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 1p5g_1_X DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGMVPTP VLYYAANVLE GKSGVMLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA MAKPMKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLMLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVMWKTGH DATA SEQUENCE SLIKKKMKET GALLAGEMSG HVFFKERWFG FDDGIYSAAR LLEILSQDQR DATA SEQUENCE DSEHVFSAFP SDISTPEINI TVTEDSKFAI IEALQRDAQW GEGNITTLDG DATA SEQUENCE VRVDYPKGWG LVRASNTTPV LVLRFEADTE EELERIKTVF RNQLKAVDSS DATA SEQUENCE LPVPF 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.958 176.870 0.147 0.000 1.165 9 L CA 0.000 54.919 54.840 0.131 0.000 0.813 9 L CB 0.000 42.207 42.059 0.247 0.000 0.961 10 P HA 0.209 nan 4.420 nan 0.000 0.271 10 P C 0.341 177.785 177.300 0.239 0.000 1.220 10 P CA -0.312 62.871 63.100 0.139 0.000 0.768 10 P CB 1.606 33.362 31.700 0.093 0.000 0.848 11 A N 3.160 126.091 122.820 0.185 0.000 2.015 11 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 11 A C 2.150 179.898 177.584 0.272 0.000 1.163 11 A CA 1.662 53.837 52.037 0.230 0.000 0.646 11 A CB -1.157 17.903 19.000 0.100 0.000 0.806 11 A HN 0.664 nan 8.150 nan 0.000 0.448 12 S N 0.698 116.498 115.700 0.166 0.000 2.442 12 S HA -0.139 4.330 4.470 -0.001 0.000 0.236 12 S C 1.744 176.402 174.600 0.096 0.000 1.007 12 S CA 1.140 59.412 58.200 0.118 0.000 0.965 12 S CB -0.928 62.317 63.200 0.075 0.000 0.773 12 S HN 0.870 nan 8.310 nan 0.000 0.504 13 I N -2.859 117.749 120.570 0.064 0.000 2.928 13 I HA 0.305 4.474 4.170 -0.001 0.000 0.266 13 I C -0.278 175.715 176.117 -0.207 0.000 1.234 13 I CA 0.050 61.293 61.300 -0.095 0.000 1.483 13 I CB -0.449 37.433 38.000 -0.196 0.000 1.097 13 I HN 0.016 nan 8.210 nan 0.000 0.455 14 F N 4.086 124.070 119.950 0.057 0.000 2.423 14 F HA 0.450 4.977 4.527 -0.001 0.000 0.356 14 F C 0.831 176.655 175.800 0.040 0.000 1.170 14 F CA -0.431 57.599 58.000 0.049 0.000 1.163 14 F CB 0.169 39.187 39.000 0.029 0.000 1.318 14 F HN -0.045 nan 8.300 nan 0.000 0.569 15 R N 1.146 121.723 120.500 0.128 0.000 2.705 15 R HA 0.700 5.040 4.340 -0.001 0.000 0.246 15 R C 1.135 177.454 176.300 0.031 0.000 1.142 15 R CA -0.495 55.641 56.100 0.059 0.000 1.114 15 R CB 0.472 30.777 30.300 0.009 0.000 1.256 15 R HN 0.526 nan 8.270 nan 0.000 0.536 16 A N 0.400 123.165 122.820 -0.092 0.000 1.902 16 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 16 A C 1.325 178.940 177.584 0.052 0.000 1.181 16 A CA 1.492 53.474 52.037 -0.092 0.000 0.623 16 A CB -0.479 18.371 19.000 -0.249 0.000 0.818 16 A HN 0.667 nan 8.150 nan 0.000 0.443 17 Y N -0.127 120.201 120.300 0.047 0.000 2.509 17 Y HA 0.303 4.852 4.550 -0.001 0.000 0.270 17 Y C 0.145 176.072 175.900 0.046 0.000 1.103 17 Y CA -0.464 57.615 58.100 -0.034 0.000 1.278 17 Y CB -0.031 38.395 38.460 -0.058 0.000 1.087 17 Y HN 0.628 nan 8.280 nan 0.000 0.542 18 D N -2.041 118.511 120.400 0.252 0.000 2.918 18 D HA 0.190 4.829 4.640 -0.001 0.000 0.342 18 D C -1.273 175.133 176.300 0.178 0.000 1.403 18 D CA -0.679 53.475 54.000 0.257 0.000 0.776 18 D CB 0.362 41.386 40.800 0.373 0.000 1.365 18 D HN -0.135 nan 8.370 nan 0.000 0.468 19 I N -0.575 120.098 120.570 0.173 0.000 2.392 19 I HA 0.675 4.844 4.170 -0.001 0.000 0.295 19 I C -0.342 175.845 176.117 0.116 0.000 0.985 19 I CA -0.637 60.706 61.300 0.071 0.000 1.221 19 I CB 1.450 39.462 38.000 0.020 0.000 1.366 19 I HN 0.363 nan 8.210 nan 0.000 0.467 20 R N 3.748 124.273 120.500 0.043 0.000 2.535 20 R HA 0.756 5.095 4.340 -0.001 0.000 0.274 20 R C -1.119 175.189 176.300 0.014 0.000 1.090 20 R CA -0.383 55.751 56.100 0.058 0.000 0.930 20 R CB 1.966 32.325 30.300 0.100 0.000 1.223 20 R HN 0.801 nan 8.270 nan 0.000 0.441 21 G N 0.768 109.559 108.800 -0.015 0.000 2.721 21 G HA2 0.488 4.448 3.960 -0.001 0.000 0.296 21 G HA3 0.488 4.448 3.960 -0.001 0.000 0.296 21 G C -1.747 173.012 174.900 -0.235 0.000 1.383 21 G CA -0.524 44.519 45.100 -0.095 0.000 0.788 21 G HN 0.366 nan 8.290 nan 0.000 0.500 22 V N 0.841 120.570 119.914 -0.308 0.000 2.370 22 V HA 0.390 4.510 4.120 -0.001 0.000 0.283 22 V C 0.376 176.356 176.094 -0.190 0.000 1.023 22 V CA -0.653 61.396 62.300 -0.419 0.000 0.857 22 V CB 1.221 32.736 31.823 -0.514 0.000 0.985 22 V HN 0.568 nan 8.190 nan 0.000 0.443 23 V N 4.962 124.795 119.914 -0.135 0.000 2.655 23 V HA 0.431 4.550 4.120 -0.001 0.000 0.300 23 V C 1.522 177.584 176.094 -0.053 0.000 1.044 23 V CA 1.482 63.742 62.300 -0.066 0.000 1.095 23 V CB 0.296 32.091 31.823 -0.047 0.000 0.952 23 V HN 1.266 nan 8.190 nan 0.000 0.485 24 G N 3.236 112.019 108.800 -0.029 0.000 2.241 24 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 24 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 24 G C 0.394 175.283 174.900 -0.019 0.000 0.998 24 G CA 0.680 45.769 45.100 -0.019 0.000 0.621 24 G HN 0.775 nan 8.290 nan 0.000 0.519 25 D N -0.686 119.692 120.400 -0.036 0.000 3.051 25 D HA 0.153 4.792 4.640 -0.001 0.000 0.216 25 D C 2.486 178.773 176.300 -0.023 0.000 1.454 25 D CA 2.224 56.204 54.000 -0.034 0.000 1.400 25 D CB -0.564 40.200 40.800 -0.061 0.000 0.975 25 D HN 0.389 nan 8.370 nan 0.000 0.212 26 T N -0.977 113.552 114.554 -0.043 0.000 3.100 26 T HA 0.215 4.564 4.350 -0.001 0.000 0.253 26 T C 0.466 175.166 174.700 0.001 0.000 1.118 26 T CA -0.109 61.981 62.100 -0.017 0.000 1.058 26 T CB 0.247 69.097 68.868 -0.030 0.000 0.953 26 T HN 0.077 nan 8.240 nan 0.000 0.515 27 L N 2.920 124.139 121.223 -0.007 0.000 2.372 27 L HA 0.623 4.963 4.340 -0.001 0.000 0.273 27 L C -0.271 176.624 176.870 0.043 0.000 0.989 27 L CA -0.366 54.494 54.840 0.033 0.000 0.841 27 L CB 1.624 43.694 42.059 0.017 0.000 1.225 27 L HN 0.371 nan 8.230 nan 0.000 0.414 28 T N 1.116 115.718 114.554 0.079 0.000 2.927 28 T HA 0.733 5.083 4.350 -0.001 0.000 0.286 28 T C 1.172 175.935 174.700 0.105 0.000 1.040 28 T CA -0.166 61.980 62.100 0.075 0.000 1.010 28 T CB 1.427 70.341 68.868 0.076 0.000 1.177 28 T HN 0.607 nan 8.240 nan 0.000 0.546 29 A N 0.445 123.314 122.820 0.082 0.000 1.892 29 A HA 0.016 4.335 4.320 -0.001 0.000 0.218 29 A C 2.559 180.217 177.584 0.123 0.000 1.188 29 A CA 2.611 54.701 52.037 0.088 0.000 0.631 29 A CB -1.879 17.151 19.000 0.050 0.000 0.822 29 A HN 1.225 nan 8.150 nan 0.000 0.447 30 E N -1.208 119.071 120.200 0.132 0.000 2.110 30 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 30 E C 2.022 178.816 176.600 0.323 0.000 0.988 30 E CA 1.892 58.409 56.400 0.194 0.000 0.804 30 E CB -1.609 28.221 29.700 0.217 0.000 0.745 30 E HN 0.617 nan 8.360 nan 0.000 0.458 31 T N 0.016 114.734 114.554 0.273 0.000 2.746 31 T HA 0.068 4.417 4.350 -0.001 0.000 0.267 31 T C 2.367 177.202 174.700 0.225 0.000 1.039 31 T CA 1.524 63.793 62.100 0.280 0.000 1.142 31 T CB -0.430 68.557 68.868 0.199 0.000 0.866 31 T HN 0.603 nan 8.240 nan 0.000 0.444 32 A N 0.436 123.392 122.820 0.227 0.000 1.933 32 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 32 A C 2.050 179.690 177.584 0.093 0.000 1.175 32 A CA 1.672 53.855 52.037 0.244 0.000 0.628 32 A CB -1.010 18.193 19.000 0.337 0.000 0.814 32 A HN 0.637 nan 8.150 nan 0.000 0.444 33 Y N -1.089 119.186 120.300 -0.042 0.000 2.097 33 Y HA -0.265 4.284 4.550 -0.001 0.000 0.282 33 Y C 2.111 177.849 175.900 -0.270 0.000 1.152 33 Y CA 2.040 60.006 58.100 -0.224 0.000 1.136 33 Y CB -0.515 37.698 38.460 -0.411 0.000 0.975 33 Y HN 0.442 nan 8.280 nan 0.000 0.498 34 W N 0.130 121.457 121.300 0.045 0.000 2.402 34 W HA -0.105 4.555 4.660 -0.001 0.000 0.286 34 W C 2.302 178.747 176.519 -0.123 0.000 1.221 34 W CA 1.015 58.337 57.345 -0.038 0.000 1.257 34 W CB -0.302 29.219 29.460 0.102 0.000 1.120 34 W HN 0.045 nan 8.180 nan 0.000 0.551 35 I N 0.205 120.797 120.570 0.038 0.000 2.226 35 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 35 I C 2.706 178.699 176.117 -0.207 0.000 1.100 35 I CA 1.610 62.822 61.300 -0.148 0.000 1.374 35 I CB -1.080 36.607 38.000 -0.523 0.000 1.057 35 I HN 0.077 nan 8.210 nan 0.000 0.413 36 G N 0.566 109.219 108.800 -0.245 0.000 2.418 36 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.217 36 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.217 36 G C 1.777 176.535 174.900 -0.237 0.000 1.158 36 G CA 0.343 45.308 45.100 -0.226 0.000 0.771 36 G HN 0.149 nan 8.290 nan 0.000 0.545 37 R N 0.804 121.101 120.500 -0.339 0.000 2.091 37 R HA -0.031 4.308 4.340 -0.001 0.000 0.238 37 R C 2.950 179.213 176.300 -0.061 0.000 1.136 37 R CA 1.424 57.392 56.100 -0.220 0.000 0.959 37 R CB -1.158 29.045 30.300 -0.163 0.000 0.856 37 R HN 0.364 nan 8.270 nan 0.000 0.437 38 A N 0.898 123.709 122.820 -0.016 0.000 1.898 38 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 38 A C 2.356 179.932 177.584 -0.014 0.000 1.181 38 A CA 1.173 53.215 52.037 0.008 0.000 0.620 38 A CB -0.474 18.545 19.000 0.032 0.000 0.819 38 A HN 0.208 nan 8.150 nan 0.000 0.442 39 I N -0.294 120.254 120.570 -0.037 0.000 2.226 39 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 39 I C 2.687 178.789 176.117 -0.024 0.000 1.100 39 I CA 1.152 62.437 61.300 -0.026 0.000 1.374 39 I CB -0.585 37.395 38.000 -0.033 0.000 1.057 39 I HN 0.392 nan 8.210 nan 0.000 0.413 40 G N -0.079 108.695 108.800 -0.044 0.000 2.422 40 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 40 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 40 G C 1.753 176.639 174.900 -0.024 0.000 1.146 40 G CA 0.914 45.992 45.100 -0.038 0.000 0.769 40 G HN 0.363 nan 8.290 nan 0.000 0.547 41 S N 0.552 116.241 115.700 -0.019 0.000 2.356 41 S HA -0.099 4.370 4.470 -0.001 0.000 0.223 41 S C 2.172 176.769 174.600 -0.005 0.000 1.032 41 S CA 1.529 59.724 58.200 -0.007 0.000 1.005 41 S CB -0.191 63.011 63.200 0.003 0.000 0.867 41 S HN 0.482 nan 8.310 nan 0.000 0.449 42 E N 1.645 121.842 120.200 -0.004 0.000 2.106 42 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 42 E C 2.145 178.744 176.600 -0.001 0.000 0.984 42 E CA 1.284 57.684 56.400 -0.001 0.000 0.806 42 E CB -0.566 29.136 29.700 0.004 0.000 0.750 42 E HN 0.304 nan 8.360 nan 0.000 0.458 43 S N -0.734 114.964 115.700 -0.003 0.000 2.356 43 S HA -0.085 4.384 4.470 -0.001 0.000 0.223 43 S C 1.889 176.486 174.600 -0.005 0.000 1.032 43 S CA 1.215 59.413 58.200 -0.003 0.000 1.005 43 S CB -0.325 62.871 63.200 -0.005 0.000 0.867 43 S HN 0.356 nan 8.310 nan 0.000 0.449 44 L N 1.047 122.266 121.223 -0.007 0.000 2.083 44 L HA -0.066 4.274 4.340 -0.001 0.000 0.209 44 L C 2.836 179.703 176.870 -0.004 0.000 1.083 44 L CA 1.162 55.999 54.840 -0.006 0.000 0.752 44 L CB -0.609 41.447 42.059 -0.006 0.000 0.899 44 L HN 0.390 nan 8.230 nan 0.000 0.433 45 A N -0.055 122.763 122.820 -0.004 0.000 2.019 45 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 45 A C 2.182 179.763 177.584 -0.004 0.000 1.164 45 A CA 1.270 53.305 52.037 -0.003 0.000 0.644 45 A CB -0.381 18.616 19.000 -0.003 0.000 0.805 45 A HN 0.375 nan 8.150 nan 0.000 0.449 46 R N -1.396 119.102 120.500 -0.003 0.000 2.388 46 R HA 0.242 4.582 4.340 -0.001 0.000 0.247 46 R C 1.007 177.304 176.300 -0.005 0.000 0.931 46 R CA 0.464 56.562 56.100 -0.004 0.000 1.082 46 R CB -0.004 30.294 30.300 -0.002 0.000 1.135 46 R HN 0.638 nan 8.270 nan 0.000 0.525 47 G N 1.973 110.770 108.800 -0.005 0.000 2.137 47 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.237 47 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.237 47 G C -0.264 174.632 174.900 -0.007 0.000 1.002 47 G CA 0.223 45.319 45.100 -0.006 0.000 0.702 47 G HN 0.329 nan 8.290 nan 0.000 0.515 48 E N 0.424 120.620 120.200 -0.007 0.000 2.255 48 E HA 0.561 4.911 4.350 -0.001 0.000 0.245 48 E C -1.143 175.451 176.600 -0.010 0.000 0.909 48 E CA -2.314 54.080 56.400 -0.009 0.000 0.747 48 E CB 1.525 31.220 29.700 -0.009 0.000 1.215 48 E HN 0.117 nan 8.360 nan 0.000 0.424 49 P HA 0.059 nan 4.420 nan 0.000 0.236 49 P C -0.161 177.131 177.300 -0.014 0.000 1.177 49 P CA -0.012 63.081 63.100 -0.012 0.000 0.773 49 P CB 0.280 31.974 31.700 -0.010 0.000 0.878 50 C N 1.194 120.484 119.300 -0.015 0.000 2.285 50 C HA 0.500 4.959 4.460 -0.001 0.000 0.335 50 C C 0.271 175.250 174.990 -0.018 0.000 1.267 50 C CA -0.347 58.660 59.018 -0.018 0.000 1.762 50 C CB 0.451 28.178 27.740 -0.021 0.000 2.365 50 C HN 0.000 nan 8.230 nan 0.000 0.527 51 V N 3.573 123.477 119.914 -0.017 0.000 2.525 51 V HA 0.655 4.774 4.120 -0.001 0.000 0.299 51 V C 0.316 176.402 176.094 -0.015 0.000 1.034 51 V CA -0.421 61.871 62.300 -0.013 0.000 0.863 51 V CB 1.424 33.242 31.823 -0.009 0.000 0.999 51 V HN 1.014 nan 8.190 nan 0.000 0.423 52 A N 4.418 127.227 122.820 -0.018 0.000 2.340 52 A HA 0.829 5.148 4.320 -0.001 0.000 0.268 52 A C -0.457 177.120 177.584 -0.011 0.000 1.100 52 A CA -0.356 51.667 52.037 -0.023 0.000 0.803 52 A CB 1.000 19.976 19.000 -0.039 0.000 1.043 52 A HN 0.809 nan 8.150 nan 0.000 0.488 53 V N 1.346 121.251 119.914 -0.015 0.000 2.638 53 V HA 0.738 4.857 4.120 -0.001 0.000 0.306 53 V C 0.533 176.610 176.094 -0.028 0.000 1.052 53 V CA 0.089 62.385 62.300 -0.008 0.000 0.885 53 V CB 1.875 33.701 31.823 0.005 0.000 0.999 53 V HN 1.317 nan 8.190 nan 0.000 0.424 54 G N 3.670 112.444 108.800 -0.042 0.000 2.605 54 G HA2 0.863 4.823 3.960 -0.001 0.000 0.296 54 G HA3 0.863 4.823 3.960 -0.001 0.000 0.296 54 G C -1.161 173.695 174.900 -0.073 0.000 1.304 54 G CA -0.933 44.125 45.100 -0.069 0.000 0.941 54 G HN 0.861 nan 8.290 nan 0.000 0.475 55 R N -0.325 120.127 120.500 -0.081 0.000 2.808 55 R HA 0.648 4.988 4.340 -0.001 0.000 0.272 55 R C -1.011 175.237 176.300 -0.086 0.000 0.995 55 R CA -0.839 55.208 56.100 -0.088 0.000 0.917 55 R CB 1.759 32.014 30.300 -0.075 0.000 1.217 55 R HN 0.548 nan 8.270 nan 0.000 0.471 56 D N 0.750 121.101 120.400 -0.081 0.000 2.453 56 D HA 0.163 4.802 4.640 -0.001 0.000 0.282 56 D C 0.757 177.032 176.300 -0.041 0.000 1.222 56 D CA -0.376 53.590 54.000 -0.057 0.000 1.079 56 D CB -0.049 40.729 40.800 -0.037 0.000 