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 3kfe_1_F DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.482 175.510 -0.046 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 11 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 12 M N 0.257 119.820 119.600 -0.063 0.000 1.778 12 M HA 0.237 4.717 4.480 0.000 0.000 0.200 12 M C -0.556 175.697 176.300 -0.079 0.000 1.294 12 M CA 0.346 55.611 55.300 -0.058 0.000 0.913 12 M CB 0.924 33.493 32.600 -0.052 0.000 1.645 12 M HN 0.043 nan 8.290 nan 0.000 0.598 13 K N 1.324 121.643 120.400 -0.135 0.000 2.471 13 K HA 0.595 4.915 4.320 0.000 0.000 0.252 13 K C -1.082 175.295 176.600 -0.372 0.000 0.938 13 K CA -0.451 55.698 56.287 -0.229 0.000 0.796 13 K CB 3.196 35.542 32.500 -0.256 0.000 1.161 13 K HN 0.028 nan 8.250 nan 0.000 0.425 14 R N 2.641 122.912 120.500 -0.382 0.000 2.604 14 R HA 0.377 4.717 4.340 0.000 0.000 0.281 14 R C -1.670 174.471 176.300 -0.264 0.000 1.020 14 R CA -0.599 55.282 56.100 -0.365 0.000 0.899 14 R CB 0.988 31.200 30.300 -0.147 0.000 1.205 14 R HN 0.417 nan 8.270 nan 0.000 0.450 15 Y N 3.537 123.832 120.300 -0.009 0.000 2.352 15 Y HA 0.464 5.015 4.550 0.000 0.000 0.339 15 Y C 0.083 175.982 175.900 -0.002 0.000 0.992 15 Y CA -1.232 56.866 58.100 -0.004 0.000 1.100 15 Y CB 1.884 40.345 38.460 0.001 0.000 1.192 15 Y HN 0.309 nan 8.280 nan 0.000 0.458 16 M N 2.201 121.899 119.600 0.163 0.000 2.238 16 M HA 0.388 4.868 4.480 0.000 0.000 0.350 16 M C 1.096 177.430 176.300 0.056 0.000 1.138 16 M CA -0.119 55.230 55.300 0.081 0.000 1.040 16 M CB 1.002 33.635 32.600 0.055 0.000 1.639 16 M HN 0.924 nan 8.290 nan 0.000 0.451 17 G N 4.176 112.998 108.800 0.035 0.000 2.690 17 G HA2 -0.396 3.564 3.960 0.000 0.000 0.334 17 G HA3 -0.396 3.564 3.960 0.000 0.000 0.334 17 G C 0.992 175.895 174.900 0.006 0.000 1.250 17 G CA 1.045 46.151 45.100 0.010 0.000 0.994 17 G HN 0.728 nan 8.290 nan 0.000 0.549 18 R N 0.672 121.168 120.500 -0.006 0.000 2.193 18 R HA 0.063 4.403 4.340 0.000 0.000 0.229 18 R C 2.120 178.414 176.300 -0.011 0.000 1.110 18 R CA 1.458 57.550 56.100 -0.014 0.000 0.988 18 R CB -0.260 30.029 30.300 -0.019 0.000 0.871 18 R HN 0.497 nan 8.270 nan 0.000 0.458 19 D N 0.050 120.449 120.400 -0.001 0.000 2.137 19 D HA 0.008 4.648 4.640 0.000 0.000 0.202 19 D C 1.780 178.079 176.300 -0.001 0.000 0.970 19 D CA 1.363 55.350 54.000 -0.021 0.000 0.837 19 D CB -0.097 40.693 40.800 -0.017 0.000 0.981 19 D HN 0.214 nan 8.370 nan 0.000 0.475 20 A N 0.403 123.263 122.820 0.066 0.000 1.929 20 A HA -0.166 4.154 4.320 0.000 0.000 0.216 20 A C 2.103 179.731 177.584 0.075 0.000 1.176 20 A CA 1.228 53.336 52.037 0.118 0.000 0.628 20 A CB -0.453 18.624 19.000 0.128 0.000 0.816 20 A HN 0.172 nan 8.150 nan 0.000 0.444 21 Q N -1.048 118.773 119.800 0.036 0.000 2.046 21 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 21 Q C 2.346 178.352 176.000 0.010 0.000 0.975 21 Q CA 1.610 57.425 55.803 0.019 0.000 0.836 21 Q CB -0.141 28.596 28.738 -0.002 0.000 0.896 21 Q HN 0.668 nan 8.270 nan 0.000 0.428 22 R N -0.048 120.449 120.500 -0.005 0.000 2.120 22 R HA -0.167 4.173 4.340 0.000 0.000 0.234 22 R C 2.057 178.348 176.300 -0.015 0.000 1.123 22 R CA 1.299 57.388 56.100 -0.018 0.000 0.975 22 R CB -0.072 30.209 30.300 -0.032 0.000 0.866 22 R HN 0.169 nan 8.270 nan 0.000 0.446 23 M N 0.924 120.523 119.600 -0.002 0.000 2.067 23 M HA -0.138 4.342 4.480 0.000 0.000 0.260 23 M C 1.421 177.758 176.300 0.063 0.000 1.069 23 M CA 1.807 57.131 55.300 0.040 0.000 1.117 23 M CB -0.287 32.357 32.600 0.074 0.000 1.334 23 M HN 0.174 nan 8.290 nan 0.000 0.407 24 N N -0.060 118.679 118.700 0.064 0.000 2.135 24 N HA -0.031 4.709 4.740 0.000 0.000 0.186 24 N C 1.860 177.343 175.510 -0.045 0.000 1.027 24 N CA 1.596 54.654 53.050 0.014 0.000 0.849 24 N CB -0.455 38.067 38.487 0.057 0.000 1.002 24 N HN 0.417 nan 8.380 nan 0.000 0.425 25 I N 0.868 121.427 120.570 -0.019 0.000 2.361 25 I HA -0.218 3.952 4.170 0.000 0.000 0.251 25 I C 2.240 178.332 176.117 -0.043 0.000 1.133 25 I CA 0.762 62.049 61.300 -0.023 0.000 1.413 25 I CB -0.128 37.866 38.000 -0.010 0.000 1.073 25 I HN 0.080 nan 8.210 nan 0.000 0.424 26 L N 0.707 121.900 121.223 -0.050 0.000 2.102 26 L HA -0.027 4.313 4.340 0.000 0.000 0.202 26 L C 2.698 179.509 176.870 -0.098 0.000 1.076 26 L CA 1.384 56.190 54.840 -0.058 0.000 0.761 26 L CB -0.307 41.727 42.059 -0.042 0.000 0.921 26 L HN 0.128 nan 8.230 nan 0.000 0.444 27 A N -0.283 122.432 122.820 -0.175 0.000 1.978 27 A HA -0.128 4.192 4.320 0.000 0.000 0.220 27 A C 2.229 179.681 177.584 -0.219 0.000 1.170 27 A CA 1.629 53.474 52.037 -0.319 0.000 0.636 27 A CB -1.431 17.045 19.000 -0.874 0.000 0.810 27 A HN 0.549 nan 8.150 nan 0.000 0.448 28 G N -0.393 108.313 108.800 -0.157 0.000 2.434 28 G HA2 -0.203 3.757 3.960 0.000 0.000 0.214 28 G HA3 -0.203 3.757 3.960 0.000 0.000 0.214 28 G C 1.663 176.520 174.900 -0.073 0.000 1.202 28 G CA 0.718 45.759 45.100 -0.098 0.000 0.788 28 G HN 0.566 nan 8.290 nan 0.000 0.539 29 R N -0.200 120.263 120.500 -0.062 0.000 2.200 29 R HA 0.024 4.364 4.340 0.000 0.000 0.234 29 R C 2.374 178.646 176.300 -0.048 0.000 1.127 29 R CA 0.768 56.839 56.100 -0.049 0.000 0.989 29 R CB -0.310 29.966 30.300 -0.040 0.000 0.869 29 R HN 0.400 nan 8.270 nan 0.000 0.459 30 I N 0.755 121.291 120.570 -0.056 0.000 2.400 30 I HA -0.173 3.997 4.170 0.000 0.000 0.248 30 I C 2.261 178.354 176.117 -0.040 0.000 1.109 30 I CA 0.875 62.148 61.300 -0.046 0.000 1.425 30 I CB -0.021 37.950 38.000 -0.047 0.000 1.094 30 I HN 0.131 nan 8.210 nan 0.000 0.425 31 I N -1.306 119.236 120.570 -0.046 0.000 2.928 31 I HA -0.009 4.161 4.170 0.000 0.000 0.266 31 I C 2.448 178.544 176.117 -0.033 0.000 1.234 31 I CA 0.990 62.269 61.300 -0.035 0.000 1.483 31 I CB -0.656 37.324 38.000 -0.034 0.000 1.097 31 I HN 0.018 nan 8.210 nan 0.000 0.455 32 A N 1.956 124.753 122.820 -0.039 0.000 1.854 32 A HA -0.142 4.178 4.320 0.000 0.000 0.214 32 A C 2.167 179.731 177.584 -0.034 0.000 1.192 32 A CA 1.460 53.474 52.037 -0.038 0.000 0.611 32 A CB -0.670 18.304 19.000 -0.044 0.000 0.832 32 A HN 0.499 nan 8.150 nan 0.000 0.442 33 E N -0.846 119.335 120.200 -0.033 0.000 2.472 33 E HA -0.074 4.276 4.350 0.000 0.000 0.200 33 E C 1.411 177.997 176.600 -0.024 0.000 1.046 33 E CA 0.959 57.342 56.400 -0.028 0.000 0.871 33 E CB -0.140 29.544 29.700 -0.027 0.000 0.806 33 E HN 0.516 nan 8.360 nan 0.000 0.533 34 T N -0.569 113.971 114.554 -0.023 0.000 3.067 34 T HA -0.043 4.307 4.350 0.000 0.000 0.261 34 T C 1.537 176.226 174.700 -0.018 0.000 1.110 34 T CA 0.994 63.083 62.100 -0.019 0.000 1.113 34 T CB 0.363 69.220 68.868 -0.018 0.000 0.917 34 T HN 0.177 nan 8.240 nan 0.000 0.499 35 V N -2.378 117.524 119.914 -0.021 0.000 3.502 35 V HA 0.408 4.528 4.120 0.000 0.000 0.288 35 V C 1.883 177.964 176.094 -0.021 0.000 1.461 35 V CA -0.268 62.021 62.300 -0.019 0.000 1.029 35 V CB -0.320 31.491 31.823 -0.019 0.000 0.843 35 V HN 0.092 nan 8.190 nan 0.000 0.438 36 R N 2.331 122.816 120.500 -0.024 0.000 2.174 36 R HA -0.188 4.152 4.340 0.000 0.000 0.253 36 R C 2.397 178.684 176.300 -0.022 0.000 1.165 36 R CA 2.104 58.188 56.100 -0.026 0.000 0.984 36 R CB -0.340 29.944 30.300 -0.027 0.000 0.873 36 R HN 0.808 nan 8.270 nan 0.000 0.456 37 S N -0.975 114.714 115.700 -0.018 0.000 2.562 37 S HA -0.058 4.412 4.470 0.000 0.000 0.221 37 S C 1.688 176.280 174.600 -0.012 0.000 0.975 37 S CA 1.008 59.199 58.200 -0.015 0.000 0.918 37 S CB 0.205 63.398 63.200 -0.012 0.000 0.772 37 S HN 0.412 nan 8.310 nan 0.000 0.531 38 T N -0.698 113.848 114.554 -0.013 0.000 3.086 38 T HA 0.345 4.695 4.350 0.000 0.000 0.250 38 T C 0.343 175.036 174.700 -0.011 0.000 1.074 38 T CA -0.465 61.630 62.100 -0.009 0.000 0.988 38 T CB -0.491 68.372 68.868 -0.008 0.000 0.988 38 T HN 0.345 nan 8.240 nan 0.000 0.530 39 L N 2.373 123.585 121.223 -0.018 0.000 2.361 39 L HA 0.553 4.893 4.340 0.000 0.000 0.278 39 L C 0.772 177.626 176.870 -0.026 0.000 1.113 39 L CA 1.256 56.082 54.840 -0.023 0.000 0.849 39 L CB -0.263 41.778 42.059 -0.030 0.000 1.155 39 L HN 0.667 nan 8.230 nan 0.000 0.452 40 G N 4.085 112.869 108.800 -0.026 0.000 2.661 40 G HA2 -0.169 3.791 3.960 0.000 0.000 0.685 40 G HA3 -0.169 3.791 3.960 0.000 0.000 0.685 40 G C -2.553 172.339 174.900 -0.013 0.000 1.298 40 G CA -0.461 44.617 45.100 -0.036 0.000 0.855 40 G HN 0.458 nan 8.290 nan 0.000 0.560 41 P HA 0.053 nan 4.420 nan 0.000 0.217 41 P C 1.286 178.632 177.300 0.077 0.000 1.151 41 P CA 1.216 64.355 63.100 0.065 0.000 0.828 41 P CB 0.139 31.917 31.700 0.130 0.000 0.788 42 K N 0.270 120.690 120.400 0.033 0.000 2.627 42 K HA 0.259 4.579 4.320 0.000 0.000 0.212 42 K C 0.956 177.567 176.600 0.018 0.000 1.041 42 K CA 0.046 56.359 56.287 0.044 0.000 1.205 42 K CB -0.357 32.158 32.500 0.025 0.000 0.936 42 K HN 0.108 nan 8.250 nan 0.000 0.489 43 G N 0.455 109.264 108.800 0.014 0.000 2.437 43 G HA2 0.475 4.435 3.960 0.000 0.000 0.319 43 G HA3 0.475 4.435 3.960 0.000 0.000 0.319 43 G C -0.067 174.839 174.900 0.010 0.000 1.158 43 G CA -0.554 44.549 45.100 0.005 0.000 0.899 43 G HN -0.051 nan 8.290 nan 0.000 0.502 44 M N 0.399 120.001 119.600 0.004 0.000 2.573 44 M HA 0.370 4.850 4.480 0.000 0.000 0.309 44 M C -0.901 175.399 176.300 0.001 0.000 1.202 44 M CA -0.663 54.639 55.300 0.004 0.000 0.975 44 M CB 1.756 34.357 32.600 0.001 0.000 1.600 44 M HN 0.341 nan 8.290 nan 0.000 0.479 45 D N 1.348 121.748 120.400 -0.000 0.000 2.193 45 D HA 0.344 4.984 4.640 0.000 0.000 0.249 45 D C -0.369 175.925 176.300 -0.010 0.000 1.034 45 D CA -0.198 53.800 54.000 -0.004 0.000 0.902 45 D CB 1.167 41.965 40.800 -0.003 0.000 1.182 45 D HN 0.121 nan 8.370 nan 0.000 0.436 46 K N 1.610 122.003 120.400 -0.013 0.000 2.213 46 K HA 0.315 4.635 4.320 0.000 0.000 0.270 46 K C -0.144 176.441 176.600 -0.025 0.000 1.002 46 K CA -0.504 55.773 56.287 -0.017 0.000 0.868 46 K CB 1.923 34.414 32.500 -0.014 0.000 1.093 46 K HN 0.477 nan 8.250 nan 0.000 0.454 47 M N 4.321 123.902 119.600 -0.032 0.000 2.188 47 M HA 0.281 4.761 4.480 0.000 0.000 0.357 47 M C -1.203 175.071 176.300 -0.043 0.000 1.204 47 M CA -0.444 54.827 55.300 -0.049 0.000 1.095 47 M CB 0.520 33.085 32.600 -0.058 0.000 1.604 47 M HN 0.578 nan 8.290 nan 0.000 0.464 48 L N 6.448 127.641 121.223 -0.051 0.000 2.490 48 L HA 0.422 4.762 4.340 0.000 0.000 0.256 48 L C -1.100 175.749 176.870 -0.034 0.000 1.089 48 L CA -0.626 54.193 54.840 -0.034 0.000 0.916 48 L CB 1.403 43.448 42.059 -0.024 0.000 1.188 48 L HN 0.592 nan 8.230 nan 0.000 0.476 49 V N 1.736 121.632 119.914 -0.031 0.000 3.185 49 V HA 0.196 4.316 4.120 0.000 0.000 0.305 49 V C 0.294 176.381 176.094 -0.011 0.000 1.090 49 V CA -0.172 62.114 62.300 -0.023 0.000 1.107 49 V CB 1.142 32.954 31.823 -0.019 0.000 1.061 49 V HN 0.805 nan 8.190 nan 0.000 0.480 50 D N 0.999 121.396 120.400 -0.004 0.000 2.574 50 D HA 0.182 4.822 4.640 0.000 0.000 0.210 50 D C 0.442 176.743 176.300 0.002 0.000 1.277 50 D CA 0.236 54.236 54.000 0.000 0.000 1.121 50 D CB -0.178 40.624 40.800 0.004 0.000 1.192 50 D HN 0.516 nan 8.370 nan 0.000 0.602 51 D N -1.398 119.005 120.400 0.004 0.000 2.369 51 D HA 0.093 4.733 4.640 0.000 0.000 0.211 51 D C 0.913 177.216 176.300 0.005 0.000 1.077 51 D CA -0.009 53.993 54.000 0.004 0.000 0.842 51 D CB -0.182 40.621 40.800 0.005 0.000 0.947 51 D HN 0.263 nan 8.370 nan 0.000 0.509 52 L N -0.097 121.130 121.223 0.007 0.000 3.110 52 L HA 0.414 4.754 4.340 0.000 0.000 0.266 52 L C 1.417 178.294 176.870 0.011 0.000 1.257 52 L CA 0.003 54.849 54.840 0.009 0.000 1.038 52 L CB 0.482 42.547 42.059 0.012 0.000 1.395 52 L HN 0.234 nan 8.230 nan 0.000 0.566 53 G N -0.380 108.425 108.800 0.008 0.000 2.216 53 G HA2 -0.328 3.633 3.960 0.000 0.000 0.269 53 G HA3 -0.328 3.633 3.960 0.000 0.000 0.269 53 G C 0.106 175.014 174.900 0.012 0.000 0.981 53 G CA 0.452 45.557 45.100 0.008 0.000 0.658 53 G HN 0.402 nan 8.290 nan 0.000 0.539 54 D N 0.124 120.533 120.400 0.016 0.000 2.346 54 D HA 0.411 5.051 4.640 0.000 0.000 0.260 54 D C 0.543 176.848 176.300 0.009 0.000 1.252 54 D CA 0.161 54.178 54.000 0.028 0.000 0.895 54 D CB 1.512 42.330 40.800 0.031 0.000 1.097 54 D HN 0.319 nan 8.370 nan 0.000 0.489 55 V N 3.534 123.445 119.914 -0.006 0.000 2.716 55 V HA 0.659 4.779 4.120 0.000 0.000 0.304 55 V C -0.733 175.278 176.094 -0.139 0.000 1.053 55 V CA -0.433 61.808 62.300 -0.099 0.000 0.984 55 V CB 1.982 33.700 31.823 -0.175 0.000 1.021 55 V HN 0.233 nan 8.190 nan 0.000 0.467 56 V N 5.807 125.633 119.914 -0.147 0.000 2.737 56 V HA 0.482 4.602 4.120 0.000 0.000 0.298 56 V C -0.987 175.046 176.094 -0.101 0.000 1.163 56 V CA -0.286 61.946 62.300 -0.112 0.000 0.925 56 V CB 2.262 34.087 31.823 0.003 0.000 1.037 56 V HN 0.816 nan 8.190 nan 0.000 0.433 57 V N 5.535 125.383 119.914 -0.110 0.000 2.435 57 V HA 0.871 4.991 4.120 0.000 0.000 0.290 57 V C 0.129 176.214 176.094 -0.016 0.000 1.030 57 V CA -0.025 62.234 62.300 -0.067 0.000 0.881 57 V CB 1.672 33.449 31.823 -0.076 0.000 0.983 57 V HN 0.992 nan 8.190 nan 0.000 0.445 58 T N 2.509 117.057 114.554 -0.011 0.000 2.830 58 T HA 0.265 4.615 4.350 0.000 0.000 0.322 58 T C 0.022 174.722 174.700 -0.001 0.000 1.501 58 T CA -0.460 61.641 62.100 0.001 0.000 1.036 58 T CB 1.830 70.701 68.868 0.005 0.000 1.379 58 T HN 0.672 nan 8.240 nan 0.000 0.493 59 N N 1.600 120.303 118.700 0.004 0.000 2.184 59 N HA 0.041 4.781 4.740 0.000 0.000 0.206 59 N C -0.231 175.280 175.510 0.001 0.000 1.151 59 N CA -0.110 52.941 53.050 0.002 0.000 0.878 59 N CB 0.456 38.947 38.487 0.007 0.000 1.014 59 N HN 0.733 nan 8.380 nan 0.000 0.512 60 D N 0.446 120.847 120.400 0.002 0.000 2.346 60 D HA 0.050 4.690 4.640 0.000 0.000 0.260 60 D C 1.231 177.529 176.300 -0.002 0.000 1.252 60 D CA 0.015 54.016 54.000 0.001 0.000 0.895 60 D CB 1.107 41.910 40.800 0.004 0.000 1.097 60 D HN 0.323 nan 8.370 nan 0.000 0.489 61 G N 3.540 112.337 108.800 -0.005 0.000 2.631 61 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 61 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 61 G C 1.495 176.391 174.900 -0.007 0.000 1.214 61 G CA 0.997 46.092 45.100 -0.008 0.000 0.785 61 G HN 0.505 nan 8.290 nan 0.000 0.596 62 V N 1.483 121.394 119.914 -0.005 0.000 2.295 62 V HA -0.192 3.928 4.120 0.000 0.000 0.246 62 V C 3.360 179.453 176.094 -0.002 0.000 1.049 62 V CA 3.590 65.887 62.300 -0.004 0.000 1.024 62 V CB -0.966 30.855 31.823 -0.003 0.000 0.648 62 V HN 0.712 nan 8.190 nan 0.000 0.447 63 T N -1.233 113.321 114.554 0.000 0.000 2.684 63 T HA -0.262 4.088 4.350 0.000 0.000 0.267 63 T C 1.865 176.566 174.700 0.000 0.000 1.036 63 T CA 2.188 64.289 62.100 0.002 0.000 1.148 63 T CB -0.815 68.056 68.868 0.005 0.000 0.863 63 T HN 0.482 nan 8.240 nan 0.000 0.436 64 I N 1.201 121.770 120.570 -0.002 0.000 2.091 64 I HA -0.230 3.940 4.170 0.000 0.000 0.240 64 I C 2.748 178.863 176.117 -0.004 0.000 1.046 64 I CA 1.844 63.142 61.300 -0.004 0.000 1.306 64 I CB -0.506 37.490 38.000 -0.007 0.000 1.018 64 I HN 0.258 nan 8.210 nan 0.000 0.404 65 L N -0.202 121.018 121.223 -0.004 0.000 1.976 65 L HA -0.227 4.113 4.340 0.000 0.000 0.209 65 L C 2.818 179.688 176.870 0.000 0.000 1.071 65 L CA 1.426 56.264 54.840 -0.003 0.000 0.746 65 L CB -0.649 41.407 42.059 -0.006 0.000 0.890 65 L HN 0.160 nan 8.230 nan 0.000 0.432 66 R N 0.384 120.884 120.500 0.001 0.000 2.122 66 R HA -0.197 4.143 4.340 0.000 0.000 0.236 66 R C 1.214 177.517 176.300 0.005 0.000 1.129 66 R CA 1.761 57.863 56.100 0.004 0.000 0.925 66 R CB -0.421 29.881 30.300 0.004 0.000 0.850 66 R HN 0.437 nan 8.270 nan 0.000 0.431 67 E N 1.189 121.391 120.200 0.004 0.000 2.424 67 E HA 0.042 4.392 4.350 0.000 0.000 0.237 67 E C 0.003 176.605 176.600 0.003 0.000 1.381 67 E CA -0.069 56.334 56.400 0.005 0.000 1.587 67 E CB -0.109 29.594 29.700 0.006 0.000 1.398 67 E HN 0.318 nan 8.360 nan 0.000 0.439 68 M N -2.299 117.303 119.600 0.004 0.000 2.501 68 M HA 0.428 4.908 4.480 0.000 0.000 0.293 68 M C -0.782 175.523 176.300 0.008 0.000 1.192 68 M CA -0.769 54.533 55.300 0.004 0.000 0.886 68 M CB 2.160 34.761 32.600 0.001 0.000 1.710 68 M HN -0.330 nan 8.290 nan 0.000 0.457 69 S N 2.498 118.203 115.700 0.009 0.000 3.024 69 S HA 0.295 4.765 4.470 0.000 0.000 0.316 69 S C -0.209 174.402 174.600 0.019 0.000 1.197 69 S CA -0.512 57.696 58.200 0.013 0.000 1.097 69 S CB -0.752 62.455 63.200 0.012 0.000 1.471 69 S HN 0.459 nan 8.310 nan 0.000 0.543 70 V N 3.881 123.809 119.914 0.022 0.000 2.432 70 V HA 0.255 4.375 4.120 0.000 0.000 0.275 70 V C 0.862 176.983 176.094 0.046 0.000 1.043 70 V CA -0.206 62.114 62.300 0.033 0.000 0.925 70 V CB 1.478 33.317 31.823 0.026 0.000 0.985 70 V HN 0.619 nan 8.190 nan 0.000 0.466 71 E N 1.416 121.656 120.200 0.066 0.000 2.256 71 E HA 0.079 4.429 4.350 0.000 0.000 0.198 71 E C 0.812 177.473 176.600 0.102 0.000 0.908 71 E CA 0.089 56.528 56.400 0.065 0.000 0.915 71 E CB -0.098 29.629 29.700 0.046 0.000 0.890 71 E HN 0.716 nan 8.360 nan 0.000 0.484 72 H N 3.716 122.798 119.070 0.021 0.000 3.094 72 H HA -0.035 4.522 4.556 0.000 0.000 0.320 72 H C -1.547 173.797 175.328 0.026 0.000 1.000 72 H CA -0.881 55.184 56.048 