D N 0.414 120.886 120.400 0.120 0.000 2.178 613 D HA -0.238 4.404 4.640 0.003 0.000 0.201 613 D C 0.806 177.116 176.300 0.018 0.000 0.980 613 D CA 1.339 55.362 54.000 0.038 0.000 0.842 613 D CB -0.278 40.541 40.800 0.031 0.000 0.948 613 D HN 0.631 nan 8.370 nan 0.000 0.472 614 D N -0.978 119.458 120.400 0.060 0.000 2.319 614 D HA 0.025 4.667 4.640 0.003 0.000 0.230 614 D C -0.150 176.189 176.300 0.065 0.000 1.094 614 D CA -0.562 53.477 54.000 0.065 0.000 0.856 614 D CB -0.600 40.277 40.800 0.129 0.000 0.915 614 D HN 0.231 nan 8.370 nan 0.000 0.517 615 C N 1.069 120.410 119.300 0.067 0.000 3.355 615 C HA 0.367 4.829 4.460 0.003 0.000 0.287 615 C C -2.679 172.324 174.990 0.022 0.000 1.036 615 C CA -1.492 57.572 59.018 0.076 0.000 1.246 615 C CB -0.630 27.209 27.740 0.165 0.000 1.754 615 C HN 0.047 nan 8.230 nan 0.000 0.592 616 P HA 0.169 nan 4.420 nan 0.000 0.272 616 P C 0.473 177.636 177.300 -0.228 0.000 1.248 616 P CA 0.353 63.307 63.100 -0.244 0.000 0.799 616 P CB 0.706 32.139 31.700 -0.445 0.000 0.997 617 A N 0.011 122.603 122.820 -0.380 0.000 2.238 617 A HA 0.070 4.391 4.320 0.003 0.000 0.208 617 A C 0.362 177.638 177.584 -0.513 0.000 1.177 617 A CA 0.955 52.726 52.037 -0.443 0.000 0.804 617 A CB -1.252 17.276 19.000 -0.788 0.000 0.823 617 A HN 0.802 nan 8.150 nan 0.000 0.482 618 H N -4.548 114.179 119.070 -0.572 0.000 2.980 618 H HA 0.638 5.196 4.556 0.003 0.000 0.367 618 H C -3.560 171.091 175.328 -1.128 0.000 1.206 618 H CA -2.932 52.620 56.048 -0.828 0.000 1.126 618 H CB -0.012 29.607 29.762 -0.237 0.000 1.838 618 H HN -0.191 nan 8.280 nan 0.000 0.552 619 P HA 0.127 nan 4.420 nan 0.000 0.262 619 P C -0.700 176.504 177.300 -0.161 0.000 1.182 619 P CA 0.405 63.065 63.100 -0.735 0.000 0.761 619 P CB 0.476 31.791 31.700 -0.643 0.000 0.795 620 T N 3.373 117.824 114.554 -0.172 0.000 2.933 620 T HA 0.229 4.581 4.350 0.003 0.000 0.305 620 T C -1.289 173.487 174.700 0.127 0.000 1.092 620 T CA -0.574 61.478 62.100 -0.080 0.000 1.008 620 T CB 1.046 69.678 68.868 -0.393 0.000 1.102 620 T HN 0.410 nan 8.240 nan 0.000 0.469 621 W N 5.818 127.247 121.300 0.215 0.000 2.304 621 W HA 0.580 5.241 4.660 0.003 0.000 0.313 621 W C -1.520 175.041 176.519 0.070 0.000 1.323 621 W CA -0.394 57.070 57.345 0.198 0.000 1.223 621 W CB 0.306 30.010 29.460 0.406 0.000 1.237 621 W HN 0.532 nan 8.180 nan 0.000 0.535 622 M N 4.794 123.793 119.600 -1.002 0.000 2.446 622 M HA 0.126 4.608 4.480 0.003 0.000 0.294 622 M C -0.262 175.305 176.300 -1.223 0.000 1.158 622 M CA -0.802 53.899 55.300 -0.999 0.000 0.899 622 M CB 2.521 34.486 32.600 -1.059 0.000 1.687 622 M HN 0.267 nan 8.290 nan 0.000 0.455 623 E N 4.165 123.969 120.200 -0.661 0.000 2.324 623 E HA 0.271 4.622 4.350 0.003 0.000 0.271 623 E C -2.226 174.320 176.600 -0.091 0.000 1.028 623 E CA -1.231 54.970 56.400 -0.332 0.000 0.890 623 E CB 0.483 30.162 29.700 -0.035 0.000 1.004 623 E HN 0.313 nan 8.360 nan 0.000 0.431 624 P HA 0.017 nan 4.420 nan 0.000 0.275 624 P C 1.052 178.502 177.300 0.251 0.000 1.266 624 P CA -0.467 62.729 63.100 0.160 0.000 0.793 624 P CB 0.844 32.628 31.700 0.140 0.000 1.074 625 L N -0.631 120.818 121.223 0.377 0.000 2.043 625 L HA -0.132 4.210 4.340 0.003 0.000 0.212 625 L C 0.864 177.793 176.870 0.100 0.000 1.075 625 L CA 1.960 56.876 54.840 0.128 0.000 0.752 625 L CB -0.545 41.467 42.059 -0.080 0.000 0.891 625 L HN 0.634 nan 8.230 nan 0.000 0.432 626 E N -0.853 119.414 120.200 0.111 0.000 2.347 626 E HA 0.454 4.806 4.350 0.003 0.000 0.285 626 E C -1.105 175.585 176.600 0.149 0.000 0.925 626 E CA -0.957 55.512 56.400 0.115 0.000 0.779 626 E CB 1.332 31.090 29.700 0.097 0.000 1.233 626 E HN 0.394 nan 8.360 nan 0.000 0.414 627 R N 1.777 122.372 120.500 0.159 0.000 2.707 627 R HA 0.472 4.814 4.340 0.003 0.000 0.272 627 R C -1.121 175.276 176.300 0.161 0.000 1.011 627 R CA -1.174 55.039 56.100 0.188 0.000 0.893 627 R CB 1.072 31.488 30.300 0.193 0.000 1.233 627 R HN 0.481 nan 8.270 nan 0.000 0.464 628 L N 3.393 124.717 121.223 0.169 0.000 2.667 628 L HA 0.022 4.364 4.340 0.003 0.000 0.278 628 L C -0.415 176.501 176.870 0.077 0.000 1.217 628 L CA 1.365 56.277 54.840 0.121 0.000 0.935 628 L CB -0.538 41.583 42.059 0.102 0.000 1.193 628 L HN 0.838 nan 8.230 nan 0.000 0.493 629 D N 2.286 122.723 120.400 0.062 0.000 2.945 629 D HA -0.174 4.467 4.640 0.003 0.000 0.225 629 D C 0.565 176.897 176.300 0.053 0.000 1.158 629 D CA 1.163 55.186 54.000 0.039 0.000 0.805 629 D CB -1.532 39.275 40.800 0.012 0.000 1.098 629 D HN 0.875 nan 8.370 nan 0.000 0.426 630 G N 0.049 108.898 108.800 0.082 0.000 2.616 630 G HA2 0.493 4.454 3.960 0.003 0.000 0.268 630 G HA3 0.493 4.454 3.960 0.003 0.000 0.268 630 G C -2.426 172.521 174.900 0.079 0.000 1.213 630 G CA -0.912 44.250 45.100 0.103 0.000 0.926 630 G HN -0.066 nan 8.290 nan 0.000 0.523 631 P HA 0.272 nan 4.420 nan 0.000 0.276 631 P C 0.744 178.079 177.300 0.059 0.000 1.253 631 P CA 0.969 64.109 63.100 0.067 0.000 0.766 631 P CB 1.106 32.853 31.700 0.079 0.000 0.845 632 G N 2.553 111.378 108.800 0.041 0.000 2.159 632 G HA2 -0.207 3.754 3.960 0.003 0.000 0.256 632 G HA3 -0.207 3.754 3.960 0.003 0.000 0.256 632 G C 0.439 175.358 174.900 0.032 0.000 0.977 632 G CA -0.056 45.064 45.100 0.032 0.000 0.652 632 G HN 0.851 nan 8.290 nan 0.000 0.531 633 A N 0.094 122.939 122.820 0.041 0.000 2.522 633 A HA 0.556 4.878 4.320 0.003 0.000 0.256 633 A C 1.320 178.908 177.584 0.006 0.000 1.086 633 A CA 1.552 53.618 52.037 0.049 0.000 0.763 633 A CB 0.315 19.356 19.000 0.068 0.000 1.024 633 A HN 0.649 nan 8.150 nan 0.000 0.502 634 K N 2.302 122.699 120.400 -0.006 0.000 2.076 634 K HA -0.000 4.321 4.320 0.003 0.000 0.204 634 K C -0.447 175.966 176.600 -0.311 0.000 1.051 634 K CA 0.901 57.087 56.287 -0.168 0.000 0.949 634 K CB -0.081 32.292 32.500 -0.211 0.000 0.726 634 K HN 0.732 nan 8.250 