1.128 56 D HN 0.679 nan 8.370 nan 0.000 0.568 57 G N -1.301 107.492 108.800 -0.012 0.000 3.383 57 G HA2 0.094 4.054 3.960 -0.001 0.000 0.251 57 G HA3 0.094 4.054 3.960 -0.001 0.000 0.251 57 G C 0.355 175.217 174.900 -0.063 0.000 1.203 57 G CA -0.457 44.630 45.100 -0.021 0.000 0.852 57 G HN 0.183 nan 8.290 nan 0.000 0.531 58 R N -0.437 120.022 120.500 -0.069 0.000 2.615 58 R HA 0.328 4.667 4.340 -0.001 0.000 0.270 58 R C 1.267 177.491 176.300 -0.127 0.000 1.081 58 R CA -0.559 55.465 56.100 -0.127 0.000 1.154 58 R CB 0.956 31.209 30.300 -0.077 0.000 1.063 58 R HN 0.090 nan 8.270 nan 0.000 0.519 59 L N 0.748 121.877 121.223 -0.156 0.000 2.083 59 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 59 L C 2.113 178.934 176.870 -0.082 0.000 1.083 59 L CA 1.565 56.333 54.840 -0.119 0.000 0.752 59 L CB -0.407 41.576 42.059 -0.126 0.000 0.899 59 L HN 0.727 nan 8.230 nan 0.000 0.433 60 S N -0.586 115.068 115.700 -0.077 0.000 2.562 60 S HA 0.034 4.503 4.470 -0.001 0.000 0.221 60 S C 2.005 176.567 174.600 -0.062 0.000 0.975 60 S CA 0.275 58.439 58.200 -0.060 0.000 0.918 60 S CB -0.308 62.858 63.200 -0.056 0.000 0.772 60 S HN 0.399 nan 8.310 nan 0.000 0.531 61 G N 3.431 112.188 108.800 -0.072 0.000 2.586 61 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 61 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 61 G C -0.647 174.221 174.900 -0.052 0.000 1.216 61 G CA 1.231 46.288 45.100 -0.071 0.000 0.786 61 G HN 0.513 nan 8.290 nan 0.000 0.583 62 P HA -0.090 nan 4.420 nan 0.000 0.214 62 P C 1.699 178.987 177.300 -0.020 0.000 1.163 62 P CA 1.615 64.698 63.100 -0.030 0.000 0.889 62 P CB -0.056 31.626 31.700 -0.030 0.000 0.790 63 E N -0.392 119.796 120.200 -0.020 0.000 2.038 63 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 63 E C 1.920 178.525 176.600 0.008 0.000 1.000 63 E CA 1.200 57.596 56.400 -0.007 0.000 0.803 63 E CB -0.501 29.194 29.700 -0.009 0.000 0.750 63 E HN 0.140 nan 8.360 nan 0.000 0.448 64 L N 0.177 121.401 121.223 0.002 0.000 2.179 64 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 64 L C 2.592 179.490 176.870 0.046 0.000 1.096 64 L CA 0.255 55.113 54.840 0.031 0.000 0.779 64 L CB -0.229 41.826 42.059 -0.007 0.000 0.922 64 L HN 0.117 nan 8.230 nan 0.000 0.443 65 V N 0.524 120.443 119.914 0.009 0.000 2.515 65 V HA -0.272 3.848 4.120 -0.001 0.000 0.250 65 V C 2.656 178.769 176.094 0.032 0.000 1.058 65 V CA 1.868 64.179 62.300 0.019 0.000 1.064 65 V CB -0.067 31.748 31.823 -0.013 0.000 0.675 65 V HN 0.396 nan 8.190 nan 0.000 0.461 66 K N -0.249 120.165 120.400 0.024 0.000 2.097 66 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 66 K C 2.108 178.736 176.600 0.047 0.000 1.049 66 K CA 1.650 57.952 56.287 0.024 0.000 0.933 66 K CB -0.280 32.228 32.500 0.013 0.000 0.717 66 K HN 0.413 nan 8.250 nan 0.000 0.442 67 Q N 0.166 120.007 119.800 0.069 0.000 2.083 67 Q HA -0.087 4.252 4.340 -0.001 0.000 0.198 67 Q C 2.094 178.151 176.000 0.096 0.000 0.969 67 Q CA 1.123 56.996 55.803 0.116 0.000 0.838 67 Q CB -0.557 28.257 28.738 0.126 0.000 0.900 67 Q HN 0.337 nan 8.270 nan 0.000 0.436 68 L N 0.667 121.947 121.223 0.095 0.000 2.012 68 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 68 L C 2.089 178.960 176.870 0.001 0.000 1.073 68 L CA 1.581 56.465 54.840 0.074 0.000 0.748 68 L CB -0.639 41.540 42.059 0.200 0.000 0.891 68 L HN 0.117 nan 8.230 nan 0.000 0.431 69 I N -0.845 119.737 120.570 0.020 0.000 2.226 69 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 69 I C 2.567 178.675 176.117 -0.014 0.000 1.100 69 I CA 1.438 62.738 61.300 -0.000 0.000 1.374 69 I CB -0.293 37.712 38.000 0.008 0.000 1.057 69 I HN 0.398 nan 8.210 nan 0.000 0.413 70 Q N 1.089 120.900 119.800 0.019 0.000 2.124 70 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 70 Q C 2.108 178.090 176.000 -0.030 0.000 0.977 70 Q CA 1.995 57.831 55.803 0.054 0.000 0.850 70 Q CB -0.600 28.225 28.738 0.146 0.000 0.901 70 Q HN 0.494 nan 8.270 nan 0.000 0.429 71 G N 0.224 108.858 108.800 -0.276 0.000 2.421 71 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 71 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 71 G C 1.310 175.997 174.900 -0.355 0.000 1.171 71 G CA 0.980 45.630 45.100 -0.751 0.000 0.775 71 G HN 0.382 nan 8.290 nan 0.000 0.543 72 L N 0.127 121.233 121.223 -0.196 0.000 2.017 72 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 72 L C 3.007 179.830 176.870 -0.078 0.000 1.073 72 L CA 0.511 55.284 54.840 -0.111 0.000 0.745 72 L CB -0.600 41.421 42.059 -0.064 0.000 0.894 72 L HN 0.080 nan 8.230 nan 0.000 0.432 73 V N -0.241 119.638 119.914 -0.059 0.000 2.332 73 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 73 V C 1.821 177.901 176.094 -0.024 0.000 1.055 73 V CA 1.916 64.198 62.300 -0.029 0.000 1.038 73 V CB -0.523 31.293 31.823 -0.011 0.000 0.651 73 V HN 0.437 nan 8.190 nan 0.000 0.450 74 D N -1.216 119.164 120.400 -0.034 0.000 2.371 74 D HA -0.075 4.565 4.640 -0.001 0.000 0.221 74 D C 1.819 178.106 176.300 -0.021 0.000 0.986 74 D CA 0.759 54.754 54.000 -0.009 0.000 0.899 74 D CB -0.235 40.588 40.800 0.037 0.000 0.902 74 D HN 0.468 nan 8.370 nan 0.000 0.530 75 C N -0.826 118.448 119.300 -0.044 0.000 2.563 75 C HA 0.336 4.795 4.460 -0.001 0.000 0.268 75 C C 1.888 176.871 174.990 -0.013 0.000 1.365 75 C CA 0.527 59.530 59.018 -0.026 0.000 1.754 75 C CB -0.536 27.180 27.740 -0.039 0.000 1.932 75 C HN 0.529 nan 8.230 nan 0.000 0.536 76 G N -0.626 108.165 108.800 -0.014 0.000 2.144 76 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 76 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 76 G C 0.029 174.922 174.900 -0.013 0.000 0.988 76 G CA -0.013 45.082 45.100 -0.009 0.000 0.659 76 G HN 0.480 nan 8.290 nan 0.000 0.522 77 C N 0.902 120.190 119.300 -0.019 0.000 2.604 77 C HA 0.546 5.006 4.460 -0.001 0.000 0.396 77 C C 0.894 175.874 174.990 -0.017 0.000 1.282 77 C CA -0.193 58.813 59.018 -0.019 0.000 2.292 77 C CB 0.837 28.562 27.740 -0.025 0.000 2.633 77 C HN 0.590 nan 8.230 nan 0.000 0.620 78 Q N 1.334 121.125 119.800 -0.015 0.000 2.390 78 Q HA 0.442 4.782 4.340 -0.001 0.000 0.249 78 Q C -0.773 175.218 176.000 -0.015 0.000 0.996 78 Q CA -0.213 55.582 55.803 -0.014 0.000 0.899 78 Q CB 0.940 29.670 28.738 -0.013 0.000 1.216 78 Q HN 0.553 nan 8.270 nan 0.000 0.465 79 V N 2.151 122.056 119.914 -0.015 0.000 2.509 79 V HA 0.199 4.319 4.120 -0.001 0.000 0.284 79 V C 0.091 176.176 176.094 -0.015 0.000 1.047 79 V CA -0.384 61.907 62.300 -0.015 0.000 0.952 79 V CB 1.707 33.522 31.823 -0.013 0.000 0.988 79 V HN 0.685 nan 8.190 nan 0.000 0.469 80 S N 3.117 118.807 115.700 -0.017 0.000 2.474 80 S HA 0.217 4.686 4.470 -0.001 0.000 0.320 80 S C -0.364 174.225 174.600 -0.019 0.000 1.067 80 S CA -0.473 57.716 58.200 -0.019 0.000 1.127 80 S CB 0.406 63.592 63.200 -0.024 0.000 0.971 80 S HN 0.849 nan 8.310 nan 0.000 0.472 81 D N 2.951 123.341 120.400 -0.016 0.000 2.365 81 D HA 0.139 4.779 4.640 -0.001 0.000 0.237 81 D C 1.013 177.301 176.300 -0.020 0.000 1.190 81 D CA -0.632 53.358 54.000 -0.017 0.000 0.867 81 D CB 0.925 41.717 40.800 -0.013 0.000 1.050 81 D HN 0.322 nan 8.370 nan 0.000 0.491 82 V N 2.159 122.057 119.914 -0.027 0.000 3.649 82 V HA 0.435 4.554 4.120 -0.001 0.000 0.275 82 V C 1.263 177.336 176.094 -0.035 0.000 1.281 82 V CA 0.571 62.854 62.300 -0.029 0.000 1.143 82 V CB -0.877 30.924 31.823 -0.037 0.000 0.892 82 V HN 0.718 nan 8.190 nan 0.000 0.441 83 G N 0.967 109.747 108.800 -0.034 0.000 2.528 83 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.262 83 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.262 83 G C -0.128 174.742 174.900 -0.048 0.000 1.200 83 G CA 0.328 45.407 45.100 -0.036 0.000 0.951 83 G HN 0.762 nan 8.290 nan 0.000 0.566 84 M N 1.353 120.925 119.600 -0.048 0.000 2.105 84 M HA 0.548 5.027 4.480 -0.001 0.000 0.350 84 M C 0.243 176.503 176.300 -0.068 0.000 1.308 84 M CA -0.496 54.770 55.300 -0.056 0.000 1.108 84 M CB 0.350 32.923 32.600 -0.045 0.000 1.622 84 M HN 1.393 nan 8.290 nan 0.000 0.468 85 V N 3.119 122.977 119.914 -0.093 0.000 3.188 85 V HA 0.774 4.893 4.120 -0.001 0.000 0.305 85 V C -2.994 173.009 176.094 -0.152 0.000 1.232 85 V CA -2.236 59.988 62.300 -0.126 0.000 1.043 85 V CB 1.463 33.194 31.823 -0.154 0.000 1.068 85 V HN 0.629 nan 8.190 nan 0.000 0.439 86 P HA 0.250 nan 4.420 nan 0.000 0.269 86 P C 0.996 178.138 177.300 -0.263 0.000 1.209 86 P CA 0.323 63.306 63.100 -0.195 0.000 0.776 86 P CB 0.536 32.115 31.700 -0.202 0.000 0.876 87 T N 3.945 118.337 114.554 -0.271 0.000 2.620 87 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 87 T C -0.761 173.534 174.700 -0.677 0.000 1.044 87 T CA 2.459 64.278 62.100 -0.468 0.000 1.161 87 T CB -1.811 66.814 68.868 -0.405 0.000 0.862 87 T HN 0.584 nan 8.240 nan 0.000 0.438 88 P HA 0.022 nan 4.420 nan 0.000 0.220 88 P C 1.538 178.658 177.300 -0.301 0.000 1.148 88 P CA 0.721 63.697 63.100 -0.206 0.000 0.803 88 P CB -0.258 31.643 31.700 0.334 0.000 0.782 89 V N 0.879 120.546 119.914 -0.413 0.000 2.427 89 V HA -0.164 3.956 4.120 -0.001 0.000 0.248 89 V C 2.629 178.572 176.094 -0.252 0.000 1.051 89 V CA 1.164 63.184 62.300 -0.468 0.000 1.048 89 V CB -1.160 30.300 31.823 -0.605 0.000 0.666 89 V HN 0.088 nan 8.190 nan 0.000 0.456 90 L N -0.238 120.800 121.223 -0.308 0.000 2.046 90 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 90 L C 2.434 179.182 176.870 -0.203 0.000 1.077 90 L CA 2.280 56.980 54.840 -0.233 0.000 0.747 90 L CB -0.922 40.989 42.059 -0.247 0.000 0.896 90 L HN 0.388 nan 8.230 nan 0.000 0.432 91 Y N -1.497 118.551 120.300 -0.420 0.000 2.224 91 Y HA -0.357 4.193 4.550 -0.001 0.000 0.289 91 Y C 2.671 178.131 175.900 -0.733 0.000 1.146 91 Y CA 1.267 58.964 58.100 -0.672 0.000 1.182 91 Y CB -0.516 37.236 38.460 -1.180 0.000 0.983 91 Y HN 0.233 nan 8.280 nan 0.000 0.524 92 Y N 0.790 120.714 120.300 -0.627 0.000 2.128 92 Y HA -0.320 4.229 4.550 -0.001 0.000 0.284 92 Y C 2.462 178.177 175.900 -0.308 0.000 1.154 92 Y CA 1.106 58.981 58.100 -0.376 0.000 1.149 92 Y CB -0.714 37.730 38.460 -0.027 0.000 0.976 92 Y HN 0.057 nan 8.280 nan 0.000 0.505 93 A N 0.689 123.398 122.820 -0.184 0.000 1.892 93 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 93 A C 2.340 179.781 177.584 -0.237 0.000 1.188 93 A CA 2.198 54.111 52.037 -0.205 0.000 0.631 93 A CB -1.592 17.355 19.000 -0.089 0.000 0.822 93 A HN 0.650 nan 8.150 nan 0.000 0.447 94 A N -0.982 121.726 122.820 -0.186 0.000 2.209 94 A HA -0.040 4.279 4.320 -0.001 0.000 0.212 94 A C 1.766 179.249 177.584 -0.169 0.000 1.158 94 A CA 1.147 53.104 52.037 -0.134 0.000 0.742 94 A CB -0.440 18.522 19.000 -0.064 0.000 0.790 94 A HN 0.634 nan 8.150 nan 0.000 0.472 95 N N -0.621 117.902 118.700 -0.296 0.000 2.414 95 N HA -0.017 4.722 4.740 -0.001 0.000 0.177 95 N C 1.570 176.858 175.510 -0.370 0.000 1.062 95 N CA 1.458 54.318 53.050 -0.316 0.000 0.890 95 N CB 0.613 38.821 38.487 -0.465 0.000 1.070 95 N HN 0.484 nan 8.380 nan 0.000 0.454 96 V N -1.321 118.280 119.914 -0.521 0.000 3.523 96 V HA 0.308 4.428 4.120 -0.001 0.000 0.255 96 V C 1.113 177.066 176.094 -0.235 0.000 1.226 96 V CA 0.065 62.110 62.300 -0.424 0.000 1.092 96 V CB -0.177 31.245 31.823 -0.668 0.000 0.817 96 V HN -0.080 nan 8.190 nan 0.000 0.458 97 L N 0.551 121.648 121.223 -0.210 0.000 2.476 97 L HA 0.484 4.824 4.340 -0.001 0.000 0.255 97 L C 2.423 179.240 176.870 -0.088 0.000 1.218 97 L CA 0.684 55.452 54.840 -0.120 0.000 0.819 97 L CB 0.100 42.099 42.059 -0.100 0.000 1.119 97 L HN 0.362 nan 8.230 nan 0.000 0.485 98 E N 1.337 121.503 120.200 -0.057 0.000 2.110 98 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 98 E C 1.040 177.616 176.600 -0.040 0.000 0.988 98 E CA 0.904 57.279 56.400 -0.041 0.000 0.804 98 E CB -0.721 28.962 29.700 -0.028 0.000 0.745 98 E HN 0.833 nan 8.360 nan 0.000 0.458 99 G N -0.135 108.639 108.800 -0.043 0.000 2.432 99 G HA2 0.404 4.363 3.960 -0.001 0.000 0.257 99 G HA3 0.404 4.363 3.960 -0.001 0.000 0.257 99 G C 0.374 175.246 174.900 -0.046 0.000 1.238 99 G CA -0.349 44.728 45.100 -0.038 0.000 0.838 99 G HN 0.100 nan 8.290 nan 0.000 0.547 100 K N 0.986 121.365 120.400 -0.035 0.000 2.414 100 K HA 0.213 4.532 4.320 -0.001 0.000 0.204 100 K C 0.415 177.002 176.600 -0.022 0.000 1.026 100 K CA -0.108 56.158 56.287 -0.035 0.000 1.108 100 K CB 0.877 33.362 32.500 -0.025 0.000 0.855 100 K HN 0.309 nan 8.250 nan 0.000 0.517 101 S N 0.081 115.771 115.700 -0.017 0.000 2.593 101 S HA 0.795 5.264 4.470 -0.001 0.000 0.297 101 S C 0.085 174.686 174.600 0.001 0.000 1.112 101 S CA -0.688 57.511 58.200 -0.002 0.000 1.043 101 S CB 2.107 65.308 63.200 0.001 0.000 1.054 101 S HN 0.359 nan 8.310 nan 0.000 0.516 102 G N 0.218 109.033 108.800 0.026 0.000 2.732 102 G HA2 0.561 4.520 3.960 -0.001 0.000 0.296 102 G HA3 0.561 4.520 3.960 -0.001 0.000 0.296 102 G C -1.942 173.004 174.900 0.077 0.000 1.448 102 G CA -0.457 44.665 45.100 0.037 0.000 0.911 102 G HN 0.632 nan 8.290 nan 0.000 0.528 103 V N 1.596 121.553 119.914 0.072 0.000 2.531 103 V HA 0.641 4.761 4.120 -0.001 0.000 0.301 103 V C -0.361 175.781 176.094 0.079 0.000 1.034 103 V CA -0.709 61.661 62.300 0.116 0.000 0.865 103 V CB 1.692 33.600 31.823 0.142 0.000 0.995 103 V HN 0.852 nan 8.190 nan 0.000 0.424 104 M N 5.650 125.296 119.600 0.076 0.000 2.149 104 M HA 0.570 5.049 4.480 -0.001 0.000 0.342 104 M C -1.063 175.215 176.300 -0.036 0.000 1.068 104 M CA -0.642 54.644 55.300 -0.023 0.000 0.991 104 M CB 1.212 33.743 32.600 -0.114 0.000 1.596 104 M HN 0.618 nan 8.290 nan 0.000 0.439 105 L N 5.638 126.797 121.223 -0.106 0.000 2.312 105 L HA 0.593 4.932 4.340 -0.001 0.000 0.287 105 L C -0.677 176.067 176.870 -0.211 0.000 1.091 105 L CA 0.768 55.450 54.840 -0.264 0.000 0.846 105 L CB 0.172 42.081 42.059 -0.249 0.000 1.219 105 L HN 0.859 nan 8.230 nan 0.000 0.439 106 T N 2.793 117.222 114.554 -0.207 0.000 2.932 106 T HA 0.746 