0.030 0.000 1.413 72 H CB 1.046 30.826 29.762 0.030 0.000 1.405 72 H HN -0.066 nan 8.280 nan 0.000 0.586 73 P HA -0.164 nan 4.420 nan 0.000 0.215 73 P C 1.213 178.657 177.300 0.240 0.000 1.157 73 P CA 1.857 65.088 63.100 0.219 0.000 0.863 73 P CB 0.006 31.775 31.700 0.114 0.000 0.787 74 A N 1.276 124.305 122.820 0.348 0.000 1.859 74 A HA -0.209 4.111 4.320 0.000 0.000 0.218 74 A C 2.616 180.193 177.584 -0.012 0.000 1.209 74 A CA 3.060 55.142 52.037 0.076 0.000 0.639 74 A CB -1.783 17.171 19.000 -0.076 0.000 0.835 74 A HN 0.243 nan 8.150 nan 0.000 0.450 75 A N -0.671 122.089 122.820 -0.101 0.000 1.948 75 A HA -0.227 4.093 4.320 0.000 0.000 0.220 75 A C 2.050 179.635 177.584 0.001 0.000 1.177 75 A CA 2.075 54.072 52.037 -0.066 0.000 0.636 75 A CB -0.562 18.389 19.000 -0.082 0.000 0.815 75 A HN 0.587 nan 8.150 nan 0.000 0.449 76 K N -1.204 119.222 120.400 0.043 0.000 2.293 76 K HA -0.125 4.195 4.320 0.000 0.000 0.204 76 K C 1.670 178.285 176.600 0.025 0.000 1.045 76 K CA 1.702 58.013 56.287 0.040 0.000 0.933 76 K CB -0.234 32.299 32.500 0.055 0.000 0.736 76 K HN 0.596 nan 8.250 nan 0.000 0.463 77 M N -0.746 118.868 119.600 0.023 0.000 2.492 77 M HA 0.004 4.484 4.480 0.000 0.000 0.255 77 M C 1.178 177.482 176.300 0.006 0.000 1.139 77 M CA 0.270 55.580 55.300 0.017 0.000 1.096 77 M CB 0.306 32.921 32.600 0.025 0.000 1.360 77 M HN 0.013 nan 8.290 nan 0.000 0.480 78 L N 0.537 121.757 121.223 -0.005 0.000 2.313 78 L HA 0.022 4.362 4.340 0.000 0.000 0.214 78 L C 2.009 178.874 176.870 -0.009 0.000 1.119 78 L CA 1.375 56.208 54.840 -0.012 0.000 0.809 78 L CB -0.428 41.616 42.059 -0.025 0.000 0.933 78 L HN 0.255 nan 8.230 nan 0.000 0.449 79 I N -1.036 119.532 120.570 -0.004 0.000 2.830 79 I HA -0.165 4.005 4.170 0.000 0.000 0.263 79 I C 2.067 178.184 176.117 0.001 0.000 1.230 79 I CA 0.393 61.691 61.300 -0.002 0.000 1.480 79 I CB -0.198 37.803 38.000 0.002 0.000 1.095 79 I HN 0.279 nan 8.210 nan 0.000 0.455 80 E N 0.791 120.993 120.200 0.003 0.000 2.051 80 E HA -0.162 4.189 4.350 0.000 0.000 0.192 80 E C 2.450 179.051 176.600 0.002 0.000 0.991 80 E CA 1.171 57.574 56.400 0.005 0.000 0.799 80 E CB -0.349 29.356 29.700 0.009 0.000 0.748 80 E HN 0.315 nan 8.360 nan 0.000 0.449 81 V N 1.761 121.675 119.914 -0.001 0.000 2.287 81 V HA -0.263 3.858 4.120 0.000 0.000 0.248 81 V C 2.486 178.576 176.094 -0.007 0.000 1.053 81 V CA 1.942 64.239 62.300 -0.004 0.000 1.027 81 V CB -0.894 30.923 31.823 -0.010 0.000 0.646 81 V HN 0.263 nan 8.190 nan 0.000 0.447 82 A N -0.782 122.033 122.820 -0.008 0.000 1.969 82 A HA -0.231 4.090 4.320 0.000 0.000 0.218 82 A C 2.326 179.907 177.584 -0.005 0.000 1.169 82 A CA 1.958 53.990 52.037 -0.009 0.000 0.635 82 A CB -0.437 18.557 19.000 -0.010 0.000 0.810 82 A HN 0.504 nan 8.150 nan 0.000 0.445 83 K N -0.732 119.666 120.400 -0.003 0.000 2.217 83 K HA -0.094 4.226 4.320 0.000 0.000 0.202 83 K C 1.963 178.562 176.600 -0.001 0.000 1.051 83 K CA 1.586 57.872 56.287 -0.001 0.000 0.952 83 K CB -0.058 32.443 32.500 0.001 0.000 0.736 83 K HN 0.674 nan 8.250 nan 0.000 0.453 84 T N -2.545 112.008 114.554 -0.001 0.000 3.037 84 T HA -0.032 4.318 4.350 0.000 0.000 0.251 84 T C 1.710 176.409 174.700 -0.002 0.000 1.079 84 T CA 0.156 62.255 62.100 -0.000 0.000 1.067 84 T CB 0.263 69.131 68.868 0.001 0.000 0.948 84 T HN 0.048 nan 8.240 nan 0.000 0.496 85 Q N 2.528 122.326 119.800 -0.004 0.000 2.020 85 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 85 Q C 2.208 178.206 176.000 -0.004 0.000 0.982 85 Q CA 2.493 58.293 55.803 -0.005 0.000 0.838 85 Q CB -0.496 28.237 28.738 -0.008 0.000 0.899 85 Q HN 0.844 nan 8.270 nan 0.000 0.423 86 E N -0.477 119.721 120.200 -0.004 0.000 2.160 86 E HA -0.284 4.066 4.350 0.000 0.000 0.195 86 E C 1.792 178.391 176.600 -0.003 0.000 0.991 86 E CA 1.535 57.933 56.400 -0.003 0.000 0.810 86 E CB -0.202 29.497 29.700 -0.003 0.000 0.742 86 E HN 0.163 nan 8.360 nan 0.000 0.466 87 K N 0.466 120.865 120.400 -0.002 0.000 2.103 87 K HA -0.058 4.263 4.320 0.000 0.000 0.204 87 K C 1.539 178.138 176.600 -0.002 0.000 1.052 87 K CA 1.319 57.604 56.287 -0.002 0.000 0.945 87 K CB 0.338 32.837 32.500 -0.001 0.000 0.722 87 K HN 0.105 nan 8.250 nan 0.000 0.443 88 E N -0.757 119.442 120.200 -0.002 0.000 2.498 88 E HA 0.105 4.455 4.350 0.000 0.000 0.203 88 E C 0.538 177.137 176.600 -0.003 0.000 1.013 88 E CA 0.148 56.547 56.400 -0.002 0.000 0.927 88 E CB 1.059 30.758 29.700 -0.002 0.000 1.012 88 E HN 0.082 nan 8.360 nan 0.000 0.482 89 V N -1.930 117.982 119.914 -0.003 0.000 5.317 89 V HA 0.415 4.535 4.120 0.000 0.000 0.120 89 V C 1.266 177.358 176.094 -0.003 0.000 1.105 89 V CA 0.357 62.655 62.300 -0.004 0.000 1.161 89 V CB 0.728 32.548 31.823 -0.004 0.000 1.653 89 V HN 0.203 nan 8.190 nan 0.000 0.610 90 G N 0.014 108.812 108.800 -0.004 0.000 3.345 90 G HA2 -0.073 3.887 3.960 0.000 0.000 0.199 90 G HA3 -0.073 3.887 3.960 0.000 0.000 0.199 90 G C -0.374 174.525 174.900 -0.003 0.000 1.057 90 G CA 0.366 45.464 45.100 -0.003 0.000 0.865 90 G HN 0.542 nan 8.290 nan 0.000 0.449 91 D N -0.375 120.023 120.400 -0.003 0.000 2.449 91 D HA 0.548 5.188 4.640 0.000 0.000 0.250 91 D C 1.134 177.430 176.300 -0.007 0.000 1.050 91 D CA 0.867 54.865 54.000 -0.004 0.000 1.024 91 D CB 1.133 41.932 40.800 -0.002 0.000 1.218 91 D HN 1.337 nan 8.370 nan 0.000 0.566 92 G N 0.214 109.009 108.800 -0.009 0.000 2.246 92 G HA2 -0.278 3.682 3.960 0.000 0.000 0.273 92 G HA3 -0.278 3.682 3.960 0.000 0.000 0.273 92 G C 0.892 175.783 174.900 -0.015 0.000 1.055 92 G CA 1.229 46.321 45.100 -0.013 0.000 0.851 92 G HN 0.633 nan 8.290 nan 0.000 0.500 93 T N -3.810 110.737 114.554 -0.013 0.000 2.809 93 T HA -0.044 4.306 4.350 0.000 0.000 0.260 93 T C 2.251 176.940 174.700 -0.018 0.000 1.039 93 T CA 2.153 64.245 62.100 -0.013 0.000 1.141 93 T CB -0.415 68.447 68.868 -0.009 0.000 0.869 93 T HN 0.256 nan 8.240 nan 0.000 0.437 94 T N 2.920 117.464 114.554 -0.018 0.000 2.684 94 T HA -0.145 4.205 4.350 0.000 0.000 0.267 94 T C 2.410 177.093 174.700 -0.029 0.000 1.036 94 T CA 2.270 64.356 62.100 -0.022 0.000 1.148 94 T CB -1.053 67.803 68.868 -0.020 0.000 0.863 94 T HN 0.814 nan 8.240 nan 0.000 0.436 95 T N 0.716 115.252 114.554 -0.030 0.000 2.915 95 T HA 0.103 4.453 4.350 0.000 0.000 0.269 95 T C 2.201 176.874 174.700 -0.046 0.000 1.071 95 T CA 0.999 63.075 62.100 -0.039 0.000 1.132 95 T CB -0.455 68.391 68.868 -0.037 0.000 0.878 95 T HN 0.354 nan 8.240 nan 0.000 0.479 96 A N 1.037 123.834 122.820 -0.038 0.000 1.897 96 A HA 0.157 4.477 4.320 0.000 0.000 0.215 96 A C 2.601 180.158 177.584 -0.046 0.000 1.181 96 A CA 1.227 53.240 52.037 -0.040 0.000 0.620 96 A CB -0.973 18.011 19.000 -0.027 0.000 0.821 96 A HN 0.385 nan 8.150 nan 0.000 0.443 97 V N -0.355 119.536 119.914 -0.038 0.000 2.358 97 V HA -0.207 3.913 4.120 0.000 0.000 0.246 97 V C 2.605 178.669 176.094 -0.050 0.000 1.047 97 V CA 1.911 64.187 62.300 -0.039 0.000 1.035 97 V CB -0.573 31.231 31.823 -0.031 0.000 0.658 97 V HN 0.364 nan 8.190 nan 0.000 0.452 98 V N -0.329 119.555 119.914 -0.052 0.000 2.255 98 V HA -0.249 3.871 4.120 0.000 0.000 0.247 98 V C 2.431 178.478 176.094 -0.078 0.000 1.051 98 V CA 2.102 64.367 62.300 -0.058 0.000 1.018 98 V CB -0.509 31.282 31.823 -0.053 0.000 0.641 98 V HN 0.399 nan 8.190 nan 0.000 0.445 99 V N 0.280 120.137 119.914 -0.095 0.000 2.332 99 V HA -0.292 3.828 4.120 0.000 0.000 0.248 99 V C 2.706 178.706 176.094 -0.156 0.000 1.055 99 V CA 2.055 64.271 62.300 -0.141 0.000 1.038 99 V CB -1.157 30.571 31.823 -0.158 0.000 0.651 99 V HN 0.582 nan 8.190 nan 0.000 0.450 100 A N 0.283 123.033 122.820 -0.115 0.000 1.978 100 A HA -0.117 4.203 4.320 0.000 0.000 0.220 100 A C 2.373 179.910 177.584 -0.078 0.000 1.170 100 A CA 2.003 53.983 52.037 -0.095 0.000 0.636 100 A CB -1.047 17.917 19.000 -0.060 0.000 0.810 100 A HN 0.546 nan 8.150 nan 0.000 0.448 101 G N -0.675 108.082 108.800 -0.073 0.000 2.394 101 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 101 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 101 G C 1.422 176.285 174.900 -0.063 0.000 1.176 101 G CA 1.081 46.146 45.100 -0.059 0.000 0.786 101 G HN 0.542 nan 8.290 nan 0.000 0.533 102 E N 0.079 120.227 120.200 -0.086 0.000 2.338 102 E HA 0.057 4.407 4.350 0.000 0.000 0.197 102 E C 2.377 178.914 176.600 -0.104 0.000 1.007 102 E CA 0.351 56.697 56.400 -0.089 0.000 0.849 102 E CB -0.247 29.389 29.700 -0.106 0.000 0.774 102 E HN 0.472 nan 8.360 nan 0.000 0.506 103 L N -0.488 120.649 121.223 -0.144 0.000 2.131 103 L HA -0.058 4.282 4.340 0.000 0.000 0.206 103 L C 2.217 179.126 176.870 0.066 0.000 1.087 103 L CA 0.588 55.343 54.840 -0.142 0.000 0.767 103 L CB -0.269 41.598 42.059 -0.321 0.000 0.917 103 L HN 0.194 nan 8.230 nan 0.000 0.441 104 L N -0.455 120.787 121.223 0.033 0.000 2.083 104 L HA -0.220 4.120 4.340 0.000 0.000 0.209 104 L C 2.823 179.712 176.870 0.033 0.000 1.083 104 L CA 1.197 56.066 54.840 0.049 0.000 0.752 104 L CB -0.516 41.550 42.059 0.012 0.000 0.899 104 L HN 0.269 nan 8.230 nan 0.000 0.433 105 R N 0.473 120.978 120.500 0.007 0.000 2.070 105 R HA -0.166 4.175 4.340 0.000 0.000 0.233 105 R C 2.297 178.610 176.300 0.022 0.000 1.137 105 R CA 1.365 57.466 56.100 0.003 0.000 0.945 105 R CB 0.006 30.297 30.300 -0.014 0.000 0.845 105 R HN 0.138 nan 8.270 nan 0.000 0.430 106 K N 0.187 120.610 120.400 0.039 0.000 2.211 106 K HA -0.058 4.262 4.320 0.000 0.000 0.203 106 K C 1.904 178.562 176.600 0.096 0.000 1.050 106 K CA 1.102 57.430 56.287 0.068 0.000 0.945 106 K CB -0.153 32.396 32.500 0.082 0.000 0.732 106 K HN 0.308 nan 8.250 nan 0.000 0.451 107 A N 2.061 124.953 122.820 0.121 0.000 1.969 107 A HA -0.194 4.126 4.320 0.000 0.000 0.218 107 A C 1.998 179.584 177.584 0.004 0.000 1.169 107 A CA 1.681 53.752 52.037 0.058 0.000 0.635 107 A CB -0.335 18.708 19.000 0.072 0.000 0.810 107 A HN 0.550 nan 8.150 nan 0.000 0.445 108 E N -0.044 120.163 120.200 0.012 0.000 2.435 108 E HA -0.094 4.256 4.350 0.000 0.000 0.195 108 E C 1.294 177.892 176.600 -0.004 0.000 1.029 108 E CA 0.783 57.180 56.400 -0.004 0.000 0.865 108 E CB -0.281 29.416 29.700 -0.006 0.000 0.833 108 E HN 0.707 nan 8.360 nan 0.000 0.510 109 E N 0.905 121.109 120.200 0.006 0.000 2.268 109 E HA -0.085 4.265 4.350 0.000 0.000 0.195 109 E C 1.923 178.524 176.600 0.002 0.000 0.995 109 E CA 0.854 57.258 56.400 0.006 0.000 0.836 109 E CB 0.027 29.736 29.700 0.015 0.000 0.763 109 E HN 0.413 nan 8.360 nan 0.000 0.491 110 L N -0.025 121.196 121.223 -0.003 0.000 2.298 110 L HA 0.018 4.358 4.340 0.000 0.000 0.209 110 L C 2.173 179.031 176.870 -0.021 0.000 1.084 110 L CA 0.283 55.116 54.840 -0.011 0.000 0.816 110 L CB -0.134 41.910 42.059 -0.025 0.000 0.967 110 L HN 0.115 nan 8.230 nan 0.000 0.460 111 L N -0.351 120.855 121.223 -0.028 0.000 2.156 111 L HA -0.115 4.225 4.340 0.000 0.000 0.208 111 L C 1.577 178.431 176.870 -0.028 0.000 1.095 111 L CA 0.917 55.736 54.840 -0.035 0.000 0.770 111 L CB -0.317 41.717 42.059 -0.040 0.000 0.914 111 L HN 0.228 nan 8.230 nan 0.000 0.439 112 D N -0.205 120.183 120.400 -0.019 0.000 2.336 112 D HA -0.058 4.582 4.640 0.000 0.000 0.229 112 D C 1.310 177.603 176.300 -0.011 0.000 1.061 112 D CA 0.583 54.574 54.000 -0.015 0.000 0.875 112 D CB 0.348 41.141 40.800 -0.012 0.000 0.904 112 D HN 0.472 nan 8.370 nan 0.000 0.525 113 Q N 0.021 119.815 119.800 -0.010 0.000 2.179 113 Q HA 0.108 4.448 4.340 0.000 0.000 0.213 113 Q C -0.214 175.782 176.000 -0.005 0.000 0.833 113 Q CA -0.195 55.605 55.803 -0.005 0.000 0.990 113 Q CB 0.766 29.503 28.738 -0.001 0.000 1.132 113 Q HN 0.124 nan 8.270 nan 0.000 0.493 114 N N -0.174 118.519 118.700 -0.012 0.000 2.776 114 N HA -0.134 4.606 4.740 0.000 0.000 0.250 114 N C -0.565 174.945 175.510 0.001 0.000 1.112 114 N CA 0.420 53.463 53.050 -0.012 0.000 0.733 114 N CB -1.632 36.853 38.487 -0.005 0.000 1.097 114 N HN 0.034 nan 8.380 nan 0.000 0.558 115 V N 1.716 121.630 119.914 -0.001 0.000 2.555 115 V HA 0.023 4.143 4.120 0.000 0.000 0.286 115 V C 1.226 177.336 176.094 0.027 0.000 1.044 115 V CA -0.248 62.062 62.300 0.017 0.000 1.026 115 V CB 1.118 32.941 31.823 -0.001 0.000 0.981 115 V HN 0.258 nan 8.190 nan 0.000 0.480 116 H N 7.663 126.717 119.070 -0.026 0.000 2.897 116 H HA 0.074 4.630 4.556 0.000 0.000 0.347 116 H C -1.680 173.626 175.328 -0.037 0.000 1.068 116 H CA -1.337 54.696 56.048 -0.025 0.000 1.426 116 H CB 1.764 31.515 29.762 -0.018 0.000 1.410 116 H HN 0.381 nan 8.280 nan 0.000 0.597 117 P HA -0.156 nan 4.420 nan 0.000 0.216 117 P C 1.379 178.762 177.300 0.139 0.000 1.153 117 P CA 2.497 65.615 63.100 0.031 0.000 0.858 117 P CB 0.004 31.685 31.700 -0.032 0.000 0.789 118 T N -3.503 111.270 114.554 0.365 0.000 2.962 118 T HA -0.072 4.278 4.350 0.000 0.000 0.270 118 T C 1.682 176.408 174.700 0.044 0.000 1.088 118 T CA 0.759 62.942 62.100 0.138 0.000 1.127 118 T CB -0.762 68.126 68.868 0.032 0.000 0.883 118 T HN -0.081 nan 8.240 nan 0.000 0.493 119 I N 1.018 121.622 120.570 0.056 0.000 2.400 119 I HA 0.023 4.193 4.170 0.000 0.000 0.248 119 I C 2.637 178.739 176.117 -0.025 0.000 1.109 119 I CA 0.316 61.621 61.300 0.007 0.000 1.425 119 I CB -1.070 36.941 38.000 0.019 0.000 1.094 119 I HN 0.164 nan 8.210 nan 0.000 0.425 120 V N 0.565 120.441 119.914 -0.063 0.000 2.255 120 V HA -0.227 3.893 4.120 0.000 0.000 0.247 120 V C 2.602 178.550 176.094 -0.243 0.000 1.051 120 V CA 1.742 63.913 62.300 -0.215 0.000 1.018 120 V CB -0.693 30.959 31.823 -0.284 0.000 0.641 120 V HN 0.309 nan 8.190 nan 0.000 0.445 121 V N -0.107 119.740 119.914 -0.111 0.000 2.759 121 V HA -0.207 3.913 4.120 0.000 0.000 0.256 121 V C 2.403 178.529 176.094 0.053 0.000 1.080 121 V CA 2.354 64.651 62.300 -0.005 0.000 1.101 121 V CB -0.441 31.403 31.823 0.035 0.000 0.698 121 V HN 0.612 nan 8.190 nan 0.000 0.477 122 K N -0.001 120.414 120.400 0.025 0.000 2.001 122 K HA -0.065 4.255 4.320 0.000 0.000 0.208 122 K C 2.042 178.679 176.600 0.062 0.000 1.048 122 K CA 1.670 57.979 56.287 0.036 0.000 0.932 122 K CB -0.685 31.824 32.500 0.015 0.000 0.715 122 K HN 0.533 nan 8.250 nan 0.000 0.437 123 G N -0.525 108.312 108.800 0.063 0.000 2.448 123 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 123 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 123 G C 1.320 176.355 174.900 0.224 0.000 1.135 123 G CA 0.316 45.483 45.100 0.110 0.000 0.784 123 G HN 0.359 nan 8.290 nan 0.000 0.543 124 Y N 0.036 120.387 120.300 0.085 0.000 2.200 124 Y HA -0.153 4.397 4.550 0.000 0.000 0.290 124 Y C 3.155 179.052 175.900 -0.005 0.000 1.137 124 Y CA 1.127 59.319 58.100 0.153 0.000 1.163 124 Y CB 0.075 38.677 38.460 0.237 0.000 0.988 124 Y HN 0.237 nan 8.280 nan 0.000 0.518 125 Q N 0.443 120.353 119.800 0.182 0.000 2.030 125 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 125 Q C 2.446 178.418 176.000 -0.046 0.000 0.986 125 Q CA 1.528 57.365 55.803 0.056 0.000 0.843 125 Q CB -0.253 28.521 28.738 0.060 0.000 0.904 125 Q HN 0.475 nan 8.270 nan 0.000 0.420 126 A N 0.619 123.431 122.820 -0.013 0.000 1.917 126 A HA -0.224 4.097 4.320 0.000 0.000 0.219 126 A C 2.181 179.655 177.584 -0.183 0.000 1.182 126 A CA 2.094 54.115 52.037 -0.027 0.000 0.633 126 A CB -0.881 18.168 19.000 0.080 0.000 0.819 126 A HN 0.569 nan 8.150 nan 0.000 0.448 127 A N -0.883 121.743 122.820 -0.323 0.000 1.975 127 A HA 0.400 4.720 4.320 0.000 0.000 0.215 127 A C 2.424 179.468 177.584 -0.899 0.000 1.170 127 A CA 1.430 53.075 52.037 -0.653 0.000 0.656 127 A CB -0.787 17.740 19.000 -0.789 0.000 0.821 127 A HN 1.011 nan 8.150 nan 0.000 0.449 128 A N -0.524 121.796 122.820 -0.833 0.000 1.933 128 A HA -0.182 4.138 4.320 0.000 0.000 0.218 128 A C 2.133 179.556 177.584 -0.269 0.000 1.175 128 A CA 2.096 53.856 52.037 -0.462 0.000 0.628 128 A CB -0.460 18.458 19.000 -0.137 0.000 0.814 128 A HN 0.509 nan 8.150 nan 0.000 0.444 129 Q N 0.210 119.864 119.800 -0.243 0.000 2.020 129 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 129 Q C 2.049 177.914 176.000 -0.225 0.000 0.982 129 Q CA 2.473 58.171 55.803 -0.176 0.000 0.838 129 Q CB -0.329 28.329 28.738 -0.134 0.000 0.899 129 Q HN 0.463 nan 8.270 nan 0.000 0.423 130 K N 0.020 120.204 120.400 -0.360 0.000 2.032 130 K HA -0.023 4.297 4.320 0.000 0.000 0.209 130 K C 1.809 178.231 176.600 -0.297 0.000 1.048 130 K CA 1.756 57.781 56.287 -0.437 0.000 0.927 130 K CB -0.932 31.044 32.500 -0.873 0.000 0.712 130 K HN 0.269 nan 8.250 nan 0.000 0.441 131 A N 0.404 123.052 122.820 -0.286 0.000 2.125 131 A HA -0.144 4.176 4.320 0.000 0.000 0.219 131 A C 1.909 179.433 177.584 -0.100 0.000 1.156 131 A CA 1.261 53.202 52.037 -0.160 0.000 0.671 131 A CB -0.404 18.534 19.000 -0.104 0.000 0.794 131 A HN 0.359 nan 8.150 nan 0.000 0.459 132 Q N 0.006 119.740 119.800 -0.110 0.000 2.137 132 Q HA -0.136 4.204 4.340 0.000 0.000 0.198 132 Q C 1.934 177.898 176.000 -0.060 0.000 0.960 132 Q CA 1.662 57.425 55.803 -0.068 0.000 0.847 132 Q CB -0.268 28.433 28.738 -0.062 0.000 0.915 132 Q HN 1.002 nan 8.270 nan 0.000 0.448 133 E N -0.284 119.870 120.200 -0.077 0.000 2.385 133 E HA -0.014 4.336 4.350 0.000 0.000 0.194 133 E C 1.923 178.492 176.600 -0.052 0.000 1.013 133 E CA 0.050 56.416 56.400 -0.057 0.000 0.866 133 E CB -0.211 29.454 29.700 -0.058 0.000 0.832 133 E HN 0.204 nan 8.360 nan 0.000 0.500 134 L N 0.648 121.829 121.223 -0.069 0.000 2.291 134 L HA -0.039 4.301 4.340 0.000 0.000 0.214 134 L C 2.276 179.128 176.870 -0.031 0.000 1.120 134 L CA 0.593 55.402 54.840 -0.052 0.000 0.799 134 L CB -0.000 42.014 42.059 -0.074 0.000 0.925 134 L HN 0.189 nan 8.230 nan 0.000 0.446 135 L N -1.197 120.008 121.223 -0.031 0.000 2.145 135 L HA -0.121 4.219 4.340 0.000 0.000 0.201 135 L C 2.446 179.308 176.870 -0.013 0.000 1.075 135 L CA 0.737 55.567 54.840 -0.017 0.000 0.773 135 L CB -0.260 41.789 42.059 -0.017 0.000 0.936 135 L HN 0.066 nan 8.230 nan 0.000 0.451 136 K N -0.231 120.159 120.400 -0.017 0.000 2.107 136 K HA -0.276 4.044 4.320 0.000 0.000 0.211 136 K C 2.015 178.611 176.600 -0.008 0.000 1.049 136 K CA 2.339 58.618 56.287 -0.013 0.000 0.927 136 K CB -0.363 32.128 32.500 -0.016 0.000 0.714 136 K HN 0.474 nan 8.250 nan 0.000 0.452 137 T N -0.881 113.669 114.554 -0.008 0.000 3.043 137 T HA -0.012 4.338 4.350 0.000 0.000 0.263 137 T C 1.527 176.229 174.700 0.003 0.000 1.094 137 T CA 0.643 62.742 62.100 -0.002 0.000 1.127 137 T CB -0.274 68.593 68.868 -0.002 0.000 0.905 137 T HN 0.399 nan 8.240 nan 0.000 0.490 138 I N -0.741 119.831 120.570 0.004 0.000 3.889 138 I HA 0.682 4.852 4.170 0.000 0.000 0.332 138 I C 0.300 176.424 176.117 0.011 0.000 1.493 138 I CA -1.088 60.218 61.300 0.011 0.000 1.158 138 I CB -0.261 37.750 38.000 0.019 0.000 1.117 138 I HN 0.151 nan 8.210 nan 0.000 0.411 139 A N 1.551 124.374 122.820 0.006 0.000 2.258 139 A HA 0.545 4.865 4.320 0.000 0.000 0.316 139 A C 0.306 177.893 177.584 0.005 0.000 1.279 139 A CA -0.448 51.592 52.037 0.005 0.000 0.876 139 A CB 0.041 19.042 19.000 0.002 0.000 1.170 139 A HN 0.561 nan 8.150 nan 0.000 0.520 140 C N 2.315 121.619 119.300 0.007 0.000 2.679 140 C HA 0.234 4.694 4.460 0.000 0.000 0.417 140 C C 0.894 175.887 174.990 0.004 0.000 1.302 140 C CA -0.667 58.354 59.018 0.006 0.000 1.973 140 C CB -0.614 27.130 27.740 0.007 0.000 2.715 140 C HN 0.769 nan 8.230 nan 0.000 0.628 141 E N 0.569 120.772 120.200 0.004 0.000 2.349 141 E HA 0.640 4.990 4.350 0.000 0.000 0.262 141 E C -0.486 176.116 176.600 0.003 0.000 1.088 141 E CA -0.052 56.350 56.400 0.003 0.000 0.899 141 E CB 1.416 31.118 29.700 0.003 0.000 1.044 141 E HN 0.516 nan 8.360 nan 0.000 0.420 142 V N -0.194 119.722 119.914 0.003 0.000 3.120 142 V HA 0.409 4.529 4.120 0.000 0.000 0.303 142 V C 0.041 176.137 176.094 0.003 0.000 1.238 142 V CA -1.102 61.200 62.300 0.003 0.000 1.008 142 V CB 2.293 34.118 31.823 0.003 0.000 1.064 142 V HN 0.756 nan 8.190 nan 0.000 0.434 143 G N 1.018 109.820 108.800 0.003 0.000 2.355 143 G HA2 0.485 4.445 3.960 0.000 0.000 0.276 143 G HA3 0.485 4.445 3.960 0.000 0.000 0.276 143 G C 0.993 175.894 174.900 0.003 0.000 1.198 143 G CA 0.282 45.384 45.100 0.003 0.000 0.876 143 G HN 1.295 nan 8.290 nan 0.000 0.478 144 A N 1.871 124.692 122.820 0.002 0.000 2.194 144 A HA -0.118 4.202 4.320 0.000 0.000 0.220 144 A C 1.811 179.396 177.584 0.002 0.000 1.162 144 A CA 1.802 53.840 52.037 0.002 0.000 0.674 144 A CB -0.037 18.964 19.000 0.002 0.000 0.789 144 A HN 0.646 nan 8.150 nan 0.000 0.470 145 Q N -1.025 118.776 119.800 0.002 0.000 2.118 145 Q HA 0.052 4.392 4.340 0.000 0.000 0.219 145 Q C -0.535 175.466 176.000 0.003 0.000 0.794 145 Q CA -0.265 55.539 55.803 0.002 0.000 1.035 145 Q CB 0.511 29.251 28.738 0.003 0.000 1.177 145 Q HN 0.426 nan 8.270 nan 0.000 0.478 146 D N 1.602 122.003 120.400 0.003 0.000 2.619 146 D HA -0.084 4.556 4.640 0.000 0.000 0.238 146 D C 0.593 176.894 176.300 0.003 0.000 1.158 146 D CA 0.534 54.535 54.000 0.003 0.000 1.251 146 D CB 0.240 41.042 40.800 0.003 0.000 1.134 146 D HN 0.164 nan 8.370 nan 0.000 0.487 147 K N 1.238 121.639 120.400 0.003 0.000 2.585 147 K HA -0.122 4.198 4.320 0.000 0.000 0.194 147 K C 1.576 178.178 176.600 0.003 0.000 1.037 147 K CA 0.533 56.821 56.287 0.002 0.000 0.964 147 K CB 0.305 32.806 32.500 0.001 0.000 0.787 147 K HN 0.384 nan 8.250 nan 0.000 0.488 148 E N 0.373 120.576 120.200 0.004 0.000 2.099 148 E HA -0.085 4.265 4.350 0.000 0.000 0.191 148 E C 1.817 178.420 176.600 0.005 0.000 0.962 148 E CA 0.464 56.867 56.400 0.004 0.000 0.826 148 E CB 0.065 29.768 29.700 0.005 0.000 0.788 148 E HN 0.266 nan 8.360 nan 0.000 0.461 149 I N 1.486 122.059 120.570 0.005 0.000 2.252 149 I HA -0.258 3.912 4.170 0.000 0.000 0.245 149 I C 2.499 178.620 176.117 0.006 0.000 1.102 149 I CA 0.685 61.988 61.300 0.006 0.000 1.385 149 I CB -0.114 37.889 38.000 0.006 0.000 1.064 149 I HN 0.191 nan 8.210 nan 0.000 0.414 150 L N 0.032 121.257 121.223 0.004 0.000 2.137 150 L HA -0.277 4.063 4.340 0.000 0.000 0.213 150 L C 2.297 179.170 176.870 0.004 0.000 1.085 150 L CA 1.611 56.453 54.840 0.003 0.000 0.760 150 L CB -0.950 41.109 42.059 0.001 0.000 0.893 150 L HN 0.315 nan 8.230 nan 0.000 0.434 151 T N -1.441 113.116 114.554 0.005 0.000 3.054 151 T HA -0.045 4.305 4.350 0.000 0.000 0.259 151 T C 1.836 176.542 174.700 0.010 0.000 1.092 151 T CA 0.513 62.617 62.100 0.006 0.000 1.121 151 T CB 0.179 69.051 68.868 0.006 0.000 0.912 151 T HN 0.275 nan 8.240 nan 0.000 0.489 152 K N 0.738 121.144 120.400 0.011 0.000 2.155 152 K HA 0.194 4.514 4.320 0.000 0.000 0.203 152 K C 1.931 178.539 176.600 0.015 0.000 1.052 152 K CA 0.729 57.025 56.287 0.014 0.000 0.948 152 K CB -0.041 32.467 32.500 0.014 0.000 0.728 152 K HN 0.289 nan 8.250 nan 0.000 0.448 153 I N 0.703 121.280 120.570 0.011 0.000 2.286 153 I HA -0.203 3.967 4.170 0.000 0.000 0.245 153 I C 2.199 178.322 176.117 0.010 0.000 1.104 153 I CA 0.825 62.131 61.300 0.010 0.000 1.397 153 I CB -0.089 37.915 38.000 0.007 0.000 1.072 153 I HN 0.111 nan 8.210 nan 0.000 0.417 154 A N -0.356 122.470 122.820 0.009 0.000 2.168 154 A HA -0.157 4.163 4.320 0.000 0.000 0.215 154 A C 2.112 179.703 177.584 0.013 0.000 1.152 154 A CA 1.145 53.187 52.037 0.009 0.000 0.716 154 A CB -0.371 18.633 19.000 0.006 0.000 0.794 154 A HN 0.415 nan 8.150 nan 0.000 0.465 155 M N -1.589 118.021 119.600 0.016 0.000 2.486 155 M HA 0.053 4.533 4.480 0.000 0.000 0.264 155 M C 1.773 178.092 176.300 0.031 0.000 1.125 155 M CA 1.545 56.858 55.300 0.022 0.000 1.144 155 M CB 0.031 32.645 32.600 0.022 0.000 1.353 155 M HN 0.211 nan 8.290 nan 0.000 0.466 156 T N -0.839 113.732 114.554 0.028 0.000 2.951 156 T HA -0.050 4.300 4.350 0.000 0.000 0.268 156 T C 1.875 176.590 174.700 0.025 0.000 1.073 156 T CA 1.461 63.580 62.100 0.031 0.000 1.134 156 T CB -0.169 68.713 68.868 0.023 0.000 0.884 156 T HN 0.455 nan 8.240 nan 0.000 0.479 157 S N 0.722 116.434 115.700 0.019 0.000 2.357 157 S HA 0.035 4.505 4.470 0.000 0.000 0.221 157 S C 2.024 176.635 174.600 0.019 0.000 1.031 157 S CA 0.595 58.803 58.200 0.015 0.000 0.982 157 S CB -0.344 62.861 63.200 0.010 0.000 0.853 157 S HN 0.453 nan 8.310 nan 0.000 0.458 158 I N 1.379 121.962 120.570 0.021 0.000 2.179 158 I HA -0.113 4.057 4.170 0.000 0.000 0.242 158 I C 1.172 177.309 176.117 0.034 0.000 1.088 158 I CA 0.689 62.003 61.300 0.023 0.000 1.357 158 I CB -1.044 36.968 38.000 0.021 0.000 1.051 158 I HN 0.272 nan 8.210 nan 0.000 0.409 159 T N 0.435 115.018 114.554 0.048 0.000 2.791 159 T HA 0.224 4.574 4.350 0.000 0.000 0.323 159 T C 1.184 175.918 174.700 0.056 0.000 1.082 159 T CA 0.793 62.938 62.100 0.075 0.000 1.084 159 T CB 0.878 69.815 68.868 0.114 0.000 0.992 159 T HN 0.661 nan 8.240 nan 0.000 0.547 160 G N 0.974 109.812 108.800 0.062 0.000 2.320 160 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 160 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 160 G C 0.672 175.588 174.900 0.026 0.000 1.033 160 G CA 0.280 45.399 45.100 0.031 0.000 0.620 160 G HN 0.631 nan 8.290 nan 0.000 0.517 161 K N 1.468 121.886 120.400 0.030 0.000 2.577 161 K HA 0.458 4.778 4.320 0.000 0.000 0.210 161 K C 0.874 177.495 176.600 0.035 0.000 1.048 161 K CA 0.524 56.827 56.287 0.026 0.000 1.188 161 K CB 0.005 32.518 32.500 0.021 0.000 0.910 161 K HN 1.559 nan 8.250 nan 0.000 0.483 162 G N 0.316 109.147 108.800 0.051 0.000 3.055 162 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 162 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 162 G C 0.478 175.423 174.900 0.074 0.000 1.087 162 G CA -0.474 44.664 45.100 0.063 0.000 0.779 162 G HN 0.161 nan 8.290 nan 0.000 0.599 163 A N 1.289 124.174 122.820 0.107 0.000 2.125 163 A HA 0.061 4.381 4.320 0.000 0.000 0.219 163 A C 2.125 179.712 177.584 0.004 0.000 1.156 163 A CA 2.144 54.225 52.037 0.075 0.000 0.671 163 A CB -0.139 18.872 19.000 0.017 0.000 0.794 163 A HN 1.368 nan 8.150 nan 0.000 0.459 164 E N 0.426 120.630 120.200 0.006 0.000 2.481 164 E HA -0.065 4.285 4.350 0.000 0.000 0.195 164 E C 1.175 177.776 176.600 0.000 0.000 1.047 164 E CA 0.845 57.240 56.400 -0.009 0.000 0.867 164 E CB -0.219 29.476 29.700 -0.007 0.000 0.858 164 E HN 0.589 nan 8.360 nan 0.000 0.513 165 K N 0.481 120.888 120.400 0.012 0.000 2.400 165 K HA 0.230 4.550 4.320 0.000 0.000 0.194 165 K C 1.303 177.909 176.600 0.011 0.000 1.033 165 K CA 0.527 56.821 56.287 0.012 0.000 1.021 165 K CB 0.344 32.855 32.500 0.017 0.000 0.808 165 K HN 0.106 nan 8.250 nan 0.000 0.505 166 A N 2.002 124.829 122.820 0.011 0.000 2.305 166 A HA -0.023 4.297 4.320 0.000 0.000 0.236 166 A C 0.117 177.702 177.584 0.002 0.000 1.392 166 A CA 0.091 52.135 52.037 0.012 0.000 1.205 166 A CB -0.595 18.418 19.000 0.021 0.000 0.881 166 A HN -0.021 nan 8.150 nan 0.000 0.558 167 K N 0.999 121.399 120.400 0.001 0.000 2.466 167 K HA -0.024 4.296 4.320 0.000 0.000 0.278 167 K C 1.080 177.680 176.600 -0.000 0.000 1.048 167 K CA 0.302 56.588 56.287 -0.002 0.000 1.088 167 K CB 0.246 32.745 32.500 -0.001 0.000 0.884 167 K HN 0.423 nan 8.250 nan 0.000 0.478 168 E N 3.598 123.796 120.200 -0.003 0.000 2.058 168 E HA -0.190 4.160 4.350 0.000 0.000 0.194 168 E C 0.513 177.114 176.600 0.001 0.000 0.997 168 E CA 1.439 57.839 56.400 -0.000 0.000 0.801 168 E CB 0.156 29.854 29.700 -0.003 0.000 0.746 168 E HN 0.518 nan 8.360 nan 0.000 0.450 169 K N 0.460 120.861 120.400 0.000 0.000 2.551 169 K HA -0.052 4.268 4.320 0.000 0.000 0.192 169 K C 1.692 178.293 176.600 0.003 0.000 1.027 169 K CA -0.094 56.194 56.287 0.002 0.000 1.059 169 K CB 0.156 32.657 32.500 0.001 0.000 0.831 169 K HN -0.006 nan 8.250 nan 0.000 0.508 170 L N -0.276 120.949 121.223 0.003 0.000 2.286 170 L HA 0.181 4.521 4.340 0.000 0.000 0.203 170 L C 2.037 178.909 176.870 0.004 0.000 1.068 170 L CA 1.134 55.976 54.840 0.004 0.000 0.811 170 L CB -0.439 41.623 42.059 0.005 0.000 0.989 170 L HN 0.002 nan 8.230 nan 0.000 0.467 171 A N 0.008 122.831 122.820 0.005 0.000 1.873 171 A HA -0.264 4.056 4.320 0.000 0.000 0.218 171 A C 2.086 179.672 177.584 0.003 0.000 1.193 171 A CA 2.135 54.175 52.037 0.005 0.000 0.629 171 A CB -0.807 18.198 19.000 0.007 0.000 0.826 171 A HN 0.615 nan 8.150 nan 0.000 0.447 172 E N -0.295 119.907 120.200 0.003 0.000 2.070 172 E HA -0.213 4.137 4.350 0.000 0.000 0.197 172 E C 1.951 178.551 176.600 0.000 0.000 1.004 172 E CA 1.401 57.802 56.400 0.002 0.000 0.805 172 E CB -0.414 29.288 29.700 0.002 0.000 0.744 172 E HN 0.705 nan 8.360 nan 0.000 0.451 173 I N 0.982 121.553 120.570 0.001 0.000 2.163 173 I HA -0.308 3.862 4.170 0.000 0.000 0.243 173 I C 2.480 178.595 176.117 -0.003 0.000 1.085 173 I CA 1.237 62.537 61.300 -0.000 0.000 1.347 173 I CB -0.374 37.627 38.000 0.002 0.000 1.044 173 I HN 0.131 nan 8.210 nan 0.000 0.408 174 I N 0.074 120.643 120.570 -0.002 0.000 2.113 174 I HA -0.280 3.890 4.170 0.000 0.000 0.238 174 I C 2.596 178.709 176.117 -0.006 0.000 1.070 174 I CA 1.320 62.618 61.300 -0.004 0.000 1.332 174 I CB -0.489 37.510 38.000 -0.001 0.000 1.044 174 I HN 0.004 nan 8.210 nan 0.000 0.402 175 V N 1.084 120.996 119.914 -0.004 0.000 2.231 175 V HA -0.388 3.732 4.120 0.000 0.000 0.250 175 V C 2.563 178.652 176.094 -0.008 0.000 1.058 175 V CA 2.564 64.861 62.300 -0.004 0.000 1.022 175 V CB -0.816 31.006 31.823 -0.002 0.000 0.640 175 V HN 0.555 nan 8.190 nan 0.000 0.445 176 E N 0.411 120.607 120.200 -0.008 0.000 2.097 176 E HA -0.259 4.091 4.350 0.000 0.000 0.196 176 E C 2.024 178.613 176.600 -0.018 0.000 1.000 176 E CA 1.884 58.277 56.400 -0.012 0.000 0.804 176 E CB -0.380 29.315 29.700 -0.009 0.000 0.740 176 E HN 0.580 nan 8.360 nan 0.000 0.454 177 A N 0.013 122.823 122.820 -0.016 0.000 2.016 177 A HA -0.001 4.319 4.320 0.000 0.000 0.217 177 A C 2.293 179.862 177.584 -0.024 0.000 1.162 177 A CA 1.020 53.045 52.037 -0.021 0.000 0.662 177 A CB -0.071 18.919 19.000 -0.017 0.000 0.812 177 A HN 0.237 nan 8.150 nan 0.000 0.450 178 V N -0.481 119.422 119.914 -0.019 0.000 2.649 178 V HA -0.108 4.013 4.120 0.000 0.000 0.248 178 V C 2.586 178.667 176.094 -0.021 0.000 1.054 178 V CA 1.909 64.198 62.300 -0.018 0.000 1.073 178 V CB -0.232 31.584 31.823 -0.012 0.000 0.699 178 V HN 0.525 nan 8.190 nan 0.000 0.463 179 S N 0.663 116.350 115.700 -0.021 0.000 2.402 179 S HA -0.122 4.348 4.470 0.000 0.000 0.229 179 S C 2.232 176.810 174.600 -0.036 0.000 1.021 179 S CA 1.297 59.483 58.200 -0.022 0.000 0.974 179 S CB -0.340 62.849 63.200 -0.018 0.000 0.800 179 S HN 0.635 nan 8.310 nan 0.000 0.484 180 A N 1.444 124.235 122.820 -0.047 0.000 1.877 180 A HA -0.059 4.261 4.320 0.000 0.000 0.216 180 A C 2.184 179.722 177.584 -0.077 0.000 1.186 180 A CA 1.717 53.708 52.037 -0.077 0.000 0.620 180 A CB -0.869 18.084 19.000 -0.077 0.000 0.822 180 A HN 0.622 nan 8.150 nan 0.000 0.443 181 V N -1.799 118.084 119.914 -0.052 0.000 3.636 181 V HA 0.231 4.351 4.120 0.000 0.000 0.279 181 V C 0.491 176.568 176.094 -0.028 0.000 1.263 181 V CA -0.283 61.992 62.300 -0.042 0.000 1.182 181 V CB -1.146 30.658 31.823 -0.033 0.000 0.955 181 V HN 0.100 nan 8.190 nan 0.000 0.443 182 V N 4.078 123.976 119.914 -0.026 0.000 2.450 182 V HA 0.106 4.226 4.120 0.000 0.000 0.281 182 V C 0.539 176.630 176.094 -0.005 0.000 1.019 182 V CA 0.283 62.575 62.300 -0.013 0.000 1.062 182 V CB 0.461 32.278 31.823 -0.010 0.000 0.979 182 V HN 0.817 nan 8.190 nan 0.000 0.477 183 D N 4.690 125.090 120.400 -0.001 0.000 2.483 183 D HA 0.042 4.682 4.640 0.000 0.000 0.220 183 D C -0.283 176.023 176.300 0.010 0.000 1.173 183 D CA -0.626 53.377 54.000 0.006 0.000 0.964 183 D CB 0.457 41.260 40.800 0.004 0.000 1.046 183 D HN 0.425 nan 8.370 nan 0.000 0.517 184 D N 2.899 123.309 120.400 0.016 0.000 2.451 184 D HA 0.037 4.677 4.640 0.000 0.000 0.254 184 D C 0.417 176.725 176.300 0.014 0.000 1.204 184 D CA 0.547 54.557 54.000 0.016 0.000 0.896 184 D CB 0.672 41.486 40.800 0.024 0.000 1.136 184 D HN 0.540 nan 8.370 nan 0.000 0.499 185 E N 0.464 120.669 120.200 0.010 0.000 2.244 185 E HA 0.674 5.024 4.350 0.000 0.000 0.266 185 E C 0.352 176.955 176.600 0.005 0.000 0.914 185 E CA -1.335 55.069 56.400 0.008 0.000 0.794 185 E CB 2.063 31.767 29.700 0.007 0.000 1.210 185 E HN 0.413 nan 8.360 nan 0.000 0.414 186 G N 1.787 110.589 108.800 0.004 0.000 5.253 186 G HA2 0.074 4.034 3.960 0.000 0.000 0.238 186 G HA3 0.074 4.034 3.960 0.000 0.000 0.238 186 G C -0.270 174.631 174.900 0.001 0.000 0.867 186 G CA -0.416 44.686 45.100 0.003 0.000 0.717 186 G HN 0.066 nan 8.290 nan 0.000 0.405 187 K N 0.246 120.646 120.400 0.000 0.000 2.139 187 K HA 0.700 5.020 4.320 0.000 0.000 0.243 187 K C -0.502 176.096 176.600 -0.004 0.000 0.983 187 K CA -0.901 55.385 56.287 -0.002 0.000 0.890 187 K CB 2.383 34.882 32.500 -0.001 0.000 1.090 187 K HN -0.071 nan 8.250 nan 0.000 0.445 188 V N 1.382 121.292 119.914 -0.005 0.000 2.370 188 V HA 0.071 4.191 4.120 0.000 0.000 0.283 188 V C -0.346 175.743 176.094 -0.008 0.000 1.023 188 V CA -0.817 61.478 62.300 -0.008 0.000 0.857 188 V CB 1.258 33.076 31.823 -0.008 0.000 0.985 188 V HN 0.599 nan 8.190 nan 0.000 0.443 189 D N 3.816 124.210 120.400 -0.010 0.000 2.393 189 D HA 0.209 4.849 4.640 0.000 0.000 0.232 189 D C 1.028 177.321 176.300 -0.013 0.000 1.192 189 D CA -0.264 53.730 54.000 -0.010 0.000 0.882 189 D CB 1.200 41.993 40.800 -0.011 0.000 1.038 189 D HN 0.367 nan 8.370 nan 0.000 0.499 190 K N 1.435 121.828 120.400 -0.011 0.000 2.442 190 K HA -0.088 4.232 4.320 0.000 0.000 0.199 190 K C 0.580 177.171 176.600 -0.015 0.000 1.044 190 K CA 0.888 57.167 56.287 -0.012 0.000 0.941 190 K CB 0.248 32.743 32.500 -0.009 0.000 0.759 190 K HN 0.382 nan 8.250 nan 0.000 0.472 191 D N -0.581 119.809 120.400 -0.016 0.000 2.349 191 D HA 0.060 4.700 4.640 0.000 0.000 0.214 191 D C 1.092 177.379 176.300 -0.023 0.000 1.063 191 D CA 0.306 54.294 54.000 -0.019 0.000 0.847 191 D CB 0.332 41.123 40.800 -0.017 0.000 0.933 191 D HN 0.161 nan 8.370 nan 0.000 0.513 192 L N 0.222 121.432 121.223 -0.023 0.000 2.509 192 L HA 0.193 4.533 4.340 0.000 0.000 0.222 192 L C 0.698 177.549 176.870 -0.031 0.000 1.123 192 L CA 0.344 55.168 54.840 -0.027 0.000 0.856 192 L CB 0.297 42.342 42.059 -0.024 0.000 0.985 192 L HN -0.151 nan 8.230 nan 0.000 0.456 193 I N 1.016 121.569 120.570 -0.029 0.000 2.287 193 I HA 0.099 4.269 4.170 0.000 0.000 0.290 193 I C 0.369 176.466 176.117 -0.032 0.000 1.069 