nan 0.000 0.443 635 Y N 0.255 120.554 120.300 -0.002 0.000 2.419 635 Y HA 0.206 4.758 4.550 0.003 0.000 0.328 635 Y C -1.575 174.321 175.900 -0.008 0.000 1.162 635 Y CA -2.245 55.841 58.100 -0.022 0.000 1.174 635 Y CB 1.444 39.874 38.460 -0.051 0.000 1.228 635 Y HN 0.064 nan 8.280 nan 0.000 0.473 636 P HA 0.062 nan 4.420 nan 0.000 0.234 636 P C -0.481 176.867 177.300 0.080 0.000 1.175 636 P CA 0.959 64.105 63.100 0.077 0.000 0.801 636 P CB 1.164 32.895 31.700 0.051 0.000 0.891 637 L N -0.194 121.079 121.223 0.083 0.000 2.365 637 L HA 0.439 4.781 4.340 0.003 0.000 0.273 637 L C 0.139 177.059 176.870 0.084 0.000 1.000 637 L CA -1.192 53.694 54.840 0.077 0.000 0.819 637 L CB 1.817 43.903 42.059 0.046 0.000 1.284 637 L HN -0.095 nan 8.230 nan 0.000 0.418 638 H N 3.110 122.205 119.070 0.042 0.000 2.646 638 H HA 0.423 4.980 4.556 0.003 0.000 0.325 638 H C -0.632 174.722 175.328 0.043 0.000 1.075 638 H CA -0.156 55.921 56.048 0.049 0.000 1.421 638 H CB 0.751 30.549 29.762 0.061 0.000 1.461 638 H HN 0.396 nan 8.280 nan 0.000 0.525 639 I N 4.901 125.196 120.570 -0.458 0.000 2.304 639 I HA 0.221 4.393 4.170 0.003 0.000 0.291 639 I C 0.200 176.229 176.117 -0.147 0.000 1.018 639 I CA -0.694 60.480 61.300 -0.209 0.000 1.260 639 I CB 1.241 39.145 38.000 -0.160 0.000 1.390 639 I HN 0.721 nan 8.210 nan 0.000 0.475 640 A N 6.098 128.990 122.820 0.121 0.000 2.915 640 A HA 0.498 4.819 4.320 0.003 0.000 0.292 640 A C 0.947 178.637 177.584 0.178 0.000 1.632 640 A CA -0.388 51.792 52.037 0.237 0.000 1.337 640 A CB -0.346 18.803 19.000 0.248 0.000 1.111 640 A HN 0.840 nan 8.150 nan 0.000 0.569 641 A N 2.787 125.701 122.820 0.156 0.000 3.051 641 A HA 0.463 4.785 4.320 0.003 0.000 0.257 641 A C 1.086 178.841 177.584 0.284 0.000 1.785 641 A CA 0.316 52.456 52.037 0.172 0.000 1.420 641 A CB -1.083 17.980 19.000 0.106 0.000 1.063 641 A HN 1.073 nan 8.150 nan 0.000 0.630 642 S N 0.076 116.001 115.700 0.376 0.000 2.738 642 S HA 0.416 4.887 4.470 0.003 0.000 0.284 642 S C 0.053 174.958 174.600 0.508 0.000 1.146 642 S CA -0.671 57.813 58.200 0.475 0.000 0.997 642 S CB 0.206 63.661 63.200 0.425 0.000 1.081 642 S HN 0.609 nan 8.310 nan 0.000 0.553 643 H N 2.138 121.301 119.070 0.154 0.000 2.732 643 H HA 0.241 4.799 4.556 0.003 0.000 0.351 643 H C -2.094 172.974 175.328 -0.434 0.000 1.090 643 H CA -1.289 54.738 56.048 -0.035 0.000 1.431 643 H CB 0.424 30.170 29.762 -0.028 0.000 1.447 643 H HN 0.494 nan 8.280 nan 0.000 0.582 644 P HA -0.070 nan 4.420 nan 0.000 0.275 644 P C 0.221 177.152 177.300 -0.615 0.000 1.227 644 P CA 0.103 62.654 63.100 -0.915 0.000 0.781 644 P CB 0.777 32.274 31.700 -0.338 0.000 0.906 645 F N 2.666 122.197 119.950 -0.699 0.000 2.206 645 F HA -0.020 4.508 4.527 0.003 0.000 0.298 645 F C 1.487 177.239 175.800 -0.079 0.000 1.090 645 F CA 1.290 59.154 58.000 -0.227 0.000 1.323 645 F CB 0.239 39.220 39.000 -0.033 0.000 1.028 645 F HN 0.252 nan 8.300 nan 0.000 0.492 646 N N 0.470 119.254 118.700 0.140 0.000 2.338 646 N HA 0.204 4.945 4.740 0.003 0.000 0.251 646 N C -0.642 174.957 175.510 0.149 0.000 1.199 646 N CA 0.112 53.274 53.050 0.186 0.000 0.879 646 N CB 0.633 39.287 38.487 0.278 0.000 1.159 646 N HN 0.234 nan 8.380 nan 0.000 0.514 647 R N -0.001 120.552 120.500 0.088 0.000 2.781 647 R HA 0.382 4.724 4.340 0.003 0.000 0.269 647 R C -1.342 175.040 176.300 0.136 0.000 1.025 647 R CA -0.912 55.286 56.100 0.163 0.000 0.914 647 R CB 1.596 31.964 30.300 0.114 0.000 1.236 647 R HN -0.090 nan 8.270 nan 0.000 0.465 648 L N 3.099 124.454 121.223 0.220 0.000 2.314 648 L HA 0.303 4.645 4.340 0.003 0.000 0.275 648 L C 0.105 176.889 176.870 -0.143 0.000 1.068 648 L CA 0.475 55.240 54.840 -0.124 0.000 0.894 648 L CB -0.762 41.201 42.059 -0.159 0.000 1.275 648 L HN 0.652 nan 8.230 nan 0.000 0.432 649 H N 1.519 120.547 119.070 -0.070 0.000 1.452 649 H HA -0.278 4.279 4.556 0.003 0.000 0.090 649 H C 1.398 176.805 175.328 0.131 0.000 0.625 649 H CA 1.606 57.630 56.048 -0.040 0.000 1.901 649 H CB -1.613 28.129 29.762 -0.034 0.000 2.257 649 H HN 0.644 nan 8.280 nan 0.000 0.961 650 S N 2.724 118.667 115.700 0.405 0.000 2.558 650 S HA 0.053 4.525 4.470 0.003 0.000 0.217 650 S C 0.575 175.506 174.600 0.551 0.000 0.975 650 S CA 0.328 58.834 58.200 0.509 0.000 0.912 650 S CB 0.125 63.662 63.200 0.562 0.000 0.776 650 S HN 0.403 nan 8.310 nan 0.000 0.526 651 Q N 1.058 121.132 119.800 0.456 0.000 2.337 651 Q HA 0.368 4.710 4.340 0.003 0.000 0.270 651 Q C 0.307 176.538 176.000 0.385 0.000 1.002 651 Q CA 0.440 56.534 55.803 0.485 0.000 0.888 651 Q CB 0.423 29.519 28.738 0.596 0.000 1.222 651 Q HN 0.493 nan 8.270 nan 0.000 0.400 652 L N 0.384 121.785 121.223 0.297 0.000 4.950 652 L HA -0.325 4.017 4.340 0.003 0.000 0.413 652 L C 1.229 178.080 176.870 -0.032 0.000 1.020 652 L CA 0.208 55.115 54.840 0.111 0.000 1.239 652 L CB -1.473 40.617 42.059 0.053 0.000 2.004 652 L HN 0.624 nan 8.230 nan 0.000 0.658 653 N N 1.764 120.373 118.700 -0.153 0.000 2.166 653 N HA -0.060 4.682 4.740 0.003 0.000 0.186 653 N C 1.516 176.574 175.510 -0.754 0.000 1.019 653 N CA 1.832 54.596 53.050 -0.476 0.000 0.856 653 N CB -0.091 37.877 38.487 -0.864 0.000 0.993 653 N HN 0.481 nan 8.380 nan 0.000 0.426 654 G N -0.172 108.112 108.800 -0.861 0.000 3.452 654 G HA2 0.161 4.122 3.960 0.003 0.000 0.258 654 G HA3 0.161 4.122 3.960 0.003 0.000 0.258 654 G C -0.046 174.731 174.900 -0.205 0.000 1.305 654 G CA 0.458 45.270 45.100 -0.481 0.000 1.514 654 G HN 0.470 nan 8.290 nan 0.000 0.593 655 T N -4.277 110.117 114.554 -0.267 0.000 2.831 655 T HA 0.373 4.725 4.350 0.003 0.000 0.287 655 T C 1.450 176.011 174.700 -0.231 0.000 1.070 655 T CA 0.127 62.125 62.100 -0.170 0.000 1.010 655 T CB 1.327 70.121 68.868 -0.124 0.000 1.264 655 T HN 0.368 nan 8.240 nan 0.000 0.532 656 V N -0.036 119.770 119.914 -0.181 0.000 2.688 656 V HA -0.023 