5.096 4.350 -0.001 0.000 0.318 106 T C -0.202 174.448 174.700 -0.084 0.000 1.265 106 T CA -0.048 61.982 62.100 -0.117 0.000 1.036 106 T CB 1.080 69.901 68.868 -0.079 0.000 1.209 106 T HN 0.704 nan 8.240 nan 0.000 0.484 110 N N 2.988 121.451 118.700 -0.395 0.000 2.399 110 N HA 0.192 4.931 4.740 -0.001 0.000 0.250 110 N C -2.465 172.882 175.510 -0.271 0.000 1.272 110 N CA -1.038 51.754 53.050 -0.429 0.000 0.928 110 N CB 0.684 38.816 38.487 -0.592 0.000 1.158 110 N HN 0.090 nan 8.380 nan 0.000 0.463 111 P HA -0.006 nan 4.420 nan 0.000 0.270 111 P C -1.969 175.388 177.300 0.096 0.000 1.227 111 P CA -0.721 62.319 63.100 -0.099 0.000 0.788 111 P CB 0.004 31.743 31.700 0.065 0.000 0.926 112 P HA -0.204 nan 4.420 nan 0.000 0.217 112 P C 0.743 178.067 177.300 0.039 0.000 1.148 112 P CA 1.651 64.723 63.100 -0.048 0.000 0.828 112 P CB -0.317 31.297 31.700 -0.144 0.000 0.783 113 D N -3.211 117.291 120.400 0.170 0.000 2.349 113 D HA -0.092 4.548 4.640 -0.001 0.000 0.224 113 D C 0.160 176.536 176.300 0.126 0.000 1.029 113 D CA 0.269 54.344 54.000 0.124 0.000 0.879 113 D CB -0.475 40.386 40.800 0.102 0.000 0.906 113 D HN 0.166 nan 8.370 nan 0.000 0.528 114 Y N 0.678 120.970 120.300 -0.014 0.000 2.320 114 Y HA 0.445 4.994 4.550 -0.001 0.000 0.324 114 Y C 0.950 176.821 175.900 -0.049 0.000 1.190 114 Y CA -0.649 57.438 58.100 -0.021 0.000 1.215 114 Y CB 0.884 39.335 38.460 -0.015 0.000 1.221 114 Y HN -0.155 nan 8.280 nan 0.000 0.486 115 N N -0.678 118.046 118.700 0.040 0.000 3.344 115 N HA 0.722 5.461 4.740 -0.001 0.000 0.296 115 N C -0.754 174.687 175.510 -0.114 0.000 1.571 115 N CA 0.136 53.148 53.050 -0.063 0.000 0.844 115 N CB 2.158 40.565 38.487 -0.133 0.000 1.718 115 N HN 0.825 nan 8.380 nan 0.000 0.589 116 G N -0.733 107.881 108.800 -0.310 0.000 2.327 116 G HA2 0.432 4.391 3.960 -0.001 0.000 0.291 116 G HA3 0.432 4.391 3.960 -0.001 0.000 0.291 116 G C -2.268 172.284 174.900 -0.580 0.000 1.290 116 G CA -0.669 44.265 45.100 -0.276 0.000 0.857 116 G HN 0.254 nan 8.290 nan 0.000 0.520 117 F N 0.410 120.374 119.950 0.023 0.000 2.573 117 F HA 0.610 5.137 4.527 -0.001 0.000 0.316 117 F C 0.135 175.994 175.800 0.098 0.000 1.148 117 F CA -0.772 57.254 58.000 0.042 0.000 0.940 117 F CB 2.737 41.752 39.000 0.025 0.000 1.214 117 F HN 0.198 nan 8.300 nan 0.000 0.448 118 K N 4.410 124.971 120.400 0.269 0.000 2.235 118 K HA 0.774 5.093 4.320 -0.001 0.000 0.266 118 K C -1.119 175.662 176.600 0.301 0.000 0.980 118 K CA -0.527 55.947 56.287 0.312 0.000 0.849 118 K CB 2.204 34.885 32.500 0.301 0.000 1.098 118 K HN 0.543 nan 8.250 nan 0.000 0.445 119 I N 2.685 123.421 120.570 0.277 0.000 2.466 119 I HA 0.300 4.470 4.170 -0.001 0.000 0.289 119 I C -0.843 175.364 176.117 0.151 0.000 1.026 119 I CA -1.193 60.225 61.300 0.196 0.000 1.078 119 I CB 2.051 40.144 38.000 0.155 0.000 1.249 119 I HN 0.173 nan 8.210 nan 0.000 0.429 120 V N 6.830 126.814 119.914 0.116 0.000 2.448 120 V HA 0.494 4.613 4.120 -0.001 0.000 0.295 120 V C -0.312 175.808 176.094 0.043 0.000 1.025 120 V CA -0.680 61.657 62.300 0.062 0.000 0.859 120 V CB 2.143 33.988 31.823 0.037 0.000 0.988 120 V HN 0.420 nan 8.190 nan 0.000 0.431 121 V N 3.522 123.454 119.914 0.030 0.000 2.483 121 V HA 0.689 4.809 4.120 -0.001 0.000 0.297 121 V C 0.615 176.714 176.094 0.009 0.000 1.027 121 V CA -0.211 62.100 62.300 0.019 0.000 0.855 121 V CB 1.271 33.106 31.823 0.020 0.000 0.995 121 V HN 1.326 nan 8.190 nan 0.000 0.424 122 A N 3.936 126.757 122.820 0.002 0.000 2.640 122 A HA 0.047 4.366 4.320 -0.001 0.000 0.300 122 A C 1.795 179.378 177.584 -0.002 0.000 1.499 122 A CA 1.487 53.522 52.037 -0.003 0.000 0.759 122 A CB -1.478 17.520 19.000 -0.002 0.000 1.048 122 A HN 2.695 nan 8.150 nan 0.000 0.450 123 G N -1.827 106.971 108.800 -0.002 0.000 2.241 123 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 123 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 123 G C -0.019 174.883 174.900 0.003 0.000 0.998 123 G CA 1.093 46.194 45.100 0.000 0.000 0.621 123 G HN 1.746 nan 8.290 nan 0.000 0.519 124 E N 1.205 121.407 120.200 0.005 0.000 2.175 124 E HA 0.557 4.906 4.350 -0.001 0.000 0.278 124 E C -0.358 176.251 176.600 0.015 0.000 0.969 124 E CA -0.343 56.061 56.400 0.007 0.000 0.796 124 E CB 0.740 30.444 29.700 0.007 0.000 1.104 124 E HN 0.084 nan 8.360 nan 0.000 0.395 125 T N 5.187 119.749 114.554 0.013 0.000 2.761 125 T HA 0.212 4.562 4.350 -0.001 0.000 0.296 125 T C 0.370 175.098 174.700 0.047 0.000 0.934 125 T CA -0.372 61.748 62.100 0.033 0.000 1.091 125 T CB 0.102 68.987 68.868 0.027 0.000 0.896 125 T HN 0.377 nan 8.240 nan 0.000 0.515 126 L N 2.757 124.023 121.223 0.071 0.000 2.439 126 L HA 0.582 4.921 4.340 -0.001 0.000 0.269 126 L C 0.599 177.516 176.870 0.078 0.000 1.179 126 L CA -0.397 54.486 54.840 0.071 0.000 0.828 126 L CB 0.335 42.444 42.059 0.083 0.000 1.106 126 L HN 0.729 nan 8.230 nan 0.000 0.467 127 A N 1.945 124.807 122.820 0.070 0.000 2.609 127 A HA 0.596 4.915 4.320 -0.001 0.000 0.291 127 A C -0.138 177.488 177.584 0.070 0.000 1.096 127 A CA -0.593 51.494 52.037 0.083 0.000 0.684 127 A CB 1.455 20.504 19.000 0.081 0.000 1.282 127 A HN 0.767 nan 8.150 nan 0.000 0.412 128 N N -0.927 117.814 118.700 0.068 0.000 1.347 128 N HA -0.360 4.380 4.740 -0.001 0.000 0.141 128 N C 1.487 177.013 175.510 0.026 0.000 0.677 128 N CA 3.308 56.378 53.050 0.033 0.000 1.016 128 N CB -1.213 37.284 38.487 0.018 0.000 1.268 128 N HN 1.399 nan 8.380 nan 0.000 0.487 129 E N 1.091 121.296 120.200 0.009 0.000 2.209 129 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 129 E C 1.995 178.599 176.600 0.007 0.000 0.993 129 E CA 2.231 58.630 56.400 -0.002 0.000 0.819 129 E CB -0.721 28.973 29.700 -0.010 0.000 0.745 129 E HN 0.698 nan 8.360 nan 0.000 0.477 130 Q N -0.790 119.024 119.800 0.024 0.000 2.172 130 Q HA 0.100 4.439 4.340 -0.001 0.000 0.200 130 Q C 2.395 178.425 176.000 0.050 0.000 0.964 130 Q CA 1.288 57.109 55.803 0.030 0.000 0.855 130 Q CB -0.061 28.699 28.738 0.036 0.000 0.918 130 Q HN 0.633 nan 8.270 nan 0.000 0.444 131 I N 0.547 121.166 120.570 0.081 0.000 2.286 131 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 131 I C 2.211 178.401 176.117 0.122 0.000 1.104 131 I CA 0.693 62.082 61.300 0.149 0.000 1.397 131 I CB -0.172 37.942 38.000 0.190 0.000 1.072 131 I HN 0.198 nan 8.210 nan 0.000 0.417 132 Q N 0.777 120.602 119.800 0.042 0.000 2.181 132 Q HA -0.168 4.171 4.340 -0.001 0.000 0.205 132 Q C 2.426 178.351 176.000 -0.126 0.000 0.980 132 Q CA 1.755 57.516 55.803 -0.071 0.000 0.862 132 Q CB -0.501 28.207 28.738 -0.051 0.000 0.905 132 Q HN 0.565 nan 8.270 nan 0.000 0.429 133 A N 0.729 123.512 122.820 -0.061 0.000 1.972 133 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 133 A C 2.240 179.779 177.584 -0.075 0.000 1.169 133 A CA 0.885 52.885 52.037 -0.062 0.000 0.635 133 A CB -0.589 18.394 19.000 -0.028 0.000 0.810 133 A HN 0.311 nan 8.150 nan 0.000 0.446 134 L N -1.158 120.035 121.223 -0.051 0.000 2.017 134 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 134 L C 2.775 179.550 176.870 -0.157 0.000 1.073 134 L CA 1.788 56.608 54.840 -0.033 0.000 0.745 134 L CB -0.556 41.559 42.059 0.094 0.000 0.894 134 L HN 0.430 nan 8.230 nan 0.000 0.432 135 R N 0.627 120.843 120.500 -0.472 0.000 2.091 135 R HA -0.213 4.126 4.340 -0.001 0.000 0.238 135 R C 2.139 178.210 176.300 -0.381 0.000 1.136 135 R CA 1.927 57.534 56.100 -0.822 0.000 0.959 135 R CB -0.091 29.363 30.300 -1.411 0.000 0.856 135 R HN 0.420 nan 8.270 nan 0.000 0.437 136 E N -0.435 119.603 120.200 -0.271 0.000 2.106 136 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 136 E C 2.205 178.732 176.600 -0.121 0.000 0.984 136 E CA 0.972 57.270 56.400 -0.169 0.000 0.806 136 E CB 0.012 29.635 29.700 -0.128 0.000 0.750 136 E HN 0.297 nan 8.360 nan 0.000 0.458 137 R N 0.366 120.807 120.500 -0.099 0.000 2.081 137 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 137 R C 2.339 178.604 176.300 -0.059 0.000 1.131 137 R CA 1.248 57.313 56.100 -0.058 0.000 0.960 137 R CB -0.329 29.954 30.300 -0.028 0.000 0.856 137 R HN 0.223 nan 8.270 nan 0.000 0.436 138 I N 0.686 121.212 120.570 -0.074 0.000 2.252 138 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 138 I C 2.289 178.310 176.117 -0.160 0.000 1.102 138 I CA 1.095 62.339 61.300 -0.092 0.000 1.385 138 I CB -0.253 37.714 38.000 -0.055 0.000 1.064 138 I HN 0.096 nan 8.210 nan 0.000 0.414 139 E N 1.267 121.378 120.200 -0.149 0.000 2.110 139 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 139 E C 1.990 178.519 176.600 -0.118 0.000 0.988 139 E CA 1.290 57.606 56.400 -0.140 0.000 0.804 139 E CB -0.128 29.495 29.700 -0.128 0.000 0.745 139 E HN 0.495 nan 8.360 nan 0.000 0.458 140 K N 0.414 120.756 120.400 -0.097 0.000 2.426 140 K HA -0.004 4.315 4.320 -0.001 0.000 0.193 140 K C 0.490 177.052 176.600 -0.063 0.000 1.028 140 K CA 0.112 56.355 56.287 -0.072 0.000 1.047 140 K CB 0.061 32.527 32.500 -0.058 0.000 0.821 140 K HN -0.047 nan 8.250 nan 0.000 0.513 141 N N 2.126 120.780 118.700 -0.078 0.000 2.721 141 N HA -0.199 4.540 4.740 -0.001 0.000 0.249 141 N C -1.148 174.356 175.510 -0.010 0.000 1.072 141 N CA 0.755 53.775 53.050 -0.049 0.000 0.710 141 N CB -1.232 37.224 38.487 -0.050 0.000 0.993 141 N HN 0.202 nan 8.380 nan 0.000 0.547 142 D N 0.720 121.113 120.400 -0.013 0.000 2.619 142 D HA 0.313 4.952 4.640 -0.001 0.000 0.224 142 D C -0.400 175.909 176.300 0.015 0.000 1.133 142 D CA -0.013 53.986 54.000 -0.003 0.000 1.017 142 D CB -0.280 40.511 40.800 -0.016 0.000 1.077 142 D HN 0.410 nan 8.370 nan 0.000 0.503 143 L N 1.350 122.596 121.223 0.037 0.000 2.408 143 L HA 0.667 5.007 4.340 -0.001 0.000 0.268 143 L C 0.309 177.211 176.870 0.052 0.000 0.986 143 L CA -1.401 53.475 54.840 0.060 0.000 0.820 143 L CB 1.972 44.108 42.059 0.128 0.000 1.303 143 L HN 0.120 nan 8.230 nan 0.000 0.411 144 A N 1.693 124.533 122.820 0.035 0.000 2.386 144 A HA 0.568 4.887 4.320 -0.001 0.000 0.248 144 A C -0.002 177.603 177.584 0.034 0.000 1.082 144 A CA -0.032 52.020 52.037 0.025 0.000 0.789 144 A CB 0.908 19.913 19.000 0.009 0.000 1.025 144 A HN 0.564 nan 8.150 nan 0.000 0.490 145 S N -0.248 115.470 115.700 0.030 0.000 2.594 145 S HA 0.762 5.232 4.470 -0.001 0.000 0.296 145 S C -0.157 174.455 174.600 0.021 0.000 1.124 145 S CA 0.234 58.455 58.200 0.034 0.000 1.011 145 S CB 1.137 64.365 63.200 0.047 0.000 1.016 145 S HN 1.940 nan 8.310 nan 0.000 0.485 146 G N 1.429 110.239 108.800 0.016 0.000 2.488 146 G HA2 0.483 4.442 3.960 -0.001 0.000 0.301 146 G HA3 0.483 4.442 3.960 -0.001 0.000 0.301 146 G C -1.904 173.000 174.900 0.008 0.000 1.339 146 G CA -0.430 44.676 45.100 0.010 0.000 0.803 146 G HN 0.764 nan 8.290 nan 0.000 0.482 147 V N 1.653 121.570 119.914 0.005 0.000 2.257 147 V HA 0.633 4.753 4.120 -0.001 0.000 0.269 147 V C 1.083 177.177 176.094 -0.001 0.000 1.040 147 V CA 0.287 62.589 62.300 0.003 0.000 0.813 147 V CB 0.322 32.148 31.823 0.004 0.000 1.065 147 V HN 1.091 nan 8.190 nan 0.000 0.457 148 G N 3.371 112.169 108.800 -0.003 0.000 2.509 148 G HA2 0.724 4.683 3.960 -0.001 0.000 0.269 148 G HA3 0.724 4.683 3.960 -0.001 0.000 0.269 148 G C -0.099 174.797 174.900 -0.006 0.000 1.416 148 G CA 0.190 45.286 45.100 -0.007 0.000 1.052 148 G HN 0.896 nan 8.290 nan 0.000 0.542 149 S N -2.769 112.926 115.700 -0.008 0.000 2.565 149 S HA 0.631 5.100 4.470 -0.001 0.000 0.269 149 S C -1.480 173.115 174.600 -0.008 0.000 1.153 149 S CA -0.715 57.481 58.200 -0.007 0.000 0.835 149 S CB 1.845 65.041 63.200 -0.007 0.000 1.122 149 S HN 0.874 nan 8.310 nan 0.000 0.462 150 V N 0.584 120.493 119.914 -0.007 0.000 2.588 150 V HA 0.911 5.031 4.120 -0.001 0.000 0.304 150 V C 0.070 176.159 176.094 -0.008 0.000 1.042 150 V CA -0.126 62.169 62.300 -0.008 0.000 0.877 150 V CB 0.988 32.806 31.823 -0.007 0.000 0.996 150 V HN 1.274 nan 8.190 nan 0.000 0.425 151 E N 3.031 123.226 120.200 -0.009 0.000 2.222 151 E HA 0.681 5.030 4.350 -0.001 0.000 0.267 151 E C -0.771 175.823 176.600 -0.009 0.000 0.884 151 E CA -0.990 55.405 56.400 -0.008 0.000 0.764 151 E CB 1.634 31.329 29.700 -0.009 0.000 1.169 151 E HN 0.623 nan 8.360 nan 0.000 0.413 152 Q N 0.443 120.238 119.800 -0.008 0.000 2.261 152 Q HA 0.537 4.876 4.340 -0.001 0.000 0.252 152 Q C -0.466 175.530 176.000 -0.006 0.000 0.915 152 Q CA -0.615 55.183 55.803 -0.008 0.000 0.915 152 Q CB 1.660 30.394 28.738 -0.008 0.000 1.204 152 Q HN 0.406 nan 8.270 nan 0.000 0.421 153 V N 2.058 121.968 119.914 -0.006 0.000 2.531 153 V HA 0.140 4.259 4.120 -0.001 0.000 0.301 153 V C -0.642 175.454 176.094 0.003 0.000 1.034 153 V CA -0.860 61.439 62.300 -0.001 0.000 0.865 153 V CB 2.016 33.836 31.823 -0.004 0.000 0.995 153 V HN 0.639 nan 8.190 nan 0.000 0.424 154 D N 3.537 123.944 120.400 0.012 0.000 2.479 154 D HA 0.307 4.947 4.640 -0.001 0.000 0.218 154 D C 0.435 176.759 176.300 0.041 0.000 1.131 154 D CA -0.076 53.934 54.000 0.016 0.000 0.916 154 D CB 1.095 41.902 40.800 0.011 0.000 1.022 154 D HN 0.484 nan 8.370 nan 0.000 0.515 155 I N 3.344 123.945 120.570 0.051 0.000 3.645 155 I HA 0.066 4.235 4.170 -0.001 0.000 0.300 155 I C 1.606 177.809 176.117 0.144 0.000 1.260 155 I CA 0.139 61.506 61.300 0.111 0.000 1.365 155 I CB 0.231 38.301 38.000 0.117 0.000 1.077 155 I HN 0.368 nan 8.210 nan 0.000 0.439 156 L N 1.916 123.189 121.223 0.083 0.000 2.046 156 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 156 L C -0.648 176.333 176.870 0.185 0.000 1.077 156 L CA 2.265 57.169 54.840 0.106 0.000 0.747 156 L CB -1.526 40.563 42.059 0.051 0.000 0.896 156 L HN 0.140 nan 8.230 nan 0.000 0.432 157 P HA -0.182 nan 4.420 nan 0.000 0.216 157 P C 1.661 179.069 177.300 0.179 0.000 1.150 157 P CA 2.395 65.550 63.100 0.092 0.000 0.837 157 P CB -0.215 31.498 31.700 0.022 0.000 0.786 158 R N -0.717 119.904 120.500 0.201 0.000 2.081 158 R HA -0.198 4.142 4.340 -0.001 0.000 0.235 158 R