193 I CA -0.164 61.119 61.300 -0.030 0.000 1.237 193 I CB 0.681 38.666 38.000 -0.024 0.000 1.418 193 I HN 0.004 nan 8.210 nan 0.000 0.481 194 K N 7.261 127.637 120.400 -0.040 0.000 2.322 194 K HA 0.435 4.755 4.320 0.000 0.000 0.283 194 K C -0.704 175.870 176.600 -0.043 0.000 1.042 194 K CA -0.263 55.996 56.287 -0.046 0.000 0.958 194 K CB 0.834 33.298 32.500 -0.061 0.000 0.984 194 K HN 0.575 nan 8.250 nan 0.000 0.473 195 I N 3.919 124.466 120.570 -0.038 0.000 2.355 195 I HA 0.163 4.333 4.170 0.000 0.000 0.288 195 I C -0.515 175.579 176.117 -0.039 0.000 0.999 195 I CA -0.737 60.544 61.300 -0.033 0.000 1.163 195 I CB 1.692 39.678 38.000 -0.023 0.000 1.316 195 I HN 0.652 nan 8.210 nan 0.000 0.454 196 E N 6.760 126.934 120.200 -0.044 0.000 2.195 196 E HA 0.443 4.793 4.350 0.000 0.000 0.271 196 E C -1.259 175.321 176.600 -0.034 0.000 0.923 196 E CA -0.673 55.697 56.400 -0.050 0.000 0.790 196 E CB 1.435 31.087 29.700 -0.081 0.000 1.155 196 E HN 0.312 nan 8.360 nan 0.000 0.402 197 K N 3.934 124.316 120.400 -0.031 0.000 2.450 197 K HA 0.529 4.849 4.320 0.000 0.000 0.257 197 K C -0.792 175.798 176.600 -0.017 0.000 0.953 197 K CA -1.047 55.228 56.287 -0.020 0.000 0.844 197 K CB 1.595 34.082 32.500 -0.022 0.000 1.103 197 K HN 0.185 nan 8.250 nan 0.000 0.429 198 K N 1.572 121.969 120.400 -0.004 0.000 2.513 198 K HA 0.148 4.468 4.320 0.000 0.000 0.251 198 K C 0.757 177.364 176.600 0.011 0.000 0.939 198 K CA -0.398 55.892 56.287 0.006 0.000 0.793 198 K CB 2.069 34.584 32.500 0.026 0.000 1.241 198 K HN 0.731 nan 8.250 nan 0.000 0.431 199 S N 1.880 117.583 115.700 0.006 0.000 2.502 199 S HA -0.111 4.359 4.470 0.000 0.000 0.219 199 S C 1.026 175.633 174.600 0.010 0.000 1.064 199 S CA 1.150 59.351 58.200 0.003 0.000 1.173 199 S CB -0.968 62.230 63.200 -0.003 0.000 1.118 199 S HN 1.143 nan 8.310 nan 0.000 0.406 200 G N 0.736 109.544 108.800 0.014 0.000 2.915 200 G HA2 0.227 4.187 3.960 0.000 0.000 0.337 200 G HA3 0.227 4.187 3.960 0.000 0.000 0.337 200 G C 0.058 174.963 174.900 0.010 0.000 1.477 200 G CA -0.066 45.043 45.100 0.014 0.000 0.916 200 G HN 1.771 nan 8.290 nan 0.000 0.550 201 A N 0.266 123.091 122.820 0.009 0.000 3.215 201 A HA 0.743 5.063 4.320 0.000 0.000 0.269 201 A C 1.108 178.696 177.584 0.007 0.000 1.517 201 A CA 1.303 53.344 52.037 0.007 0.000 1.221 201 A CB -0.103 18.900 19.000 0.005 0.000 1.160 201 A HN 1.997 nan 8.150 nan 0.000 0.620 202 S N 0.275 115.980 115.700 0.008 0.000 3.152 202 S HA 0.302 4.772 4.470 0.000 0.000 0.173 202 S C 1.445 176.049 174.600 0.008 0.000 0.751 202 S CA 0.797 59.002 58.200 0.009 0.000 0.933 202 S CB -0.411 62.796 63.200 0.012 0.000 0.877 202 S HN 0.774 nan 8.310 nan 0.000 0.766 203 I N 1.266 121.841 120.570 0.009 0.000 3.986 203 I HA -0.415 3.755 4.170 0.000 0.000 0.129 203 I C 0.979 177.101 176.117 0.008 0.000 0.493 203 I CA 2.167 63.472 61.300 0.008 0.000 1.177 203 I CB -1.180 36.825 38.000 0.008 0.000 1.035 203 I HN 0.444 nan 8.210 nan 0.000 0.211 204 D N 0.646 121.050 120.400 0.006 0.000 2.277 204 D HA -0.069 4.571 4.640 0.000 0.000 0.208 204 D C 1.401 177.706 176.300 0.008 0.000 0.962 204 D CA 1.007 55.010 54.000 0.006 0.000 0.865 204 D CB -0.182 40.620 40.800 0.003 0.000 0.939 204 D HN 0.449 nan 8.370 nan 0.000 0.510 205 D N 0.030 120.436 120.400 0.010 0.000 2.363 205 D HA -0.045 4.595 4.640 0.000 0.000 0.226 205 D C 0.510 176.822 176.300 0.019 0.000 1.020 205 D CA 0.327 54.336 54.000 0.014 0.000 0.892 205 D CB -0.369 40.440 40.800 0.016 0.000 0.900 205 D HN 0.222 nan 8.370 nan 0.000 0.531 206 T N -0.016 114.548 114.554 0.016 0.000 2.928 206 T HA 0.212 4.562 4.350 0.000 0.000 0.305 206 T C 0.162 174.873 174.700 0.018 0.000 1.035 206 T CA -0.400 61.711 62.100 0.017 0.000 1.145 206 T CB 1.034 69.909 68.868 0.012 0.000 0.963 206 T HN 0.253 nan 8.240 nan 0.000 0.545 207 E N 1.983 122.197 120.200 0.023 0.000 2.429 207 E HA 0.553 4.903 4.350 0.000 0.000 0.276 207 E C -1.527 175.086 176.600 0.021 0.000 0.953 207 E CA -1.357 55.057 56.400 0.024 0.000 0.787 207 E CB 1.270 30.990 29.700 0.034 0.000 1.307 207 E HN 0.471 nan 8.360 nan 0.000 0.458 208 L N 1.917 123.150 121.223 0.017 0.000 2.290 208 L HA 0.448 4.788 4.340 0.000 0.000 0.284 208 L C -0.929 175.954 176.870 0.022 0.000 1.078 208 L CA -0.325 54.522 54.840 0.012 0.000 0.815 208 L CB 0.650 42.712 42.059 0.005 0.000 1.162 208 L HN 0.589 nan 8.230 nan 0.000 0.435 209 I N 5.560 126.142 120.570 0.019 0.000 2.354 209 I HA 0.247 4.417 4.170 0.000 0.000 0.286 209 I C 0.096 176.218 176.117 0.008 0.000 1.007 209 I CA -0.603 60.715 61.300 0.030 0.000 1.167 209 I CB 0.964 38.989 38.000 0.041 0.000 1.320 209 I HN 0.525 nan 8.210 nan 0.000 0.458 210 K N 5.808 126.215 120.400 0.011 0.000 2.155 210 K HA 0.432 4.752 4.320 0.000 0.000 0.240 210 K C 0.373 176.973 176.600 -0.000 0.000 1.193 210 K CA -0.205 56.081 56.287 -0.003 0.000 1.104 210 K CB 0.382 32.880 32.500 -0.003 0.000 1.558 210 K HN 0.902 nan 8.250 nan 0.000 0.313 211 G N -0.403 108.389 108.800 -0.013 0.000 2.498 211 G HA2 0.194 4.154 3.960 0.000 0.000 0.181 211 G HA3 0.194 4.154 3.960 0.000 0.000 0.181 211 G C -1.557 173.312 174.900 -0.052 0.000 1.169 211 G CA -0.640 44.449 45.100 -0.020 0.000 0.992 211 G HN 0.103 nan 8.290 nan 0.000 0.490 212 V N 0.290 120.159 119.914 -0.074 0.000 2.789 212 V HA 0.713 4.833 4.120 0.000 0.000 0.311 212 V C -1.010 174.982 176.094 -0.170 0.000 1.073 212 V CA -0.673 61.551 62.300 -0.126 0.000 0.921 212 V CB 1.848 33.572 31.823 -0.165 0.000 1.009 212 V HN 0.694 nan 8.190 nan 0.000 0.426 213 L N 4.056 125.150 121.223 -0.215 0.000 2.272 213 L HA 0.672 5.012 4.340 0.000 0.000 0.289 213 L C -0.445 176.281 176.870 -0.240 0.000 1.032 213 L CA 0.072 54.719 54.840 -0.323 0.000 0.810 213 L CB 1.660 43.484 42.059 -0.391 0.000 1.205 213 L HN 0.545 nan 8.230 nan 0.000 0.422 214 V N 2.959 122.748 119.914 -0.207 0.000 2.417 214 V HA 0.289 4.409 4.120 0.000 0.000 0.291 214 V C -0.176 175.878 176.094 -0.067 0.000 1.024 214 V CA -0.726 61.500 62.300 -0.123 0.000 0.861 214 V CB 1.544 33.308 31.823 -0.098 0.000 0.985 214 V HN 0.591 nan 8.190 nan 0.000 0.436 215 D N 4.106 124.475 120.400 -0.053 0.000 3.085 215 D HA 0.211 4.851 4.640 0.000 0.000 0.243 215 D C 0.300 176.609 176.300 0.014 0.000 1.232 215 D CA 0.260 54.245 54.000 -0.024 0.000 0.913 215 D CB 0.008 40.790 40.800 -0.031 0.000 1.108 215 D HN 0.384 nan 8.370 nan 0.000 0.468 216 K N 0.320 120.748 120.400 0.046 0.000 2.263 216 K HA 0.523 4.843 4.320 0.000 0.000 0.249 216 K C -0.160 176.488 176.600 0.081 0.000 1.076 216 K CA -0.751 55.578 56.287 0.069 0.000 0.884 216 K CB 1.474 34.035 32.500 0.102 0.000 1.394 216 K HN 0.238 nan 8.250 nan 0.000 0.476 217 E N -0.077 120.165 120.200 0.070 0.000 2.356 217 E HA 0.417 4.767 4.350 0.000 0.000 0.275 217 E C -1.084 175.539 176.600 0.038 0.000 0.904 217 E CA -1.236 55.201 56.400 0.062 0.000 0.757 217 E CB 1.346 31.076 29.700 0.049 0.000 1.232 217 E HN 0.381 nan 8.360 nan 0.000 0.442 218 R N 0.688 121.203 120.500 0.024 0.000 2.481 218 R HA -0.045 4.295 4.340 0.000 0.000 0.291 218 R C 0.680 176.977 176.300 -0.005 0.000 0.934 218 R CA 0.040 56.135 56.100 -0.009 0.000 1.116 218 R CB -0.054 30.238 30.300 -0.013 0.000 0.895 218 R HN 0.480 nan 8.270 nan 0.000 0.410 219 V N 1.736 121.641 119.914 -0.015 0.000 2.594 219 V HA -0.128 3.992 4.120 0.000 0.000 0.253 219 V C 0.493 176.584 176.094 -0.006 0.000 1.069 219 V CA 2.128 64.424 62.300 -0.006 0.000 1.082 219 V CB 0.176 31.994 31.823 -0.009 0.000 0.680 219 V HN 0.838 nan 8.190 nan 0.000 0.469 220 S N -1.389 114.305 115.700 -0.010 0.000 2.478 220 S HA 0.657 5.127 4.470 0.000 0.000 0.312 220 S C 0.854 175.452 174.600 -0.004 0.000 1.094 220 S CA -0.158 58.039 58.200 -0.005 0.000 1.081 220 S CB 1.667 64.864 63.200 -0.005 0.000 1.007 220 S HN 0.538 nan 8.310 nan 0.000 0.475 221 A N 3.621 126.441 122.820 0.001 0.000 2.121 221 A HA -0.055 4.265 4.320 0.000 0.000 0.218 221 A C 1.830 179.414 177.584 0.001 0.000 1.154 221 A CA 1.181 53.219 52.037 0.002 0.000 0.679 221 A CB -0.411 18.591 19.000 0.003 0.000 0.795 221 A HN 0.873 nan 8.150 nan 0.000 0.458 222 Q N -0.949 118.852 119.800 0.002 0.000 2.432 222 Q HA 0.106 4.446 4.340 0.000 0.000 0.205 222 Q C 0.462 176.458 176.000 -0.007 0.000 0.945 222 Q CA -0.080 55.725 55.803 0.003 0.000 0.924 222 Q CB -0.094 28.652 28.738 0.014 0.000 1.016 222 Q HN 0.704 nan 8.270 nan 0.000 0.503 223 M N 1.621 121.214 119.600 -0.012 0.000 2.198 223 M HA 0.173 4.653 4.480 0.000 0.000 0.315 223 M C -2.037 174.253 176.300 -0.017 0.000 1.134 223 M CA -1.736 53.551 55.300 -0.021 0.000 1.171 223 M CB 0.064 32.645 32.600 -0.031 0.000 1.413 223 M HN -0.104 nan 8.290 nan 0.000 0.467 224 P HA 0.005 nan 4.420 nan 0.000 0.267 224 P C -0.623 176.671 177.300 -0.010 0.000 1.200 224 P CA 0.317 63.409 63.100 -0.014 0.000 0.772 224 P CB 0.419 32.110 31.700 -0.016 0.000 0.855 225 K N 1.123 121.521 120.400 -0.004 0.000 2.438 225 K HA 0.179 4.499 4.320 0.000 0.000 0.205 225 K C -0.039 176.564 176.600 0.005 0.000 1.033 225 K CA -0.046 56.242 56.287 0.003 0.000 1.089 225 K CB 0.233 32.735 32.500 0.003 0.000 0.857 225 K HN 0.248 nan 8.250 nan 0.000 0.522 226 K N 0.349 120.750 120.400 0.002 0.000 2.557 226 K HA 0.296 4.616 4.320 0.000 0.000 0.257 226 K C -1.913 174.691 176.600 0.006 0.000 0.933 226 K CA -0.766 55.525 56.287 0.006 0.000 0.820 226 K CB 2.104 34.602 32.500 -0.003 0.000 1.330 226 K HN -0.139 nan 8.250 nan 0.000 0.432 227 V N 2.275 122.198 119.914 0.015 0.000 2.760 227 V HA 0.491 4.611 4.120 0.000 0.000 0.309 227 V C -0.489 175.618 176.094 0.022 0.000 1.077 227 V CA -0.764 61.544 62.300 0.014 0.000 0.910 227 V CB 1.959 33.789 31.823 0.012 0.000 1.008 227 V HN 0.968 nan 8.190 nan 0.000 0.424 228 T N -0.656 113.908 114.554 0.017 0.000 2.925 228 T HA 0.510 4.860 4.350 0.000 0.000 0.285 228 T C -0.110 174.603 174.700 0.022 0.000 1.021 228 T CA -0.503 61.609 62.100 0.020 0.000 1.042 228 T CB 1.409 70.286 68.868 0.014 0.000 1.037 228 T HN 0.717 nan 8.240 nan 0.000 0.481 229 D N -0.193 120.223 120.400 0.026 0.000 2.737 229 D HA -0.171 4.469 4.640 0.000 0.000 0.233 229 D C 0.590 176.907 176.300 0.029 0.000 1.155 229 D CA 1.031 55.047 54.000 0.027 0.000 0.667 229 D CB -1.455 39.357 40.800 0.020 0.000 1.060 229 D HN 1.054 nan 8.370 nan 0.000 0.427 230 A N 0.242 123.083 122.820 0.036 0.000 2.406 230 A HA 0.249 4.569 4.320 0.000 0.000 0.243 230 A C 0.796 178.405 177.584 0.041 0.000 1.082 230 A CA 0.318 52.377 52.037 0.036 0.000 0.786 230 A CB 0.770 19.797 19.000 0.045 0.000 1.029 230 A HN 0.083 nan 8.150 nan 0.000 0.495 231 K N 1.493 121.914 120.400 0.034 0.000 2.339 231 K HA 0.473 4.793 4.320 0.000 0.000 0.264 231 K C -1.262 175.366 176.600 0.046 0.000 0.986 231 K CA -0.055 56.255 56.287 0.038 0.000 0.866 231 K CB 1.286 33.801 32.500 0.025 0.000 1.103 231 K HN 0.622 nan 8.250 nan 0.000 0.441 232 I N 2.371 122.983 120.570 0.070 0.000 2.321 232 I HA 0.265 4.435 4.170 0.000 0.000 0.291 232 I C 0.049 176.224 176.117 0.096 0.000 0.998 232 I CA -0.674 60.689 61.300 0.106 0.000 1.227 232 I CB 1.727 39.838 38.000 0.186 0.000 1.368 232 I HN 0.501 nan 8.210 nan 0.000 0.466 233 A N 7.681 130.551 122.820 0.083 0.000 2.256 233 A HA 0.692 5.012 4.320 0.000 0.000 0.317 233 A C -0.791 176.857 177.584 0.106 0.000 1.318 233 A CA -0.457 51.623 52.037 0.071 0.000 0.894 233 A CB 0.327 19.348 19.000 0.035 0.000 1.165 233 A HN 0.573 nan 8.150 nan 0.000 0.525 234 L N 3.067 124.356 121.223 0.111 0.000 2.260 234 L HA 0.365 4.705 4.340 0.000 0.000 0.289 234 L C -0.170 176.748 176.870 0.080 0.000 1.057 234 L CA 0.390 55.305 54.840 0.125 0.000 0.811 234 L CB 1.045 43.163 42.059 0.098 0.000 1.184 234 L HN 0.623 nan 8.230 nan 0.000 0.429 235 L N 3.777 125.049 121.223 0.081 0.000 2.276 235 L HA 0.340 4.681 4.340 0.000 0.000 0.286 235 L C 1.039 177.939 176.870 0.049 0.000 1.024 235 L CA -0.365 54.508 54.840 0.054 0.000 0.826 235 L CB 1.156 43.241 42.059 0.044 0.000 1.211 235 L HN 0.601 nan 8.230 nan 0.000 0.422 236 N N 1.486 120.208 118.700 0.036 0.000 2.521 236 N HA -0.048 4.692 4.740 0.000 0.000 0.188 236 N C 0.273 175.798 175.510 0.025 0.000 1.146 236 N CA 0.108 53.175 53.050 0.029 0.000 0.893 236 N CB 0.110 38.610 38.487 0.022 0.000 0.975 236 N HN 0.515 nan 8.380 nan 0.000 0.451 237 C N -0.148 119.167 119.300 0.026 0.000 2.411 237 C HA 0.786 5.246 4.460 0.000 0.000 0.358 237 C C 0.020 175.025 174.990 0.024 0.000 1.349 237 C CA -0.636 58.395 59.018 0.022 0.000 2.326 237 C CB 0.349 28.101 27.740 0.020 0.000 2.166 237 C HN 0.419 nan 8.230 nan 0.000 0.609 238 A N 2.480 125.313 122.820 0.022 0.000 2.285 238 A HA 0.634 4.954 4.320 0.000 0.000 0.310 238 A C -0.441 177.157 177.584 0.024 0.000 1.266 238 A CA -0.371 51.680 52.037 0.023 0.000 0.832 238 A CB 0.115 19.127 19.000 0.020 0.000 1.163 238 A HN 0.754 nan 8.150 nan 0.000 0.499 239 I N 2.817 123.403 120.570 0.026 0.000 2.349 239 I HA 0.075 4.245 4.170 0.000 0.000 0.302 239 I C 0.553 176.690 176.117 0.034 0.000 1.180 239 I CA -0.054 61.264 61.300 0.031 0.000 1.405 239 I CB -0.199 37.821 38.000 0.033 0.000 1.474 239 I HN 0.606 nan 8.210 nan 0.000 0.632 264 T N -4.353 110.228 114.554 0.044 0.000 3.442 264 T HA 0.695 5.045 4.350 0.000 0.000 0.135 264 T C 1.021 175.738 174.700 0.029 0.000 0.806 264 T CA 1.840 63.959 62.100 0.031 0.000 0.810 264 T CB 0.312 69.197 68.868 0.029 0.000 1.131 264 T HN 2.163 nan 8.240 nan 0.000 0.264 265 A N -0.017 122.825 122.820 0.036 0.000 2.441 265 A HA 0.683 5.003 4.320 0.000 0.000 0.209 265 A C 0.487 178.095 177.584 0.041 0.000 1.645 265 A CA 0.559 52.615 52.037 0.031 0.000 1.362 265 A CB -0.124 18.886 19.000 0.017 0.000 1.035 265 A HN 0.627 nan 8.150 nan 0.000 0.487 266 S N 1.356 117.090 115.700 0.056 0.000 3.041 266 S HA 0.285 4.755 4.470 0.000 0.000 0.250 266 S C 0.376 175.020 174.600 0.073 0.000 0.898 266 S CA 0.767 59.000 58.200 0.055 0.000 1.100 266 S CB -0.571 62.651 63.200 0.035 0.000 1.149 266 S HN 1.174 nan 8.310 nan 0.000 0.540 267 E N 0.308 120.585 120.200 0.129 0.000 2.238 267 E HA -0.258 4.092 4.350 0.000 0.000 0.219 267 E C 0.181 176.810 176.600 0.049 0.000 1.275 267 E CA 0.865 57.358 56.400 0.155 0.000 0.714 267 E CB -2.017 27.762 29.700 0.131 0.000 1.154 267 E HN 0.673 nan 8.360 nan 0.000 0.363 268 M N 0.283 119.917 119.600 0.057 0.000 2.747 268 M HA 0.009 4.489 4.480 0.000 0.000 0.221 268 M C 0.505 176.818 176.300 0.022 0.000 1.107 268 M CA 0.463 55.778 55.300 0.025 0.000 1.031 268 M CB 0.199 32.817 32.600 0.029 0.000 1.727 268 M HN 0.317 nan 8.290 nan 0.000 0.517 269 L N -1.637 119.604 121.223 0.030 0.000 2.920 269 L HA 0.168 4.508 4.340 0.000 0.000 0.257 269 L C 1.542 178.357 176.870 -0.091 0.000 1.150 269 L CA 0.655 55.528 54.840 0.054 0.000 0.959 269 L CB -0.552 41.635 42.059 0.213 0.000 1.321 269 L HN 0.174 nan 8.230 nan 0.000 0.555 270 K N 0.340 120.551 120.400 -0.315 0.000 2.283 270 K HA -0.116 4.204 4.320 0.000 0.000 0.202 270 K C 1.217 177.701 176.600 -0.194 0.000 1.048 270 K CA 0.980 57.009 56.287 -0.430 0.000 0.948 270 K CB 0.248 32.453 32.500 -0.491 0.000 0.742 270 K HN 0.236 nan 8.250 nan 0.000 0.458 271 D N 1.138 121.467 120.400 -0.118 0.000 2.081 271 D HA -0.152 4.488 4.640 0.000 0.000 0.194 271 D C 1.818 178.092 176.300 -0.044 0.000 0.986 271 D CA 1.408 55.369 54.000 -0.065 0.000 0.837 271 D CB -0.278 40.498 40.800 -0.040 0.000 0.985 271 D HN 0.075 nan 8.370 nan 0.000 0.448 272 M N 0.318 119.904 119.600 -0.024 0.000 2.144 272 M HA -0.149 4.331 4.480 0.000 0.000 0.260 272 M C 2.189 178.486 176.300 -0.005 0.000 1.067 272 M CA 0.972 56.269 55.300 -0.004 0.000 1.095 272 M CB -0.106 32.504 32.600 0.016 0.000 1.365 272 M HN -0.102 nan 8.290 nan 0.000 0.406 273 V N -0.502 119.405 119.914 -0.013 0.000 2.719 273 V HA -0.099 4.021 4.120 0.000 0.000 0.252 273 V C 2.216 178.293 176.094 -0.028 0.000 1.065 273 V CA 1.683 63.981 62.300 -0.003 0.000 1.086 273 V CB -0.743 31.096 31.823 0.028 0.000 0.700 273 V HN 0.508 nan 8.190 nan 0.000 0.467 274 A N -0.804 121.985 122.820 -0.051 0.000 2.220 274 A HA 0.093 4.413 4.320 0.000 0.000 0.211 274 A C 1.955 179.519 177.584 -0.032 0.000 1.176 274 A CA 0.236 52.244 52.037 -0.048 0.000 0.834 274 A CB -0.102 18.857 19.000 -0.069 0.000 0.868 274 A HN 0.531 nan 8.150 nan 0.000 0.488 275 E N -0.091 120.094 120.200 -0.026 0.000 2.216 275 E HA -0.019 4.332 4.350 0.000 0.000 0.192 275 E C 1.389 177.983 176.600 -0.010 0.000 0.988 275 E CA 0.768 57.158 56.400 -0.016 0.000 0.834 275 E CB -0.097 29.596 29.700 -0.013 0.000 0.772 275 E HN 0.698 nan 8.360 nan 0.000 0.479 276 I N 0.923 121.488 120.570 -0.009 0.000 2.480 276 I HA -0.154 4.016 4.170 0.000 0.000 0.251 276 I C 2.427 178.539 176.117 -0.008 0.000 1.124 276 I CA 0.730 62.027 61.300 -0.005 0.000 1.444 276 I CB -0.023 37.975 38.000 -0.004 0.000 1.098 276 I HN -0.076 nan 8.210 nan 0.000 0.428 277 K N 1.527 121.920 120.400 -0.013 0.000 2.439 277 K HA -0.034 4.286 4.320 0.000 0.000 0.197 277 K C 2.004 178.596 176.600 -0.012 0.000 1.041 277 K CA 0.856 57.134 56.287 -0.014 0.000 0.970 277 K CB 0.112 32.601 32.500 -0.019 0.000 0.773 277 K HN 0.285 nan 8.250 nan 0.000 0.479 278 A N 0.703 