4.099 4.120 0.003 0.000 0.256 656 V C 2.322 178.286 176.094 -0.216 0.000 1.084 656 V CA 1.293 63.478 62.300 -0.191 0.000 1.103 656 V CB -1.626 30.107 31.823 -0.150 0.000 0.688 656 V HN 0.772 nan 8.190 nan 0.000 0.480 657 L N -0.220 120.885 121.223 -0.198 0.000 2.191 657 L HA -0.141 4.200 4.340 0.003 0.000 0.212 657 L C 2.934 179.577 176.870 -0.378 0.000 1.103 657 L CA 2.040 56.777 54.840 -0.172 0.000 0.769 657 L CB -0.728 41.306 42.059 -0.042 0.000 0.908 657 L HN 0.310 nan 8.230 nan 0.000 0.438 658 R N 1.015 121.200 120.500 -0.525 0.000 2.103 658 R HA -0.236 4.106 4.340 0.003 0.000 0.242 658 R C 2.228 178.025 176.300 -0.840 0.000 1.142 658 R CA 2.083 57.630 56.100 -0.921 0.000 0.960 658 R CB -0.190 29.672 30.300 -0.730 0.000 0.858 658 R HN 0.600 nan 8.270 nan 0.000 0.439 659 E N -1.239 118.669 120.200 -0.487 0.000 2.338 659 E HA -0.106 4.246 4.350 0.003 0.000 0.197 659 E C 1.655 178.095 176.600 -0.267 0.000 1.007 659 E CA 1.157 57.364 56.400 -0.322 0.000 0.849 659 E CB -0.193 29.374 29.700 -0.221 0.000 0.774 659 E HN 0.482 nan 8.360 nan 0.000 0.506 660 G N 0.666 109.292 108.800 -0.289 0.000 2.484 660 G HA2 -0.212 3.750 3.960 0.003 0.000 0.218 660 G HA3 -0.212 3.750 3.960 0.003 0.000 0.218 660 G C 1.094 175.962 174.900 -0.054 0.000 1.130 660 G CA 0.936 45.954 45.100 -0.138 0.000 0.784 660 G HN 0.557 nan 8.290 nan 0.000 0.543 661 Y N -1.697 118.601 120.300 -0.004 0.000 2.432 661 Y HA 0.722 5.273 4.550 0.003 0.000 0.252 661 Y C 1.138 177.056 175.900 0.030 0.000 1.097 661 Y CA -1.095 57.020 58.100 0.025 0.000 1.250 661 Y CB -0.473 38.031 38.460 0.072 0.000 1.245 661 Y HN 0.159 nan 8.280 nan 0.000 0.522 662 A N 1.536 124.320 122.820 -0.060 0.000 2.445 662 A HA 0.524 4.846 4.320 0.003 0.000 0.242 662 A C -0.439 177.178 177.584 0.055 0.000 1.075 662 A CA -0.139 51.934 52.037 0.060 0.000 0.777 662 A CB 0.260 19.229 19.000 -0.052 0.000 1.013 662 A HN 0.207 nan 8.150 nan 0.000 0.493 663 V N 3.485 123.453 119.914 0.090 0.000 2.326 663 V HA 0.265 4.387 4.120 0.003 0.000 0.281 663 V C 0.147 176.313 176.094 0.121 0.000 1.015 663 V CA -0.225 62.125 62.300 0.084 0.000 0.823 663 V CB 0.459 32.332 31.823 0.083 0.000 1.009 663 V HN 1.067 nan 8.190 nan 0.000 0.436 664 Q N 3.563 123.409 119.800 0.078 0.000 2.457 664 Q HA -0.292 4.049 4.340 0.003 0.000 0.283 664 Q C 1.305 177.289 176.000 -0.026 0.000 1.234 664 Q CA 0.862 56.714 55.803 0.081 0.000 0.877 664 Q CB -1.376 27.463 28.738 0.169 0.000 1.250 664 Q HN 1.544 nan 8.270 nan 0.000 0.481 665 G N -1.211 107.548 108.800 -0.069 0.000 2.225 665 G HA2 -0.299 3.663 3.960 0.003 0.000 0.254 665 G HA3 -0.299 3.663 3.960 0.003 0.000 0.254 665 G C 0.069 174.894 174.900 -0.125 0.000 0.988 665 G CA 0.511 45.528 45.100 -0.139 0.000 0.625 665 G HN 0.575 nan 8.290 nan 0.000 0.527 666 H N 0.497 119.610 119.070 0.072 0.000 2.508 666 H HA 0.547 5.105 4.556 0.003 0.000 0.344 666 H C 0.423 175.631 175.328 -0.201 0.000 1.192 666 H CA -0.279 55.703 56.048 -0.109 0.000 1.290 666 H CB 1.272 30.954 29.762 -0.133 0.000 1.571 666 H HN 0.293 nan 8.280 nan 0.000 0.555 667 E N 2.674 122.588 120.200 -0.475 0.000 2.414 667 E HA 0.068 4.420 4.350 0.003 0.000 0.263 667 E C -2.319 174.275 176.600 -0.009 0.000 1.000 667 E CA -1.275 55.025 56.400 -0.167 0.000 0.914 667 E CB 0.288 29.821 29.700 -0.278 0.000 0.948 667 E HN 0.255 nan 8.360 nan 0.000 0.444 668 P HA 0.095 nan 4.420 nan 0.000 0.276 668 P C -0.829 176.452 177.300 -0.032 0.000 1.244 668 P CA -0.553 62.568 63.100 0.035 0.000 0.801 668 P CB 0.976 32.714 31.700 0.064 0.000 1.006 669 C N 4.514 123.793 119.300 -0.034 0.000 2.383 669 C HA 0.481 4.942 4.460 0.003 0.000 0.330 669 C C -0.183 174.782 174.990 -0.041 0.000 1.168 669 C CA -0.770 58.219 59.018 -0.050 0.000 1.374 669 C CB -1.073 26.648 27.740 -0.032 0.000 2.014 669 C HN 0.423 nan 8.230 nan 0.000 0.439 670 L N 6.331 127.517 121.223 -0.061 0.000 2.380 670 L HA 0.484 4.825 4.340 0.003 0.000 0.273 670 L C 0.206 177.078 176.870 0.004 0.000 1.138 670 L CA 0.358 55.178 54.840 -0.033 0.000 0.832 670 L CB 0.983 43.015 42.059 -0.044 0.000 1.124 670 L HN 0.710 nan 8.230 nan 0.000 0.454 671 M N 3.032 122.645 119.600 0.021 0.000 2.378 671 M HA 0.309 4.790 4.480 0.003 0.000 0.289 671 M C -0.714 175.630 176.300 0.073 0.000 1.136 671 M CA -0.652 54.681 55.300 0.055 0.000 0.917 671 M CB 2.084 34.711 32.600 0.045 0.000 1.669 671 M HN 0.572 nan 8.290 nan 0.000 0.461 672 H N 5.586 124.668 119.070 0.021 0.000 2.897 672 H HA 0.170 4.728 4.556 0.003 0.000 0.347 672 H C -1.972 173.367 175.328 0.018 0.000 1.068 672 H CA -0.247 55.813 56.048 0.021 0.000 1.426 672 H CB 1.246 31.023 29.762 0.024 0.000 1.410 672 H HN 0.483 nan 8.280 nan 0.000 0.597 673 P HA -0.162 nan 4.420 nan 0.000 0.217 673 P C 0.754 178.129 177.300 0.125 0.000 1.148 673 P CA 1.302 64.371 63.100 -0.050 0.000 0.828 673 P CB 0.420 32.037 31.700 -0.139 0.000 0.783 674 D N -0.715 119.920 120.400 0.391 0.000 2.149 674 D HA -0.108 4.533 4.640 0.003 0.000 0.201 674 D C 1.605 177.992 176.300 0.146 0.000 0.972 674 D CA 0.935 55.075 54.000 0.233 0.000 0.835 674 D CB -0.712 40.198 40.800 0.184 0.000 0.966 674 D HN 0.143 nan 8.370 nan 0.000 0.476 675 D N 0.592 121.094 120.400 0.171 0.000 2.144 675 D HA -0.065 4.577 4.640 0.003 0.000 0.200 675 D C 2.009 178.357 176.300 0.080 0.000 0.978 675 D CA 1.073 55.130 54.000 0.095 0.000 0.833 675 D CB -0.158 40.697 40.800 0.093 0.000 0.961 675 D HN 0.127 nan 8.370 nan 0.000 0.470 676 A N 1.181 124.051 122.820 0.083 0.000 1.873 676 A HA -0.016 4.306 4.320 0.003 0.000 0.215 676 A C 2.333 179.946 177.584 0.047 0.000 1.186 676 A CA 2.092 54.163 52.037 0.056 0.000 0.616 676 A CB -0.701 18.324 19.000 0.042 0.000 0.823 676 A HN 0.225 nan 8.150 nan 0.000 0.442 677 A N -0.094 122.756 122.820 0.050 0.000 1.933 677 A HA 0.149 4.471 4.320 0.003 0.000 0.218 677 A C 2.445 180.052 177.584 