C 2.290 178.741 176.300 0.252 0.000 1.131 158 R CA 2.013 58.264 56.100 0.251 0.000 0.960 158 R CB -2.478 28.006 30.300 0.307 0.000 0.856 158 R HN 0.305 nan 8.270 nan 0.000 0.436 159 Y N -0.417 119.881 120.300 -0.002 0.000 2.145 159 Y HA -0.168 4.382 4.550 -0.001 0.000 0.286 159 Y C 2.158 178.053 175.900 -0.009 0.000 1.145 159 Y CA 2.174 60.068 58.100 -0.344 0.000 1.148 159 Y CB -0.418 37.822 38.460 -0.367 0.000 0.981 159 Y HN 0.309 nan 8.280 nan 0.000 0.507 160 F N 1.098 121.093 119.950 0.075 0.000 2.095 160 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 160 F C 2.572 178.356 175.800 -0.028 0.000 1.104 160 F CA 2.339 60.349 58.000 0.016 0.000 1.232 160 F CB -0.332 38.712 39.000 0.072 0.000 0.987 160 F HN 0.008 nan 8.300 nan 0.000 0.475 161 K N 0.037 120.646 120.400 0.348 0.000 2.097 161 K HA -0.264 4.055 4.320 -0.001 0.000 0.205 161 K C 2.197 178.874 176.600 0.129 0.000 1.050 161 K CA 1.576 58.006 56.287 0.238 0.000 0.938 161 K CB -0.285 32.333 32.500 0.197 0.000 0.718 161 K HN 0.357 nan 8.250 nan 0.000 0.442 162 Q N 0.904 120.778 119.800 0.122 0.000 2.061 162 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 162 Q C 1.844 177.905 176.000 0.102 0.000 0.984 162 Q CA 2.106 58.004 55.803 0.158 0.000 0.846 162 Q CB -0.084 28.807 28.738 0.255 0.000 0.902 162 Q HN 0.429 nan 8.270 nan 0.000 0.421 163 I N -0.307 120.236 120.570 -0.045 0.000 2.163 163 I HA -0.239 3.930 4.170 -0.001 0.000 0.240 163 I C 2.698 178.738 176.117 -0.129 0.000 1.081 163 I CA 1.221 62.443 61.300 -0.130 0.000 1.353 163 I CB -0.438 37.356 38.000 -0.343 0.000 1.054 163 I HN 0.244 nan 8.210 nan 0.000 0.407 164 R N 1.026 121.437 120.500 -0.149 0.000 2.091 164 R HA -0.221 4.119 4.340 -0.001 0.000 0.238 164 R C 1.580 177.858 176.300 -0.036 0.000 1.136 164 R CA 2.065 58.099 56.100 -0.110 0.000 0.959 164 R CB -0.187 30.089 30.300 -0.041 0.000 0.856 164 R HN 0.312 nan 8.270 nan 0.000 0.437 165 D N -0.416 119.989 120.400 0.009 0.000 2.312 165 D HA -0.093 4.546 4.640 -0.001 0.000 0.211 165 D C 0.746 177.054 176.300 0.013 0.000 0.964 165 D CA 1.026 55.042 54.000 0.026 0.000 0.877 165 D CB -0.005 40.828 40.800 0.056 0.000 0.924 165 D HN 0.287 nan 8.370 nan 0.000 0.515 166 D N -0.860 119.542 120.400 0.003 0.000 2.433 166 D HA 0.063 4.702 4.640 -0.001 0.000 0.211 166 D C -0.193 176.075 176.300 -0.054 0.000 1.114 166 D CA -0.073 53.925 54.000 -0.004 0.000 0.837 166 D CB 0.601 41.424 40.800 0.037 0.000 0.984 166 D HN -0.083 nan 8.370 nan 0.000 0.505 167 I N 1.632 122.150 120.570 -0.087 0.000 2.359 167 I HA 0.498 4.668 4.170 -0.001 0.000 0.294 167 I C -0.191 175.873 176.117 -0.089 0.000 0.987 167 I CA -0.809 60.414 61.300 -0.128 0.000 1.225 167 I CB 1.271 39.158 38.000 -0.189 0.000 1.366 167 I HN -0.092 nan 8.210 nan 0.000 0.466 168 A N 8.001 130.772 122.820 -0.081 0.000 2.586 168 A HA 0.580 4.899 4.320 -0.001 0.000 0.320 168 A C -0.121 177.429 177.584 -0.056 0.000 1.281 168 A CA -0.601 51.402 52.037 -0.056 0.000 0.775 168 A CB 0.474 19.449 19.000 -0.042 0.000 1.122 168 A HN 0.726 nan 8.150 nan 0.000 0.470 169 M N 1.705 121.272 119.600 -0.055 0.000 2.228 169 M HA 0.236 4.715 4.480 -0.001 0.000 0.351 169 M C 1.332 177.611 176.300 -0.035 0.000 1.233 169 M CA 0.101 55.372 55.300 -0.048 0.000 1.129 169 M CB 1.450 34.022 32.600 -0.047 0.000 1.604 169 M HN 0.735 nan 8.290 nan 0.000 0.457 170 A N 3.835 126.636 122.820 -0.032 0.000 2.147 170 A HA 0.085 4.404 4.320 -0.001 0.000 0.211 170 A C 0.467 178.038 177.584 -0.022 0.000 1.160 170 A CA 0.774 52.795 52.037 -0.026 0.000 0.781 170 A CB 0.195 19.179 19.000 -0.027 0.000 0.842 170 A HN 0.833 nan 8.150 nan 0.000 0.475 171 K N -0.970 119.417 120.400 -0.022 0.000 2.579 171 K HA 0.514 4.833 4.320 -0.001 0.000 0.284 171 K C -3.500 173.090 176.600 -0.017 0.000 0.990 171 K CA -1.773 54.503 56.287 -0.018 0.000 0.880 171 K CB 1.477 33.966 32.500 -0.018 0.000 1.488 171 K HN -0.136 nan 8.250 nan 0.000 0.425 172 P HA 0.198 nan 4.420 nan 0.000 0.275 172 P C -0.992 176.303 177.300 -0.010 0.000 1.228 172 P CA -0.247 62.846 63.100 -0.011 0.000 0.786 172 P CB 0.706 32.402 31.700 -0.007 0.000 0.927 173 M N 1.065 120.660 119.600 -0.009 0.000 2.572 173 M HA 0.407 4.887 4.480 -0.001 0.000 0.299 173 M C -0.073 176.225 176.300 -0.003 0.000 1.205 173 M CA -0.833 54.464 55.300 -0.006 0.000 0.876 173 M CB 3.188 35.784 32.600 -0.006 0.000 1.728 173 M HN 0.186 nan 8.290 nan 0.000 0.458 174 K N 1.731 122.130 120.400 -0.002 0.000 2.235 174 K HA 0.700 5.019 4.320 -0.001 0.000 0.266 174 K C -1.824 174.775 176.600 -0.002 0.000 0.980 174 K CA -0.477 55.809 56.287 -0.001 0.000 0.849 174 K CB 1.246 33.745 32.500 -0.002 0.000 1.098 174 K HN 0.533 nan 8.250 nan 0.000 0.445 175 V N 4.536 124.450 119.914 -0.000 0.000 2.577 175 V HA 0.295 4.414 4.120 -0.001 0.000 0.303 175 V C -0.617 175.476 176.094 -0.002 0.000 1.042 175 V CA -1.089 61.211 62.300 -0.001 0.000 0.872 175 V CB 1.815 33.642 31.823 0.007 0.000 0.998 175 V HN 0.511 nan 8.190 nan 0.000 0.423 176 V N 5.141 125.047 119.914 -0.013 0.000 2.498 176 V HA 0.444 4.563 4.120 -0.001 0.000 0.279 176 V C -0.064 176.024 176.094 -0.010 0.000 1.048 176 V CA -0.384 61.905 62.300 -0.018 0.000 0.967 176 V CB 1.644 33.447 31.823 -0.034 0.000 0.988 176 V HN 0.610 nan 8.190 nan 0.000 0.473 177 V N 4.029 123.952 119.914 0.016 0.000 2.407 177 V HA 0.376 4.495 4.120 -0.001 0.000 0.291 177 V C -0.481 175.659 176.094 0.077 0.000 1.018 177 V CA -0.522 61.820 62.300 0.070 0.000 0.842 177 V CB 1.764 33.677 31.823 0.150 0.000 0.996 177 V HN 0.907 nan 8.190 nan 0.000 0.426 178 D N 3.574 124.023 120.400 0.082 0.000 2.392 178 D HA 0.258 4.897 4.640 -0.001 0.000 0.228 178 D C 0.485 176.932 176.300 0.245 0.000 1.074 178 D CA -0.254 53.832 54.000 0.143 0.000 0.838 178 D CB 1.773 42.669 40.800 0.159 0.000 1.067 178 D HN 0.545 nan 8.370 nan 0.000 0.511 179 C N 2.253 121.709 119.300 0.261 0.000 2.696 179 C HA 0.320 4.779 4.460 -0.001 0.000 0.264 179 C C 1.724 176.835 174.990 0.203 0.000 1.288 179 C CA 0.214 59.394 59.018 0.271 0.000 1.717 179 C CB -0.892 26.962 27.740 0.191 0.000 1.893 179 C HN 0.901 nan 8.230 nan 0.000 0.577 180 G N 2.077 110.997 108.800 0.200 0.000 2.225 180 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.267 180 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.267 180 G C 0.234 175.122 174.900 -0.019 0.000 1.024 180 G CA 0.757 45.847 45.100 -0.017 0.000 0.784 180 G HN 0.724 nan 8.290 nan 0.000 0.507 181 N N -2.180 116.589 118.700 0.114 0.000 2.753 181 N HA -0.186 4.553 4.740 -0.001 0.000 0.251 181 N C 1.282 176.944 175.510 0.253 0.000 1.097 181 N CA 1.266 54.422 53.050 0.176 0.000 0.786 181 N CB -0.973 37.627 38.487 0.188 0.000 1.137 181 N HN 1.333 nan 8.380 nan 0.000 0.566 182 G N -0.645 108.265 108.800 0.183 0.000 2.525 182 G HA2 0.387 4.346 3.960 -0.001 0.000 0.287 182 G HA3 0.387 4.346 3.960 -0.001 0.000 0.287 182 G C 0.897 175.862 174.900 0.108 0.000 1.350 182 G CA -0.081 45.132 45.100 0.189 0.000 1.039 182 G HN 0.121 nan 8.290 nan 0.000 0.513 183 V N 0.397 120.349 119.914 0.065 0.000 3.217 183 V HA 0.082 4.202 4.120 -0.001 0.000 0.264 183 V C 2.773 178.848 176.094 -0.031 0.000 1.135 183 V CA 1.905 64.211 62.300 0.010 0.000 1.142 183 V CB -0.575 31.237 31.823 -0.017 0.000 0.754 183 V HN 0.792 nan 8.190 nan 0.000 0.484 184 A N 0.095 122.888 122.820 -0.045 0.000 2.125 184 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 184 A C 2.212 179.732 177.584 -0.107 0.000 1.156 184 A CA 1.402 53.347 52.037 -0.154 0.000 0.671 184 A CB -0.899 17.925 19.000 -0.294 0.000 0.794 184 A HN 0.639 nan 8.150 nan 0.000 0.459 185 G N -0.226 108.565 108.800 -0.016 0.000 2.559 185 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.216 185 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.216 185 G C 1.358 176.263 174.900 0.009 0.000 1.126 185 G CA 1.168 46.276 45.100 0.014 0.000 0.778 185 G HN 0.990 nan 8.290 nan 0.000 0.543 186 V N -2.248 117.661 119.914 -0.007 0.000 3.217 186 V HA 0.331 4.450 4.120 -0.001 0.000 0.264 186 V C 1.789 177.904 176.094 0.036 0.000 1.135 186 V CA 1.603 63.906 62.300 0.005 0.000 1.142 186 V CB -0.020 31.795 31.823 -0.013 0.000 0.754 186 V HN 0.352 nan 8.190 nan 0.000 0.484 187 I N -1.800 118.787 120.570 0.029 0.000 5.007 187 I HA 0.421 4.590 4.170 -0.001 0.000 0.323 187 I C 2.197 178.340 176.117 0.043 0.000 1.195 187 I CA 0.870 62.231 61.300 0.102 0.000 1.407 187 I CB 0.060 38.144 38.000 0.140 0.000 1.544 187 I HN 0.072 nan 8.210 nan 0.000 0.505 188 A N 2.418 125.189 122.820 -0.081 0.000 1.865 188 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 188 A C -0.403 177.179 177.584 -0.003 0.000 1.191 188 A CA 2.197 54.153 52.037 -0.136 0.000 0.623 188 A CB -2.081 16.667 19.000 -0.419 0.000 0.826 188 A HN 0.381 nan 8.150 nan 0.000 0.444 189 P HA -0.138 nan 4.420 nan 0.000 0.217 189 P C 1.226 178.569 177.300 0.072 0.000 1.150 189 P CA 1.487 64.625 63.100 0.064 0.000 0.832 189 P CB -0.089 31.648 31.700 0.061 0.000 0.787 190 Q N -0.967 118.899 119.800 0.110 0.000 2.079 190 Q HA -0.103 4.236 4.340 -0.001 0.000 0.200 190 Q C 2.086 178.228 176.000 0.236 0.000 0.974 190 Q CA 1.043 56.965 55.803 0.200 0.000 0.840 190 Q CB -1.212 27.693 28.738 0.278 0.000 0.898 190 Q HN 0.156 nan 8.270 nan 0.000 0.430 191 L N 0.123 121.386 121.223 0.067 0.000 2.056 191 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 191 L C 1.838 178.589 176.870 -0.199 0.000 1.078 191 L CA 1.527 56.143 54.840 -0.374 0.000 0.749 191 L CB -0.337 41.392 42.059 -0.550 0.000 0.901 191 L HN 0.234 nan 8.230 nan 0.000 0.433 192 I N -0.371 120.149 120.570 -0.084 0.000 2.226 192 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 192 I C 2.552 178.657 176.117 -0.020 0.000 1.100 192 I CA 1.630 62.902 61.300 -0.045 0.000 1.374 192 I CB -0.450 37.557 38.000 0.012 0.000 1.057 192 I HN 0.454 nan 8.210 nan 0.000 0.413 193 E N 1.499 121.708 120.200 0.016 0.000 2.058 193 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 193 E C 2.247 178.867 176.600 0.034 0.000 0.997 193 E CA 1.563 57.982 56.400 0.031 0.000 0.801 193 E CB -0.046 29.686 29.700 0.054 0.000 0.746 193 E HN 0.497 nan 8.360 nan 0.000 0.450 194 A N 1.012 123.867 122.820 0.058 0.000 2.019 194 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 194 A C 2.187 179.774 177.584 0.005 0.000 1.164 194 A CA 0.875 52.960 52.037 0.080 0.000 0.644 194 A CB -0.508 18.625 19.000 0.223 0.000 0.805 194 A HN 0.317 nan 8.150 nan 0.000 0.449 195 L N -1.613 119.578 121.223 -0.052 0.000 2.201 195 L HA 0.063 4.403 4.340 -0.001 0.000 0.212 195 L C 1.530 178.378 176.870 -0.037 0.000 1.105 195 L CA 0.838 55.638 54.840 -0.067 0.000 0.775 195 L CB -0.377 41.621 42.059 -0.100 0.000 0.913 195 L HN 0.607 nan 8.230 nan 0.000 0.440 196 G N -0.984 107.805 108.800 -0.018 0.000 2.338 196 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.115 196 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.115 196 G C -0.361 174.534 174.900 -0.009 0.000 1.053 196 G CA -0.557 44.537 45.100 -0.010 0.000 0.733 196 G HN 0.187 nan 8.290 nan 0.000 0.482 197 C N 0.193 119.490 119.300 -0.005 0.000 2.667 197 C HA 0.863 5.322 4.460 -0.001 0.000 0.323 197 C C 0.842 175.836 174.990 0.006 0.000 1.214 197 C CA -0.476 58.541 59.018 -0.002 0.000 1.721 197 C CB 1.806 29.545 27.740 -0.002 0.000 2.275 197 C HN 0.595 nan 8.230 nan 0.000 0.491 198 S N 0.870 116.573 115.700 0.005 0.000 2.499 198 S HA 0.555 5.024 4.470 -0.001 0.000 0.279 198 S C -0.509 174.097 174.600 0.009 0.000 1.219 198 S CA -0.432 57.772 58.200 0.008 0.000 1.062 198 S CB 0.922 64.124 63.200 0.004 0.000 0.978 198 S HN 0.491 nan 8.310 nan 0.000 0.489 199 V N 4.522 124.445 119.914 0.014 0.000 2.448 199 V HA 0.412 4.532 4.120 -0.001 0.000 0.295 199 V C -0.380 175.720 176.094 0.009 0.000 1.025 199 V CA -0.615 61.695 62.300 0.016 0.000 0.859 199 V CB 1.415 33.257 31.823 0.030 0.000 0.988 199 V HN 0.776 nan 8.190 nan 0.000 0.431 200 I N 8.293 128.863 120.570 0.000 0.000 2.297 200 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 200 I C -2.128 173.977 176.117 -0.020 0.000 1.033 200 I CA -1.654 59.638 61.300 -0.014 0.000 1.253 200 I CB 1.606 39.592 38.000 -0.023 0.000 1.396 200 I HN 0.431 nan 8.210 nan 0.000 0.476 201 P HA 0.311 nan 4.420 nan 0.000 0.284 201 P C -0.978 176.261 177.300 -0.103 0.000 1.253 201 P CA -0.318 62.766 63.100 -0.028 0.000 0.800 201 P CB 1.506 33.202 31.700 -0.007 0.000 0.961 202 L N 4.691 125.829 121.223 -0.141 0.000 2.372 202 L HA 0.342 4.681 4.340 -0.001 0.000 0.274 202 L C -0.137 176.560 176.870 -0.288 0.000 0.988 202 L CA -0.837 53.761 54.840 -0.404 0.000 0.833 202 L CB 0.926 42.723 42.059 -0.437 0.000 1.236 202 L HN 0.493 nan 8.230 nan 0.000 0.410 203 Y N 1.294 121.612 120.300 0.030 0.000 3.234 203 Y HA -0.297 4.252 4.550 -0.001 0.000 0.207 203 Y C 1.220 177.138 175.900 0.031 0.000 1.316 203 Y CA -0.335 57.770 58.100 0.008 0.000 1.309 203 Y CB -2.015 36.409 38.460 -0.060 0.000 1.408 203 Y HN 0.607 nan 8.280 nan 0.000 0.544 204 C N -0.028 119.343 119.300 0.118 0.000 2.791 204 C HA 0.266 4.725 4.460 -0.001 0.000 0.270 204 C C 1.636 176.674 174.990 0.080 0.000 1.257 204 C CA 0.661 59.736 59.018 0.095 0.000 1.699 204 C CB -1.054 26.726 27.740 0.065 0.000 1.904 204 C HN 0.629 nan 8.230 nan 0.000 0.603 205 E N 0.830 121.081 120.200 0.086 0.000 2.290 205 E HA 0.420 4.770 4.350 -0.001 0.000 0.277 205 E C -0.225 176.417 176.600 0.070 0.000 1.035 205 E CA -0.041 56.398 56.400 0.065 0.000 0.873 205 E CB 0.394 30.130 29.700 0.060 0.000 1.029 205 E HN 0.327 nan 8.360 nan 0.000 0.419 206 V N 3.671 123.614 119.914 0.049 0.000 2.485 206 V HA 0.285 4.404 4.120 -0.001 0.000 0.287 206 V C -0.091 176.016 176.094 0.023 0.000 1.022 206 V CA 0.224 62.552 62.300 0.046 0.000 1.067 206 V CB 0.787 32.624 31.823 0.023 0.000 0.967 206 V HN 0.879 nan 8.190 nan 0.000 0.479 207 D N 3.816 124.231 120.400 0.024 0.000 2.365 207 D HA 