123.516 122.820 -0.012 0.000 1.968 278 A HA -0.094 4.226 4.320 0.000 0.000 0.217 278 A C 1.953 179.533 177.584 -0.006 0.000 1.169 278 A CA 1.664 53.695 52.037 -0.010 0.000 0.638 278 A CB -0.280 18.714 19.000 -0.011 0.000 0.812 278 A HN 0.439 nan 8.150 nan 0.000 0.446 279 S N -2.116 113.582 115.700 -0.003 0.000 2.496 279 S HA 0.375 4.845 4.470 0.000 0.000 0.224 279 S C 1.346 175.947 174.600 0.002 0.000 0.996 279 S CA 0.970 59.171 58.200 0.001 0.000 0.927 279 S CB -0.099 63.104 63.200 0.004 0.000 0.774 279 S HN 1.852 nan 8.310 nan 0.000 0.524 280 G N 0.674 109.474 108.800 -0.000 0.000 2.131 280 G HA2 0.041 4.001 3.960 0.000 0.000 0.201 280 G HA3 0.041 4.001 3.960 0.000 0.000 0.201 280 G C 0.013 174.914 174.900 0.002 0.000 1.000 280 G CA -0.312 44.788 45.100 0.000 0.000 0.680 280 G HN 1.181 nan 8.290 nan 0.000 0.514 281 A N 0.555 123.375 122.820 0.000 0.000 2.269 281 A HA 0.642 4.962 4.320 0.000 0.000 0.302 281 A C 0.997 178.574 177.584 -0.011 0.000 1.266 281 A CA 0.240 52.277 52.037 0.001 0.000 0.894 281 A CB 0.247 19.249 19.000 0.004 0.000 1.147 281 A HN 0.884 nan 8.150 nan 0.000 0.537 282 N N 1.691 120.384 118.700 -0.011 0.000 2.270 282 N HA 0.166 4.906 4.740 0.000 0.000 0.198 282 N C -0.563 174.922 175.510 -0.042 0.000 1.117 282 N CA 0.046 53.083 53.050 -0.022 0.000 0.845 282 N CB 0.434 38.914 38.487 -0.012 0.000 0.980 282 N HN 0.212 nan 8.380 nan 0.000 0.486 283 V N 0.644 120.527 119.914 -0.052 0.000 2.851 283 V HA 0.489 4.609 4.120 0.000 0.000 0.307 283 V C -1.633 174.376 176.094 -0.141 0.000 1.129 283 V CA -1.015 61.213 62.300 -0.121 0.000 0.932 283 V CB 2.342 34.118 31.823 -0.079 0.000 1.024 283 V HN 0.162 nan 8.190 nan 0.000 0.426 284 L N 4.639 125.692 121.223 -0.283 0.000 2.476 284 L HA 0.730 5.070 4.340 0.000 0.000 0.269 284 L C -1.881 174.780 176.870 -0.350 0.000 0.965 284 L CA 0.090 54.811 54.840 -0.197 0.000 0.845 284 L CB 1.713 43.712 42.059 -0.100 0.000 1.259 284 L HN 0.471 nan 8.230 nan 0.000 0.403 285 F N 4.818 124.775 119.950 0.011 0.000 2.361 285 F HA 0.498 5.025 4.527 0.000 0.000 0.364 285 F C 0.175 175.980 175.800 0.008 0.000 1.117 285 F CA -0.331 57.675 58.000 0.009 0.000 1.071 285 F CB 1.408 40.412 39.000 0.007 0.000 1.188 285 F HN 0.486 nan 8.300 nan 0.000 0.464 286 C N 4.201 123.588 119.300 0.144 0.000 2.329 286 C HA 0.220 4.680 4.460 0.000 0.000 0.329 286 C C 1.603 176.646 174.990 0.088 0.000 1.275 286 C CA -0.351 58.722 59.018 0.091 0.000 1.726 286 C CB 0.850 28.620 27.740 0.049 0.000 2.291 286 C HN 1.038 nan 8.230 nan 0.000 0.514 287 Q N 3.166 123.006 119.800 0.067 0.000 2.187 287 Q HA 0.001 4.341 4.340 0.000 0.000 0.199 287 Q C 0.967 176.989 176.000 0.037 0.000 0.957 287 Q CA 1.140 56.972 55.803 0.049 0.000 0.857 287 Q CB 0.227 28.986 28.738 0.035 0.000 0.929 287 Q HN 0.631 nan 8.270 nan 0.000 0.453 288 K N -0.019 120.402 120.400 0.034 0.000 2.836 288 K HA 0.372 4.693 4.320 0.000 0.000 0.300 288 K C 0.178 176.794 176.600 0.027 0.000 1.004 288 K CA 0.021 56.324 56.287 0.027 0.000 1.140 288 K CB -0.574 31.940 32.500 0.023 0.000 1.458 288 K HN 0.152 nan 8.250 nan 0.000 0.550 289 G N 0.376 109.190 108.800 0.023 0.000 2.420 289 G HA2 0.535 4.495 3.960 0.000 0.000 0.284 289 G HA3 0.535 4.495 3.960 0.000 0.000 0.284 289 G C -0.475 174.438 174.900 0.022 0.000 1.177 289 G CA -0.591 44.522 45.100 0.021 0.000 0.841 289 G HN 0.299 nan 8.290 nan 0.000 0.527 290 I N 2.046 122.628 120.570 0.019 0.000 2.390 290 I HA 0.131 4.301 4.170 0.000 0.000 0.283 290 I C 0.013 176.141 176.117 0.017 0.000 1.016 290 I CA -0.700 60.612 61.300 0.020 0.000 1.151 290 I CB 1.364 39.374 38.000 0.015 0.000 1.293 290 I HN 0.425 nan 8.210 nan 0.000 0.458 291 D N 4.467 124.880 120.400 0.022 0.000 2.364 291 D HA -0.082 4.558 4.640 0.000 0.000 0.236 291 D C 0.590 176.895 176.300 0.009 0.000 1.221 291 D CA 0.314 54.324 54.000 0.018 0.000 0.891 291 D CB 1.173 41.989 40.800 0.026 0.000 1.190 291 D HN 0.472 nan 8.370 nan 0.000 0.449 292 D N 1.524 121.921 120.400 -0.005 0.000 2.264 292 D HA -0.067 4.573 4.640 0.000 0.000 0.208 292 D C 1.822 178.091 176.300 -0.052 0.000 0.966 292 D CA 0.390 54.376 54.000 -0.023 0.000 0.864 292 D CB 0.154 40.937 40.800 -0.030 0.000 0.933 292 D HN 0.354 nan 8.370 nan 0.000 0.499 293 L N 0.233 121.428 121.223 -0.047 0.000 2.095 293 L HA -0.001 4.339 4.340 0.000 0.000 0.204 293 L C 1.994 178.788 176.870 -0.128 0.000 1.080 293 L CA 0.778 55.547 54.840 -0.117 0.000 0.759 293 L CB -0.103 41.956 42.059 0.002 0.000 0.914 293 L HN -0.051 nan 8.230 nan 0.000 0.439 294 A N -1.343 121.510 122.820 0.055 0.000 2.259 294 A HA -0.054 4.266 4.320 0.000 0.000 0.208 294 A C 1.890 179.507 177.584 0.056 0.000 1.201 294 A CA 0.387 52.507 52.037 0.139 0.000 0.824 294 A CB -0.162 18.917 19.000 0.131 0.000 0.838 294 A HN 0.470 nan 8.150 nan 0.000 0.485 295 Q N -1.726 118.075 119.800 0.002 0.000 2.339 295 Q HA -0.024 4.316 4.340 0.000 0.000 0.205 295 Q C 1.849 177.843 176.000 -0.010 0.000 0.925 295 Q CA 0.660 56.461 55.803 -0.004 0.000 0.898 295 Q CB -0.079 28.656 28.738 -0.005 0.000 1.013 295 Q HN 0.946 nan 8.270 nan 0.000 0.504 296 H N -0.647 118.322 119.070 -0.169 0.000 2.448 296 H HA -0.062 4.494 4.556 0.000 0.000 0.292 296 H C 0.963 176.212 175.328 -0.132 0.000 1.035 296 H CA 0.959 56.888 56.048 -0.200 0.000 1.349 296 H CB 0.372 29.943 29.762 -0.319 0.000 1.425 296 H HN 0.221 nan 8.280 nan 0.000 0.539 297 Y N 0.736 120.937 120.300 -0.167 0.000 2.439 297 Y HA -0.039 4.511 4.550 0.000 0.000 0.292 297 Y C 2.650 178.460 175.900 -0.149 0.000 1.130 297 Y CA 0.392 58.373 58.100 -0.198 0.000 1.254 297 Y CB -0.247 38.174 38.460 -0.065 0.000 1.000 297 Y HN 0.154 nan 8.280 nan 0.000 0.554 298 L N -1.203 120.036 121.223 0.027 0.000 2.068 298 L HA -0.083 4.257 4.340 0.000 0.000 0.204 298 L C 2.645 179.489 176.870 -0.043 0.000 1.076 298 L CA 0.951 55.787 54.840 -0.007 0.000 0.753 298 L CB -0.794 41.260 42.059 -0.008 0.000 0.910 298 L HN 0.145 nan 8.230 nan 0.000 0.439 299 A N 0.034 122.817 122.820 -0.061 0.000 1.948 299 A HA -0.292 4.028 4.320 0.000 0.000 0.220 299 A C 2.332 179.870 177.584 -0.077 0.000 1.177 299 A CA 2.082 54.083 52.037 -0.060 0.000 0.636 299 A CB -0.487 18.488 19.000 -0.043 0.000 0.815 299 A HN 0.306 nan 8.150 nan 0.000 0.449 300 K N -0.837 119.480 120.400 -0.138 0.000 2.211 300 K HA -0.107 4.213 4.320 0.000 0.000 0.203 300 K C 1.569 178.132 176.600 -0.061 0.000 1.050 300 K CA 1.236 57.446 56.287 -0.128 0.000 0.945 300 K CB 0.017 32.382 32.500 -0.226 0.000 0.732 300 K HN 0.448 nan 8.250 nan 0.000 0.451 301 E N -1.178 118.994 120.200 -0.047 0.000 2.318 301 E HA 0.006 4.356 4.350 0.000 0.000 0.193 301 E C 1.070 177.654 176.600 -0.026 0.000 0.998 301 E CA 0.942 57.324 56.400 -0.030 0.000 0.859 301 E CB 0.806 30.492 29.700 -0.022 0.000 0.812 301 E HN 0.514 nan 8.360 nan 0.000 0.492 302 G N 1.547 110.329 108.800 -0.030 0.000 2.163 302 G HA2 -0.223 3.737 3.960 0.000 0.000 0.213 302 G HA3 -0.223 3.737 3.960 0.000 0.000 0.213 302 G C 0.268 175.150 174.900 -0.030 0.000 0.991 302 G CA 0.011 45.095 45.100 -0.026 0.000 0.653 302 G HN 0.182 nan 8.290 nan 0.000 0.518 303 I N 1.857 122.406 120.570 -0.036 0.000 2.342 303 I HA 0.412 4.582 4.170 0.000 0.000 0.291 303 I C 0.858 176.937 176.117 -0.064 0.000 1.010 303 I CA -1.094 60.178 61.300 -0.046 0.000 1.308 303 I CB 1.455 39.430 38.000 -0.042 0.000 1.400 303 I HN -0.082 nan 8.210 nan 0.000 0.488 304 V N 5.001 124.863 119.914 -0.086 0.000 2.607 304 V HA 0.773 4.893 4.120 0.000 0.000 0.289 304 V C 0.417 176.395 176.094 -0.192 0.000 1.053 304 V CA -0.449 61.781 62.300 -0.116 0.000 0.996 304 V CB 1.069 32.826 31.823 -0.109 0.000 0.995 304 V HN 0.896 nan 8.190 nan 0.000 0.476 305 A N 2.948 125.658 122.820 -0.184 0.000 2.549 305 A HA 0.949 5.269 4.320 0.000 0.000 0.297 305 A C -0.617 176.865 177.584 -0.169 0.000 1.061 305 A CA -0.226 51.681 52.037 -0.217 0.000 0.690 305 A CB 1.884 20.812 19.000 -0.119 0.000 1.287 305 A HN 1.690 nan 8.150 nan 0.000 0.402 306 A N 1.811 124.530 122.820 -0.168 0.000 2.374 306 A HA 0.777 5.097 4.320 0.000 0.000 0.305 306 A C -0.091 177.516 177.584 0.039 0.000 1.053 306 A CA -0.667 51.358 52.037 -0.020 0.000 0.726 306 A CB 0.934 19.984 19.000 0.084 0.000 1.229 306 A HN 1.225 nan 8.150 nan 0.000 0.431 307 R N 2.297 122.820 120.500 0.038 0.000 2.598 307 R HA 0.615 4.955 4.340 0.000 0.000 0.279 307 R C -0.627 175.704 176.300 0.051 0.000 0.984 307 R CA -0.459 55.666 56.100 0.042 0.000 0.999 307 R CB 0.575 30.890 30.300 0.025 0.000 1.114 307 R HN 0.784 nan 8.270 nan 0.000 0.493 308 R N 0.503 121.032 120.500 0.048 0.000 3.267 308 R HA -0.109 4.231 4.340 0.000 0.000 0.254 308 R C -0.602 175.725 176.300 0.046 0.000 0.993 308 R CA 0.669 56.793 56.100 0.040 0.000 0.670 308 R CB -1.918 28.399 30.300 0.029 0.000 1.125 308 R HN 0.468 nan 8.270 nan 0.000 0.434 309 V N 2.021 121.973 119.914 0.063 0.000 2.583 309 V HA 0.079 4.199 4.120 0.000 0.000 0.287 309 V C 1.281 177.388 176.094 0.021 0.000 1.051 309 V CA -0.379 61.954 62.300 0.054 0.000 1.010 309 V CB 1.366 33.241 31.823 0.087 0.000 0.988 309 V HN 0.117 nan 8.190 nan 0.000 0.478 310 K N 3.469 123.870 120.400 0.002 0.000 2.586 310 K HA -0.110 4.210 4.320 0.000 0.000 0.280 310 K C 1.279 177.871 176.600 -0.013 0.000 0.972 310 K CA 0.363 56.644 56.287 -0.009 0.000 1.040 310 K CB 0.425 32.912 32.500 -0.021 0.000 0.870 310 K HN 0.651 nan 8.250 nan 0.000 0.497 311 K N 1.995 122.390 120.400 -0.009 0.000 2.103 311 K HA -0.189 4.131 4.320 0.000 0.000 0.207 311 K C 1.830 178.417 176.600 -0.021 0.000 1.048 311 K CA 1.948 58.230 56.287 -0.010 0.000 0.930 311 K CB 0.016 32.513 32.500 -0.005 0.000 0.716 311 K HN 0.641 nan 8.250 nan 0.000 0.444 312 S N 0.505 116.189 115.700 -0.026 0.000 2.382 312 S HA -0.153 4.317 4.470 0.000 0.000 0.228 312 S C 1.523 176.092 174.600 -0.052 0.000 1.027 312 S CA 1.431 59.610 58.200 -0.034 0.000 0.991 312 S CB -0.286 62.895 63.200 -0.032 0.000 0.823 312 S HN 0.300 nan 8.310 nan 0.000 0.469 313 D N 0.564 120.927 120.400 -0.062 0.000 2.347 313 D HA 0.130 4.770 4.640 0.000 0.000 0.215 313 D C 1.625 177.853 176.300 -0.121 0.000 0.976 313 D CA 0.549 54.489 54.000 -0.100 0.000 0.884 313 D CB -0.042 40.696 40.800 -0.103 0.000 0.915 313 D HN 0.349 nan 8.370 nan 0.000 0.526 314 M N -0.184 119.370 119.600 -0.076 0.000 2.357 314 M HA 0.023 4.503 4.480 0.000 0.000 0.266 314 M C 1.773 178.040 176.300 -0.056 0.000 1.095 314 M CA 0.868 56.131 55.300 -0.063 0.000 1.156 314 M CB -0.514 32.074 32.600 -0.020 0.000 1.365 314 M HN -0.005 nan 8.290 nan 0.000 0.447 315 E N 0.121 120.293 120.200 -0.046 0.000 2.107 315 E HA -0.107 4.243 4.350 0.000 0.000 0.191 315 E C 2.040 178.611 176.600 -0.049 0.000 0.982 315 E CA 0.630 57.008 56.400 -0.037 0.000 0.809 315 E CB 0.041 29.724 29.700 -0.028 0.000 0.756 315 E HN 0.279 nan 8.360 nan 0.000 0.459 316 K N 0.742 121.101 120.400 -0.068 0.000 2.063 316 K HA -0.140 4.180 4.320 0.000 0.000 0.208 316 K C 2.177 178.721 176.600 -0.093 0.000 1.048 316 K CA 1.023 57.262 56.287 -0.080 0.000 0.928 316 K CB -0.293 32.148 32.500 -0.099 0.000 0.713 316 K HN 0.211 nan 8.250 nan 0.000 0.442 317 L N 0.312 121.459 121.223 -0.126 0.000 2.131 317 L HA -0.076 4.264 4.340 0.000 0.000 0.206 317 L C 2.565 179.395 176.870 -0.067 0.000 1.087 317 L CA 0.828 55.582 54.840 -0.143 0.000 0.767 317 L CB -0.516 41.389 42.059 -0.257 0.000 0.917 317 L HN 0.087 nan 8.230 nan 0.000 0.441 318 A N 0.724 123.516 122.820 -0.046 0.000 1.892 318 A HA -0.259 4.061 4.320 0.000 0.000 0.218 318 A C 2.301 179.880 177.584 -0.008 0.000 1.188 318 A CA 2.097 54.124 52.037 -0.016 0.000 0.631 318 A CB -0.336 18.657 19.000 -0.011 0.000 0.822 318 A HN 0.401 nan 8.150 nan 0.000 0.447 319 K N -0.717 119.673 120.400 -0.016 0.000 2.098 319 K HA 0.225 4.546 4.320 0.000 0.000 0.203 319 K C 2.282 178.881 176.600 -0.002 0.000 1.051 319 K CA 0.844 57.127 56.287 -0.005 0.000 0.957 319 K CB -0.229 32.264 32.500 -0.012 0.000 0.738 319 K HN 0.372 nan 8.250 nan 0.000 0.447 320 A N 1.678 124.487 122.820 -0.019 0.000 1.929 320 A HA -0.121 4.199 4.320 0.000 0.000 0.216 320 A C 2.287 179.874 177.584 0.004 0.000 1.176 320 A CA 1.968 53.995 52.037 -0.018 0.000 0.628 320 A CB -0.848 18.129 19.000 -0.039 0.000 0.816 320 A HN 0.445 nan 8.150 nan 0.000 0.444 321 T N -4.448 110.110 114.554 0.007 0.000 3.009 321 T HA 0.384 4.735 4.350 0.000 0.000 0.258 321 T C 1.356 176.081 174.700 0.042 0.000 1.063 321 T CA 1.178 63.295 62.100 0.029 0.000 1.139 321 T CB -0.126 68.762 68.868 0.033 0.000 0.890 321 T HN 1.716 nan 8.240 nan 0.000 0.471 322 G N 1.202 110.024 108.800 0.037 0.000 2.215 322 G HA2 0.223 4.183 3.960 0.000 0.000 0.198 322 G HA3 0.223 4.183 3.960 0.000 0.000 0.198 322 G C 0.095 175.013 174.900 0.031 0.000 1.047 322 G CA -0.125 44.999 45.100 0.040 0.000 0.747 322 G HN 0.987 nan 8.290 nan 0.000 0.495 323 A N -0.366 122.471 122.820 0.028 0.000 2.580 323 A HA 0.912 5.232 4.320 0.000 0.000 0.275 323 A C 0.271 177.869 177.584 0.024 0.000 1.321 323 A CA -0.652 51.403 52.037 0.031 0.000 0.924 323 A CB 0.909 19.933 19.000 0.041 0.000 1.512 323 A HN 0.426 nan 8.150 nan 0.000 0.492 324 N N -0.834 117.882 118.700 0.027 0.000 2.369 324 N HA 0.318 5.058 4.740 0.000 0.000 0.287 324 N C -1.691 173.834 175.510 0.025 0.000 1.067 324 N CA -0.335 52.728 53.050 0.022 0.000 0.888 324 N CB 2.104 40.602 38.487 0.019 0.000 1.616 324 N HN 0.245 nan 8.380 nan 0.000 0.482 325 V N 3.864 123.790 119.914 0.020 0.000 2.381 325 V HA 0.195 4.315 4.120 0.000 0.000 0.257 325 V C 0.474 176.580 176.094 0.020 0.000 1.057 325 V CA -0.070 62.243 62.300 0.022 0.000 1.013 325 V CB -0.288 31.544 31.823 0.015 0.000 1.069 325 V HN 0.452 nan 8.190 nan 0.000 0.484 326 I N 4.860 125.445 120.570 0.024 0.000 2.331 326 I HA 0.235 4.405 4.170 0.000 0.000 0.292 326 I C 1.353 177.482 176.117 0.020 0.000 0.998 326 I CA 0.259 61.572 61.300 0.021 0.000 1.267 326 I CB 1.435 39.447 38.000 0.021 0.000 1.386 326 I HN 0.496 nan 8.210 nan 0.000 0.476 327 T N 4.150 118.714 114.554 0.016 0.000 3.009 327 T HA -0.016 4.334 4.350 0.000 0.000 0.258 327 T C 0.935 175.643 174.700 0.014 0.000 1.063 327 T CA 0.670 62.779 62.100 0.015 0.000 1.139 327 T CB -0.142 68.734 68.868 0.012 0.000 0.890 327 T HN 0.404 nan 8.240 nan 0.000 0.471 328 N N 1.438 120.145 118.700 0.012 0.000 2.462 328 N HA 0.252 4.992 4.740 0.000 0.000 0.242 328 N C 0.641 176.158 175.510 0.011 0.000 1.010 328 N CA -0.330 52.726 53.050 0.011 0.000 0.939 328 N CB 0.480 38.972 38.487 0.008 0.000 1.127 328 N HN 0.164 nan 8.380 nan 0.000 0.509 329 I N 3.256 123.833 120.570 0.011 0.000 2.567 329 I HA -0.212 3.958 4.170 0.000 0.000 0.257 329 I C 1.442 177.563 176.117 0.007 0.000 1.184 329 I CA 1.124 62.430 61.300 0.011 0.000 1.451 329 I CB 0.257 38.264 38.000 0.011 0.000 1.089 329 I HN 0.425 nan 8.210 nan 0.000 0.441 330 K N 0.133 120.536 120.400 0.005 0.000 2.057 330 K HA -0.188 4.132 4.320 0.000 0.000 0.206 330 K C 1.171 177.773 176.600 0.003 0.000 1.050 330 K CA 1.494 57.783 56.287 0.002 0.000 0.935 330 K CB -0.595 31.906 32.500 0.002 0.000 0.715 330 K HN 0.349 nan 8.250 nan 0.000 0.439 331 D N 0.889 121.292 120.400 0.005 0.000 2.344 331 D HA -0.029 4.611 4.640 0.000 0.000 0.242 331 D C -0.510 175.794 176.300 0.007 0.000 1.159 331 D CA -0.091 53.913 54.000 0.005 0.000 0.859 331 D CB -0.084 40.720 40.800 0.006 0.000 0.925 331 D HN -0.139 nan 8.370 nan 0.000 0.510 332 L N 0.952 122.180 121.223 0.007 0.000 2.462 332 L HA 0.197 4.537 4.340 0.000 0.000 0.283 332 L C 0.243 177.118 176.870 0.007 0.000 1.166 332 L CA 0.154 55.000 54.840 0.009 0.000 0.964 332 L CB -0.289 41.776 42.059 0.010 0.000 1.294 332 L HN -0.156 nan 8.230 nan 0.000 0.449 333 S N 2.842 118.547 115.700 0.008 0.000 2.606 333 S HA 0.428 4.898 4.470 0.000 0.000 0.257 333 S C 1.292 175.897 174.600 0.008 0.000 1.327 333 S CA 0.097 58.301 58.200 0.006 0.000 0.984 333 S CB 1.025 64.229 63.200 0.006 0.000 0.941 333 S HN 0.778 nan 8.310 nan 0.000 0.576 334 A N 1.132 123.955 122.820 0.006 0.000 2.307 334 A HA 0.233 4.553 4.320 0.000 0.000 0.218 334 A C 1.110 178.699 177.584 0.009 0.000 1.228 334 A CA 0.180 52.221 52.037 0.007 0.000 0.857 334 A CB -0.163 18.839 19.000 0.004 0.000 0.897 334 A HN 0.706 nan 8.150 nan 0.000 0.495 335 Q N -0.303 119.503 119.800 0.009 0.000 2.171 335 Q HA 0.124 4.464 4.340 0.000 0.000 0.218 335 Q C -0.248 175.760 176.000 0.013 0.000 0.822 335 Q CA 0.129 55.938 55.803 0.010 0.000 0.987 335 Q CB 0.613 29.354 28.738 0.006 0.000 1.144 335 Q HN 0.368 nan 8.270 nan 0.000 0.494 336 D N -0.022 120.387 120.400 0.015 0.000 2.319 336 D HA 0.080 4.720 4.640 0.000 0.000 0.230 336 D C -0.281 176.036 176.300 0.028 0.000 1.094 336 D CA 0.249 54.261 54.000 0.020 0.000 0.856 336 D CB 0.354 41.165 40.800 0.019 0.000 0.915 336 D HN 0.238 nan 8.370 nan 0.000 0.517 337 L N 0.380 121.620 121.223 0.028 0.000 2.307 337 L HA 0.501 4.841 4.340 0.000 0.000 0.282 337 L C 1.345 178.238 176.870 0.039 0.000 1.051 337 L CA -0.900 53.962 54.840 0.037 0.000 0.804 337 L CB 1.634 43.712 42.059 0.031 0.000 1.197 337 L HN -0.086 nan 8.230 nan 0.000 0.431 338 G N 0.975 109.806 108.800 0.051 0.000 2.508 338 G HA2 