0.038 0.000 1.175 677 A CA 2.017 54.078 52.037 0.040 0.000 0.628 677 A CB -0.952 18.073 19.000 0.043 0.000 0.814 677 A HN 1.102 nan 8.150 nan 0.000 0.444 678 A N -0.540 122.306 122.820 0.043 0.000 2.070 678 A HA -0.100 4.221 4.320 0.003 0.000 0.220 678 A C 2.080 179.685 177.584 0.036 0.000 1.159 678 A CA 1.408 53.467 52.037 0.036 0.000 0.656 678 A CB -0.295 18.726 19.000 0.035 0.000 0.800 678 A HN 0.548 nan 8.150 nan 0.000 0.453 679 R N -1.653 118.871 120.500 0.040 0.000 2.432 679 R HA 0.275 4.617 4.340 0.003 0.000 0.260 679 R C 1.062 177.384 176.300 0.037 0.000 0.935 679 R CA 0.430 56.556 56.100 0.042 0.000 1.080 679 R CB 0.176 30.506 30.300 0.050 0.000 1.155 679 R HN 0.557 nan 8.270 nan 0.000 0.531 680 G N 1.921 110.740 108.800 0.032 0.000 2.225 680 G HA2 -0.290 3.672 3.960 0.003 0.000 0.267 680 G HA3 -0.290 3.672 3.960 0.003 0.000 0.267 680 G C 0.093 175.010 174.900 0.028 0.000 1.024 680 G CA 0.115 45.231 45.100 0.027 0.000 0.784 680 G HN 0.271 nan 8.290 nan 0.000 0.507 681 I N 0.928 121.517 120.570 0.032 0.000 2.365 681 I HA 0.574 4.745 4.170 0.003 0.000 0.291 681 I C 0.784 176.917 176.117 0.026 0.000 1.004 681 I CA -0.134 61.185 61.300 0.032 0.000 1.311 681 I CB 1.532 39.553 38.000 0.036 0.000 1.401 681 I HN 0.297 nan 8.210 nan 0.000 0.491 682 A N 4.306 127.141 122.820 0.024 0.000 2.311 682 A HA 0.375 4.697 4.320 0.003 0.000 0.334 682 A C -0.626 176.969 177.584 0.018 0.000 1.139 682 A CA -0.654 51.394 52.037 0.019 0.000 0.830 682 A CB 0.822 19.832 19.000 0.017 0.000 1.234 682 A HN 0.731 nan 8.150 nan 0.000 0.483 683 D N 0.017 120.425 120.400 0.013 0.000 2.531 683 D HA 0.350 4.991 4.640 0.003 0.000 0.239 683 D C 1.352 177.663 176.300 0.018 0.000 1.144 683 D CA 2.419 56.426 54.000 0.012 0.000 0.869 683 D CB 0.170 40.973 40.800 0.005 0.000 1.160 683 D HN 1.290 nan 8.370 nan 0.000 0.484 684 G N 3.037 111.851 108.800 0.024 0.000 2.213 684 G HA2 -0.240 3.722 3.960 0.003 0.000 0.236 684 G HA3 -0.240 3.722 3.960 0.003 0.000 0.236 684 G C 0.069 174.995 174.900 0.043 0.000 0.991 684 G CA 0.022 45.141 45.100 0.033 0.000 0.629 684 G HN 0.617 nan 8.290 nan 0.000 0.517 685 D N 0.551 120.974 120.400 0.038 0.000 2.362 685 D HA 0.445 5.086 4.640 0.003 0.000 0.242 685 D C 0.890 177.214 176.300 0.039 0.000 1.132 685 D CA -0.035 53.992 54.000 0.045 0.000 0.907 685 D CB 1.598 42.423 40.800 0.042 0.000 1.195 685 D HN 0.198 nan 8.370 nan 0.000 0.429 686 V N 1.903 121.845 119.914 0.046 0.000 2.583 686 V HA 0.335 4.456 4.120 0.003 0.000 0.287 686 V C 0.558 176.661 176.094 0.014 0.000 1.051 686 V CA -0.413 61.870 62.300 -0.028 0.000 1.010 686 V CB 1.156 32.950 31.823 -0.048 0.000 0.988 686 V HN 0.390 nan 8.190 nan 0.000 0.478 687 V N 2.662 122.548 119.914 -0.047 0.000 3.040 687 V HA 0.721 4.843 4.120 0.003 0.000 0.312 687 V C -0.514 175.571 176.094 -0.015 0.000 1.115 687 V CA -1.256 61.059 62.300 0.026 0.000 0.998 687 V CB 2.034 33.873 31.823 0.027 0.000 1.042 687 V HN 0.837 nan 8.190 nan 0.000 0.433 688 R N 1.519 122.071 120.500 0.087 0.000 2.338 688 R HA 0.766 5.108 4.340 0.003 0.000 0.317 688 R C -1.570 174.822 176.300 0.153 0.000 0.968 688 R CA -0.456 55.697 56.100 0.088 0.000 0.849 688 R CB 1.769 32.168 30.300 0.165 0.000 1.128 688 R HN 0.780 nan 8.270 nan 0.000 0.448 689 V N 5.414 125.386 119.914 0.096 0.000 2.370 689 V HA 0.420 4.542 4.120 0.003 0.000 0.283 689 V C -0.700 175.447 176.094 0.089 0.000 1.023 689 V CA -0.657 61.678 62.300 0.059 0.000 0.857 689 V CB 1.014 32.829 31.823 -0.013 0.000 0.985 689 V HN 1.024 nan 8.190 nan 0.000 0.443 690 H N 2.598 121.622 119.070 -0.077 0.000 3.042 690 H HA 0.847 5.404 4.556 0.003 0.000 0.346 690 H C -0.767 174.378 175.328 -0.306 0.000 1.294 690 H CA -0.847 55.130 56.048 -0.119 0.000 1.141 690 H CB 1.724 31.466 29.762 -0.034 0.000 1.872 690 H HN 0.585 nan 8.280 nan 0.000 0.541 691 N N -0.286 118.207 118.700 -0.345 0.000 3.587 691 N HA 0.163 4.905 4.740 0.003 0.000 0.339 691 N C -0.501 174.862 175.510 -0.245 0.000 1.636 691 N CA -0.629 51.897 53.050 -0.874 0.000 0.788 691 N CB -0.031 37.821 38.487 -1.058 0.000 2.205 691 N HN 0.530 nan 8.380 nan 0.000 0.600 692 D N -0.848 119.482 120.400 -0.118 0.000 2.347 692 D HA 0.100 4.742 4.640 0.003 0.000 0.215 692 D C 1.027 177.337 176.300 0.017 0.000 0.976 692 D CA 0.651 54.700 54.000 0.081 0.000 0.884 692 D CB 0.154 41.050 40.800 0.161 0.000 0.915 692 D HN 0.402 nan 8.370 nan 0.000 0.526 693 R N -0.514 119.962 120.500 -0.041 0.000 2.206 693 R HA 0.365 4.707 4.340 0.003 0.000 0.198 693 R C 1.191 177.475 176.300 -0.027 0.000 0.986 693 R CA 0.415 56.494 56.100 -0.035 0.000 1.029 693 R CB 0.933 31.197 30.300 -0.059 0.000 0.966 693 R HN 0.023 nan 8.270 nan 0.000 0.487 694 G N 0.281 109.063 108.800 -0.029 0.000 2.489 694 G HA2 0.287 4.248 3.960 0.003 0.000 0.305 694 G HA3 0.287 4.248 3.960 0.003 0.000 0.305 694 G C -1.998 172.921 174.900 0.031 0.000 1.311 694 G CA -0.808 44.295 45.100 0.005 0.000 0.813 694 G HN 0.101 nan 8.290 nan 0.000 0.480 695 Q N -1.147 118.686 119.800 0.055 0.000 2.320 695 Q HA 0.707 5.048 4.340 0.003 0.000 0.272 695 Q C -1.021 175.018 176.000 0.065 0.000 1.023 695 Q CA -1.035 54.814 55.803 0.076 0.000 0.855 695 Q CB 2.457 31.238 28.738 0.070 0.000 1.367 695 Q HN 1.227 nan 8.270 nan 0.000 0.406 696 I N -1.006 119.591 120.570 0.046 0.000 3.074 696 I HA 0.649 4.821 4.170 0.003 0.000 0.310 696 I C -1.525 174.561 176.117 -0.051 0.000 1.153 696 I CA -1.635 59.679 61.300 0.024 0.000 0.993 696 I CB 2.046 40.070 38.000 0.040 0.000 1.237 696 I HN 0.640 nan 8.210 nan 0.000 0.443 697 L N 2.649 123.802 121.223 -0.116 0.000 2.322 697 L HA 0.704 5.045 4.340 0.003 0.000 0.279 697 L C 0.015 176.736 176.870 -0.247 0.000 1.036 697 L CA -0.348 54.324 54.840 -0.280 0.000 0.807 697 L CB 1.959 43.711 42.059 -0.511 0.000 1.226 697 L HN 0.903 nan 8.230 nan 0.000 0.433 698 T N -1.251 113.146 