0.278 4.917 4.640 -0.001 0.000 0.235 207 D C 0.893 177.073 176.300 -0.199 0.000 1.368 207 D CA -0.054 53.917 54.000 -0.049 0.000 1.001 207 D CB 1.584 42.377 40.800 -0.012 0.000 1.364 207 D HN 0.488 nan 8.370 nan 0.000 0.577 208 G N 2.638 111.247 108.800 -0.318 0.000 2.625 208 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.214 208 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.214 208 G C 1.086 175.485 174.900 -0.836 0.000 1.132 208 G CA 0.061 44.762 45.100 -0.664 0.000 0.782 208 G HN 0.474 nan 8.290 nan 0.000 0.538 209 N N 0.637 119.054 118.700 -0.472 0.000 2.515 209 N HA -0.031 4.709 4.740 -0.001 0.000 0.185 209 N C -0.007 175.378 175.510 -0.208 0.000 1.109 209 N CA 0.055 52.921 53.050 -0.307 0.000 0.903 209 N CB -0.080 38.327 38.487 -0.133 0.000 0.969 209 N HN 0.209 nan 8.380 nan 0.000 0.450 210 F N 0.346 120.253 119.950 -0.071 0.000 2.783 210 F HA -0.155 4.371 4.527 -0.001 0.000 0.222 210 F C -1.231 174.550 175.800 -0.031 0.000 1.028 210 F CA -0.455 57.499 58.000 -0.077 0.000 0.862 210 F CB -1.775 37.136 39.000 -0.147 0.000 0.744 210 F HN 0.195 nan 8.300 nan 0.000 0.850 211 P HA -0.096 nan 4.420 nan 0.000 0.226 211 P C 0.676 177.951 177.300 -0.042 0.000 1.153 211 P CA 1.150 64.263 63.100 0.022 0.000 0.777 211 P CB 0.492 32.190 31.700 -0.004 0.000 0.794 212 N N -0.129 118.479 118.700 -0.154 0.000 2.849 212 N HA 0.097 4.836 4.740 -0.001 0.000 0.307 212 N C 0.323 175.699 175.510 -0.223 0.000 1.370 212 N CA -0.369 52.473 53.050 -0.347 0.000 0.790 212 N CB -0.624 37.301 38.487 -0.936 0.000 1.117 212 N HN 0.192 nan 8.380 nan 0.000 0.495 213 H N -0.803 118.126 119.070 -0.235 0.000 2.690 213 H HA 0.191 4.746 4.556 -0.001 0.000 0.365 213 H C -0.136 175.194 175.328 0.004 0.000 1.142 213 H CA -0.005 55.983 56.048 -0.099 0.000 1.417 213 H CB -0.201 29.504 29.762 -0.095 0.000 1.446 213 H HN 0.330 nan 8.280 nan 0.000 0.599 214 H N 2.388 121.481 119.070 0.038 0.000 2.790 214 H HA 0.070 4.625 4.556 -0.001 0.000 0.358 214 H C -1.831 173.460 175.328 -0.061 0.000 1.103 214 H CA -1.854 54.113 56.048 -0.136 0.000 1.426 214 H CB 0.738 30.439 29.762 -0.101 0.000 1.424 214 H HN 0.650 nan 8.280 nan 0.000 0.599 215 P HA 0.021 nan 4.420 nan 0.000 0.244 215 P C -0.849 176.436 177.300 -0.025 0.000 1.769 215 P CA 0.171 63.218 63.100 -0.090 0.000 1.102 215 P CB -0.081 31.457 31.700 -0.270 0.000 1.937 216 D N 3.816 124.227 120.400 0.017 0.000 2.429 216 D HA 0.163 4.802 4.640 -0.001 0.000 0.255 216 D C -1.869 174.373 176.300 -0.096 0.000 1.257 216 D CA -2.106 51.858 54.000 -0.060 0.000 0.890 216 D CB 1.179 41.942 40.800 -0.062 0.000 1.267 216 D HN 0.069 nan 8.370 nan 0.000 0.521 217 P HA 0.106 nan 4.420 nan 0.000 0.242 217 P C 1.255 178.482 177.300 -0.121 0.000 1.197 217 P CA 0.191 63.214 63.100 -0.128 0.000 0.765 217 P CB 0.295 31.912 31.700 -0.137 0.000 0.936 218 G N -0.234 108.504 108.800 -0.103 0.000 2.572 218 G HA2 0.002 3.961 3.960 -0.001 0.000 0.216 218 G HA3 0.002 3.961 3.960 -0.001 0.000 0.216 218 G C 0.817 175.711 174.900 -0.010 0.000 1.133 218 G CA 0.178 45.253 45.100 -0.041 0.000 0.791 218 G HN 0.490 nan 8.290 nan 0.000 0.538 219 K N 1.100 121.465 120.400 -0.058 0.000 2.211 219 K HA 0.593 4.912 4.320 -0.001 0.000 0.275 219 K C -1.441 175.123 176.600 -0.061 0.000 1.024 219 K CA -1.662 54.600 56.287 -0.043 0.000 0.887 219 K CB 0.931 33.395 32.500 -0.060 0.000 1.084 219 K HN -0.051 nan 8.250 nan 0.000 0.463 220 P HA -0.199 nan 4.420 nan 0.000 0.217 220 P C 1.630 178.881 177.300 -0.082 0.000 1.148 220 P CA 1.943 65.014 63.100 -0.048 0.000 0.828 220 P CB 0.273 31.973 31.700 -0.000 0.000 0.783 221 E N 0.084 120.239 120.200 -0.075 0.000 2.153 221 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 221 E C 1.696 178.208 176.600 -0.146 0.000 0.988 221 E CA 1.340 57.690 56.400 -0.083 0.000 0.811 221 E CB -1.621 28.042 29.700 -0.062 0.000 0.746 221 E HN 0.322 nan 8.360 nan 0.000 0.466 222 N N -0.345 118.229 118.700 -0.210 0.000 2.461 222 N HA 0.095 4.834 4.740 -0.001 0.000 0.188 222 N C 1.165 176.366 175.510 -0.515 0.000 1.134 222 N CA 0.460 53.240 53.050 -0.449 0.000 0.878 222 N CB 0.456 38.738 38.487 -0.343 0.000 0.972 222 N HN 0.451 nan 8.380 nan 0.000 0.456 223 L N -0.315 120.745 121.223 -0.272 0.000 2.693 223 L HA 0.166 4.506 4.340 -0.001 0.000 0.235 223 L C 2.349 179.144 176.870 -0.125 0.000 1.127 223 L CA 0.055 54.775 54.840 -0.199 0.000 0.914 223 L CB -0.145 41.807 42.059 -0.178 0.000 1.193 223 L HN 0.004 nan 8.230 nan 0.000 0.502 224 K N 0.453 120.790 120.400 -0.105 0.000 2.032 224 K HA -0.218 4.102 4.320 -0.001 0.000 0.209 224 K C 1.572 178.167 176.600 -0.010 0.000 1.048 224 K CA 2.215 58.474 56.287 -0.047 0.000 0.927 224 K CB -0.764 31.718 32.500 -0.030 0.000 0.712 224 K HN 0.235 nan 8.250 nan 0.000 0.441 225 D N 0.151 120.572 120.400 0.036 0.000 2.117 225 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 225 D C 1.928 178.251 176.300 0.037 0.000 0.987 225 D CA 1.278 55.333 54.000 0.093 0.000 0.829 225 D CB -0.366 40.599 40.800 0.273 0.000 0.961 225 D HN 0.278 nan 8.370 nan 0.000 0.460 226 L N 0.842 122.076 121.223 0.018 0.000 2.012 226 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 226 L C 2.131 178.976 176.870 -0.040 0.000 1.073 226 L CA 1.465 56.291 54.840 -0.023 0.000 0.748 226 L CB -0.546 41.484 42.059 -0.047 0.000 0.891 226 L HN -0.014 nan 8.230 nan 0.000 0.431 227 I N -0.432 120.109 120.570 -0.049 0.000 2.226 227 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 227 I C 2.574 178.672 176.117 -0.032 0.000 1.100 227 I CA 1.226 62.496 61.300 -0.050 0.000 1.374 227 I CB -0.599 37.367 38.000 -0.057 0.000 1.057 227 I HN 0.392 nan 8.210 nan 0.000 0.413 228 A N 0.453 123.261 122.820 -0.020 0.000 1.933 228 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 228 A C 2.264 179.839 177.584 -0.014 0.000 1.175 228 A CA 1.920 53.951 52.037 -0.011 0.000 0.628 228 A CB -0.401 18.600 19.000 0.002 0.000 0.814 228 A HN 0.245 nan 8.150 nan 0.000 0.444 229 K N -0.250 120.138 120.400 -0.019 0.000 2.103 229 K HA 0.005 4.324 4.320 -0.001 0.000 0.204 229 K C 1.676 178.261 176.600 -0.025 0.000 1.052 229 K CA 1.449 57.721 56.287 -0.025 0.000 0.945 229 K CB -0.584 31.892 32.500 -0.041 0.000 0.722 229 K HN 0.162 nan 8.250 nan 0.000 0.443 230 V N 1.338 121.235 119.914 -0.029 0.000 2.287 230 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 230 V C 2.136 178.218 176.094 -0.019 0.000 1.053 230 V CA 2.091 64.375 62.300 -0.026 0.000 1.027 230 V CB -0.377 31.426 31.823 -0.034 0.000 0.646 230 V HN 0.357 nan 8.190 nan 0.000 0.447 231 K N -0.008 120.380 120.400 -0.019 0.000 2.026 231 K HA -0.113 4.207 4.320 -0.001 0.000 0.208 231 K C 2.321 178.915 176.600 -0.010 0.000 1.048 231 K CA 1.483 57.762 56.287 -0.013 0.000 0.929 231 K CB -0.472 32.020 32.500 -0.014 0.000 0.713 231 K HN 0.462 nan 8.250 nan 0.000 0.439 232 A N 1.549 124.363 122.820 -0.010 0.000 1.933 232 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 232 A C 1.627 179.207 177.584 -0.008 0.000 1.175 232 A CA 1.507 53.539 52.037 -0.008 0.000 0.628 232 A CB -0.153 18.842 19.000 -0.008 0.000 0.814 232 A HN 0.174 nan 8.150 nan 0.000 0.444 233 E N -0.997 119.197 120.200 -0.011 0.000 2.474 233 E HA 0.121 4.471 4.350 -0.001 0.000 0.195 233 E C 0.751 177.346 176.600 -0.007 0.000 1.039 233 E CA 0.673 57.067 56.400 -0.010 0.000 0.881 233 E CB -1.221 28.471 29.700 -0.013 0.000 0.970 233 E HN 0.820 nan 8.360 nan 0.000 0.486 234 N N 0.838 119.534 118.700 -0.007 0.000 2.714 234 N HA -0.214 4.525 4.740 -0.001 0.000 0.252 234 N C 0.378 175.886 175.510 -0.004 0.000 1.014 234 N CA 0.670 53.717 53.050 -0.004 0.000 0.735 234 N CB -2.101 36.385 38.487 -0.002 0.000 0.924 234 N HN 0.349 nan 8.380 nan 0.000 0.540 235 A N -0.719 122.097 122.820 -0.007 0.000 2.332 235 A HA 0.531 4.850 4.320 -0.001 0.000 0.258 235 A C 1.108 178.690 177.584 -0.003 0.000 1.087 235 A CA 0.382 52.415 52.037 -0.007 0.000 0.802 235 A CB 0.479 19.471 19.000 -0.012 0.000 1.042 235 A HN 0.508 nan 8.150 nan 0.000 0.489 236 D N -0.907 119.493 120.400 0.000 0.000 2.277 236 D HA 0.178 4.817 4.640 -0.001 0.000 0.208 236 D C -0.176 176.130 176.300 0.010 0.000 0.962 236 D CA 1.132 55.136 54.000 0.007 0.000 0.865 236 D CB 0.110 40.913 40.800 0.006 0.000 0.939 236 D HN 0.265 nan 8.370 nan 0.000 0.510 237 L N -0.994 120.228 121.223 -0.001 0.000 2.672 237 L HA 0.501 4.840 4.340 -0.001 0.000 0.256 237 L C -1.278 175.574 176.870 -0.030 0.000 0.946 237 L CA -0.557 54.278 54.840 -0.008 0.000 0.889 237 L CB 2.044 44.107 42.059 0.006 0.000 1.441 237 L HN -0.101 nan 8.230 nan 0.000 0.418 238 G N 2.989 111.755 108.800 -0.057 0.000 2.495 238 G HA2 0.722 4.682 3.960 -0.001 0.000 0.318 238 G HA3 0.722 4.682 3.960 -0.001 0.000 0.318 238 G C -1.870 172.955 174.900 -0.124 0.000 1.257 238 G CA -0.544 44.509 45.100 -0.079 0.000 0.962 238 G HN 0.579 nan 8.290 nan 0.000 0.483 239 L N 0.908 122.041 121.223 -0.149 0.000 2.386 239 L HA 0.790 5.130 4.340 -0.001 0.000 0.271 239 L C 0.078 176.734 176.870 -0.357 0.000 0.993 239 L CA -0.996 53.671 54.840 -0.289 0.000 0.819 239 L CB 2.433 44.307 42.059 -0.308 0.000 1.294 239 L HN 0.668 nan 8.230 nan 0.000 0.414 240 A N 2.357 124.893 122.820 -0.474 0.000 2.371 240 A HA 0.879 5.198 4.320 -0.001 0.000 0.311 240 A C -1.389 175.862 177.584 -0.554 0.000 1.068 240 A CA -0.328 51.496 52.037 -0.354 0.000 0.744 240 A CB 0.971 19.863 19.000 -0.179 0.000 1.239 240 A HN 0.450 nan 8.150 nan 0.000 0.435 241 F N 1.497 121.459 119.950 0.020 0.000 2.492 241 F HA 0.418 4.944 4.527 -0.001 0.000 0.327 241 F C 0.792 176.590 175.800 -0.003 0.000 1.079 241 F CA -0.598 57.404 58.000 0.004 0.000 0.967 241 F CB 1.523 40.532 39.000 0.015 0.000 1.169 241 F HN 0.737 nan 8.300 nan 0.000 0.472 242 D N 0.627 121.119 120.400 0.154 0.000 2.414 242 D HA 0.141 4.780 4.640 -0.001 0.000 0.251 242 D C 1.380 177.720 176.300 0.067 0.000 1.252 242 D CA -0.212 53.832 54.000 0.072 0.000 0.999 242 D CB 0.433 41.259 40.800 0.042 0.000 1.093 242 D HN 0.607 nan 8.370 nan 0.000 0.515 243 G N -0.411 108.389 108.800 0.001 0.000 2.450 243 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 243 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 243 G C 0.897 175.815 174.900 0.031 0.000 1.130 243 G CA 1.299 46.385 45.100 -0.023 0.000 0.760 243 G HN 0.730 nan 8.290 nan 0.000 0.557 244 D N -1.484 118.929 120.400 0.021 0.000 2.398 244 D HA 0.207 4.846 4.640 -0.001 0.000 0.210 244 D C 1.602 177.880 176.300 -0.036 0.000 1.094 244 D CA 0.645 54.635 54.000 -0.017 0.000 0.839 244 D CB -0.366 40.413 40.800 -0.036 0.000 0.963 244 D HN 0.524 nan 8.370 nan 0.000 0.506 245 G N 2.186 110.992 108.800 0.011 0.000 2.143 245 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.249 245 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.249 245 G C 0.453 175.390 174.900 0.061 0.000 0.981 245 G CA 0.493 45.604 45.100 0.018 0.000 0.665 245 G HN 0.511 nan 8.290 nan 0.000 0.528 246 D N -0.749 119.671 120.400 0.033 0.000 2.339 246 D HA 0.245 4.884 4.640 -0.001 0.000 0.217 246 D C 0.951 177.181 176.300 -0.118 0.000 1.050 246 D CA 0.060 54.086 54.000 0.044 0.000 0.856 246 D CB 0.313 41.182 40.800 0.115 0.000 0.922 246 D HN 0.522 nan 8.370 nan 0.000 0.518 247 R N -0.410 120.025 120.500 -0.108 0.000 2.750 247 R HA 0.661 5.000 4.340 -0.001 0.000 0.281 247 R C -1.890 174.423 176.300 0.022 0.000 0.972 247 R CA -0.945 55.048 56.100 -0.178 0.000 0.912 247 R CB 2.559 32.709 30.300 -0.251 0.000 1.187 247 R HN -0.019 nan 8.270 nan 0.000 0.464 248 V N 2.247 122.145 119.914 -0.026 0.000 2.876 248 V HA 0.878 4.997 4.120 -0.001 0.000 0.312 248 V C -0.835 175.159 176.094 -0.168 0.000 1.085 248 V CA -0.332 61.894 62.300 -0.125 0.000 0.945 248 V CB 2.059 33.855 31.823 -0.046 0.000 1.017 248 V HN 0.867 nan 8.190 nan 0.000 0.428 249 G N 3.818 112.458 108.800 -0.266 0.000 2.482 249 G HA2 0.682 4.641 3.960 -0.001 0.000 0.317 249 G HA3 0.682 4.641 3.960 -0.001 0.000 0.317 249 G C -1.657 173.071 174.900 -0.287 0.000 1.241 249 G CA -0.587 44.360 45.100 -0.254 0.000 0.967 249 G HN 0.887 nan 8.290 nan 0.000 0.482 250 V N 0.850 120.587 119.914 -0.294 0.000 2.709 250 V HA 0.650 4.769 4.120 -0.001 0.000 0.308 250 V C -0.544 175.375 176.094 -0.292 0.000 1.062 250 V CA -0.702 61.432 62.300 -0.277 0.000 0.901 250 V CB 1.892 33.540 31.823 -0.291 0.000 1.003 250 V HN 0.594 nan 8.190 nan 0.000 0.425 251 V N 2.854 122.639 119.914 -0.216 0.000 2.709 251 V HA 0.567 4.686 4.120 -0.001 0.000 0.308 251 V C 0.396 176.420 176.094 -0.115 0.000 1.062 251 V CA -0.412 61.779 62.300 -0.181 0.000 0.901 251 V CB 2.534 34.266 31.823 -0.151 0.000 1.003 251 V HN 1.070 nan 8.190 nan 0.000 0.425 252 T N 0.556 115.055 114.554 -0.092 0.000 2.770 252 T HA 0.122 4.471 4.350 -0.001 0.000 0.281 252 T C 1.314 176.003 174.700 -0.019 0.000 0.981 252 T CA 0.062 62.151 62.100 -0.019 0.000 0.955 252 T CB 0.410 69.285 68.868 0.011 0.000 1.060 252 T HN 0.762 nan 8.240 nan 0.000 0.531 253 N N 0.207 118.911 118.700 0.006 0.000 2.364 253 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 253 N C 1.447 176.953 175.510 -0.007 0.000 1.022 253 N CA 1.633 54.684 53.050 0.002 0.000 0.883 253 N CB -0.941 37.557 38.487 0.018 0.000 0.965 253 N HN 0.840 nan 8.380 nan 0.000 0.438 254 T N -5.203 109.342 114.554 -0.015 0.000 3.086 254 T HA 0.443 4.792 4.350 -0.001 0.000 0.250 254 T C 1.304 175.984 174.700 -0.034 0.000 1.074 254 T CA 0.347 62.434 62.100 -0.023 0.000 0.988 254 T CB 0.061 68.911 68.868 -0.030 0.000 0.988 254 T HN 0.384 nan 8.240 nan 0.000 0.530 255 G N 1.009 109.782 108.800 -0.044 0.000 2.176 255 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.232 255 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.232 255 G C 0.144 174.997 174.900 -0.077 0.000 0.986 255 G CA -0.091 44.975 45.100 -0.058 0.000 0.643 255 G HN 0.673 nan 8.290 nan 0.000 0.522 256 T N 1.765 116.273 114.554 -0.078 0.000 2.853 256 T