0.297 4.257 3.960 0.000 0.000 0.278 338 G HA3 0.297 4.257 3.960 0.000 0.000 0.278 338 G C -1.363 173.567 174.900 0.050 0.000 1.389 338 G CA -0.070 45.059 45.100 0.049 0.000 1.050 338 G HN 0.649 nan 8.290 nan 0.000 0.522 339 D N -1.546 118.885 120.400 0.051 0.000 2.763 339 D HA 0.554 5.194 4.640 0.000 0.000 0.235 339 D C -0.554 175.778 176.300 0.053 0.000 1.334 339 D CA -0.111 53.919 54.000 0.050 0.000 0.950 339 D CB 1.494 42.319 40.800 0.040 0.000 1.433 339 D HN 0.562 nan 8.370 nan 0.000 0.580 340 A N 1.941 124.797 122.820 0.060 0.000 2.371 340 A HA 0.644 4.964 4.320 0.000 0.000 0.311 340 A C 1.035 178.652 177.584 0.055 0.000 1.068 340 A CA -0.434 51.639 52.037 0.060 0.000 0.744 340 A CB 1.604 20.649 19.000 0.075 0.000 1.239 340 A HN 0.586 nan 8.150 nan 0.000 0.435 341 G N 0.448 109.277 108.800 0.048 0.000 2.990 341 G HA2 0.397 4.358 3.960 0.000 0.000 0.206 341 G HA3 0.397 4.358 3.960 0.000 0.000 0.206 341 G C 0.058 174.983 174.900 0.042 0.000 1.169 341 G CA 0.668 45.792 45.100 0.040 0.000 0.819 341 G HN 0.897 nan 8.290 nan 0.000 0.517 342 L N -0.413 120.843 121.223 0.056 0.000 2.830 342 L HA 0.329 4.669 4.340 0.000 0.000 0.259 342 L C -1.770 175.154 176.870 0.090 0.000 0.926 342 L CA -0.695 54.181 54.840 0.059 0.000 0.993 342 L CB 1.936 44.025 42.059 0.049 0.000 1.589 342 L HN -0.174 nan 8.230 nan 0.000 0.460 343 V N 3.442 123.411 119.914 0.091 0.000 2.409 343 V HA 0.556 4.676 4.120 0.000 0.000 0.290 343 V C -0.525 175.635 176.094 0.109 0.000 1.017 343 V CA -0.424 61.955 62.300 0.132 0.000 0.841 343 V CB 1.602 33.509 31.823 0.140 0.000 1.003 343 V HN 0.726 nan 8.190 nan 0.000 0.426 344 E N 3.016 123.301 120.200 0.143 0.000 2.314 344 E HA 0.433 4.783 4.350 0.000 0.000 0.272 344 E C -1.130 175.559 176.600 0.149 0.000 0.884 344 E CA -0.685 55.770 56.400 0.093 0.000 0.753 344 E CB 2.503 32.211 29.700 0.013 0.000 1.213 344 E HN 0.741 nan 8.360 nan 0.000 0.432 345 E N 3.997 124.256 120.200 0.098 0.000 2.089 345 E HA 0.227 4.577 4.350 0.000 0.000 0.284 345 E C -0.789 175.845 176.600 0.057 0.000 1.023 345 E CA -0.265 56.208 56.400 0.122 0.000 0.819 345 E CB 0.707 30.457 29.700 0.083 0.000 1.076 345 E HN 0.329 nan 8.360 nan 0.000 0.396 346 R N 3.393 123.941 120.500 0.080 0.000 2.832 346 R HA 0.396 4.736 4.340 0.000 0.000 0.271 346 R C -0.490 175.856 176.300 0.078 0.000 0.996 346 R CA -0.936 55.138 56.100 -0.043 0.000 0.977 346 R CB 1.737 31.802 30.300 -0.391 0.000 1.168 346 R HN 0.281 nan 8.270 nan 0.000 0.482 347 K N 1.848 122.265 120.400 0.028 0.000 2.253 347 K HA 0.330 4.650 4.320 0.000 0.000 0.277 347 K C -0.939 175.694 176.600 0.055 0.000 1.053 347 K CA -0.430 55.891 56.287 0.057 0.000 0.892 347 K CB 0.884 33.402 32.500 0.030 0.000 1.102 347 K HN 0.252 nan 8.250 nan 0.000 0.469 348 I N 2.333 122.972 120.570 0.116 0.000 2.439 348 I HA 0.033 4.203 4.170 0.000 0.000 0.283 348 I C 0.052 176.221 176.117 0.088 0.000 1.023 348 I CA 0.459 61.830 61.300 0.118 0.000 1.100 348 I CB 1.634 39.788 38.000 0.257 0.000 1.238 348 I HN 0.721 nan 8.210 nan 0.000 0.445 349 S N 4.652 120.384 115.700 0.053 0.000 3.748 349 S HA -0.141 4.329 4.470 0.000 0.000 0.329 349 S C 1.097 175.715 174.600 0.030 0.000 1.104 349 S CA 1.546 59.767 58.200 0.035 0.000 0.954 349 S CB -1.429 61.791 63.200 0.033 0.000 0.910 349 S HN 2.028 nan 8.310 nan 0.000 0.494 350 G N 0.353 109.171 108.800 0.030 0.000 3.757 350 G HA2 -0.275 3.685 3.960 0.000 0.000 0.215 350 G HA3 -0.275 3.685 3.960 0.000 0.000 0.215 350 G C -0.308 174.611 174.900 0.032 0.000 1.411 350 G CA 0.274 45.388 45.100 0.025 0.000 0.896 350 G HN 0.798 nan 8.290 nan 0.000 0.581 351 D N 1.864 122.286 120.400 0.037 0.000 2.423 351 D HA 0.476 5.116 4.640 0.000 0.000 0.238 351 D C 0.797 177.138 176.300 0.067 0.000 1.142 351 D CA 0.958 54.983 54.000 0.042 0.000 0.884 351 D CB 1.326 42.145 40.800 0.033 0.000 1.199 351 D HN 0.777 nan 8.370 nan 0.000 0.438 352 S N 1.277 117.017 115.700 0.067 0.000 2.438 352 S HA 0.667 5.137 4.470 0.000 0.000 0.316 352 S C -0.130 174.538 174.600 0.113 0.000 1.084 352 S CA -0.897 57.360 58.200 0.095 0.000 1.107 352 S CB 0.853 64.094 63.200 0.069 0.000 0.981 352 S HN 0.349 nan 8.310 nan 0.000 0.466 353 M N 2.615 122.328 119.600 0.189 0.000 2.716 353 M HA 0.536 5.016 4.480 0.000 0.000 0.307 353 M C -0.898 175.563 176.300 0.267 0.000 1.223 353 M CA -0.766 54.625 55.300 0.152 0.000 0.871 353 M CB 2.078 34.679 32.600 0.002 0.000 1.739 353 M HN 0.568 nan 8.290 nan 0.000 0.475 354 I N 2.187 122.861 120.570 0.174 0.000 2.307 354 I HA 0.245 4.415 4.170 0.000 0.000 0.287 354 I C -1.148 175.101 176.117 0.220 0.000 1.054 354 I CA -0.308 61.146 61.300 0.256 0.000 1.218 354 I CB 0.038 38.204 38.000 0.276 0.000 1.398 354 I HN 0.373 nan 8.210 nan 0.000 0.475 355 F N 5.603 125.595 119.950 0.069 0.000 2.467 355 F HA 0.185 4.712 4.527 0.000 0.000 0.362 355 F C 0.729 176.569 175.800 0.066 0.000 1.090 355 F CA -0.381 57.647 58.000 0.047 0.000 1.202 355 F CB 0.859 39.877 39.000 0.031 0.000 1.113 355 F HN 0.075 nan 8.300 nan 0.000 0.541 356 V N 4.329 124.339 119.914 0.161 0.000 2.435 356 V HA 0.139 4.259 4.120 0.000 0.000 0.263 356 V C 0.222 176.372 176.094 0.093 0.000 1.087 356 V CA -0.525 61.851 62.300 0.127 0.000 1.253 356 V CB -0.805 31.053 31.823 0.057 0.000 1.462 356 V HN 0.759 nan 8.190 nan 0.000 0.547 357 E N 0.865 121.142 120.200 0.128 0.000 2.849 357 E HA 0.408 4.758 4.350 0.000 0.000 0.257 357 E C -0.277 176.364 176.600 0.069 0.000 1.306 357 E CA -0.781 55.680 56.400 0.101 0.000 1.058 357 E CB 0.548 30.334 29.700 0.143 0.000 1.249 357 E HN 0.345 nan 8.360 nan 0.000 0.638 358 E N -1.052 119.180 120.200 0.055 0.000 2.238 358 E HA -0.223 4.127 4.350 0.000 0.000 0.219 358 E C -0.621 176.002 176.600 0.038 0.000 1.275 358 E CA 0.075 56.499 56.400 0.041 0.000 0.714 358 E CB -1.890 27.834 29.700 0.039 0.000 1.154 358 E HN 0.358 nan 8.360 nan 0.000 0.363 359 C N 0.512 119.832 119.300 0.034 0.000 2.563 359 C HA 0.113 4.573 4.460 0.000 0.000 0.358 359 C C 2.019 177.031 174.990 0.037 0.000 1.336 359 C CA -0.594 58.445 59.018 0.035 0.000 2.454 359 C CB 0.831 28.588 27.740 0.028 0.000 2.448 359 C HN 0.433 nan 8.230 nan 0.000 0.670 360 K N 0.323 120.756 120.400 0.054 0.000 2.056 360 K HA 0.028 4.348 4.320 0.000 0.000 0.205 360 K C 0.484 177.150 176.600 0.111 0.000 1.035 360 K CA 1.351 57.682 56.287 0.075 0.000 0.955 360 K CB -0.378 32.169 32.500 0.078 0.000 0.769 360 K HN 0.689 nan 8.250 nan 0.000 0.447 361 H N 1.571 120.646 119.070 0.007 0.000 2.418 361 H HA 0.265 4.821 4.556 0.000 0.000 0.238 361 H C -2.629 172.700 175.328 0.002 0.000 1.403 361 H CA -2.205 53.845 56.048 0.004 0.000 1.419 361 H CB 0.445 30.209 29.762 0.004 0.000 1.463 361 H HN -0.066 nan 8.280 nan 0.000 0.515 362 P HA 0.124 nan 4.420 nan 0.000 0.276 362 P C 0.191 177.422 177.300 -0.115 0.000 1.243 362 P CA -0.454 62.598 63.100 -0.079 0.000 0.768 362 P CB 1.112 32.770 31.700 -0.070 0.000 0.856 363 K N 1.077 121.448 120.400 -0.049 0.000 2.373 363 K HA 0.469 4.789 4.320 0.000 0.000 0.202 363 K C 0.242 176.821 176.600 -0.034 0.000 1.025 363 K CA -0.131 56.133 56.287 -0.038 0.000 1.115 363 K CB 0.654 33.156 32.500 0.004 0.000 0.858 363 K HN 0.495 nan 8.250 nan 0.000 0.525 364 A N 0.144 122.940 122.820 -0.039 0.000 2.475 364 A HA 0.760 5.080 4.320 0.000 0.000 0.301 364 A C -1.089 176.468 177.584 -0.045 0.000 1.059 364 A CA -0.575 51.437 52.037 -0.042 0.000 0.710 364 A CB 1.770 20.743 19.000 -0.044 0.000 1.288 364 A HN -0.115 nan 8.150 nan 0.000 0.408 365 V N 0.294 120.182 119.914 -0.044 0.000 3.087 365 V HA 0.689 4.809 4.120 0.000 0.000 0.306 365 V C -0.391 175.678 176.094 -0.041 0.000 1.187 365 V CA -0.519 61.757 62.300 -0.040 0.000 0.999 365 V CB 2.547 34.347 31.823 -0.037 0.000 1.049 365 V HN 0.955 nan 8.190 nan 0.000 0.431 366 T N 4.712 119.243 114.554 -0.038 0.000 2.792 366 T HA 0.507 4.857 4.350 0.000 0.000 0.280 366 T C -0.409 174.274 174.700 -0.028 0.000 0.990 366 T CA -0.448 61.626 62.100 -0.044 0.000 0.960 366 T CB 1.089 69.917 68.868 -0.066 0.000 0.939 366 T HN 0.384 nan 8.240 nan 0.000 0.439 367 M N 3.904 123.487 119.600 -0.027 0.000 2.077 367 M HA 0.301 4.781 4.480 0.000 0.000 0.348 367 M C -0.658 175.632 176.300 -0.016 0.000 1.252 367 M CA -0.862 54.428 55.300 -0.016 0.000 1.096 367 M CB 0.558 33.149 32.600 -0.014 0.000 1.568 367 M HN 0.370 nan 8.290 nan 0.000 0.456 368 L N 6.581 127.802 121.223 -0.003 0.000 2.295 368 L HA 0.435 4.775 4.340 0.000 0.000 0.288 368 L C -0.469 176.406 176.870 0.009 0.000 1.079 368 L CA 0.205 55.047 54.840 0.003 0.000 0.830 368 L CB -0.031 42.047 42.059 0.032 0.000 1.200 368 L HN 0.503 nan 8.230 nan 0.000 0.438 369 I N 5.635 126.206 120.570 0.001 0.000 2.440 369 I HA 0.471 4.642 4.170 0.000 0.000 0.294 369 I C 0.118 176.239 176.117 0.008 0.000 0.995 369 I CA -0.657 60.645 61.300 0.004 0.000 1.306 369 I CB 0.799 38.798 38.000 -0.001 0.000 1.407 369 I HN 0.550 nan 8.210 nan 0.000 0.501 370 R N 3.642 124.148 120.500 0.011 0.000 2.740 370 R HA 0.813 5.154 4.340 0.000 0.000 0.273 370 R C -0.768 175.537 176.300 0.009 0.000 0.998 370 R CA -1.060 55.047 56.100 0.012 0.000 0.900 370 R CB 2.490 32.802 30.300 0.020 0.000 1.223 370 R HN 0.878 nan 8.270 nan 0.000 0.466 371 G N -0.410 108.394 108.800 0.008 0.000 2.579 371 G HA2 0.251 4.211 3.960 0.000 0.000 0.292 371 G HA3 0.251 4.211 3.960 0.000 0.000 0.292 371 G C 0.545 175.448 174.900 0.006 0.000 1.484 371 G CA -0.219 44.886 45.100 0.008 0.000 0.813 371 G HN 0.510 nan 8.290 nan 0.000 0.515 372 T N -1.729 112.829 114.554 0.007 0.000 2.580 372 T HA -0.024 4.326 4.350 0.000 0.000 0.265 372 T C 1.700 176.402 174.700 0.003 0.000 1.063 372 T CA 2.437 64.541 62.100 0.006 0.000 1.170 372 T CB -0.800 68.073 68.868 0.009 0.000 0.863 372 T HN 1.430 nan 8.240 nan 0.000 0.418 373 T N -1.085 113.473 114.554 0.006 0.000 2.893 373 T HA 0.507 4.857 4.350 0.000 0.000 0.279 373 T C 0.989 175.673 174.700 -0.025 0.000 0.991 373 T CA -0.250 61.849 62.100 -0.002 0.000 0.950 373 T CB 1.846 70.727 68.868 0.021 0.000 1.223 373 T HN 0.173 nan 8.240 nan 0.000 0.585 374 E N -0.518 119.635 120.200 -0.078 0.000 2.051 374 E HA -0.012 4.338 4.350 0.000 0.000 0.189 374 E C 1.821 178.318 176.600 -0.172 0.000 0.979 374 E CA 1.486 57.788 56.400 -0.163 0.000 0.803 374 E CB -0.555 28.978 29.700 -0.278 0.000 0.761 374 E HN 0.856 nan 8.360 nan 0.000 0.451 375 H N -1.114 117.958 119.070 0.003 0.000 2.529 375 H HA 0.072 4.628 4.556 0.000 0.000 0.277 375 H C 1.881 177.211 175.328 0.003 0.000 0.999 375 H CA 0.784 56.833 56.048 0.002 0.000 1.256 375 H CB 0.408 30.171 29.762 0.002 0.000 1.402 375 H HN -0.006 nan 8.280 nan 0.000 0.566 376 V N 0.652 120.624 119.914 0.097 0.000 2.307 376 V HA -0.226 3.894 4.120 0.000 0.000 0.245 376 V C 2.234 178.349 176.094 0.034 0.000 1.045 376 V CA 1.689 64.022 62.300 0.056 0.000 1.024 376 V CB -0.339 31.506 31.823 0.038 0.000 0.651 376 V HN 0.423 nan 8.190 nan 0.000 0.449 377 I N -0.280 120.299 120.570 0.016 0.000 2.226 377 I HA -0.250 3.920 4.170 0.000 0.000 0.245 377 I C 2.600 178.723 176.117 0.010 0.000 1.100 377 I CA 1.733 63.036 61.300 0.005 0.000 1.374 377 I CB -0.327 37.665 38.000 -0.013 0.000 1.057 377 I HN 0.394 nan 8.210 nan 0.000 0.413 378 E N 0.473 120.683 120.200 0.017 0.000 2.204 378 E HA -0.265 4.085 4.350 0.000 0.000 0.194 378 E C 1.884 178.506 176.600 0.036 0.000 0.989 378 E CA 1.037 57.452 56.400 0.025 0.000 0.824 378 E CB 0.217 29.944 29.700 0.044 0.000 0.756 378 E HN 0.343 nan 8.360 nan 0.000 0.477 379 E N -0.363 119.863 120.200 0.044 0.000 2.250 379 E HA -0.043 4.307 4.350 0.000 0.000 0.192 379 E C 1.792 178.406 176.600 0.024 0.000 0.986 379 E CA 0.289 56.710 56.400 0.035 0.000 0.849 379 E CB 0.167 29.890 29.700 0.039 0.000 0.797 379 E HN 0.004 nan 8.360 nan 0.000 0.482 380 V N 0.660 120.587 119.914 0.021 0.000 2.594 380 V HA -0.201 3.919 4.120 0.000 0.000 0.253 380 V C 2.188 178.289 176.094 0.011 0.000 1.069 380 V CA 1.687 63.996 62.300 0.015 0.000 1.082 380 V CB -0.548 31.283 31.823 0.013 0.000 0.680 380 V HN 0.465 nan 8.190 nan 0.000 0.469 381 A N -0.383 122.443 122.820 0.011 0.000 1.897 381 A HA -0.143 4.177 4.320 0.000 0.000 0.215 381 A C 2.345 179.933 177.584 0.006 0.000 1.181 381 A CA 1.225 53.266 52.037 0.005 0.000 0.620 381 A CB -0.424 18.578 19.000 0.003 0.000 0.821 381 A HN 0.452 nan 8.150 nan 0.000 0.443 382 R N -0.514 119.992 120.500 0.010 0.000 2.148 382 R HA -0.044 4.296 4.340 0.000 0.000 0.227 382 R C 2.295 178.600 176.300 0.008 0.000 1.103 382 R CA 0.951 57.057 56.100 0.009 0.000 0.983 382 R CB -0.301 30.007 30.300 0.013 0.000 0.874 382 R HN 0.532 nan 8.270 nan 0.000 0.451 383 A N 0.344 123.169 122.820 0.010 0.000 1.897 383 A HA -0.062 4.258 4.320 0.000 0.000 0.215 383 A C 2.210 179.798 177.584 0.007 0.000 1.181 383 A CA 0.905 52.947 52.037 0.010 0.000 0.620 383 A CB -0.248 18.759 19.000 0.013 0.000 0.821 383 A HN 0.103 nan 8.150 nan 0.000 0.443 384 V N 0.652 120.569 119.914 0.005 0.000 2.515 384 V HA -0.205 3.915 4.120 0.000 0.000 0.250 384 V C 1.970 178.064 176.094 0.000 0.000 1.058 384 V CA 2.127 64.429 62.300 0.002 0.000 1.064 384 V CB -0.669 31.154 31.823 0.000 0.000 0.675 384 V HN 0.485 nan 8.190 nan 0.000 0.461 385 D N -0.159 120.241 120.400 0.000 0.000 2.183 385 D HA -0.124 4.516 4.640 0.000 0.000 0.203 385 D C 1.808 178.107 176.300 -0.001 0.000 0.969 385 D CA 1.064 55.063 54.000 -0.002 0.000 0.842 385 D CB -0.032 40.767 40.800 -0.001 0.000 0.957 385 D HN 0.423 nan 8.370 nan 0.000 0.484 386 D N 0.404 120.805 120.400 0.001 0.000 2.137 386 D HA -0.014 4.626 4.640 0.000 0.000 0.202 386 D C 2.037 178.338 176.300 0.002 0.000 0.970 386 D CA 0.834 54.835 54.000 0.001 0.000 0.837 386 D CB -0.188 40.614 40.800 0.003 0.000 0.981 386 D HN 0.059 nan 8.370 nan 0.000 0.475 387 A N 0.852 123.674 122.820 0.003 0.000 1.841 387 A HA -0.185 4.135 4.320 0.000 0.000 0.216 387 A C 2.462 180.046 177.584 -0.000 0.000 1.199 387 A CA 1.763 53.801 52.037 0.003 0.000 0.621 387 A CB -1.043 17.959 19.000 0.004 0.000 0.835 387 A HN 0.133 nan 8.150 nan 0.000 0.445 388 V N 0.132 120.045 119.914 -0.002 0.000 2.660 388 V HA -0.234 3.886 4.120 0.000 0.000 0.257 388 V C 2.556 178.647 176.094 -0.005 0.000 1.088 388 V CA 1.891 64.188 62.300 -0.005 0.000 1.106 388 V CB -1.514 30.305 31.823 -0.007 0.000 0.686 388 V HN 0.682 nan 8.190 nan 0.000 0.481 389 G N 0.459 109.257 108.800 -0.003 0.000 2.425 389 G HA2 -0.145 3.815 3.960 0.000 0.000 0.213 389 G HA3 -0.145 3.815 3.960 0.000 0.000 0.213 389 G C 1.654 176.552 174.900 -0.003 0.000 1.201 389 G CA 1.136 46.234 45.100 -0.003 0.000 0.799 389 G HN 0.538 nan 8.290 nan 0.000 0.534 390 V N -0.867 119.046 119.914 -0.001 0.000 2.515 390 V HA -0.071 4.049 4.120 0.000 0.000 0.250 390 V C 2.660 178.754 176.094 -0.000 0.000 1.058 390 V CA 1.339 63.639 62.300 -0.001 0.000 1.064 390 V CB -0.725 31.098 31.823 0.001 0.000 0.675 390 V HN 0.124 nan 8.190 nan 0.000 0.461 391 V N 2.025 121.938 119.914 -0.001 0.000 2.270 391 V HA -0.072 4.048 4.120 0.000 0.000 0.245 391 V C 2.943 179.035 176.094 -0.003 0.000 1.043 391 V CA 2.374 64.673 62.300 -0.001 0.000 1.014 391 V CB -1.429 30.393 31.823 -0.002 0.000 0.645 391 V HN 0.610 nan 8.190 nan 0.000 0.447 392 G N -1.608 107.190 108.800 -0.004 0.000 2.475 392 G HA2 -0.309 3.651 3.960 0.000 0.000 0.220 392 G HA3 -0.309 3.651 3.960 0.000 0.000 0.220 392 G C 1.711 176.609 174.900 -0.003 0.000 1.125 392 G CA 1.364 46.462 45.100 -0.005 0.000 0.755 392 G HN 0.534 nan 8.290 nan 0.000 0.565 393 C N 0.341 119.640 119.300 -0.003 0.000 2.446 393 C HA 0.065 4.525 4.460 0.000 0.000 0.279 393 C C 3.188 178.178 174.990 -0.001 0.000 1.366 393 C CA 1.508 60.525 59.018 -0.002 0.000 1.763 393 C CB -0.786 26.953 27.740 -0.002 0.000 1.929 393 C HN 0.472 nan 8.230 nan 0.000 0.509 394 T N 1.048 115.601 114.554 -0.001 0.000 2.770 394 T HA -0.001 4.349 4.350 0.000 0.000 0.258 394 T C 1.694 176.394 174.700 -0.000 0.000 1.039 394 T CA 1.084 63.184 62.100 -0.000 0.000 1.143 394 T CB -0.240 68.628 68.868 0.001 0.000 0.866 394 T HN 0.403 nan 8.240 nan 0.000 0.428 395 I N 1.315 121.885 120.570 -0.001 0.000 2.113 395 I HA -0.299 3.871 4.170 0.000 0.000 0.242 395 I C 2.764 178.881 176.117 -0.001 0.000 1.057 395 I CA 1.710 63.009 61.300 -0.001 0.000 1.314 395 I CB -0.439 37.560 38.000 -0.002 0.000 1.022 395 I HN 0.362 nan 8.210 nan 0.000 0.408 396 E N 0.411 120.610 120.200 -0.001 0.000 2.031 396 E HA -0.224 4.126 4.350 0.000 0.000 0.193 396 E C 1.843 178.443 176.600 -0.001 0.000 0.994 396 E CA 1.582 57.982 56.400 -0.001 0.000 0.800 396 E CB -0.051 29.648 29.700 -0.002 0.000 0.752 396 E HN 0.465 nan 8.360 nan 0.000 0.447 397 D N -1.530 118.869 120.400 -0.001 0.000 2.084 397 D HA -0.056 4.584 4.640 0.000 0.000 0.199 397 D C 1.508 177.808 176.300 -0.000 0.000 0.981 397 D CA 1.705 55.705 54.000 -0.001 0.000 0.841 397 D CB -0.136 40.663 40.800 -0.001 0.000 0.997 397 D HN 0.385 nan 8.370 nan 0.000 0.454 398 G N -0.112 108.688 108.800 0.000 0.000 2.234 398 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 398 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 398 G C 0.444 175.345 174.900 0.001 0.000 0.997 