114.554 -0.261 0.000 2.812 698 T HA 0.686 5.037 4.350 0.003 0.000 0.294 698 T C -0.350 174.258 174.700 -0.153 0.000 1.159 698 T CA -0.771 61.230 62.100 -0.164 0.000 1.008 698 T CB 1.875 70.691 68.868 -0.088 0.000 1.289 698 T HN 0.649 nan 8.240 nan 0.000 0.514 699 G N 0.236 109.021 108.800 -0.027 0.000 2.417 699 G HA2 0.577 4.539 3.960 0.003 0.000 0.320 699 G HA3 0.577 4.539 3.960 0.003 0.000 0.320 699 G C -0.772 174.136 174.900 0.014 0.000 1.204 699 G CA -0.630 44.483 45.100 0.021 0.000 0.923 699 G HN 0.776 nan 8.290 nan 0.000 0.466 700 V N 2.223 122.144 119.914 0.012 0.000 2.649 700 V HA 0.322 4.444 4.120 0.003 0.000 0.292 700 V C 0.194 176.297 176.094 0.014 0.000 1.055 700 V CA -0.232 62.074 62.300 0.009 0.000 1.023 700 V CB 1.435 33.266 31.823 0.013 0.000 0.992 700 V HN 0.651 nan 8.190 nan 0.000 0.480 701 K N 3.566 123.969 120.400 0.005 0.000 2.394 701 K HA 0.524 4.846 4.320 0.003 0.000 0.260 701 K C -1.186 175.412 176.600 -0.004 0.000 0.967 701 K CA -0.605 55.684 56.287 0.003 0.000 0.855 701 K CB 2.053 34.553 32.500 0.001 0.000 1.101 701 K HN 0.418 nan 8.250 nan 0.000 0.433 702 V N 3.533 123.443 119.914 -0.006 0.000 2.455 702 V HA 0.246 4.367 4.120 0.003 0.000 0.273 702 V C -0.208 175.864 176.094 -0.037 0.000 1.045 702 V CA 0.105 62.395 62.300 -0.017 0.000 0.976 702 V CB 0.829 32.643 31.823 -0.015 0.000 0.993 702 V HN 0.858 nan 8.190 nan 0.000 0.475 703 T N 1.899 116.422 114.554 -0.052 0.000 2.982 703 T HA 0.252 4.603 4.350 0.003 0.000 0.321 703 T C -0.005 174.627 174.700 -0.114 0.000 1.229 703 T CA -0.652 61.409 62.100 -0.065 0.000 1.044 703 T CB 1.707 70.561 68.868 -0.025 0.000 1.184 703 T HN 0.728 nan 8.240 nan 0.000 0.477 704 D N 0.734 121.045 120.400 -0.148 0.000 2.319 704 D HA 0.192 4.834 4.640 0.003 0.000 0.230 704 D C 1.698 178.017 176.300 0.032 0.000 1.094 704 D CA 0.020 53.925 54.000 -0.158 0.000 0.856 704 D CB -0.263 40.416 40.800 -0.203 0.000 0.915 704 D HN 0.583 nan 8.370 nan 0.000 0.517 705 A N 0.378 123.221 122.820 0.039 0.000 2.024 705 A HA 0.047 4.369 4.320 0.003 0.000 0.220 705 A C 1.258 178.920 177.584 0.131 0.000 1.164 705 A CA 1.135 53.224 52.037 0.087 0.000 0.643 705 A CB -0.643 18.392 19.000 0.059 0.000 0.806 705 A HN 0.341 nan 8.150 nan 0.000 0.451 706 V N -1.209 118.780 119.914 0.124 0.000 2.481 706 V HA 0.556 4.678 4.120 0.003 0.000 0.286 706 V C 0.159 176.376 176.094 0.205 0.000 1.042 706 V CA -0.957 61.432 62.300 0.148 0.000 0.928 706 V CB 0.683 32.579 31.823 0.122 0.000 0.986 706 V HN 0.533 nan 8.190 nan 0.000 0.462 707 M N 1.495 121.183 119.600 0.147 0.000 2.232 707 M HA 0.424 4.906 4.480 0.003 0.000 0.321 707 M C 0.169 176.483 176.300 0.022 0.000 1.101 707 M CA -0.271 55.084 55.300 0.093 0.000 1.181 707 M CB 0.140 32.749 32.600 0.014 0.000 1.432 707 M HN 0.694 nan 8.290 nan 0.000 0.457 708 K N 0.891 121.170 120.400 -0.201 0.000 2.489 708 K HA 0.199 4.521 4.320 0.003 0.000 0.278 708 K C 0.951 177.479 176.600 -0.118 0.000 1.000 708 K CA 1.544 57.620 56.287 -0.352 0.000 1.012 708 K CB 0.030 32.215 32.500 -0.525 0.000 0.903 708 K HN 0.963 nan 8.250 nan 0.000 0.485 709 G N 1.576 110.343 108.800 -0.054 0.000 2.194 709 G HA2 -0.214 3.748 3.960 0.003 0.000 0.236 709 G HA3 -0.214 3.748 3.960 0.003 0.000 0.236 709 G C -0.441 174.497 174.900 0.065 0.000 0.987 709 G CA 0.010 45.113 45.100 0.006 0.000 0.635 709 G HN 0.517 nan 8.290 nan 0.000 0.520 710 V N 2.485 122.444 119.914 0.075 0.000 2.588 710 V HA 0.736 4.857 4.120 0.003 0.000 0.304 710 V C 0.469 176.627 176.094 0.106 0.000 1.042 710 V CA -0.520 61.856 62.300 0.126 0.000 0.877 710 V CB 1.796 33.699 31.823 0.134 0.000 0.996 710 V HN 0.680 nan 8.190 nan 0.000 0.425 711 I N 1.452 122.077 120.570 0.091 0.000 2.693 711 I HA 0.720 4.891 4.170 0.003 0.000 0.303 711 I C -0.626 175.514 176.117 0.040 0.000 1.025 711 I CA -0.738 60.593 61.300 0.052 0.000 1.086 711 I CB 2.016 40.030 38.000 0.023 0.000 1.268 711 I HN 0.668 nan 8.210 nan 0.000 0.440 712 Q N 4.793 124.589 119.800 -0.007 0.000 2.341 712 Q HA 0.629 4.970 4.340 0.003 0.000 0.268 712 Q C -1.755 174.164 176.000 -0.136 0.000 1.013 712 Q CA -0.631 55.138 55.803 -0.058 0.000 0.798 712 Q CB 1.863 30.528 28.738 -0.121 0.000 1.253 712 Q HN 0.788 nan 8.270 nan 0.000 0.457 713 I N 4.545 125.064 120.570 -0.086 0.000 2.476 713 I HA 0.259 4.430 4.170 0.003 0.000 0.281 713 I C -0.862 175.286 176.117 0.053 0.000 1.040 713 I CA -0.684 60.579 61.300 -0.061 0.000 1.094 713 I CB 1.178 39.169 38.000 -0.015 0.000 1.219 713 I HN 0.634 nan 8.210 nan 0.000 0.450 714 Y N 3.951 124.292 120.300 0.068 0.000 2.597 714 Y HA 0.041 4.593 4.550 0.003 0.000 0.336 714 Y C 1.088 177.043 175.900 0.092 0.000 1.216 714 Y CA -0.775 57.376 58.100 0.086 0.000 1.463 714 Y CB 0.670 39.163 38.460 0.056 0.000 1.303 714 Y HN 0.562 nan 8.280 nan 0.000 0.576 715 E N 0.665 121.028 120.200 0.271 0.000 2.408 715 E HA 0.393 4.745 4.350 0.003 0.000 0.259 715 E C 0.952 177.667 176.600 0.191 0.000 1.110 715 E CA 0.266 56.776 56.400 0.184 0.000 0.929 715 E CB 0.623 30.397 29.700 0.123 0.000 0.971 715 E HN 0.786 nan 8.360 nan 0.000 0.438 716 G N 0.682 109.614 108.800 0.221 0.000 2.211 716 G HA2 -0.160 3.802 3.960 0.003 0.000 0.201 716 G HA3 -0.160 3.802 3.960 0.003 0.000 0.201 716 G C 0.473 175.623 174.900 0.417 0.000 0.997 716 G CA -0.346 44.928 45.100 0.290 0.000 0.652 716 G HN 0.951 nan 8.290 nan 0.000 0.500 717 G N -0.218 108.845 108.800 0.439 0.000 2.406 717 G HA2 0.366 4.328 3.960 0.003 0.000 0.251 717 G HA3 0.366 4.328 3.960 0.003 0.000 0.251 717 G C 0.139 175.462 174.900 0.706 0.000 1.271 717 G CA -0.301 45.197 45.100 0.663 0.000 0.859 717 G HN 0.264 nan 8.290 nan 0.000 0.540 718 W N 2.337 123.826 121.300 0.316 0.000 2.605 718 W HA 0.193 4.855 4.660 0.003 0.000 0.327 718 W C 0.378 177.014 176.519 0.194 0.000 1.332 718 W CA -1.408 56.016 57.345 0.131 0.000 1.403 718 W CB -0.806 28.579 29.460 -0.124 0.000 1.452 718 W HN 0.461 nan 8.180 nan 0.000 0.503 719 Y N 3.900 124.371 120.300 0.284 0.000 2.944 719 Y HA -0.116 4.436 4.550 0.003 0.000 0.340 719 Y C 0.347 176.328 175.900 0.134 0.000 1.275 719 Y CA 0.837 59.053 58.100 0.192 0.000 1.590 719 Y CB 0.205 38.735 38.460 0.116 0.000 1.218 719 Y HN 0.348 nan 8.280 nan 0.000 0.576 720 D N 8.807 129.092 120.400 -0.192 0.000 2.552 720 D HA 0.277 4.919 4.640 0.003 0.000 0.285 720 D C -3.000 173.093 176.300 -0.345 0.000 1.206 720 D CA -1.992 51.855 54.000 -0.255 0.000 0.826 720 D CB 0.639 41.403 40.800 -0.059 0.000 1.179 720 D HN 0.263 nan 8.370 nan 0.000 0.508 721 P HA 0.057 nan 4.420 nan 0.000 0.268 721 P C 0.670 177.860 177.300 -0.183 0.000 1.205 721 P CA -0.141 62.713 63.100 -0.410 0.000 0.771 721 P CB 1.569 33.006 31.700 -0.440 0.000 0.858 722 S N 0.736 116.385 115.700 -0.086 0.000 2.383 722 S HA -0.099 4.373 4.470 0.003 0.000 0.227 722 S C 0.710 175.279 174.600 -0.051 0.000 1.026 722 S CA 1.401 59.572 58.200 -0.049 0.000 0.981 722 S CB -0.324 62.870 63.200 -0.010 0.000 0.818 722 S HN 0.661 nan 8.310 nan 0.000 0.472 723 D N 0.117 120.492 120.400 -0.041 0.000 2.452 723 D HA 0.147 4.788 4.640 0.003 0.000 0.226 723 D C 0.566 176.855 176.300 -0.018 0.000 1.366 723 D CA -0.359 53.620 54.000 -0.036 0.000 0.986 723 D CB 1.280 42.070 40.800 -0.017 0.000 1.420 723 D HN 0.004 nan 8.370 nan 0.000 0.583 724 V N 2.135 122.030 119.914 -0.031 0.000 3.026 724 V HA -0.050 4.071 4.120 0.003 0.000 0.265 724 V C 1.524 177.638 176.094 0.034 0.000 1.121 724 V CA 2.133 64.445 62.300 0.019 0.000 1.142 724 V CB -1.245 30.574 31.823 -0.006 0.000 0.730 724 V HN 0.660 nan 8.190 nan 0.000 0.503 725 T N -1.861 112.699 114.554 0.010 0.000 3.107 725 T HA 0.141 4.492 4.350 0.003 0.000 0.249 725 T C 0.626 175.340 174.700 0.024 0.000 1.096 725 T CA 0.442 62.552 62.100 0.017 0.000 1.012 725 T CB -0.278 68.590 68.868 0.000 0.000 0.977 725 T HN 0.777 nan 8.240 nan 0.000 0.527 726 E N 2.381 122.598 120.200 0.030 0.000 2.092 726 E HA 0.358 4.709 4.350 0.003 0.000 0.271 726 E C -2.867 173.761 176.600 0.046 0.000 0.919 726 E CA -2.882 53.537 56.400 0.032 0.000 0.760 726 E CB 1.172 30.887 29.700 0.025 0.000 1.106 726 E HN 0.117 nan 8.360 nan 0.000 0.408 727 P HA 0.070 nan 4.420 nan 0.000 0.264 727 P C 0.390 177.720 177.300 0.049 0.000 1.193 727 P CA 0.890 64.018 63.100 0.048 0.000 0.763 727 P CB 0.706 32.428 31.700 0.037 0.000 0.810 728 G N 1.606 110.442 108.800 0.060 0.000 2.143 728 G HA2 -0.264 3.697 3.960 0.003 0.000 0.248 728 G HA3 -0.264 3.697 3.960 0.003 0.000 0.248 728 G C 0.521 175.463 174.900 0.070 0.000 0.991 728 G CA 0.228 45.364 45.100 0.059 0.000 0.689 728 G HN 0.771 nan 8.290 nan 0.000 0.522 729 T N -0.110 114.492 114.554 0.080 0.000 2.939 729 T HA 0.281 4.633 4.350 0.003 0.000 0.319 729 T C 0.842 175.591 174.700 0.082 0.000 1.082 729 T CA 0.278 62.419 62.100 0.070 0.000 1.133 729 T CB 0.290 69.193 68.868 0.059 0.000 1.019 729 T HN 1.055 nan 8.240 nan 0.000 0.548 730 L N 4.452 125.709 121.223 0.056 0.000 2.455 730 L HA 0.291 4.632 4.340 0.003 0.000 0.272 730 L C 0.114 177.013 176.870 0.049 0.000 1.174 730 L CA -0.037 54.835 54.840 0.052 0.000 0.869 730 L CB 0.646 42.723 42.059 0.029 0.000 1.130 730 L HN 0.642 nan 8.230 nan 0.000 0.474 731 D N 3.690 124.147 120.400 0.094 0.000 2.316 731 D HA 0.112 4.753 4.640 0.003 0.000 0.245 731 D C 0.532 176.873 176.300 0.067 0.000 1.171 731 D CA 0.051 54.113 54.000 0.103 0.000 0.856 731 D CB 0.924 41.889 40.800 0.274 0.000 1.090 731 D HN 0.582 nan 8.370 nan 0.000 0.476 732 K N 2.941 123.375 120.400 0.057 0.000 2.366 732 K HA -0.111 4.211 4.320 0.003 0.000 0.198 732 K C 0.755 177.513 176.600 0.264 0.000 1.044 732 K CA 0.541 56.890 56.287 0.103 0.000 0.973 732 K CB 0.234 32.785 32.500 0.086 0.000 0.767 732 K HN 0.519 nan 8.250 nan 0.000 0.475 733 Y N 0.147 120.547 120.300 0.167 0.000 2.422 733 Y HA 0.204 4.756 4.550 0.003 0.000 0.291 733 Y C 0.750 176.814 175.900 0.274 0.000 1.144 733 Y CA 0.907 59.161 58.100 0.257 0.000 1.208 733 Y CB 1.246 39.831 38.460 0.208 0.000 1.195 733 Y HN 0.003 nan 8.280 nan 0.000 0.535 734 G N 1.750 110.583 108.800 0.055 0.000 2.511 734 G HA2 -0.090 3.872 3.960 0.003 0.000 0.230 734 G HA3 -0.090 3.872 3.960 0.003 0.000 0.230 734 G C -1.618 173.383 174.900 0.169 0.000 1.264 734 G CA -0.257 44.829 45.100 -0.023 0.000 0.866 734 G HN 0.297 nan 8.290 nan 0.000 0.523 735 D N 0.784 121.351 120.400 0.279 0.000 2.339 735 D HA 0.311 4.953 4.640 0.003 0.000 0.241 735 D C 1.412 177.789 176.300 0.129 0.000 1.183 735 D CA -0.023 54.131 54.000 0.256 0.000 0.859 735 D CB 1.593 42.563 40.800 0.283 0.000 1.067 735 D HN 0.173 nan 8.370 nan 0.000 0.484 736 V N 4.832 124.808 119.914 0.103 0.000 2.720 736 V HA -0.162 3.959 4.120 0.003 0.000 0.256 736 V C 1.384 177.483 176.094 0.008 0.000 1.082 736 V CA 1.314 63.644 62.300 0.049 0.000 1.101 736 V CB -0.457 31.405 31.823 0.064 0.000 0.693 736 V HN 0.533 nan 8.190 nan 0.000 0.479 737 N N -0.241 118.457 118.700 -0.005 0.000 2.521 737 N HA -0.001 4.741 4.740 0.003 0.000 0.188 737 N C 1.365 176.802 175.510 -0.122 0.000 1.146 737 N CA 0.752 53.762 53.050 -0.067 0.000 0.893 737 N CB 0.556 38.990 38.487 -0.088 0.000 0.975 737 N HN 0.424 nan 8.380 nan 0.000 0.451 738 V N 0.416 120.273 119.914 -0.095 0.000 2.871 738 V HA -0.030 4.092 4.120 0.003 0.000 0.256 738 V C 1.896 177.943 176.094 -0.078 0.000 1.082 738 V CA 0.986 63.222 62.300 -0.106 0.000 1.105 738 V CB -0.084 31.729 31.823 -0.017 0.000 0.713 738 V HN 0.274 nan 8.190 nan 0.000 0.473 739 L N -0.437 120.741 121.223 -0.074 0.000 2.590 739 L HA 0.195 4.537 4.340 0.003 0.000 0.227 739 L C 1.372 178.180 176.870 -0.102 0.000 1.099 739 L CA 0.054 54.838 54.840 -0.092 0.000 0.872 739 L CB -0.092 41.909 42.059 -0.098 0.000 1.088 739 L HN 0.379 nan 8.230 nan 0.000 0.479 740 S