HA 0.445 4.794 4.350 -0.001 0.000 0.298 256 T C 1.025 175.628 174.700 -0.161 0.000 0.978 256 T CA 0.193 62.237 62.100 -0.094 0.000 1.152 256 T CB 1.002 69.825 68.868 -0.074 0.000 0.914 256 T HN 0.330 nan 8.240 nan 0.000 0.539 257 I N 4.286 124.737 120.570 -0.199 0.000 2.471 257 I HA 0.146 4.315 4.170 -0.001 0.000 0.286 257 I C 0.188 176.052 176.117 -0.422 0.000 1.079 257 I CA -0.320 60.762 61.300 -0.363 0.000 1.398 257 I CB 0.449 38.167 38.000 -0.471 0.000 1.403 257 I HN 0.360 nan 8.210 nan 0.000 0.530 258 I N 7.851 128.120 120.570 -0.501 0.000 2.306 258 I HA 0.223 4.392 4.170 -0.001 0.000 0.288 258 I C -0.013 175.821 176.117 -0.472 0.000 1.036 258 I CA -0.537 60.457 61.300 -0.510 0.000 1.221 258 I CB 0.080 37.582 38.000 -0.831 0.000 1.385 258 I HN 0.398 nan 8.210 nan 0.000 0.472 259 Y N 7.864 128.045 120.300 -0.198 0.000 2.379 259 Y HA 0.121 4.671 4.550 -0.001 0.000 0.337 259 Y C -1.062 174.762 175.900 -0.127 0.000 1.238 259 Y CA -0.951 57.070 58.100 -0.131 0.000 1.405 259 Y CB 0.141 38.555 38.460 -0.076 0.000 1.310 259 Y HN 0.429 nan 8.280 nan 0.000 0.569 260 P HA -0.179 nan 4.420 nan 0.000 0.219 260 P C 0.759 178.089 177.300 0.050 0.000 1.146 260 P CA 1.853 64.982 63.100 0.049 0.000 0.808 260 P CB 0.142 31.904 31.700 0.103 0.000 0.779 261 D N -0.645 119.796 120.400 0.067 0.000 2.178 261 D HA -0.175 4.465 4.640 -0.001 0.000 0.202 261 D C 1.974 178.249 176.300 -0.041 0.000 0.974 261 D CA 1.124 55.136 54.000 0.021 0.000 0.841 261 D CB -0.895 39.917 40.800 0.021 0.000 0.953 261 D HN 0.127 nan 8.370 nan 0.000 0.478 262 R N -0.514 119.963 120.500 -0.038 0.000 2.073 262 R HA 0.009 4.348 4.340 -0.001 0.000 0.229 262 R C 2.278 178.518 176.300 -0.100 0.000 1.120 262 R CA 0.464 56.519 56.100 -0.074 0.000 0.967 262 R CB -0.356 29.918 30.300 -0.043 0.000 0.862 262 R HN 0.170 nan 8.270 nan 0.000 0.436 263 L N 0.936 122.065 121.223 -0.156 0.000 2.043 263 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 263 L C 1.903 178.613 176.870 -0.266 0.000 1.075 263 L CA 1.608 56.316 54.840 -0.218 0.000 0.752 263 L CB -0.628 41.274 42.059 -0.262 0.000 0.891 263 L HN 0.233 nan 8.230 nan 0.000 0.432 264 L N -1.046 120.125 121.223 -0.086 0.000 2.191 264 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 264 L C 2.355 179.190 176.870 -0.058 0.000 1.103 264 L CA 1.693 56.547 54.840 0.023 0.000 0.769 264 L CB -0.402 41.696 42.059 0.066 0.000 0.908 264 L HN 0.338 nan 8.230 nan 0.000 0.438 265 M N -2.000 117.480 119.600 -0.200 0.000 2.086 265 M HA -0.239 4.240 4.480 -0.001 0.000 0.261 265 M C 2.130 178.222 176.300 -0.348 0.000 1.067 265 M CA 1.680 56.761 55.300 -0.365 0.000 1.116 265 M CB -0.530 31.615 32.600 -0.758 0.000 1.348 265 M HN 0.300 nan 8.290 nan 0.000 0.407 266 L N -0.135 120.902 121.223 -0.310 0.000 2.056 266 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 266 L C 2.033 178.927 176.870 0.040 0.000 1.078 266 L CA 1.840 56.607 54.840 -0.122 0.000 0.749 266 L CB -0.545 41.434 42.059 -0.133 0.000 0.901 266 L HN 0.171 nan 8.230 nan 0.000 0.433 267 F N -0.881 119.093 119.950 0.040 0.000 2.186 267 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 267 F C 2.450 178.259 175.800 0.015 0.000 1.090 267 F CA 0.403 58.448 58.000 0.075 0.000 1.307 267 F CB -0.439 38.604 39.000 0.070 0.000 1.019 267 F HN 0.226 nan 8.300 nan 0.000 0.489 268 A N 0.389 123.305 122.820 0.161 0.000 1.898 268 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 268 A C 2.144 179.736 177.584 0.014 0.000 1.181 268 A CA 1.766 53.850 52.037 0.079 0.000 0.620 268 A CB -0.708 18.328 19.000 0.061 0.000 0.819 268 A HN 0.325 nan 8.150 nan 0.000 0.442 269 K N -0.210 120.148 120.400 -0.070 0.000 2.032 269 K HA -0.277 4.043 4.320 -0.001 0.000 0.209 269 K C 1.783 178.261 176.600 -0.203 0.000 1.048 269 K CA 2.117 58.195 56.287 -0.348 0.000 0.927 269 K CB -0.326 31.937 32.500 -0.396 0.000 0.712 269 K HN 0.447 nan 8.250 nan 0.000 0.441 270 D N -0.209 120.172 120.400 -0.030 0.000 2.087 270 D HA -0.160 4.480 4.640 -0.001 0.000 0.192 270 D C 1.843 178.165 176.300 0.036 0.000 0.993 270 D CA 1.724 55.741 54.000 0.028 0.000 0.828 270 D CB 0.028 40.912 40.800 0.140 0.000 0.968 270 D HN 0.078 nan 8.370 nan 0.000 0.448 271 V N -0.124 119.839 119.914 0.082 0.000 2.295 271 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 271 V C 2.596 178.714 176.094 0.039 0.000 1.049 271 V CA 1.387 63.735 62.300 0.080 0.000 1.024 271 V CB -0.388 31.495 31.823 0.101 0.000 0.648 271 V HN 0.182 nan 8.190 nan 0.000 0.447 272 V N 1.061 120.988 119.914 0.022 0.000 2.515 272 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 272 V C 2.711 178.811 176.094 0.009 0.000 1.058 272 V CA 1.988 64.303 62.300 0.026 0.000 1.064 272 V CB -0.823 31.034 31.823 0.055 0.000 0.675 272 V HN 0.779 nan 8.190 nan 0.000 0.461 273 S N 0.857 116.537 115.700 -0.034 0.000 2.400 273 S HA -0.227 4.242 4.470 -0.001 0.000 0.232 273 S C 1.929 176.528 174.600 -0.001 0.000 1.025 273 S CA 1.439 59.620 58.200 -0.031 0.000 0.993 273 S CB -0.383 62.778 63.200 -0.065 0.000 0.808 273 S HN 0.658 nan 8.310 nan 0.000 0.478 274 R N 0.963 121.467 120.500 0.006 0.000 2.362 274 R HA 0.321 4.661 4.340 -0.001 0.000 0.227 274 R C -0.319 175.992 176.300 0.017 0.000 0.905 274 R CA 0.048 56.155 56.100 0.011 0.000 1.067 274 R CB 0.204 30.511 30.300 0.012 0.000 1.078 274 R HN 0.387 nan 8.270 nan 0.000 0.516 275 N N 1.211 119.924 118.700 0.022 0.000 2.725 275 N HA 0.191 4.931 4.740 -0.001 0.000 0.248 275 N C -2.902 172.624 175.510 0.028 0.000 1.402 275 N CA -1.206 51.858 53.050 0.023 0.000 0.766 275 N CB 1.894 40.397 38.487 0.027 0.000 1.223 275 N HN -0.123 nan 8.380 nan 0.000 0.515 276 P HA 0.069 nan 4.420 nan 0.000 0.264 276 P C 1.094 178.412 177.300 0.030 0.000 1.193 276 P CA 0.938 64.059 63.100 0.034 0.000 0.763 276 P CB 0.498 32.216 31.700 0.029 0.000 0.810 277 G N 1.809 110.631 108.800 0.036 0.000 2.179 277 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 277 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 277 G C 0.472 175.386 174.900 0.024 0.000 0.977 277 G CA 0.005 45.122 45.100 0.029 0.000 0.641 277 G HN 0.866 nan 8.290 nan 0.000 0.533 278 A N 0.114 122.950 122.820 0.028 0.000 2.540 278 A HA 0.457 4.776 4.320 -0.001 0.000 0.239 278 A C 0.371 177.967 177.584 0.020 0.000 1.061 278 A CA 0.638 52.687 52.037 0.020 0.000 0.758 278 A CB 0.214 19.230 19.000 0.027 0.000 0.991 278 A HN 0.316 nan 8.150 nan 0.000 0.502 279 D N 0.887 121.288 120.400 0.001 0.000 2.389 279 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 279 D C -0.135 176.167 176.300 0.003 0.000 1.128 279 D CA 0.623 54.617 54.000 -0.009 0.000 0.884 279 D CB 0.523 41.295 40.800 -0.048 0.000 1.194 279 D HN 0.248 nan 8.370 nan 0.000 0.441 280 I N 3.657 124.246 120.570 0.031 0.000 2.468 280 I HA 0.318 4.487 4.170 -0.001 0.000 0.285 280 I C 0.023 176.188 176.117 0.081 0.000 1.039 280 I CA -0.505 60.833 61.300 0.064 0.000 1.074 280 I CB 1.148 39.217 38.000 0.114 0.000 1.228 280 I HN 0.220 nan 8.210 nan 0.000 0.436 281 I N 7.003 127.576 120.570 0.004 0.000 2.428 281 I HA 0.451 4.620 4.170 -0.001 0.000 0.296 281 I C -0.493 175.639 176.117 0.024 0.000 0.985 281 I CA -0.525 60.708 61.300 -0.113 0.000 1.260 281 I CB 1.122 39.014 38.000 -0.180 0.000 1.389 281 I HN 0.431 nan 8.210 nan 0.000 0.484 282 F N 2.692 122.636 119.950 -0.011 0.000 2.626 282 F HA 0.570 5.096 4.527 -0.001 0.000 0.311 282 F C -0.677 175.120 175.800 -0.005 0.000 1.088 282 F CA -1.324 56.673 58.000 -0.005 0.000 0.949 282 F CB 0.716 39.700 39.000 -0.027 0.000 1.322 282 F HN 0.421 nan 8.300 nan 0.000 0.461 283 D N 0.720 121.192 120.400 0.119 0.000 2.423 283 D HA 0.161 4.800 4.640 -0.001 0.000 0.255 283 D C 1.227 177.544 176.300 0.028 0.000 1.174 283 D CA -0.277 53.730 54.000 0.012 0.000 1.008 283 D CB 1.578 42.389 40.800 0.018 0.000 1.101 283 D HN 0.699 nan 8.370 nan 0.000 0.516 284 V N -1.900 117.973 119.914 -0.068 0.000 3.186 284 V HA -0.127 3.992 4.120 -0.001 0.000 0.270 284 V C 1.599 177.618 176.094 -0.125 0.000 1.149 284 V CA 1.027 63.257 62.300 -0.116 0.000 1.160 284 V CB -1.127 30.619 31.823 -0.128 0.000 0.758 284 V HN 0.462 nan 8.190 nan 0.000 0.516 285 K N -0.473 119.917 120.400 -0.016 0.000 2.444 285 K HA 0.206 4.526 4.320 -0.001 0.000 0.193 285 K C 0.581 177.245 176.600 0.107 0.000 1.024 285 K CA 0.155 56.495 56.287 0.088 0.000 1.077 285 K CB 0.031 32.586 32.500 0.092 0.000 0.833 285 K HN 0.527 nan 8.250 nan 0.000 0.517 286 C N 1.005 120.282 119.300 -0.038 0.000 2.398 286 C HA 0.168 4.627 4.460 -0.001 0.000 0.364 286 C C 1.060 175.924 174.990 -0.210 0.000 1.219 286 C CA -0.915 58.084 59.018 -0.032 0.000 2.312 286 C CB 1.089 28.832 27.740 0.005 0.000 2.428 286 C HN 0.322 nan 8.230 nan 0.000 0.564 287 T N 1.527 116.070 114.554 -0.018 0.000 2.934 287 T HA 0.023 4.372 4.350 -0.001 0.000 0.306 287 T C 1.566 176.123 174.700 -0.238 0.000 1.042 287 T CA 0.078 62.219 62.100 0.069 0.000 1.145 287 T CB 0.280 69.220 68.868 0.121 0.000 0.982 287 T HN 0.842 nan 8.240 nan 0.000 0.544 288 R N 4.272 124.628 120.500 -0.241 0.000 2.200 288 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 288 R C 1.850 178.064 176.300 -0.143 0.000 1.127 288 R CA 0.875 56.825 56.100 -0.251 0.000 0.989 288 R CB -0.135 30.114 30.300 -0.086 0.000 0.869 288 R HN 0.464 nan 8.270 nan 0.000 0.459 289 R N 0.930 121.394 120.500 -0.060 0.000 2.120 289 R HA -0.072 4.268 4.340 -0.001 0.000 0.234 289 R C 2.194 178.418 176.300 -0.128 0.000 1.123 289 R CA 0.827 56.897 56.100 -0.050 0.000 0.975 289 R CB -0.697 29.608 30.300 0.008 0.000 0.866 289 R HN 0.308 nan 8.270 nan 0.000 0.446 290 L N 1.018 122.102 121.223 -0.230 0.000 2.093 290 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 290 L C 2.004 178.654 176.870 -0.367 0.000 1.085 290 L CA 1.408 56.058 54.840 -0.317 0.000 0.755 290 L CB -0.291 41.506 42.059 -0.437 0.000 0.904 290 L HN 0.020 nan 8.230 nan 0.000 0.435 291 I N -0.207 120.103 120.570 -0.433 0.000 2.142 291 I HA -0.287 3.882 4.170 -0.001 0.000 0.240 291 I C 2.630 178.682 176.117 -0.108 0.000 1.078 291 I CA 1.278 62.410 61.300 -0.280 0.000 1.343 291 I CB -0.943 36.938 38.000 -0.198 0.000 1.046 291 I HN 0.341 nan 8.210 nan 0.000 0.405 292 A N 0.912 123.676 122.820 -0.093 0.000 1.933 292 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 292 A C 2.378 179.924 177.584 -0.064 0.000 1.175 292 A CA 1.514 53.517 52.037 -0.057 0.000 0.628 292 A CB -0.843 18.132 19.000 -0.041 0.000 0.814 292 A HN 0.464 nan 8.150 nan 0.000 0.444 293 L N -0.484 120.698 121.223 -0.068 0.000 2.046 293 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 293 L C 2.312 179.199 176.870 0.028 0.000 1.077 293 L CA 1.600 56.413 54.840 -0.045 0.000 0.747 293 L CB -0.239 41.815 42.059 -0.009 0.000 0.896 293 L HN 0.426 nan 8.230 nan 0.000 0.432 294 I N -0.878 119.711 120.570 0.032 0.000 2.179 294 I HA -0.303 3.866 4.170 -0.001 0.000 0.242 294 I C 2.496 178.664 176.117 0.085 0.000 1.088 294 I CA 1.448 62.805 61.300 0.095 0.000 1.357 294 I CB -0.377 37.666 38.000 0.071 0.000 1.051 294 I HN 0.203 nan 8.210 nan 0.000 0.409 295 S N 0.692 116.412 115.700 0.033 0.000 2.370 295 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 295 S C 2.131 176.729 174.600 -0.003 0.000 1.033 295 S CA 1.414 59.627 58.200 0.021 0.000 1.011 295 S CB -0.799 62.405 63.200 0.006 0.000 0.852 295 S HN 0.659 nan 8.310 nan 0.000 0.457 296 G N -0.335 108.424 108.800 -0.068 0.000 2.432 296 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.219 296 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.219 296 G C 0.841 175.640 174.900 -0.168 0.000 1.135 296 G CA 0.505 45.509 45.100 -0.161 0.000 0.767 296 G HN 0.525 nan 8.290 nan 0.000 0.550 297 Y N 0.298 120.616 120.300 0.030 0.000 2.490 297 Y HA 0.341 4.890 4.550 -0.001 0.000 0.281 297 Y C 2.041 177.958 175.900 0.028 0.000 1.174 297 Y CA -0.362 57.758 58.100 0.034 0.000 1.295 297 Y CB 0.175 38.660 38.460 0.042 0.000 1.062 297 Y HN 0.283 nan 8.280 nan 0.000 0.522 298 G N -0.352 108.529 108.800 0.135 0.000 2.132 298 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.234 298 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.234 298 G C 0.656 175.606 174.900 0.083 0.000 0.989 298 G CA -0.056 45.098 45.100 0.090 0.000 0.676 298 G HN 0.726 nan 8.290 nan 0.000 0.522 299 G N -0.970 107.890 108.800 0.100 0.000 2.522 299 G HA2 0.608 4.568 3.960 -0.001 0.000 0.304 299 G HA3 0.608 4.568 3.960 -0.001 0.000 0.304 299 G C -0.052 174.886 174.900 0.064 0.000 1.210 299 G CA -0.437 44.711 45.100 0.080 0.000 0.960 299 G HN 0.559 nan 8.290 nan 0.000 0.497 300 R N 1.110 121.642 120.500 0.054 0.000 2.275 300 R HA 0.368 4.708 4.340 -0.001 0.000 0.326 300 R C -2.471 173.870 176.300 0.067 0.000 0.973 300 R CA -1.743 54.383 56.100 0.043 0.000 0.854 300 R CB 1.686 31.995 30.300 0.015 0.000 1.156 300 R HN 0.287 nan 8.270 nan 0.000 0.487 301 P HA 0.078 nan 4.420 nan 0.000 0.281 301 P C -0.912 176.451 177.300 0.105 0.000 1.252 301 P CA -0.210 63.032 63.100 0.238 0.000 0.778 301 P CB 1.614 33.498 31.700 0.306 0.000 0.895 302 V N 5.349 125.227 119.914 -0.061 0.000 2.380 302 V HA 0.300 4.419 4.120 -0.001 0.000 0.286 302 V C 0.449 176.125 176.094 -0.698 0.000 1.015 302 V CA -0.602 61.541 62.300 -0.263 0.000 0.834 302 V CB 1.399 33.094 31.823 -0.214 0.000 1.009 302 V HN 0.616 nan 8.190 nan 0.000 0.428 303 M N 5.616 124.826 119.600 -0.650 0.000 2.211 303 M HA 0.428 4.907 4.480 -0.001 0.000 0.356 303 M C -0.970 175.226 176.300 -0.173 0.000 1.216 303 M CA 0.194 55.032 55.300 -0.769 0.000 1.134 303 M CB 1.109 33.492 32.600 -0.362 0.000 1.564 303 M HN 0.813 nan 8.290 nan 0.000 0.463 304 W N 3.897 124.930 121.300 -0.444 0.000 3.018 304 W HA 0.371 5.030 4.660 -0.002 0.000 0.382 304 W C -1.009 175.397 176.519 -0.188 0.000 1.161 304 W CA -0.899 56.283 57.345 -0.272 0.000 1.144 304 W CB 1.565 30.866 29.460 -0.265 0.000 1.499 304 W HN 0.495 nan 8.180 