398 G CA 0.100 45.200 45.100 0.001 0.000 0.623 398 G HN 0.337 nan 8.290 nan 0.000 0.514 399 R N 0.432 120.932 120.500 0.001 0.000 2.604 399 R HA 0.824 5.164 4.340 0.000 0.000 0.287 399 R C 0.365 176.666 176.300 0.001 0.000 0.970 399 R CA -0.250 55.850 56.100 0.001 0.000 0.946 399 R CB 1.710 32.010 30.300 0.000 0.000 1.127 399 R HN 0.642 nan 8.270 nan 0.000 0.473 400 I N -1.509 119.063 120.570 0.003 0.000 3.191 400 I HA 0.748 4.918 4.170 0.000 0.000 0.313 400 I C -0.803 175.317 176.117 0.005 0.000 1.193 400 I CA -1.140 60.162 61.300 0.004 0.000 0.968 400 I CB 2.270 40.273 38.000 0.004 0.000 1.262 400 I HN 0.506 nan 8.210 nan 0.000 0.456 401 V N 0.365 120.282 119.914 0.006 0.000 3.119 401 V HA 0.774 4.894 4.120 0.000 0.000 0.311 401 V C -0.308 175.792 176.094 0.011 0.000 1.259 401 V CA -0.243 62.063 62.300 0.009 0.000 1.067 401 V CB 1.434 33.261 31.823 0.008 0.000 1.123 401 V HN 1.016 nan 8.190 nan 0.000 0.463 402 S N 0.489 116.199 115.700 0.016 0.000 2.429 402 S HA 0.778 5.248 4.470 0.000 0.000 0.302 402 S C 0.423 175.031 174.600 0.014 0.000 1.115 402 S CA 0.044 58.255 58.200 0.018 0.000 1.095 402 S CB 0.623 63.840 63.200 0.029 0.000 0.987 402 S HN 1.746 nan 8.310 nan 0.000 0.474 403 G N 1.550 110.354 108.800 0.007 0.000 2.481 403 G HA2 0.455 4.415 3.960 0.000 0.000 0.251 403 G HA3 0.455 4.415 3.960 0.000 0.000 0.251 403 G C 1.094 175.990 174.900 -0.008 0.000 1.492 403 G CA -0.359 44.738 45.100 -0.003 0.000 1.060 403 G HN 2.081 nan 8.290 nan 0.000 0.553 404 G N -2.436 106.349 108.800 -0.025 0.000 2.168 404 G HA2 0.222 4.182 3.960 0.000 0.000 0.263 404 G HA3 0.222 4.182 3.960 0.000 0.000 0.263 404 G C 1.523 176.402 174.900 -0.034 0.000 0.977 404 G CA 1.145 46.221 45.100 -0.039 0.000 0.659 404 G HN 2.517 nan 8.290 nan 0.000 0.533 405 G N -1.368 107.414 108.800 -0.030 0.000 2.143 405 G HA2 -0.099 3.861 3.960 0.000 0.000 0.249 405 G HA3 -0.099 3.861 3.960 0.000 0.000 0.249 405 G C 1.309 176.190 174.900 -0.032 0.000 0.981 405 G CA 1.627 46.705 45.100 -0.036 0.000 0.665 405 G HN 1.731 nan 8.290 nan 0.000 0.528 406 S N 0.030 115.727 115.700 -0.004 0.000 2.349 406 S HA -0.104 4.366 4.470 0.000 0.000 0.216 406 S C 2.676 177.264 174.600 -0.021 0.000 1.033 406 S CA 2.764 60.985 58.200 0.035 0.000 1.021 406 S CB -0.500 62.745 63.200 0.075 0.000 0.968 406 S HN 1.363 nan 8.310 nan 0.000 0.426 407 T N -0.935 113.615 114.554 -0.006 0.000 3.228 407 T HA 0.149 4.499 4.350 0.000 0.000 0.261 407 T C 1.084 175.750 174.700 -0.056 0.000 1.171 407 T CA 0.878 62.965 62.100 -0.021 0.000 1.056 407 T CB -0.232 68.636 68.868 -0.000 0.000 0.938 407 T HN 0.339 nan 8.240 nan 0.000 0.539 408 E N 0.448 120.602 120.200 -0.076 0.000 2.166 408 E HA 0.146 4.497 4.350 0.000 0.000 0.192 408 E C 2.170 178.698 176.600 -0.119 0.000 0.967 408 E CA 0.232 56.585 56.400 -0.078 0.000 0.840 408 E CB -0.073 29.586 29.700 -0.068 0.000 0.795 408 E HN 0.322 nan 8.360 nan 0.000 0.470 409 V N 1.114 120.913 119.914 -0.192 0.000 2.358 409 V HA -0.218 3.902 4.120 0.000 0.000 0.246 409 V C 2.246 178.106 176.094 -0.391 0.000 1.047 409 V CA 1.883 64.013 62.300 -0.283 0.000 1.035 409 V CB -0.334 31.273 31.823 -0.360 0.000 0.658 409 V HN 0.223 nan 8.190 nan 0.000 0.452 410 E N 0.801 120.701 120.200 -0.499 0.000 2.005 410 E HA -0.256 4.094 4.350 0.000 0.000 0.198 410 E C 1.975 178.513 176.600 -0.104 0.000 1.010 410 E CA 1.641 57.883 56.400 -0.262 0.000 0.825 410 E CB -0.680 28.980 29.700 -0.067 0.000 0.769 410 E HN 0.291 nan 8.360 nan 0.000 0.456 411 L N 0.684 121.863 121.223 -0.072 0.000 2.357 411 L HA -0.151 4.189 4.340 0.000 0.000 0.220 411 L C 2.189 179.051 176.870 -0.012 0.000 1.123 411 L CA 2.286 57.108 54.840 -0.030 0.000 0.782 411 L CB -0.898 41.151 42.059 -0.017 0.000 0.910 411 L HN 0.379 nan 8.230 nan 0.000 0.442 412 S N -1.315 114.365 115.700 -0.033 0.000 2.456 412 S HA -0.103 4.367 4.470 0.000 0.000 0.224 412 S C 1.953 176.559 174.600 0.009 0.000 1.035 412 S CA 0.539 58.738 58.200 -0.001 0.000 0.940 412 S CB -0.266 62.920 63.200 -0.024 0.000 0.799 412 S HN 0.579 nan 8.310 nan 0.000 0.508 413 M N 0.647 120.239 119.600 -0.014 0.000 2.193 413 M HA 0.270 4.750 4.480 0.000 0.000 0.265 413 M C 1.953 178.274 176.300 0.034 0.000 1.071 413 M CA 1.039 56.346 55.300 0.012 0.000 1.140 413 M CB -0.426 32.180 32.600 0.010 0.000 1.369 413 M HN -0.074 nan 8.290 nan 0.000 0.423 414 K N 1.581 121.998 120.400 0.028 0.000 2.032 414 K HA -0.023 4.297 4.320 0.000 0.000 0.209 414 K C 2.151 178.791 176.600 0.066 0.000 1.048 414 K CA 1.467 57.780 56.287 0.043 0.000 0.927 414 K CB -0.984 31.531 32.500 0.024 0.000 0.712 414 K HN 0.499 nan 8.250 nan 0.000 0.441 415 L N 0.458 121.710 121.223 0.048 0.000 2.187 415 L HA -0.165 4.175 4.340 0.000 0.000 0.213 415 L C 2.743 179.696 176.870 0.138 0.000 1.100 415 L CA 1.021 55.903 54.840 0.071 0.000 0.765 415 L CB -0.240 41.849 42.059 0.049 0.000 0.904 415 L HN 0.223 nan 8.230 nan 0.000 0.437 416 R N 0.196 120.756 120.500 0.100 0.000 2.093 416 R HA -0.155 4.185 4.340 0.000 0.000 0.224 416 R C 2.248 178.599 176.300 0.085 0.000 1.101 416 R CA 1.393 57.547 56.100 0.091 0.000 0.979 416 R CB 0.084 30.422 30.300 0.062 0.000 0.877 416 R HN 0.564 nan 8.270 nan 0.000 0.441 417 E N -0.851 119.400 120.200 0.084 0.000 2.076 417 E HA -0.248 4.102 4.350 0.000 0.000 0.190 417 E C 1.790 178.433 176.600 0.072 0.000 0.979 417 E CA 0.894 57.332 56.400 0.064 0.000 0.807 417 E CB -0.809 28.924 29.700 0.055 0.000 0.761 417 E HN 0.454 nan 8.360 nan 0.000 0.454 418 Y N 1.965 122.265 120.300 -0.000 0.000 2.365 418 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 418 Y C 2.257 178.154 175.900 -0.005 0.000 1.162 418 Y CA 1.391 59.486 58.100 -0.008 0.000 1.260 418 Y CB -0.212 38.236 38.460 -0.020 0.000 0.976 418 Y HN 0.179 nan 8.280 nan 0.000 0.548 419 A N 0.231 123.081 122.820 0.050 0.000 2.014 419 A HA -0.102 4.218 4.320 0.000 0.000 0.218 419 A C 2.020 179.558 177.584 -0.076 0.000 1.163 419 A CA 1.417 53.458 52.037 0.007 0.000 0.652 419 A CB -0.439 18.615 19.000 0.091 0.000 0.808 419 A HN 0.664 nan 8.150 nan 0.000 0.449 420 E N -0.324 119.836 120.200 -0.068 0.000 2.158 420 E HA -0.047 4.303 4.350 0.000 0.000 0.191 420 E C 1.663 178.199 176.600 -0.107 0.000 0.982 420 E CA 0.545 56.907 56.400 -0.063 0.000 0.823 420 E CB -0.316 29.364 29.700 -0.034 0.000 0.766 420 E HN 0.541 nan 8.360 nan 0.000 0.468 421 G N 1.729 110.426 108.800 -0.172 0.000 3.186 421 G HA2 0.052 4.012 3.960 0.000 0.000 0.214 421 G HA3 0.052 4.012 3.960 0.000 0.000 0.214 421 G C 0.359 175.115 174.900 -0.240 0.000 1.222 421 G CA 0.020 45.000 45.100 -0.199 0.000 0.921 421 G HN 0.059 nan 8.290 nan 0.000 0.504 422 I N 1.474 121.926 120.570 -0.196 0.000 2.418 422 I HA 0.232 4.402 4.170 0.000 0.000 0.287 422 I C -0.171 175.897 176.117 -0.082 0.000 1.008 422 I CA -0.724 60.483 61.300 -0.155 0.000 1.104 422 I CB 2.049 39.960 38.000 -0.150 0.000 1.264 422 I HN 0.047 nan 8.210 nan 0.000 0.438 423 S N 4.263 119.925 115.700 -0.063 0.000 2.525 423 S HA 0.915 5.385 4.470 0.000 0.000 0.278 423 S C 0.204 174.788 174.600 -0.028 0.000 1.234 423 S CA -0.180 57.996 58.200 -0.040 0.000 1.058 423 S CB 1.845 65.024 63.200 -0.035 0.000 0.983 423 S HN 1.232 nan 8.310 nan 0.000 0.495 424 G N 2.111 110.900 108.800 -0.019 0.000 2.525 424 G HA2 -0.118 3.842 3.960 0.000 0.000 0.685 424 G HA3 -0.118 3.842 3.960 0.000 0.000 0.685 424 G C 0.055 174.951 174.900 -0.005 0.000 1.290 424 G CA -0.416 44.676 45.100 -0.012 0.000 0.915 424 G HN 0.675 nan 8.290 nan 0.000 0.548 425 R N 0.636 121.135 120.500 -0.001 0.000 2.096 425 R HA -0.023 4.317 4.340 0.000 0.000 0.235 425 R C 2.594 178.900 176.300 0.010 0.000 1.127 425 R CA 2.104 58.207 56.100 0.005 0.000 0.968 425 R CB -0.355 29.949 30.300 0.007 0.000 0.861 425 R HN 0.819 nan 8.270 nan 0.000 0.440 426 E N 0.658 120.863 120.200 0.008 0.000 2.394 426 E HA -0.318 4.032 4.350 0.000 0.000 0.202 426 E C 1.762 178.385 176.600 0.038 0.000 1.029 426 E CA 1.143 57.554 56.400 0.020 0.000 0.855 426 E CB -0.234 29.477 29.700 0.018 0.000 0.770 426 E HN 0.437 nan 8.360 nan 0.000 0.527 427 Q N 1.010 120.825 119.800 0.024 0.000 2.050 427 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 427 Q C 2.293 178.328 176.000 0.058 0.000 0.980 427 Q CA 1.443 57.265 55.803 0.031 0.000 0.840 427 Q CB -0.069 28.673 28.738 0.006 0.000 0.898 427 Q HN 0.474 nan 8.270 nan 0.000 0.424 428 L N 0.373 121.624 121.223 0.047 0.000 2.043 428 L HA -0.248 4.092 4.340 0.000 0.000 0.212 428 L C 2.638 179.565 176.870 0.094 0.000 1.075 428 L CA 1.207 56.082 54.840 0.057 0.000 0.752 428 L CB -0.841 41.239 42.059 0.034 0.000 0.891 428 L HN 0.276 nan 8.230 nan 0.000 0.432 429 A N -0.052 122.820 122.820 0.086 0.000 1.873 429 A HA -0.201 4.120 4.320 0.000 0.000 0.218 429 A C 2.353 180.125 177.584 0.313 0.000 1.193 429 A CA 2.284 54.403 52.037 0.137 0.000 0.629 429 A CB -1.053 17.977 19.000 0.048 0.000 0.826 429 A HN 0.194 nan 8.150 nan 0.000 0.447 430 V N 0.003 120.058 119.914 0.235 0.000 2.407 430 V HA -0.272 3.848 4.120 0.000 0.000 0.248 430 V C 2.670 178.906 176.094 0.238 0.000 1.055 430 V CA 2.266 64.713 62.300 0.244 0.000 1.049 430 V CB -0.850 31.092 31.823 0.199 0.000 0.662 430 V HN 0.521 nan 8.190 nan 0.000 0.455 431 R N 0.091 120.699 120.500 0.180 0.000 2.075 431 R HA -0.072 4.269 4.340 0.000 0.000 0.232 431 R C 2.473 178.871 176.300 0.164 0.000 1.126 431 R CA 1.379 57.566 56.100 0.146 0.000 0.963 431 R CB -0.611 29.747 30.300 0.097 0.000 0.858 431 R HN 0.519 nan 8.270 nan 0.000 0.435 432 A N 0.872 123.811 122.820 0.198 0.000 1.940 432 A HA -0.203 4.117 4.320 0.000 0.000 0.219 432 A C 1.974 179.678 177.584 0.199 0.000 1.176 432 A CA 1.183 53.341 52.037 0.201 0.000 0.631 432 A CB -0.665 18.490 19.000 0.258 0.000 0.814 432 A HN 0.394 nan 8.150 nan 0.000 0.446 433 F N 0.473 120.493 119.950 0.118 0.000 2.234 433 F HA 0.001 4.528 4.527 0.000 0.000 0.299 433 F C 2.442 178.201 175.800 -0.069 0.000 1.087 433 F CA 1.068 59.011 58.000 -0.096 0.000 1.340 433 F CB -0.032 38.898 39.000 -0.117 0.000 1.031 433 F HN 0.268 nan 8.300 nan 0.000 0.500 434 A N -0.093 122.906 122.820 0.299 0.000 1.897 434 A HA -0.150 4.170 4.320 0.000 0.000 0.215 434 A C 1.825 179.447 177.584 0.064 0.000 1.181 434 A CA 1.798 53.948 52.037 0.190 0.000 0.620 434 A CB -0.838 18.251 19.000 0.149 0.000 0.821 434 A HN 0.366 nan 8.150 nan 0.000 0.443 435 D N 0.223 120.650 120.400 0.045 0.000 2.219 435 D HA 0.009 4.649 4.640 0.000 0.000 0.205 435 D C 2.152 178.425 176.300 -0.046 0.000 0.970 435 D CA 1.208 55.210 54.000 0.004 0.000 0.851 435 D CB -0.359 40.453 40.800 0.020 0.000 0.943 435 D HN 0.412 nan 8.370 nan 0.000 0.488 436 A N 0.984 123.745 122.820 -0.099 0.000 1.865 436 A HA -0.169 4.151 4.320 0.000 0.000 0.217 436 A C 2.261 179.737 177.584 -0.180 0.000 1.191 436 A CA 1.081 53.005 52.037 -0.189 0.000 0.623 436 A CB -0.918 17.847 19.000 -0.391 0.000 0.826 436 A HN 0.266 nan 8.150 nan 0.000 0.444 437 L N -0.638 120.479 121.223 -0.177 0.000 2.349 437 L HA -0.160 4.180 4.340 0.000 0.000 0.220 437 L C 1.963 178.778 176.870 -0.092 0.000 1.130 437 L CA 1.098 55.857 54.840 -0.134 0.000 0.791 437 L CB -0.656 41.356 42.059 -0.078 0.000 0.918 437 L HN 0.475 nan 8.230 nan 0.000 0.444 438 E N -0.337 119.817 120.200 -0.077 0.000 2.512 438 E HA -0.099 4.251 4.350 0.000 0.000 0.195 438 E C 1.938 178.502 176.600 -0.061 0.000 1.083 438 E CA -0.022 56.340 56.400 -0.062 0.000 0.873 438 E CB 0.269 29.941 29.700 -0.047 0.000 0.897 438 E HN 0.252 nan 8.360 nan 0.000 0.514 439 V N 0.718 120.588 119.914 -0.072 0.000 2.871 439 V HA -0.153 3.967 4.120 0.000 0.000 0.256 439 V C 1.637 177.695 176.094 -0.060 0.000 1.082 439 V CA 0.809 63.069 62.300 -0.066 0.000 1.105 439 V CB -0.052 31.725 31.823 -0.077 0.000 0.713 439 V HN 0.283 nan 8.190 nan 0.000 0.473 440 I N 0.922 121.454 120.570 -0.064 0.000 2.277 440 I HA -0.004 4.166 4.170 0.000 0.000 0.243 440 I C 0.009 176.095 176.117 -0.052 0.000 1.094 440 I CA 1.240 62.506 61.300 -0.057 0.000 1.393 440 I CB -2.672 35.294 38.000 -0.058 0.000 1.078 440 I HN 0.338 nan 8.210 nan 0.000 0.417 441 P HA -0.122 nan 4.420 nan 0.000 0.217 441 P C 1.871 179.145 177.300 -0.043 0.000 1.150 441 P CA 1.431 64.503 63.100 -0.047 0.000 0.832 441 P CB -0.052 31.620 31.700 -0.046 0.000 0.787 442 R N -0.272 120.203 120.500 -0.042 0.000 2.070 442 R HA -0.118 4.222 4.340 0.000 0.000 0.233 442 R C 2.364 178.642 176.300 -0.036 0.000 1.137 442 R CA 2.468 58.546 56.100 -0.036 0.000 0.945 442 R CB -1.190 29.089 30.300 -0.035 0.000 0.845 442 R HN 0.218 nan 8.270 nan 0.000 0.430 443 T N -0.988 113.542 114.554 -0.039 0.000 2.915 443 T HA -0.050 4.300 4.350 0.000 0.000 0.269 443 T C 1.926 176.602 174.700 -0.040 0.000 1.071 443 T CA 1.038 63.116 62.100 -0.037 0.000 1.132 443 T CB -0.237 68.608 68.868 -0.037 0.000 0.878 443 T HN 0.214 nan 8.240 nan 0.000 0.479 444 L N 0.804 121.999 121.223 -0.047 0.000 2.083 444 L HA 0.025 4.365 4.340 0.000 0.000 0.209 444 L C 3.352 180.187 176.870 -0.058 0.000 1.083 444 L CA 1.263 56.069 54.840 -0.056 0.000 0.752 444 L CB -0.811 41.208 42.059 -0.066 0.000 0.899 444 L HN 0.415 nan 8.230 nan 0.000 0.433 445 A N -0.140 122.651 122.820 -0.049 0.000 1.873 445 A HA -0.215 4.105 4.320 0.000 0.000 0.215 445 A C 2.159 179.723 177.584 -0.033 0.000 1.186 445 A CA 1.538 53.549 52.037 -0.042 0.000 0.616 445 A CB -0.443 18.537 19.000 -0.033 0.000 0.823 445 A HN 0.398 nan 8.150 nan 0.000 0.442 446 E N 0.033 120.215 120.200 -0.029 0.000 2.021 446 E HA -0.243 4.107 4.350 0.000 0.000 0.200 446 E C 1.864 178.453 176.600 -0.019 0.000 1.015 446 E CA 1.555 57.942 56.400 -0.022 0.000 0.824 446 E CB -0.245 29.442 29.700 -0.022 0.000 0.762 446 E HN 0.584 nan 8.360 nan 0.000 0.454 447 N N 0.447 119.134 118.700 -0.022 0.000 2.205 447 N HA -0.159 4.581 4.740 0.000 0.000 0.186 447 N C 1.519 177.021 175.510 -0.013 0.000 1.015 447 N CA 1.257 54.297 53.050 -0.017 0.000 0.862 447 N CB -0.420 38.056 38.487 -0.019 0.000 0.986 447 N HN 0.164 nan 8.380 nan 0.000 0.429 448 A N -0.282 122.524 122.820 -0.024 0.000 2.067 448 A HA 0.270 4.590 4.320 0.000 0.000 0.219 448 A C 1.787 179.369 177.584 -0.003 0.000 1.158 448 A CA 1.656 53.682 52.037 -0.018 0.000 0.661 448 A CB -0.415 18.557 19.000 -0.048 0.000 0.801 448 A HN 0.407 nan 8.150 nan 0.000 0.452 449 G N -2.563 106.232 108.800 -0.008 0.000 2.201 449 G HA2 -0.152 3.808 3.960 0.000 0.000 0.212 449 G HA3 -0.152 3.808 3.960 0.000 0.000 0.212 449 G C 0.094 174.991 174.900 -0.004 0.000 0.994 449 G CA 0.073 45.171 45.100 -0.002 0.000 0.644 449 G HN 0.395 nan 8.290 nan 0.000 0.508 450 L N 1.199 122.417 121.223 -0.009 0.000 2.476 450 L HA 0.521 4.861 4.340 0.000 0.000 0.255 450 L C 0.761 177.625 176.870 -0.010 0.000 1.218 450 L CA -0.151 54.684 54.840 -0.009 0.000 0.819 450 L CB 0.378 42.429 42.059 -0.014 0.000 1.119 450 L HN 0.174 nan 8.230 nan 0.000 0.485 451 D N 0.223 120.618 120.400 -0.007 0.000 2.359 451 D HA 0.262 4.902 4.640 0.000 0.000 0.250 451 D C 0.868 177.163 176.300 -0.010 0.000 1.264 451 D CA 0.277 54.273 54.000 -0.007 0.000 0.911 451 D CB 1.175 41.972 40.800 -0.004 0.000 1.056 451 D HN 0.580 nan 8.370 nan 0.000 0.499 452 A N 4.768 127.581 122.820 -0.012 0.000 1.917 452 A HA -0.208 4.113 4.320 0.000 0.000 0.219 452 A C 2.194 179.771 177.584 -0.012 0.000 1.182 452 A CA 1.268 53.296 52.037 -0.015 0.000 0.633 452 A CB -0.563 18.427 19.000 -0.018 0.000 0.819 452 A HN 0.766 nan 8.150 nan 0.000 0.448 453 I N -1.081 119.484 120.570 -0.009 0.000 2.252 453 I HA -0.203 3.967 4.170 0.000 0.000 0.245 453 I C 2.542 178.656 176.117 -0.004 0.000 1.102 453 I CA 1.799 63.095 61.300 -0.007 0.000 1.385 453 I CB -0.571 37.426 38.000 -0.005 0.000 1.064 453 I HN 0.454 nan 8.210 nan 0.000 0.414 454 E N 2.164 122.362 120.200 -0.003 0.000 2.007 454 E HA -0.184 4.166 4.350 0.000 0.000 0.194 454 E C 2.209 178.809 176.600 0.001 0.000 0.999 454 E CA 1.518 57.918 56.400 -0.000 0.000 0.811 454 E CB -0.267 29.433 29.700 0.000 0.000 0.762 454 E HN 0.320 nan 8.360 nan 0.000 0.450 455 I N 0.418 120.986 120.570 -0.002 0.000 2.300 455 I HA -0.276 3.894 4.170 0.000 0.000 0.252 455 I C 2.249 178.366 176.117 0.001 0.000 1.119 455 I CA 0.821 62.120 61.300 -0.002 0.000 1.384 455 I CB -0.375 37.619 38.000 -0.010 0.000 1.062 455 I HN 0.270 nan 8.210 nan 0.000 0.426 456 L N 0.165 121.386 121.223 -0.003 0.000 2.156 456 L HA -0.116 4.224 4.340 0.000 0.000 0.208 456 L C 2.324 179.198 176.870 0.007 0.000 1.095 456 L CA 1.428 56.266 54.840 -0.003 0.000 0.770 456 L CB -0.319 41.734 42.059 -0.010 0.000 0.914 456 L HN -0.032 nan 8.230 nan 0.000 0.439 457 V N -0.849 119.070 119.914 0.008 0.000 2.323 457 V HA -0.248 3.872 4.120 0.000 0.000 0.244 457 V C 2.470 178.578 176.094 0.022 0.000 1.041 457 V CA 1.528 63.836 62.300 0.014 0.000 1.025 457 V CB -0.731 31.098 31.823 0.010 0.000 0.656 457 V HN 0.387 nan 8.190 nan 0.000 0.451 458 K N 0.389 120.801 120.400 0.019 0.000 2.001 458 K HA -0.164 4.156 4.320 0.000 0.000 0.214 458 K C 2.081 178.706 176.600 0.042 0.000 1.050 458 K CA 1.778 58.079 56.287 0.023 0.000 0.934 458 K CB -0.669 31.840 32.500 0.016 0.000 0.718 458 K HN 0.373 nan 