N 0.489 116.133 115.700 -0.093 0.000 2.634 740 S HA 0.639 5.110 4.470 0.003 0.000 0.261 740 S C 0.043 174.582 174.600 -0.102 0.000 1.271 740 S CA -0.549 57.596 58.200 -0.092 0.000 0.985 740 S CB 1.662 64.814 63.200 -0.079 0.000 0.968 740 S HN 0.116 nan 8.310 nan 0.000 0.568 741 A N 0.055 122.814 122.820 -0.101 0.000 2.340 741 A HA 0.565 4.887 4.320 0.003 0.000 0.331 741 A C -0.579 176.926 177.584 -0.132 0.000 1.140 741 A CA -0.657 51.315 52.037 -0.109 0.000 0.801 741 A CB 0.817 19.753 19.000 -0.107 0.000 1.234 741 A HN 0.784 nan 8.150 nan 0.000 0.469 742 D N 2.181 122.504 120.400 -0.128 0.000 2.557 742 D HA 0.431 5.073 4.640 0.003 0.000 0.236 742 D C -0.384 175.847 176.300 -0.115 0.000 1.154 742 D CA 0.024 53.942 54.000 -0.137 0.000 0.985 742 D CB -0.440 40.314 40.800 -0.076 0.000 1.010 742 D HN 0.502 nan 8.370 nan 0.000 0.516 743 I N -1.411 119.074 120.570 -0.142 0.000 2.828 743 I HA 0.769 4.941 4.170 0.003 0.000 0.302 743 I C 0.518 176.557 176.117 -0.129 0.000 1.101 743 I CA -1.413 59.797 61.300 -0.150 0.000 1.031 743 I CB 2.072 39.921 38.000 -0.251 0.000 1.231 743 I HN 0.083 nan 8.210 nan 0.000 0.427 744 G N 1.601 110.351 108.800 -0.083 0.000 2.503 744 G HA2 0.362 4.324 3.960 0.003 0.000 0.257 744 G HA3 0.362 4.324 3.960 0.003 0.000 0.257 744 G C 0.945 175.840 174.900 -0.008 0.000 1.214 744 G CA 0.172 45.246 45.100 -0.042 0.000 0.839 744 G HN 0.921 nan 8.290 nan 0.000 0.559 745 T N -1.544 113.021 114.554 0.018 0.000 2.699 745 T HA -0.011 4.340 4.350 0.003 0.000 0.268 745 T C 1.282 176.034 174.700 0.087 0.000 1.036 745 T CA 1.595 63.734 62.100 0.064 0.000 1.147 745 T CB -0.422 68.476 68.868 0.051 0.000 0.862 745 T HN 1.556 nan 8.240 nan 0.000 0.446 746 S N -0.946 114.789 115.700 0.059 0.000 2.669 746 S HA 0.413 4.885 4.470 0.003 0.000 0.266 746 S C -0.031 174.543 174.600 -0.043 0.000 1.149 746 S CA -0.982 57.239 58.200 0.035 0.000 0.842 746 S CB 1.243 64.481 63.200 0.064 0.000 1.160 746 S HN 0.090 nan 8.310 nan 0.000 0.487 747 K N -0.272 120.000 120.400 -0.214 0.000 2.365 747 K HA 0.118 4.440 4.320 0.003 0.000 0.199 747 K C 1.684 178.054 176.600 -0.384 0.000 1.045 747 K CA 0.864 56.862 56.287 -0.482 0.000 0.962 747 K CB -0.436 31.300 32.500 -1.274 0.000 0.759 747 K HN 0.444 nan 8.250 nan 0.000 0.469 748 L N 0.556 121.695 121.223 -0.141 0.000 1.973 748 L HA -0.156 4.185 4.340 0.003 0.000 0.208 748 L C 2.071 178.895 176.870 -0.077 0.000 1.073 748 L CA 2.023 56.872 54.840 0.016 0.000 0.746 748 L CB -0.318 41.778 42.059 0.061 0.000 0.891 748 L HN 0.079 nan 8.230 nan 0.000 0.433 749 A N -3.103 119.737 122.820 0.034 0.000 2.063 749 A HA 0.070 4.391 4.320 0.003 0.000 0.211 749 A C 0.842 178.631 177.584 0.342 0.000 1.177 749 A CA 0.229 52.360 52.037 0.156 0.000 0.759 749 A CB 0.120 19.172 19.000 0.087 0.000 0.857 749 A HN 0.548 nan 8.150 nan 0.000 0.468 750 Q N -0.921 119.002 119.800 0.206 0.000 2.475 750 Q HA -0.171 4.170 4.340 0.003 0.000 0.280 750 Q C 0.501 176.516 176.000 0.025 0.000 1.234 750 Q CA 0.892 56.774 55.803 0.131 0.000 0.873 750 Q CB -2.423 26.425 28.738 0.183 0.000 1.256 750 Q HN 0.773 nan 8.270 nan 0.000 0.475 751 G N 0.875 109.681 108.800 0.009 0.000 2.547 751 G HA2 0.389 4.351 3.960 0.003 0.000 0.291 751 G HA3 0.389 4.351 3.960 0.003 0.000 0.291 751 G C 0.244 175.059 174.900 -0.143 0.000 1.211 751 G CA -0.068 44.981 45.100 -0.085 0.000 0.950 751 G HN 0.444 nan 8.290 nan 0.000 0.504 752 N N -2.515 116.037 118.700 -0.246 0.000 2.530 752 N HA 0.266 5.008 4.740 0.003 0.000 0.277 752 N C -0.312 175.155 175.510 -0.072 0.000 1.168 752 N CA -0.506 52.413 53.050 -0.219 0.000 0.979 752 N CB 1.383 39.658 38.487 -0.352 0.000 1.141 752 N HN 0.218 nan 8.380 nan 0.000 0.459 753 C N 2.278 121.542 119.300 -0.060 0.000 2.534 753 C HA 0.457 4.919 4.460 0.003 0.000 0.285 753 C C 1.775 176.771 174.990 0.010 0.000 1.505 753 C CA -0.743 58.270 59.018 -0.008 0.000 1.715 753 C CB -0.903 26.811 27.740 -0.045 0.000 2.935 753 C HN 1.004 nan 8.230 nan 0.000 0.540 754 G N 0.399 109.227 108.800 0.046 0.000 2.535 754 G HA2 -0.164 3.797 3.960 0.003 0.000 0.218 754 G HA3 -0.164 3.797 3.960 0.003 0.000 0.218 754 G C 1.341 176.294 174.900 0.089 0.000 1.122 754 G CA 0.687 45.826 45.100 0.065 0.000 0.769 754 G HN 0.712 nan 8.290 nan 0.000 0.549 755 Q N -0.414 119.460 119.800 0.123 0.000 2.194 755 Q HA 0.079 4.421 4.340 0.003 0.000 0.214 755 Q C 0.057 176.161 176.000 0.173 0.000 0.838 755 Q CA -0.036 55.863 55.803 0.159 0.000 0.972 755 Q CB 0.827 29.707 28.738 0.237 0.000 1.131 755 Q HN 0.179 nan 8.270 nan 0.000 0.498 756 T N 1.670 116.293 114.554 0.114 0.000 3.364 756 T HA 0.300 4.651 4.350 0.003 0.000 0.323 756 T C -0.618 174.097 174.700 0.025 0.000 1.323 756 T CA 0.063 62.236 62.100 0.123 0.000 1.073 756 T CB 0.077 68.995 68.868 0.083 0.000 1.150 756 T HN -0.133 nan 8.240 nan 0.000 0.727 757 V N 4.606 124.477 119.914 -0.072 0.000 2.668 757 V HA 0.514 4.636 4.120 0.003 0.000 0.304 757 V C -0.464 175.509 176.094 -0.200 0.000 1.071 757 V CA -0.957 61.255 62.300 -0.146 0.000 0.894 757 V CB 2.003 33.717 31.823 -0.181 0.000 1.008 757 V HN 0.594 nan 8.190 nan 0.000 0.425 758 L N 3.595 124.763 121.223 -0.091 0.000 2.354 758 L HA 1.045 5.387 4.340 0.003 0.000 0.269 758 L C 0.097 176.894 176.870 -0.122 0.000 1.005 758 L CA -0.565 54.250 54.840 -0.042 0.000 0.819 758 L CB 2.107 44.225 42.059 0.097 0.000 1.311 758 L HN 0.835 nan 8.230 nan 0.000 0.423 759 A N 1.400 124.154 122.820 -0.109 0.000 2.581 759 A HA 0.736 5.057 4.320 0.003 0.000 0.290 759 A C -1.706 175.799 177.584 -0.130 0.000 1.119 759 A CA -0.435 51.427 52.037 -0.291 0.000 0.670 759 A CB 2.060 20.894 19.000 -0.276 0.000 1.280 759 A HN 0.583 nan 8.150 nan 0.000 0.425 760 E N -0.561 119.469 120.200 -0.283 0.000 2.235 760 E HA 0.705 5.057 4.350 0.003 0.000 0.265 760 E C -1.476 175.005 176.600 -0.199 0.000 0.940 760 E CA -0.433 