nan 0.000 0.596 305 K N 1.548 121.356 120.400 -0.986 0.000 2.414 305 K HA 0.124 4.443 4.320 -0.001 0.000 0.272 305 K C 0.177 176.611 176.600 -0.277 0.000 0.993 305 K CA 0.452 56.345 56.287 -0.657 0.000 0.964 305 K CB 0.516 32.523 32.500 -0.822 0.000 0.925 305 K HN 0.150 nan 8.250 nan 0.000 0.487 306 T N 1.559 116.020 114.554 -0.154 0.000 2.940 306 T HA 0.328 4.678 4.350 -0.001 0.000 0.309 306 T C 0.314 174.897 174.700 -0.195 0.000 1.056 306 T CA 0.474 62.529 62.100 -0.076 0.000 1.137 306 T CB 0.633 69.519 68.868 0.030 0.000 0.976 306 T HN 0.792 nan 8.240 nan 0.000 0.547 307 G N 1.986 110.554 108.800 -0.387 0.000 3.239 307 G HA2 0.014 3.974 3.960 -0.001 0.000 0.666 307 G HA3 0.014 3.974 3.960 -0.001 0.000 0.666 307 G C 0.085 174.628 174.900 -0.594 0.000 1.313 307 G CA -0.005 44.441 45.100 -1.089 0.000 1.001 307 G HN 1.026 nan 8.290 nan 0.000 0.573 308 H N 0.848 119.644 119.070 -0.456 0.000 2.319 308 H HA -0.127 4.428 4.556 -0.001 0.000 0.299 308 H C 2.580 177.932 175.328 0.041 0.000 1.092 308 H CA 2.888 58.917 56.048 -0.031 0.000 1.302 308 H CB -0.201 29.491 29.762 -0.117 0.000 1.373 308 H HN 0.758 nan 8.280 nan 0.000 0.497 309 S N 0.992 116.295 115.700 -0.662 0.000 2.402 309 S HA -0.060 4.409 4.470 -0.001 0.000 0.229 309 S C 2.125 176.664 174.600 -0.102 0.000 1.021 309 S CA 1.115 59.155 58.200 -0.266 0.000 0.974 309 S CB -0.526 62.513 63.200 -0.267 0.000 0.800 309 S HN 0.438 nan 8.310 nan 0.000 0.484 310 L N 0.685 121.839 121.223 -0.116 0.000 2.056 310 L HA 0.039 4.378 4.340 -0.001 0.000 0.207 310 L C 2.509 179.432 176.870 0.089 0.000 1.078 310 L CA 1.127 55.993 54.840 0.042 0.000 0.749 310 L CB -0.644 41.437 42.059 0.037 0.000 0.901 310 L HN 0.274 nan 8.230 nan 0.000 0.433 311 I N -0.118 120.417 120.570 -0.059 0.000 2.315 311 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 311 I C 2.527 178.459 176.117 -0.310 0.000 1.117 311 I CA 1.309 62.478 61.300 -0.218 0.000 1.404 311 I CB -0.216 37.452 38.000 -0.553 0.000 1.071 311 I HN 0.182 nan 8.210 nan 0.000 0.419 312 K N 0.863 121.145 120.400 -0.196 0.000 2.057 312 K HA -0.171 4.148 4.320 -0.001 0.000 0.207 312 K C 2.116 178.672 176.600 -0.074 0.000 1.049 312 K CA 1.286 57.529 56.287 -0.073 0.000 0.931 312 K CB -0.060 32.495 32.500 0.092 0.000 0.714 312 K HN 0.242 nan 8.250 nan 0.000 0.440 313 K N 0.728 121.092 120.400 -0.060 0.000 2.057 313 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 313 K C 2.105 178.614 176.600 -0.152 0.000 1.049 313 K CA 1.267 57.515 56.287 -0.066 0.000 0.931 313 K CB -0.039 32.452 32.500 -0.014 0.000 0.714 313 K HN -0.103 nan 8.250 nan 0.000 0.440 314 K N 0.808 121.067 120.400 -0.235 0.000 2.097 314 K HA -0.014 4.306 4.320 -0.001 0.000 0.205 314 K C 1.998 178.402 176.600 -0.326 0.000 1.050 314 K CA 1.086 57.103 56.287 -0.449 0.000 0.938 314 K CB 0.008 32.041 32.500 -0.780 0.000 0.718 314 K HN -0.009 nan 8.250 nan 0.000 0.442 315 M N 0.705 120.162 119.600 -0.239 0.000 2.082 315 M HA -0.218 4.261 4.480 -0.001 0.000 0.258 315 M C 2.422 178.646 176.300 -0.126 0.000 1.069 315 M CA 2.537 57.737 55.300 -0.166 0.000 1.102 315 M CB -1.104 31.429 32.600 -0.112 0.000 1.336 315 M HN 0.280 nan 8.290 nan 0.000 0.404 316 K N 0.536 120.872 120.400 -0.108 0.000 2.097 316 K HA -0.149 4.170 4.320 -0.001 0.000 0.206 316 K C 1.704 178.241 176.600 -0.105 0.000 1.049 316 K CA 1.831 58.069 56.287 -0.081 0.000 0.933 316 K CB -1.126 31.339 32.500 -0.059 0.000 0.717 316 K HN 0.623 nan 8.250 nan 0.000 0.442 317 E N 0.028 120.137 120.200 -0.152 0.000 2.150 317 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 317 E C 2.188 178.690 176.600 -0.163 0.000 0.985 317 E CA 1.670 57.971 56.400 -0.165 0.000 0.814 317 E CB 0.078 29.640 29.700 -0.232 0.000 0.752 317 E HN 0.821 nan 8.360 nan 0.000 0.466 318 T N -3.839 110.607 114.554 -0.179 0.000 3.014 318 T HA 0.252 4.602 4.350 -0.001 0.000 0.250 318 T C 1.570 176.206 174.700 -0.107 0.000 1.060 318 T CA 0.345 62.351 62.100 -0.158 0.000 1.040 318 T CB 0.729 69.480 68.868 -0.195 0.000 0.971 318 T HN 0.222 nan 8.240 nan 0.000 0.497 319 G N 1.892 110.637 108.800 -0.092 0.000 2.153 319 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.252 319 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.252 319 G C 0.341 175.209 174.900 -0.053 0.000 0.994 319 G CA 0.009 45.072 45.100 -0.062 0.000 0.698 319 G HN 1.224 nan 8.290 nan 0.000 0.521 320 A N -0.594 122.183 122.820 -0.072 0.000 2.561 320 A HA 0.544 4.863 4.320 -0.001 0.000 0.234 320 A C 1.476 179.044 177.584 -0.026 0.000 1.055 320 A CA 0.782 52.785 52.037 -0.057 0.000 0.756 320 A CB 0.217 19.164 19.000 -0.088 0.000 0.986 320 A HN 0.849 nan 8.150 nan 0.000 0.505 321 L N 0.931 122.150 121.223 -0.006 0.000 2.529 321 L HA 0.246 4.585 4.340 -0.001 0.000 0.223 321 L C 0.007 176.889 176.870 0.021 0.000 1.113 321 L CA 0.363 55.215 54.840 0.021 0.000 0.861 321 L CB -0.123 41.955 42.059 0.033 0.000 1.012 321 L HN 0.656 nan 8.230 nan 0.000 0.461 322 L N -0.462 120.750 121.223 -0.018 0.000 2.545 322 L HA 0.768 5.107 4.340 -0.001 0.000 0.258 322 L C -1.527 175.319 176.870 -0.040 0.000 0.942 322 L CA -0.272 54.517 54.840 -0.085 0.000 0.855 322 L CB 1.868 43.842 42.059 -0.143 0.000 1.374 322 L HN -0.138 nan 8.230 nan 0.000 0.411 323 A N 2.173 124.991 122.820 -0.004 0.000 2.539 323 A HA 1.025 5.344 4.320 -0.001 0.000 0.296 323 A C -0.705 177.019 177.584 0.235 0.000 1.073 323 A CA -0.033 52.018 52.037 0.023 0.000 0.700 323 A CB 1.836 20.702 19.000 -0.222 0.000 1.296 323 A HN 1.308 nan 8.150 nan 0.000 0.405 324 G N -0.101 108.846 108.800 0.246 0.000 2.704 324 G HA2 0.611 4.570 3.960 -0.001 0.000 0.293 324 G HA3 0.611 4.570 3.960 -0.001 0.000 0.293 324 G C -1.429 173.664 174.900 0.321 0.000 1.421 324 G CA -0.517 44.806 45.100 0.372 0.000 0.870 324 G HN 0.693 nan 8.290 nan 0.000 0.492 325 E N 0.460 120.882 120.200 0.372 0.000 2.263 325 E HA 0.308 4.658 4.350 -0.001 0.000 0.264 325 E C 0.734 177.471 176.600 0.230 0.000 0.923 325 E CA -1.171 55.398 56.400 0.282 0.000 0.802 325 E CB 2.364 32.260 29.700 0.328 0.000 1.228 325 E HN 0.382 nan 8.360 nan 0.000 0.417 326 M N 1.446 121.153 119.600 0.179 0.000 2.374 326 M HA -0.121 4.358 4.480 -0.001 0.000 0.264 326 M C 1.699 178.095 176.300 0.161 0.000 1.067 326 M CA 1.548 56.939 55.300 0.152 0.000 1.103 326 M CB -0.155 32.515 32.600 0.117 0.000 1.402 326 M HN 0.475 nan 8.290 nan 0.000 0.444 327 S N -1.215 114.600 115.700 0.192 0.000 2.555 327 S HA 0.253 4.723 4.470 -0.001 0.000 0.230 327 S C 1.634 176.318 174.600 0.140 0.000 0.978 327 S CA 0.489 58.803 58.200 0.189 0.000 0.934 327 S CB -0.761 62.608 63.200 0.281 0.000 0.766 327 S HN 0.833 nan 8.310 nan 0.000 0.533 328 G N 0.587 109.476 108.800 0.148 0.000 2.179 328 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.220 328 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.220 328 G C -0.133 174.778 174.900 0.018 0.000 0.990 328 G CA -0.149 44.986 45.100 0.059 0.000 0.646 328 G HN 0.661 nan 8.290 nan 0.000 0.517 329 H N 0.235 119.377 119.070 0.121 0.000 2.819 329 H HA 0.439 4.994 4.556 -0.001 0.000 0.303 329 H C -0.273 175.080 175.328 0.042 0.000 1.058 329 H CA 0.440 56.493 56.048 0.009 0.000 1.471 329 H CB 1.525 31.300 29.762 0.022 0.000 1.480 329 H HN 0.109 nan 8.280 nan 0.000 0.517 330 V N 5.700 125.625 119.914 0.018 0.000 2.588 330 V HA 0.212 4.331 4.120 -0.001 0.000 0.304 330 V C -0.671 175.455 176.094 0.053 0.000 1.042 330 V CA -0.738 61.656 62.300 0.157 0.000 0.877 330 V CB 1.398 33.360 31.823 0.232 0.000 0.996 330 V HN 0.486 nan 8.190 nan 0.000 0.425 331 F N 4.323 124.320 119.950 0.078 0.000 2.434 331 F HA 0.582 5.109 4.527 -0.001 0.000 0.367 331 F C -0.378 175.416 175.800 -0.009 0.000 1.093 331 F CA -0.952 57.130 58.000 0.136 0.000 1.085 331 F CB 0.789 39.870 39.000 0.134 0.000 1.322 331 F HN 0.261 nan 8.300 nan 0.000 0.452 332 F N 2.712 122.818 119.950 0.261 0.000 2.424 332 F HA 0.348 4.874 4.527 -0.001 0.000 0.356 332 F C 1.402 177.320 175.800 0.196 0.000 1.110 332 F CA -0.363 57.749 58.000 0.186 0.000 1.161 332 F CB 1.514 40.624 39.000 0.183 0.000 1.115 332 F HN 0.353 nan 8.300 nan 0.000 0.507 333 K N 1.815 122.365 120.400 0.250 0.000 2.168 333 K HA 0.005 4.324 4.320 -0.001 0.000 0.201 333 K C 0.527 177.202 176.600 0.124 0.000 1.049 333 K CA 0.473 56.843 56.287 0.138 0.000 0.974 333 K CB 0.027 32.568 32.500 0.067 0.000 0.792 333 K HN 0.538 nan 8.250 nan 0.000 0.463 334 E N 1.723 122.022 120.200 0.166 0.000 2.480 334 E HA -0.070 4.279 4.350 -0.001 0.000 0.258 334 E C -0.604 176.087 176.600 0.150 0.000 0.984 334 E CA 0.350 56.829 56.400 0.131 0.000 0.930 334 E CB 0.164 29.949 29.700 0.142 0.000 0.936 334 E HN 0.277 nan 8.360 nan 0.000 0.466 335 R N 1.534 122.068 120.500 0.056 0.000 4.000 335 R HA -0.216 4.123 4.340 -0.001 0.000 0.362 335 R C -0.079 176.252 176.300 0.051 0.000 1.183 335 R CA 1.668 57.792 56.100 0.041 0.000 1.011 335 R CB -1.529 28.811 30.300 0.067 0.000 1.501 335 R HN 0.759 nan 8.270 nan 0.000 0.553 336 W N -1.901 119.161 121.300 -0.396 0.000 3.690 336 W HA 0.358 5.017 4.660 -0.001 0.000 0.395 336 W C -0.596 175.446 176.519 -0.795 0.000 1.113 336 W CA -0.521 56.411 57.345 -0.689 0.000 1.158 336 W CB 0.375 29.462 29.460 -0.621 0.000 1.555 336 W HN -0.177 nan 8.180 nan 0.000 0.628 337 F N 0.459 120.018 119.950 -0.652 0.000 2.784 337 F HA 0.306 4.832 4.527 -0.001 0.000 0.323 337 F C 1.420 177.062 175.800 -0.264 0.000 1.085 337 F CA 0.846 58.534 58.000 -0.520 0.000 1.196 337 F CB 0.941 39.529 39.000 -0.687 0.000 1.053 337 F HN 0.587 nan 8.300 nan 0.000 0.578 338 G N 0.871 109.644 108.800 -0.045 0.000 2.176 338 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.232 338 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.232 338 G C 0.184 175.256 174.900 0.287 0.000 0.986 338 G CA -0.011 45.171 45.100 0.136 0.000 0.643 338 G HN 0.261 nan 8.290 nan 0.000 0.522 339 F N 1.815 121.990 119.950 0.374 0.000 2.380 339 F HA 0.699 5.225 4.527 -0.001 0.000 0.321 339 F C 0.306 176.343 175.800 0.395 0.000 1.103 339 F CA -2.060 56.159 58.000 0.366 0.000 1.067 339 F CB 0.439 39.558 39.000 0.198 0.000 1.265 339 F HN 0.102 nan 8.300 nan 0.000 0.517 340 D N 0.545 121.184 120.400 0.399 0.000 2.389 340 D HA 0.255 4.894 4.640 -0.001 0.000 0.247 340 D C -1.017 175.556 176.300 0.454 0.000 1.128 340 D CA -0.003 53.943 54.000 -0.089 0.000 0.884 340 D CB 1.254 41.665 40.800 -0.649 0.000 1.194 340 D HN 0.662 nan 8.370 nan 0.000 0.441 341 D N 0.612 121.225 120.400 0.355 0.000 2.419 341 D HA 0.215 4.854 4.640 -0.001 0.000 0.219 341 D C 0.957 177.449 176.300 0.321 0.000 1.349 341 D CA -0.632 53.645 54.000 0.460 0.000 0.964 341 D CB 1.177 42.425 40.800 0.747 0.000 1.463 341 D HN 0.389 nan 8.370 nan 0.000 0.573 342 G N 2.533 111.493 108.800 0.266 0.000 2.422 342 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.218 342 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.218 342 G C 1.592 176.740 174.900 0.414 0.000 1.140 342 G CA 0.562 45.859 45.100 0.328 0.000 0.775 342 G HN 0.564 nan 8.290 nan 0.000 0.545 343 I N -1.024 119.699 120.570 0.255 0.000 2.233 343 I HA -0.071 4.098 4.170 -0.001 0.000 0.243 343 I C 2.400 178.556 176.117 0.065 0.000 1.093 343 I CA 0.852 62.217 61.300 0.108 0.000 1.380 343 I CB -0.278 37.731 38.000 0.015 0.000 1.067 343 I HN 0.164 nan 8.210 nan 0.000 0.413 344 Y N 1.638 121.886 120.300 -0.087 0.000 2.181 344 Y HA -0.262 4.287 4.550 -0.001 0.000 0.288 344 Y C 2.758 178.423 175.900 -0.391 0.000 1.146 344 Y CA 1.671 59.510 58.100 -0.435 0.000 1.164 344 Y CB -0.304 37.659 38.460 -0.829 0.000 0.982 344 Y HN 0.049 nan 8.280 nan 0.000 0.515 345 S N 0.301 115.921 115.700 -0.134 0.000 2.368 345 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 345 S C 2.295 176.895 174.600 -0.000 0.000 1.030 345 S CA 1.053 59.212 58.200 -0.070 0.000 0.999 345 S CB -0.851 62.518 63.200 0.282 0.000 0.844 345 S HN 0.638 nan 8.310 nan 0.000 0.459 346 A N 1.716 124.580 122.820 0.074 0.000 1.908 346 A HA 0.018 4.337 4.320 -0.001 0.000 0.218 346 A C 2.379 179.933 177.584 -0.051 0.000 1.181 346 A CA 1.846 53.936 52.037 0.089 0.000 0.627 346 A CB -1.166 17.973 19.000 0.232 0.000 0.818 346 A HN 0.530 nan 8.150 nan 0.000 0.445 347 A N -0.624 122.065 122.820 -0.218 0.000 1.902 347 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 347 A C 2.217 179.565 177.584 -0.394 0.000 1.181 347 A CA 1.518 53.359 52.037 -0.326 0.000 0.623 347 A CB -0.451 18.273 19.000 -0.459 0.000 0.818 347 A HN 0.396 nan 8.150 nan 0.000 0.443 348 R N -0.927 119.197 120.500 -0.628 0.000 2.096 348 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 348 R C 2.057 178.314 176.300 -0.072 0.000 1.127 348 R CA 1.357 57.102 56.100 -0.591 0.000 0.968 348 R CB -1.237 28.335 30.300 -1.213 0.000 0.861 348 R HN 0.552 nan 8.270 nan 0.000 0.440 349 L N 1.028 122.354 121.223 0.171 0.000 2.027 349 L HA -0.086 4.253 4.340 -0.001 0.000 0.206 349 L C 2.146 179.067 176.870 0.085 0.000 1.074 349 L CA 1.550 56.563 54.840 0.289 0.000 0.745 349 L CB -0.632 41.596 42.059 0.282 0.000 0.898 349 L HN 0.058 nan 8.230 nan 0.000 0.433 350 L N -0.437 120.795 121.223 0.015 0.000 2.079 350 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 350 L C 2.598 179.444 176.870 -0.040 0.000 1.081 350 L CA 1.719 56.548 54.840 -0.018 0.000 0.752 350 L CB -0.693 41.342 42.059 -0.040 0.000 0.896 350 L HN 0.465 nan 8.230 nan 0.000 0.433 351 E N 0.873 121.029 120.200 -0.074 0.000 2.038 351 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 351 E C 2.278 178.851 176.600 -0.045 0.000 1.000 351 E CA 1.615 57.967 56.400 -0.080 0.000 0.803 351 E CB -0.074 29.547 29.700 -0.132 0.000 0.750 351 E HN 0.462 nan 8.360 nan 0.000 0.448 352 I N 0.719 121.280 120.570 -0.016 0.000 2.202 352 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 352 I C 2.435 178.532 176.117 -0.033 0.000 1.091 352 I CA 0.844 62.140 61.300 -0.007 0.000 1.368 352 