8.250 nan 0.000 0.443 459 V N 1.244 121.189 119.914 0.051 0.000 2.720 459 V HA -0.192 3.928 4.120 0.000 0.000 0.256 459 V C 2.227 178.418 176.094 0.162 0.000 1.082 459 V CA 1.475 63.836 62.300 0.102 0.000 1.101 459 V CB -0.591 31.277 31.823 0.074 0.000 0.693 459 V HN 0.286 nan 8.190 nan 0.000 0.479 460 R N -0.464 120.089 120.500 0.088 0.000 2.210 460 R HA 0.118 4.458 4.340 0.000 0.000 0.203 460 R C 2.280 178.638 176.300 0.095 0.000 1.010 460 R CA 0.941 57.090 56.100 0.081 0.000 1.008 460 R CB -0.144 30.176 30.300 0.033 0.000 0.923 460 R HN 0.507 nan 8.270 nan 0.000 0.469 461 A N 0.556 123.418 122.820 0.070 0.000 1.897 461 A HA 0.025 4.345 4.320 0.000 0.000 0.215 461 A C 2.046 179.656 177.584 0.044 0.000 1.181 461 A CA 1.272 53.338 52.037 0.049 0.000 0.620 461 A CB -0.385 18.632 19.000 0.029 0.000 0.821 461 A HN 0.355 nan 8.150 nan 0.000 0.443 462 A N -1.668 121.175 122.820 0.038 0.000 2.264 462 A HA -0.031 4.289 4.320 0.000 0.000 0.207 462 A C 1.320 178.813 177.584 -0.152 0.000 1.196 462 A CA 0.739 52.750 52.037 -0.043 0.000 0.778 462 A CB -0.715 18.249 19.000 -0.060 0.000 0.779 462 A HN 0.647 nan 8.150 nan 0.000 0.483 463 H N -1.269 117.803 119.070 0.003 0.000 2.674 463 H HA 0.322 4.878 4.556 0.000 0.000 0.274 463 H C 0.782 176.114 175.328 0.007 0.000 1.121 463 H CA 0.457 56.508 56.048 0.004 0.000 1.132 463 H CB 0.447 30.212 29.762 0.005 0.000 1.606 463 H HN 0.435 nan 8.280 nan 0.000 0.558 464 A N 1.676 124.540 122.820 0.073 0.000 3.048 464 A HA 0.201 4.521 4.320 0.000 0.000 0.264 464 A C 1.395 179.000 177.584 0.036 0.000 1.796 464 A CA 0.612 52.681 52.037 0.054 0.000 1.445 464 A CB -0.735 18.287 19.000 0.036 0.000 1.074 464 A HN 0.544 nan 8.150 nan 0.000 0.621 465 S N 0.211 115.939 115.700 0.046 0.000 2.378 465 S HA -0.346 4.124 4.470 0.000 0.000 0.240 465 S C 0.963 175.574 174.600 0.018 0.000 1.229 465 S CA 1.535 59.755 58.200 0.033 0.000 1.607 465 S CB -2.370 60.846 63.200 0.027 0.000 2.074 465 S HN 0.980 nan 8.310 nan 0.000 0.620 466 N N 3.391 122.094 118.700 0.005 0.000 2.185 466 N HA 0.425 5.165 4.740 0.000 0.000 0.243 466 N C 1.272 176.767 175.510 -0.025 0.000 1.276 466 N CA 0.397 53.441 53.050 -0.009 0.000 0.941 466 N CB -1.142 37.336 38.487 -0.016 0.000 1.129 466 N HN 0.756 nan 8.380 nan 0.000 0.417 467 G N -0.936 107.834 108.800 -0.051 0.000 2.563 467 G HA2 0.113 4.073 3.960 0.000 0.000 0.283 467 G HA3 0.113 4.073 3.960 0.000 0.000 0.283 467 G C 0.341 175.131 174.900 -0.185 0.000 1.309 467 G CA -0.245 44.801 45.100 -0.091 0.000 1.022 467 G HN 0.462 nan 8.290 nan 0.000 0.501 468 N N -0.861 117.622 118.700 -0.361 0.000 2.397 468 N HA 0.005 4.745 4.740 0.000 0.000 0.190 468 N C 1.482 176.905 175.510 -0.144 0.000 1.099 468 N CA 0.796 53.708 53.050 -0.231 0.000 0.876 468 N CB 0.147 38.502 38.487 -0.220 0.000 1.143 468 N HN 0.796 nan 8.380 nan 0.000 0.468 469 K N -1.823 118.486 120.400 -0.152 0.000 3.572 469 K HA -0.213 4.107 4.320 0.000 0.000 0.306 469 K C -0.005 176.698 176.600 0.172 0.000 1.286 469 K CA 1.646 58.039 56.287 0.177 0.000 1.010 469 K CB -2.030 30.527 32.500 0.096 0.000 1.268 469 K HN 0.208 nan 8.250 nan 0.000 0.438 470 c N 0.953 119.579 118.600 0.044 0.000 3.512 470 c HA 0.584 5.154 4.570 0.000 0.000 0.276 470 c C 0.674 174.776 174.090 0.020 0.000 1.592 470 c CA -0.046 56.307 56.329 0.040 0.000 1.803 470 c CB 0.360 42.874 42.510 0.007 0.000 2.996 470 c HN 0.585 nan 8.230 nan 0.000 0.590 471 A N 0.977 123.780 122.820 -0.028 0.000 2.343 471 A HA 0.658 4.978 4.320 0.000 0.000 0.305 471 A C 0.455 178.128 177.584 0.148 0.000 1.308 471 A CA 0.416 52.438 52.037 -0.026 0.000 0.949 471 A CB -0.136 18.724 19.000 -0.234 0.000 1.148 471 A HN 0.584 nan 8.150 nan 0.000 0.545 472 G N 0.780 109.623 108.800 0.073 0.000 2.733 472 G HA2 0.540 4.500 3.960 0.000 0.000 0.288 472 G HA3 0.540 4.500 3.960 0.000 0.000 0.288 472 G C -1.153 173.756 174.900 0.015 0.000 1.373 472 G CA -0.754 44.381 45.100 0.059 0.000 0.895 472 G HN 0.985 nan 8.290 nan 0.000 0.479 473 L N 1.102 122.320 121.223 -0.007 0.000 2.315 473 L HA 0.432 4.772 4.340 0.000 0.000 0.283 473 L C -0.092 176.735 176.870 -0.072 0.000 1.089 473 L CA -0.943 53.877 54.840 -0.033 0.000 0.833 473 L CB 0.577 42.612 42.059 -0.040 0.000 1.170 473 L HN 0.408 nan 8.230 nan 0.000 0.442 474 N N 3.744 122.403 118.700 -0.069 0.000 2.408 474 N HA 0.075 4.815 4.740 0.000 0.000 0.257 474 N C 0.975 176.379 175.510 -0.177 0.000 1.064 474 N CA 0.088 53.064 53.050 -0.123 0.000 0.952 474 N CB 1.569 40.033 38.487 -0.038 0.000 1.093 474 N HN 0.660 nan 8.380 nan 0.000 0.490 475 V N 2.100 121.797 119.914 -0.362 0.000 3.305 475 V HA 0.013 4.133 4.120 0.000 0.000 0.269 475 V C 1.097 177.033 176.094 -0.263 0.000 1.157 475 V CA 1.026 63.124 62.300 -0.338 0.000 1.157 475 V CB -0.963 30.620 31.823 -0.399 0.000 0.772 475 V HN 0.348 nan 8.190 nan 0.000 0.498 476 F N 1.375 121.326 119.950 0.002 0.000 2.208 476 F HA 0.160 4.687 4.527 0.000 0.000 0.282 476 F C 2.677 178.478 175.800 0.002 0.000 1.071 476 F CA 1.128 59.129 58.000 0.002 0.000 1.228 476 F CB -1.742 37.259 39.000 0.001 0.000 1.088 476 F HN 0.013 nan 8.300 nan 0.000 0.512 477 T N -0.189 114.478 114.554 0.188 0.000 2.564 477 T HA -0.125 4.225 4.350 0.000 0.000 0.264 477 T C 2.043 176.778 174.700 0.058 0.000 1.100 477 T CA 2.595 64.751 62.100 0.095 0.000 1.171 477 T CB -1.224 67.678 68.868 0.058 0.000 0.863 477 T HN 0.629 nan 8.240 nan 0.000 0.430 478 G N 0.922 109.738 108.800 0.026 0.000 2.259 478 G HA2 0.061 4.021 3.960 0.000 0.000 0.217 478 G HA3 0.061 4.021 3.960 0.000 0.000 0.217 478 G C 0.124 175.025 174.900 0.002 0.000 1.001 478 G CA 0.116 45.222 45.100 0.010 0.000 0.627 478 G HN 1.075 nan 8.290 nan 0.000 0.501 479 A N -0.412 122.412 122.820 0.007 0.000 2.322 479 A HA 0.886 5.207 4.320 0.000 0.000 0.327 479 A C 0.251 177.836 177.584 0.001 0.000 1.134 479 A CA 0.204 52.243 52.037 0.004 0.000 0.831 479 A CB 1.829 20.834 19.000 0.009 0.000 1.288 479 A HN 1.689 nan 8.150 nan 0.000 0.472 480 V N 0.836 120.751 119.914 0.002 0.000 2.508 480 V HA 0.421 4.541 4.120 0.000 0.000 0.281 480 V C -0.074 176.021 176.094 0.002 0.000 1.041 480 V CA 0.413 62.715 62.300 0.003 0.000 1.016 480 V CB 0.196 32.025 31.823 0.011 0.000 0.984 480 V HN 0.946 nan 8.190 nan 0.000 0.478 481 E N 3.878 124.079 120.200 0.002 0.000 2.449 481 E HA 0.385 4.735 4.350 0.000 0.000 0.254 481 E C -1.341 175.258 176.600 -0.002 0.000 0.907 481 E CA -0.928 55.473 56.400 0.002 0.000 0.840 481 E CB 1.345 31.051 29.700 0.010 0.000 1.459 481 E HN 0.716 nan 8.360 nan 0.000 0.407 482 D N 1.372 121.771 120.400 -0.001 0.000 2.428 482 D HA 0.114 4.754 4.640 0.000 0.000 0.221 482 D C 0.726 177.029 176.300 0.005 0.000 1.123 482 D CA -0.140 53.857 54.000 -0.005 0.000 0.869 482 D CB 0.812 41.606 40.800 -0.011 0.000 1.032 482 D HN 0.329 nan 8.370 nan 0.000 0.506 483 M N 1.918 121.524 119.600 0.010 0.000 2.229 483 M HA -0.127 4.353 4.480 0.000 0.000 0.264 483 M C 2.249 178.558 176.300 0.015 0.000 1.063 483 M CA 0.663 55.971 55.300 0.014 0.000 1.114 483 M CB -0.850 31.760 32.600 0.016 0.000 1.387 483 M HN 0.510 nan 8.290 nan 0.000 0.420 484 c N 0.545 119.152 118.600 0.012 0.000 2.422 484 c HA -0.144 4.426 4.570 0.000 0.000 0.279 484 c C 2.543 176.639 174.090 0.011 0.000 1.305 484 c CA 0.930 57.266 56.329 0.011 0.000 1.757 484 c CB -0.950 41.565 42.510 0.009 0.000 1.962 484 c HN 0.565 nan 8.230 nan 0.000 0.499 485 E N 0.344 120.550 120.200 0.010 0.000 2.250 485 E HA -0.046 4.304 4.350 0.000 0.000 0.192 485 E C 1.293 177.903 176.600 0.017 0.000 0.986 485 E CA 0.477 56.883 56.400 0.011 0.000 0.849 485 E CB -0.080 29.624 29.700 0.007 0.000 0.797 485 E HN 0.578 nan 8.360 nan 0.000 0.482 486 N N 0.079 118.792 118.700 0.021 0.000 2.521 486 N HA 0.015 4.755 4.740 0.000 0.000 0.188 486 N C 0.597 176.129 175.510 0.035 0.000 1.146 486 N CA 0.896 53.965 53.050 0.032 0.000 0.893 486 N CB 0.740 39.251 38.487 0.040 0.000 0.975 486 N HN 0.222 nan 8.380 nan 0.000 0.451 487 G N -0.386 108.430 108.800 0.026 0.000 2.182 487 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 487 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 487 G C -0.400 174.517 174.900 0.028 0.000 1.042 487 G CA 0.047 45.163 45.100 0.026 0.000 0.775 487 G HN 0.184 nan 8.290 nan 0.000 0.501 488 V N 1.128 121.057 119.914 0.025 0.000 2.259 488 V HA 0.589 4.709 4.120 0.000 0.000 0.267 488 V C 0.615 176.717 176.094 0.014 0.000 1.051 488 V CA -0.073 62.239 62.300 0.021 0.000 0.830 488 V CB 1.001 32.832 31.823 0.015 0.000 1.080 488 V HN 1.029 nan 8.190 nan 0.000 0.467 489 V N 1.833 121.755 119.914 0.014 0.000 2.962 489 V HA 0.819 4.939 4.120 0.000 0.000 0.313 489 V C -0.836 175.263 176.094 0.007 0.000 1.099 489 V CA -0.877 61.429 62.300 0.010 0.000 0.971 489 V CB 2.522 34.352 31.823 0.011 0.000 1.028 489 V HN 0.692 nan 8.190 nan 0.000 0.430 490 E N 2.411 122.614 120.200 0.005 0.000 2.290 490 E HA 0.522 4.872 4.350 0.000 0.000 0.274 490 E C -2.976 173.625 176.600 0.001 0.000 0.889 490 E CA -1.943 54.458 56.400 0.002 0.000 0.760 490 E CB 2.879 32.579 29.700 -0.001 0.000 1.206 490 E HN 0.589 nan 8.360 nan 0.000 0.419 491 P HA -0.138 nan 4.420 nan 0.000 0.269 491 P C 0.346 177.645 177.300 -0.001 0.000 1.200 491 P CA -0.059 63.041 63.100 -0.000 0.000 0.779 491 P CB 0.583 32.283 31.700 -0.001 0.000 0.841 492 L N 2.675 123.898 121.223 -0.001 0.000 2.156 492 L HA -0.026 4.314 4.340 0.000 0.000 0.208 492 L C 2.277 179.145 176.870 -0.004 0.000 1.095 492 L CA 1.594 56.433 54.840 -0.002 0.000 0.770 492 L CB -0.736 41.322 42.059 -0.002 0.000 0.914 492 L HN 0.244 nan 8.230 nan 0.000 0.439 493 R N -1.078 119.420 120.500 -0.003 0.000 2.200 493 R HA -0.137 4.203 4.340 0.000 0.000 0.234 493 R C 2.000 178.298 176.300 -0.005 0.000 1.127 493 R CA 1.438 57.536 56.100 -0.004 0.000 0.989 493 R CB -0.186 30.112 30.300 -0.003 0.000 0.869 493 R HN 0.355 nan 8.270 nan 0.000 0.459 494 V N 1.016 120.927 119.914 -0.005 0.000 2.358 494 V HA -0.228 3.892 4.120 0.000 0.000 0.246 494 V C 2.073 178.161 176.094 -0.009 0.000 1.047 494 V CA 1.705 64.001 62.300 -0.007 0.000 1.035 494 V CB -0.217 31.602 31.823 -0.007 0.000 0.658 494 V HN 0.289 nan 8.190 nan 0.000 0.452 495 K N 0.076 120.471 120.400 -0.008 0.000 2.262 495 K HA 0.005 4.325 4.320 0.000 0.000 0.200 495 K C 2.220 178.817 176.600 -0.004 0.000 1.049 495 K CA 1.402 57.683 56.287 -0.009 0.000 0.979 495 K CB -0.378 32.117 32.500 -0.009 0.000 0.773 495 K HN 0.697 nan 8.250 nan 0.000 0.474 496 T N -0.370 114.182 114.554 -0.004 0.000 2.698 496 T HA -0.176 4.174 4.350 0.000 0.000 0.260 496 T C 2.172 176.873 174.700 0.001 0.000 1.044 496 T CA 1.047 63.145 62.100 -0.002 0.000 1.149 496 T CB -0.266 68.599 68.868 -0.005 0.000 0.864 496 T HN -0.007 nan 8.240 nan 0.000 0.419 497 Q N 2.091 121.889 119.800 -0.002 0.000 2.045 497 Q HA -0.021 4.319 4.340 0.000 0.000 0.206 497 Q C 2.452 178.451 176.000 -0.002 0.000 0.991 497 Q CA 2.400 58.202 55.803 -0.001 0.000 0.851 497 Q CB -1.119 27.617 28.738 -0.003 0.000 0.911 497 Q HN 0.682 nan 8.270 nan 0.000 0.418 498 A N 0.089 122.905 122.820 -0.006 0.000 1.865 498 A HA -0.171 4.149 4.320 0.000 0.000 0.217 498 A C 2.194 179.770 177.584 -0.013 0.000 1.191 498 A CA 1.702 53.731 52.037 -0.013 0.000 0.623 498 A CB -0.855 18.132 19.000 -0.021 0.000 0.826 498 A HN 0.507 nan 8.150 nan 0.000 0.444 499 I N -0.930 119.640 120.570 -0.000 0.000 2.361 499 I HA -0.260 3.910 4.170 0.000 0.000 0.251 499 I C 2.769 178.920 176.117 0.057 0.000 1.133 499 I CA 1.591 62.907 61.300 0.025 0.000 1.413 499 I CB -0.149 37.888 38.000 0.062 0.000 1.073 499 I HN 0.520 nan 8.210 nan 0.000 0.424 500 Q N 0.212 120.034 119.800 0.036 0.000 2.204 500 Q HA -0.120 4.220 4.340 0.000 0.000 0.198 500 Q C 2.310 178.329 176.000 0.031 0.000 0.946 500 Q CA 1.479 57.306 55.803 0.040 0.000 0.859 500 Q CB 0.198 28.949 28.738 0.022 0.000 0.946 500 Q HN 0.531 nan 8.270 nan 0.000 0.474 501 S N 0.046 115.755 115.700 0.016 0.000 2.447 501 S HA -0.028 4.442 4.470 0.000 0.000 0.233 501 S C 1.929 176.533 174.600 0.006 0.000 1.006 501 S CA 0.739 58.945 58.200 0.011 0.000 0.957 501 S CB -0.104 63.098 63.200 0.004 0.000 0.773 501 S HN 0.415 nan 8.310 nan 0.000 0.507 502 A N 1.689 124.504 122.820 -0.008 0.000 1.968 502 A HA 0.479 4.799 4.320 0.000 0.000 0.217 502 A C 2.393 179.964 177.584 -0.023 0.000 1.169 502 A CA 1.191 53.206 52.037 -0.036 0.000 0.638 502 A CB -1.081 17.870 19.000 -0.082 0.000 0.812 502 A HN 0.659 nan 8.150 nan 0.000 0.446 503 A N -0.042 122.795 122.820 0.029 0.000 1.854 503 A HA -0.092 4.228 4.320 0.000 0.000 0.214 503 A C 1.933 179.577 177.584 0.100 0.000 1.192 503 A CA 1.379 53.477 52.037 0.101 0.000 0.611 503 A CB -0.490 18.631 19.000 0.202 0.000 0.832 503 A HN 0.545 nan 8.150 nan 0.000 0.442 504 E N 0.309 120.551 120.200 0.071 0.000 2.077 504 E HA -0.179 4.171 4.350 0.000 0.000 0.193 504 E C 2.457 179.092 176.600 0.059 0.000 0.989 504 E CA 1.675 58.112 56.400 0.063 0.000 0.800 504 E CB -0.224 29.502 29.700 0.042 0.000 0.746 504 E HN 0.765 nan 8.360 nan 0.000 0.452 505 S N 0.780 116.506 115.700 0.045 0.000 2.357 505 S HA -0.150 4.320 4.470 0.000 0.000 0.221 505 S C 2.354 176.985 174.600 0.052 0.000 1.031 505 S CA 1.750 59.973 58.200 0.039 0.000 0.982 505 S CB -0.778 62.435 63.200 0.022 0.000 0.853 505 S HN 0.359 nan 8.310 nan 0.000 0.458 506 T N -0.016 114.573 114.554 0.058 0.000 2.881 506 T HA -0.034 4.316 4.350 0.000 0.000 0.270 506 T C 1.603 176.383 174.700 0.133 0.000 1.068 506 T CA 1.385 63.536 62.100 0.085 0.000 1.131 506 T CB -0.670 68.250 68.868 0.086 0.000 0.871 506 T HN 0.599 nan 8.240 nan 0.000 0.479 507 E N 1.133 121.424 120.200 0.152 0.000 2.051 507 E HA -0.124 4.226 4.350 0.000 0.000 0.192 507 E C 2.277 178.933 176.600 0.093 0.000 0.991 507 E CA 1.730 58.221 56.400 0.152 0.000 0.799 507 E CB -0.331 29.458 29.700 0.148 0.000 0.748 507 E HN 0.788 nan 8.360 nan 0.000 0.449 508 M N 0.163 119.807 119.600 0.074 0.000 2.229 508 M HA -0.102 4.378 4.480 0.000 0.000 0.264 508 M C 1.882 178.213 176.300 0.051 0.000 1.063 508 M CA 1.452 56.785 55.300 0.056 0.000 1.114 508 M CB -0.077 32.550 32.600 0.046 0.000 1.387 508 M HN 0.046 nan 8.290 nan 0.000 0.420 509 L N 0.749 122.005 121.223 0.054 0.000 2.056 509 L HA -0.122 4.218 4.340 0.000 0.000 0.207 509 L C 2.428 179.324 176.870 0.043 0.000 1.078 509 L CA 1.177 56.045 54.840 0.047 0.000 0.749 509 L CB -0.539 41.544 42.059 0.041 0.000 0.901 509 L HN 0.440 nan 8.230 nan 0.000 0.433 510 L N -0.822 120.429 121.223 0.047 0.000 2.362 510 L HA -0.150 4.190 4.340 0.000 0.000 0.219 510 L C 2.420 179.304 176.870 0.023 0.000 1.134 510 L CA 0.766 55.623 54.840 0.029 0.000 0.807 510 L CB -0.419 41.653 42.059 0.021 0.000 0.927 510 L HN 0.192 nan 8.230 nan 0.000 0.447 511 R N -0.203 120.319 120.500 0.036 0.000 2.307 511 R HA 0.129 4.469 4.340 0.000 0.000 0.199 511 R C 0.379 176.698 176.300 0.033 0.000 1.000 511 R CA 0.203 56.327 56.100 0.039 0.000 1.023 511 R CB 0.057 30.384 30.300 0.045 0.000 0.908 511 R HN 0.259 nan 8.270 nan 0.000 0.473 512 I N 1.838 122.427 120.570 0.032 0.000 2.371 512 I HA -0.031 4.139 4.170 0.000 0.000 0.290 512 I C 0.594 176.728 176.117 0.028 0.000 1.028 512 I CA 0.035 61.355 61.300 0.033 0.000 1.345 512 I CB 1.302 39.328 38.000 0.044 0.000 1.407 512 I HN 0.097 nan 8.210 nan 0.000 0.501 513 D N 3.062 123.477 120.400 0.025 0.000 2.502 513 D HA 0.094 4.734 4.640 0.000 0.000 0.232 513 D C -0.046 176.274 176.300 0.033 0.000 1.137 513 D CA 0.032 54.044 54.000 0.020 0.000 0.827 513 D CB 0.463 41.264 40.800 0.001 0.000 1.141 513 D HN 0.273 nan 8.370 nan 0.000 0.517 514 D N 0.346 120.767 120.400 0.034 0.000 2.780 514 D HA 0.443 5.083 4.640 0.000 0.000 0.242 514 D C -1.072 175.244 176.300 0.028 0.000 1.135 514 D CA -0.575 53.444 54.000 0.032 0.000 0.859 514 D CB 2.809 43.617 40.800 0.014 0.000 1.530 514 D HN -0.174 nan 8.370 nan 0.000 0.493 515 V N 3.191 123.115 119.914 0.017 0.000 2.864 515 V HA 0.581 4.701 4.120 0.000 0.000 0.314 515 V C 0.163 176.191 176.094 -0.109 0.000 1.073 515 V CA -0.771 61.516 62.300 -0.021 0.000 0.956 515 V CB 2.163 33.998 31.823 0.019 0.000 1.023 515 V HN 0.493 nan 8.190 nan 0.000 0.435 516 I N 2.760 123.264 120.570 -0.109 0.000 2.698 516 I HA 0.534 4.704 4.170 0.000 0.000 0.276 516 I C 0.238 176.273 176.117 -0.137 0.000 1.166 516 I CA -0.243 60.979 61.300 -0.130 0.000 1.101 516 I CB 1.222 39.176 38.000 -0.078 0.000 1.305 516 I HN 0.699 nan 8.210 nan 0.000 0.526 517 A N 3.801 126.498 122.820 -0.205 0.000 2.301 517 A HA 0.884 5.204 4.320 0.000 0.000 0.298 517 A C 0.177 177.683 177.584 -0.130 0.000 1.185 517 A CA -0.142 51.795 52.037 -0.166 0.000 0.830 517 A CB 0.765 19.640 19.000 -0.208 0.000 1.112 517 A HN 0.650 nan 8.150 nan 0.000 0.508 518 A N 1.558 124.327 122.820 -0.086 0.000 2.312 518 A HA 0.842 5.162 4.320 0.000 0.000 0.310 518 A C 0.348 177.903 177.584 -0.049 0.000 1.139 518 A CA -0.045 51.954 52.037 -0.064 0.000 0.886 518 A CB 0.438 19.409 19.000 -0.049 0.000 1.350 518 A HN 1.227 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 519 E CB 0.000 29.686 29.700 -0.022 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440