55.869 56.400 -0.164 0.000 0.819 760 E CB 1.860 31.460 29.700 -0.167 0.000 1.206 760 E HN 0.653 nan 8.360 nan 0.000 0.409 761 V N 3.042 122.941 119.914 -0.026 0.000 2.735 761 V HA 0.523 4.645 4.120 0.003 0.000 0.310 761 V C -0.692 175.473 176.094 0.120 0.000 1.061 761 V CA -0.746 61.586 62.300 0.052 0.000 0.913 761 V CB 1.669 33.513 31.823 0.035 0.000 1.005 761 V HN 0.805 nan 8.190 nan 0.000 0.428 762 E N 2.382 122.679 120.200 0.163 0.000 2.367 762 E HA 0.508 4.859 4.350 0.003 0.000 0.273 762 E C -1.004 175.662 176.600 0.111 0.000 0.903 762 E CA -1.158 55.322 56.400 0.134 0.000 0.764 762 E CB 2.484 32.277 29.700 0.156 0.000 1.252 762 E HN 0.491 nan 8.360 nan 0.000 0.446 763 K N 1.897 122.346 120.400 0.082 0.000 2.472 763 K HA -0.053 4.269 4.320 0.003 0.000 0.280 763 K C -1.173 175.485 176.600 0.096 0.000 1.028 763 K CA -0.147 56.186 56.287 0.077 0.000 1.045 763 K CB 0.227 32.755 32.500 0.046 0.000 0.902 763 K HN 0.519 nan 8.250 nan 0.000 0.478 764 Y N 4.130 124.424 120.300 -0.011 0.000 2.393 764 Y HA 0.077 4.629 4.550 0.003 0.000 0.338 764 Y C 0.528 176.422 175.900 -0.011 0.000 1.029 764 Y CA 0.235 58.323 58.100 -0.020 0.000 1.239 764 Y CB 0.917 39.349 38.460 -0.047 0.000 1.170 764 Y HN 0.743 nan 8.280 nan 0.000 0.515 765 T N 1.483 115.735 114.554 -0.504 0.000 3.091 765 T HA 0.342 4.693 4.350 0.003 0.000 0.277 765 T C 0.956 175.315 174.700 -0.569 0.000 0.996 765 T CA 0.067 61.934 62.100 -0.387 0.000 0.897 765 T CB -0.181 68.574 68.868 -0.188 0.000 1.109 765 T HN 0.751 nan 8.240 nan 0.000 0.534 766 G N 3.067 111.154 108.800 -1.190 0.000 2.590 766 G HA2 0.455 4.416 3.960 0.003 0.000 0.276 766 G HA3 0.455 4.416 3.960 0.003 0.000 0.276 766 G C -2.167 172.549 174.900 -0.307 0.000 1.337 766 G CA -0.990 43.658 45.100 -0.754 0.000 1.030 766 G HN 0.274 nan 8.290 nan 0.000 0.534 767 P HA 0.342 nan 4.420 nan 0.000 0.271 767 P C 0.041 177.467 177.300 0.209 0.000 1.218 767 P CA -0.129 63.016 63.100 0.075 0.000 0.780 767 P CB 0.572 32.313 31.700 0.069 0.000 0.901 768 A N 2.315 125.226 122.820 0.151 0.000 2.520 768 A HA 0.252 4.574 4.320 0.003 0.000 0.235 768 A C 0.087 177.758 177.584 0.144 0.000 1.065 768 A CA 0.093 52.228 52.037 0.164 0.000 0.764 768 A CB -0.123 18.939 19.000 0.103 0.000 1.002 768 A HN 0.434 nan 8.150 nan 0.000 0.502 769 V N 1.481 121.478 119.914 0.138 0.000 2.864 769 V HA 0.609 4.730 4.120 0.003 0.000 0.314 769 V C 0.057 176.198 176.094 0.077 0.000 1.073 769 V CA -0.341 62.019 62.300 0.098 0.000 0.956 769 V CB 2.617 34.494 31.823 0.090 0.000 1.023 769 V HN 1.005 nan 8.190 nan 0.000 0.435 770 T N 5.896 120.480 114.554 0.049 0.000 2.779 770 T HA 0.536 4.888 4.350 0.003 0.000 0.280 770 T C -0.348 174.369 174.700 0.028 0.000 0.987 770 T CA -0.282 61.838 62.100 0.033 0.000 0.966 770 T CB 0.907 69.785 68.868 0.018 0.000 0.933 770 T HN 0.416 nan 8.240 nan 0.000 0.442 771 L N 3.514 124.758 121.223 0.035 0.000 2.410 771 L HA 0.251 4.593 4.340 0.003 0.000 0.273 771 L C 1.559 178.434 176.870 0.007 0.000 1.152 771 L CA -0.149 54.718 54.840 0.046 0.000 0.855 771 L CB 0.470 42.598 42.059 0.115 0.000 1.129 771 L HN 0.857 nan 8.230 nan 0.000 0.463 772 T N -2.779 111.744 114.554 -0.052 0.000 3.040 772 T HA 0.090 4.442 4.350 0.003 0.000 0.266 772 T C 1.400 176.008 174.700 -0.153 0.000 1.005 772 T CA 0.287 62.335 62.100 -0.085 0.000 0.906 772 T CB 0.571 69.382 68.868 -0.094 0.000 1.082 772 T HN 0.674 nan 8.240 nan 0.000 0.531 773 G N 0.593 109.218 108.800 -0.293 0.000 2.813 773 G HA2 0.204 4.166 3.960 0.003 0.000 0.209 773 G HA3 0.204 4.166 3.960 0.003 0.000 0.209 773 G C 0.463 175.097 174.900 -0.443 0.000 1.150 773 G CA -0.177 44.658 45.100 -0.441 0.000 0.785 773 G HN 0.572 nan 8.290 nan 0.000 0.535 774 F N 0.681 120.666 119.950 0.058 0.000 2.684 774 F HA 0.369 4.897 4.527 0.003 0.000 0.298 774 F C 0.341 176.166 175.800 0.041 0.000 1.120 774 F CA -0.730 57.298 58.000 0.046 0.000 1.332 774 F CB 0.786 39.732 39.000 -0.090 0.000 0.986 774 F HN -0.011 nan 8.300 nan 0.000 0.524 775 V N -2.132 117.850 119.914 0.113 0.000 2.962 775 V HA 0.913 5.035 4.120 0.003 0.000 0.313 775 V C -0.003 176.055 176.094 -0.059 0.000 1.099 775 V CA -1.659 60.667 62.300 0.045 0.000 0.971 775 V CB 1.069 32.894 31.823 0.004 0.000 1.028 775 V HN 0.008 nan 8.190 nan 0.000 0.430 776 A N 3.037 125.790 122.820 -0.112 0.000 2.386 776 A HA 0.729 5.051 4.320 0.003 0.000 0.248 776 A C -2.202 175.097 177.584 -0.475 0.000 1.082 776 A CA -1.192 50.594 52.037 -0.419 0.000 0.789 776 A CB -0.753 18.070 19.000 -0.296 0.000 1.025 776 A HN 0.867 nan 8.150 nan 0.000 0.490 777 P HA 0.036 nan 4.420 nan 0.000 0.264 777 P C 0.405 177.531 177.300 -0.290 0.000 1.179 777 P CA 0.067 62.886 63.100 -0.468 0.000 0.763 777 P CB 0.463 31.832 31.700 -0.551 0.000 0.806 778 K N 3.473 123.774 120.400 -0.164 0.000 2.103 778 K HA -0.168 4.154 4.320 0.003 0.000 0.207 778 K C 1.916 178.479 176.600 -0.060 0.000 1.048 778 K CA 2.026 58.255 56.287 -0.097 0.000 0.930 778 K CB -0.971 31.488 32.500 -0.068 0.000 0.716 778 K HN 0.505 nan 8.250 nan 0.000 0.444 779 A N -0.332 122.461 122.820 -0.045 0.000 2.121 779 A HA 0.030 4.351 4.320 0.003 0.000 0.218 779 A C 1.984 179.588 177.584 0.034 0.000 1.154 779 A CA 1.640 53.676 52.037 -0.001 0.000 0.679 779 A CB -0.458 18.561 19.000 0.031 0.000 0.795 779 A HN 0.319 nan 8.150 nan 0.000 0.458 780 A N -1.293 121.529 122.820 0.003 0.000 2.308 780 A HA 0.510 4.832 4.320 0.003 0.000 0.217 780 A C 1.088 178.756 177.584 0.141 0.000 1.216 780 A CA 0.991 53.111 52.037 0.137 0.000 0.864 780 A CB -0.520 18.535 19.000 0.092 0.000 0.902 780 A HN 0.648 nan 8.150 nan 0.000 0.499 781 E N 0.000 120.230 120.200 0.050 0.000 2.725 781 E HA 0.000 4.352 4.350 0.003 0.000 0.291 781 E CA 0.000 56.410 56.400 0.016 0.000 0.976 781 E CB 0.000 29.684 29.700 -0.026 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440