I CB -0.172 37.854 38.000 0.043 0.000 1.058 352 I HN 0.204 nan 8.210 nan 0.000 0.410 353 L N 0.351 121.556 121.223 -0.030 0.000 2.141 353 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 353 L C 2.743 179.591 176.870 -0.037 0.000 1.094 353 L CA 1.562 56.375 54.840 -0.045 0.000 0.763 353 L CB -0.627 41.421 42.059 -0.019 0.000 0.908 353 L HN 0.380 nan 8.230 nan 0.000 0.437 354 S N -0.957 114.724 115.700 -0.031 0.000 2.447 354 S HA -0.190 4.279 4.470 -0.001 0.000 0.233 354 S C 1.676 176.256 174.600 -0.033 0.000 1.006 354 S CA 0.664 58.846 58.200 -0.030 0.000 0.957 354 S CB -0.201 62.980 63.200 -0.032 0.000 0.773 354 S HN 0.516 nan 8.310 nan 0.000 0.507 355 Q N 0.615 120.393 119.800 -0.036 0.000 2.360 355 Q HA 0.253 4.592 4.340 -0.001 0.000 0.202 355 Q C -0.404 175.572 176.000 -0.040 0.000 0.915 355 Q CA 0.082 55.864 55.803 -0.036 0.000 0.943 355 Q CB 0.233 28.950 28.738 -0.035 0.000 1.064 355 Q HN 0.513 nan 8.270 nan 0.000 0.511 356 D N -0.457 119.916 120.400 -0.046 0.000 2.278 356 D HA 0.140 4.779 4.640 -0.001 0.000 0.245 356 D C 0.617 176.889 176.300 -0.046 0.000 1.052 356 D CA 0.077 54.045 54.000 -0.053 0.000 0.834 356 D CB 1.567 42.324 40.800 -0.073 0.000 1.194 356 D HN 0.126 nan 8.370 nan 0.000 0.481 357 Q N 3.633 123.406 119.800 -0.046 0.000 2.297 357 Q HA -0.063 4.276 4.340 -0.001 0.000 0.204 357 Q C 1.088 177.061 176.000 -0.046 0.000 0.962 357 Q CA 0.922 56.699 55.803 -0.043 0.000 0.879 357 Q CB -0.281 28.430 28.738 -0.044 0.000 0.947 357 Q HN 0.480 nan 8.270 nan 0.000 0.462 358 R N 1.871 122.340 120.500 -0.052 0.000 2.637 358 R HA 0.364 4.703 4.340 -0.001 0.000 0.269 358 R C -0.353 175.944 176.300 -0.006 0.000 1.089 358 R CA -0.224 55.849 56.100 -0.045 0.000 1.177 358 R CB 0.431 30.703 30.300 -0.047 0.000 1.091 358 R HN 0.675 nan 8.270 nan 0.000 0.540 359 D N -0.356 120.070 120.400 0.044 0.000 2.371 359 D HA -0.057 4.582 4.640 -0.001 0.000 0.242 359 D C 0.763 177.106 176.300 0.072 0.000 1.218 359 D CA -0.364 53.677 54.000 0.069 0.000 0.945 359 D CB 0.665 41.525 40.800 0.101 0.000 1.137 359 D HN 0.446 nan 8.370 nan 0.000 0.464 360 S N -0.430 115.310 115.700 0.066 0.000 2.399 360 S HA -0.264 4.205 4.470 -0.001 0.000 0.231 360 S C 1.630 176.326 174.600 0.161 0.000 1.022 360 S CA 1.173 59.433 58.200 0.100 0.000 0.983 360 S CB -0.510 62.776 63.200 0.143 0.000 0.803 360 S HN 0.600 nan 8.310 nan 0.000 0.480 361 E N 1.644 121.901 120.200 0.094 0.000 2.085 361 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 361 E C 1.703 178.267 176.600 -0.059 0.000 0.994 361 E CA 1.810 58.217 56.400 0.012 0.000 0.801 361 E CB -0.625 29.020 29.700 -0.092 0.000 0.743 361 E HN 0.814 nan 8.360 nan 0.000 0.453 362 H N -1.208 117.871 119.070 0.015 0.000 2.436 362 H HA 0.065 4.621 4.556 -0.001 0.000 0.294 362 H C 2.002 177.278 175.328 -0.087 0.000 1.048 362 H CA 1.145 57.177 56.048 -0.028 0.000 1.353 362 H CB 0.175 29.911 29.762 -0.043 0.000 1.414 362 H HN 0.012 nan 8.280 nan 0.000 0.536 363 V N 0.148 120.047 119.914 -0.025 0.000 2.287 363 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 363 V C 1.763 177.689 176.094 -0.280 0.000 1.053 363 V CA 1.864 64.028 62.300 -0.226 0.000 1.027 363 V CB -0.548 31.070 31.823 -0.342 0.000 0.646 363 V HN 0.366 nan 8.190 nan 0.000 0.447 364 F N 0.764 120.731 119.950 0.027 0.000 2.293 364 F HA -0.093 4.433 4.527 -0.001 0.000 0.297 364 F C 2.677 178.533 175.800 0.095 0.000 1.089 364 F CA 1.152 59.233 58.000 0.136 0.000 1.377 364 F CB -0.386 38.663 39.000 0.082 0.000 1.051 364 F HN 0.236 nan 8.300 nan 0.000 0.511 365 S N 0.204 115.991 115.700 0.145 0.000 2.481 365 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 365 S C 2.035 176.646 174.600 0.018 0.000 0.996 365 S CA 0.584 58.824 58.200 0.067 0.000 0.942 365 S CB -0.556 62.625 63.200 -0.032 0.000 0.768 365 S HN 0.230 nan 8.310 nan 0.000 0.520 366 A N 0.831 123.594 122.820 -0.094 0.000 2.015 366 A HA 0.251 4.570 4.320 -0.001 0.000 0.219 366 A C 0.545 178.013 177.584 -0.192 0.000 1.163 366 A CA 0.379 52.295 52.037 -0.201 0.000 0.646 366 A CB -0.696 18.088 19.000 -0.361 0.000 0.806 366 A HN 0.509 nan 8.150 nan 0.000 0.448 367 F N 0.279 120.263 119.950 0.057 0.000 2.418 367 F HA 0.396 4.922 4.527 -0.001 0.000 0.341 367 F C -1.898 173.933 175.800 0.051 0.000 1.120 367 F CA -2.563 55.474 58.000 0.061 0.000 1.232 367 F CB -0.077 38.975 39.000 0.087 0.000 1.175 367 F HN -0.050 nan 8.300 nan 0.000 0.569 368 P HA 0.097 nan 4.420 nan 0.000 0.267 368 P C -0.845 176.535 177.300 0.134 0.000 1.200 368 P CA 0.102 63.286 63.100 0.140 0.000 0.772 368 P CB 0.665 32.429 31.700 0.108 0.000 0.855 369 S N 1.110 116.868 115.700 0.096 0.000 2.548 369 S HA 0.532 5.002 4.470 -0.001 0.000 0.286 369 S C -0.913 173.723 174.600 0.061 0.000 1.098 369 S CA -0.529 57.720 58.200 0.082 0.000 0.930 369 S CB 1.219 64.464 63.200 0.075 0.000 1.070 369 S HN 0.335 nan 8.310 nan 0.000 0.480 370 D N 0.855 121.288 120.400 0.054 0.000 2.497 370 D HA 0.503 5.143 4.640 -0.001 0.000 0.243 370 D C -0.468 175.837 176.300 0.009 0.000 1.039 370 D CA -0.497 53.525 54.000 0.036 0.000 1.052 370 D CB 1.102 41.934 40.800 0.054 0.000 1.344 370 D HN 0.349 nan 8.370 nan 0.000 0.553 371 I N 1.031 121.593 120.570 -0.013 0.000 2.416 371 I HA 0.213 4.382 4.170 -0.001 0.000 0.288 371 I C 0.492 176.564 176.117 -0.074 0.000 1.051 371 I CA 0.141 61.419 61.300 -0.036 0.000 1.375 371 I CB 0.634 38.611 38.000 -0.038 0.000 1.407 371 I HN 0.224 nan 8.210 nan 0.000 0.516 372 S N 2.830 118.477 115.700 -0.088 0.000 2.595 372 S HA 0.676 5.145 4.470 -0.001 0.000 0.281 372 S C -0.325 174.192 174.600 -0.138 0.000 1.117 372 S CA -0.852 57.262 58.200 -0.144 0.000 0.873 372 S CB 1.811 64.920 63.200 -0.152 0.000 1.108 372 S HN 0.636 nan 8.310 nan 0.000 0.477 373 T N -0.189 114.273 114.554 -0.154 0.000 2.922 373 T HA 0.654 5.003 4.350 -0.001 0.000 0.285 373 T C -2.636 171.974 174.700 -0.150 0.000 1.005 373 T CA -1.640 60.393 62.100 -0.111 0.000 1.061 373 T CB 0.269 69.110 68.868 -0.045 0.000 1.007 373 T HN 0.594 nan 8.240 nan 0.000 0.502 374 P HA 0.178 nan 4.420 nan 0.000 0.269 374 P C -0.109 177.126 177.300 -0.108 0.000 1.209 374 P CA -0.299 62.727 63.100 -0.124 0.000 0.776 374 P CB 0.362 32.023 31.700 -0.065 0.000 0.876 375 E N 1.571 121.702 120.200 -0.115 0.000 2.529 375 E HA 0.027 4.376 4.350 -0.001 0.000 0.259 375 E C -0.390 176.172 176.600 -0.064 0.000 0.966 375 E CA 0.208 56.550 56.400 -0.097 0.000 0.937 375 E CB -0.082 29.580 29.700 -0.064 0.000 0.923 375 E HN 0.305 nan 8.360 nan 0.000 0.468 376 I N 4.495 125.016 120.570 -0.082 0.000 2.392 376 I HA 0.270 4.439 4.170 -0.001 0.000 0.295 376 I C -0.287 175.819 176.117 -0.019 0.000 0.985 376 I CA -0.756 60.523 61.300 -0.034 0.000 1.221 376 I CB 1.506 39.474 38.000 -0.054 0.000 1.366 376 I HN 0.449 nan 8.210 nan 0.000 0.467 377 N N 6.393 125.108 118.700 0.025 0.000 2.284 377 N HA 0.615 5.354 4.740 -0.001 0.000 0.300 377 N C -1.098 174.453 175.510 0.067 0.000 1.047 377 N CA -0.415 52.657 53.050 0.035 0.000 0.821 377 N CB 2.330 40.837 38.487 0.033 0.000 1.337 377 N HN 0.387 nan 8.380 nan 0.000 0.482 378 I N 1.033 121.646 120.570 0.072 0.000 2.418 378 I HA 0.248 4.417 4.170 -0.001 0.000 0.287 378 I C -0.036 176.114 176.117 0.055 0.000 1.008 378 I CA -0.597 60.755 61.300 0.087 0.000 1.104 378 I CB 1.736 39.812 38.000 0.128 0.000 1.264 378 I HN 0.220 nan 8.210 nan 0.000 0.438 379 T N 6.297 120.879 114.554 0.047 0.000 2.779 379 T HA 0.334 4.683 4.350 -0.001 0.000 0.296 379 T C 0.584 175.300 174.700 0.027 0.000 0.938 379 T CA -0.413 61.706 62.100 0.032 0.000 1.119 379 T CB 0.930 69.817 68.868 0.032 0.000 0.891 379 T HN 0.472 nan 8.240 nan 0.000 0.526 380 V N 1.343 121.264 119.914 0.011 0.000 6.168 380 V HA 0.844 4.963 4.120 -0.001 0.000 0.275 380 V C 0.395 176.487 176.094 -0.004 0.000 1.598 380 V CA -0.675 61.627 62.300 0.005 0.000 0.646 380 V CB 0.827 32.648 31.823 -0.003 0.000 1.463 380 V HN 0.824 nan 8.190 nan 0.000 0.394 381 T N -3.169 111.376 114.554 -0.016 0.000 2.924 381 T HA 0.526 4.875 4.350 -0.001 0.000 0.291 381 T C 0.504 175.177 174.700 -0.044 0.000 1.045 381 T CA 0.313 62.403 62.100 -0.016 0.000 1.015 381 T CB 2.079 70.946 68.868 -0.001 0.000 1.103 381 T HN 0.784 nan 8.240 nan 0.000 0.496 382 E N 0.544 120.725 120.200 -0.033 0.000 2.118 382 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 382 E C 1.073 177.649 176.600 -0.041 0.000 0.992 382 E CA 1.624 57.993 56.400 -0.052 0.000 0.804 382 E CB -0.326 29.372 29.700 -0.002 0.000 0.741 382 E HN 0.686 nan 8.360 nan 0.000 0.458 383 D N -1.361 119.040 120.400 0.002 0.000 2.340 383 D HA 0.037 4.677 4.640 -0.001 0.000 0.220 383 D C 1.055 177.377 176.300 0.037 0.000 1.039 383 D CA 0.868 54.892 54.000 0.040 0.000 0.866 383 D CB 0.346 41.172 40.800 0.043 0.000 0.913 383 D HN 0.258 nan 8.370 nan 0.000 0.523 384 S N -0.584 115.114 115.700 -0.002 0.000 2.549 384 S HA -0.002 4.467 4.470 -0.001 0.000 0.225 384 S C 1.686 176.268 174.600 -0.029 0.000 1.039 384 S CA -0.370 57.833 58.200 0.006 0.000 0.942 384 S CB 0.214 63.418 63.200 0.008 0.000 0.881 384 S HN 0.186 nan 8.310 nan 0.000 0.503 385 K N 1.122 121.437 120.400 -0.141 0.000 2.057 385 K HA -0.035 4.285 4.320 -0.001 0.000 0.207 385 K C 1.457 177.944 176.600 -0.189 0.000 1.049 385 K CA 1.415 57.566 56.287 -0.226 0.000 0.931 385 K CB -0.851 31.411 32.500 -0.397 0.000 0.714 385 K HN 0.410 nan 8.250 nan 0.000 0.440 386 F N 1.859 121.824 119.950 0.025 0.000 2.186 386 F HA -0.047 4.479 4.527 -0.001 0.000 0.299 386 F C 2.778 178.594 175.800 0.026 0.000 1.090 386 F CA 0.696 58.709 58.000 0.021 0.000 1.307 386 F CB -0.227 38.780 39.000 0.011 0.000 1.019 386 F HN 0.160 nan 8.300 nan 0.000 0.489 387 A N 0.509 123.434 122.820 0.176 0.000 1.969 387 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 387 A C 2.134 179.772 177.584 0.090 0.000 1.169 387 A CA 1.248 53.354 52.037 0.115 0.000 0.635 387 A CB -0.967 18.084 19.000 0.085 0.000 0.810 387 A HN 0.402 nan 8.150 nan 0.000 0.445 388 I N -0.005 120.609 120.570 0.074 0.000 2.179 388 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 388 I C 2.112 178.287 176.117 0.097 0.000 1.088 388 I CA 0.878 62.221 61.300 0.073 0.000 1.357 388 I CB -0.284 37.752 38.000 0.059 0.000 1.051 388 I HN 0.228 nan 8.210 nan 0.000 0.409 389 I N 0.831 121.466 120.570 0.109 0.000 2.226 389 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 389 I C 2.451 178.640 176.117 0.120 0.000 1.100 389 I CA 1.696 63.072 61.300 0.127 0.000 1.374 389 I CB -1.266 36.820 38.000 0.143 0.000 1.057 389 I HN 0.334 nan 8.210 nan 0.000 0.413 390 E N 0.911 121.179 120.200 0.114 0.000 2.077 390 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 390 E C 2.347 178.995 176.600 0.080 0.000 0.989 390 E CA 1.415 57.869 56.400 0.089 0.000 0.800 390 E CB -0.144 29.605 29.700 0.081 0.000 0.746 390 E HN 0.497 nan 8.360 nan 0.000 0.452 391 A N 0.966 123.833 122.820 0.078 0.000 1.902 391 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 391 A C 2.170 179.797 177.584 0.073 0.000 1.181 391 A CA 1.046 53.120 52.037 0.063 0.000 0.623 391 A CB -0.589 18.443 19.000 0.053 0.000 0.818 391 A HN 0.130 nan 8.150 nan 0.000 0.443 392 L N -0.894 120.394 121.223 0.108 0.000 2.046 392 L HA -0.258 4.081 4.340 -0.001 0.000 0.208 392 L C 2.879 179.864 176.870 0.191 0.000 1.077 392 L CA 1.656 56.593 54.840 0.161 0.000 0.747 392 L CB -0.595 41.617 42.059 0.256 0.000 0.896 392 L HN 0.466 nan 8.230 nan 0.000 0.432 393 Q N -0.538 119.355 119.800 0.156 0.000 2.170 393 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 393 Q C 2.360 178.424 176.000 0.107 0.000 0.976 393 Q CA 1.279 57.164 55.803 0.137 0.000 0.858 393 Q CB -0.042 28.750 28.738 0.091 0.000 0.907 393 Q HN 0.446 nan 8.270 nan 0.000 0.433 394 R N 0.030 120.577 120.500 0.078 0.000 2.075 394 R HA -0.061 4.278 4.340 -0.001 0.000 0.226 394 R C 1.062 177.385 176.300 0.038 0.000 1.114 394 R CA 1.254 57.385 56.100 0.052 0.000 0.972 394 R CB 0.212 30.535 30.300 0.039 0.000 0.869 394 R HN 0.249 nan 8.270 nan 0.000 0.437 395 D N -0.262 120.155 120.400 0.027 0.000 2.422 395 D HA 0.127 4.767 4.640 -0.001 0.000 0.218 395 D C 0.253 176.507 176.300 -0.077 0.000 1.047 395 D CA 0.173 54.163 54.000 -0.017 0.000 0.885 395 D CB 0.241 41.027 40.800 -0.023 0.000 1.035 395 D HN 0.091 nan 8.370 nan 0.000 0.502 396 A N 0.389 123.152 122.820 -0.094 0.000 2.351 396 A HA 0.558 4.877 4.320 -0.001 0.000 0.257 396 A C 0.349 177.648 177.584 -0.475 0.000 1.087 396 A CA 0.062 51.877 52.037 -0.371 0.000 0.798 396 A CB 0.121 18.820 19.000 -0.502 0.000 1.033 396 A HN 0.133 nan 8.150 nan 0.000 0.488 397 Q N -0.298 119.071 119.800 -0.719 0.000 2.337 397 Q HA 0.533 4.872 4.340 -0.001 0.000 0.270 397 Q C -0.560 175.026 176.000 -0.690 0.000 1.043 397 Q CA -0.466 55.041 55.803 -0.493 0.000 0.794 397 Q CB 0.813 29.405 28.738 -0.243 0.000 1.281 397 Q HN 0.946 nan 8.270 nan 0.000 0.446 398 W N 1.280 122.594 121.300 0.024 0.000 2.870 398 W HA 0.483 5.141 4.660 -0.002 0.000 0.358 398 W C 1.194 177.832 176.519 0.198 0.000 1.043 398 W CA 0.345 57.737 57.345 0.078 0.000 1.692 398 W CB 0.979 30.465 29.460 0.044 0.000 1.100 398 W HN 1.479 nan 8.180 nan 0.000 0.557 399 G N 1.794 110.754 108.800 0.266 0.000 2.697 399 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.240 399 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.240 399 G C -0.447 174.632 174.900 0.298 0.000 1.346 399 G CA -0.294 44.955 45.100 0.248 0.000 0.887 399 G HN 0.148 nan 8.290 nan 0.000 0.569 400 E N 0.602 120.963 120.200 0.268 0.000 2.299 400 E HA 0.546 4.896 4.350 -0.001 0.000 0.272 400 E C 0.668 177.449 176.600 0.301 0.000 1.043 400 E CA 1.263 57.802 56.400 0.232 0.000 0.895 400 E CB 0.191 29.996 29.700 0.175 0.000 1.011 400 E HN 1.925 nan 8.360 nan 0.000 0.432 401 G N 3.411 112.297 108.800 0.144 0.000 2.328 401 G HA2 0.147 4.106 3.960 -0.001 0.000 0.295 401 G HA3 0.147 4.106 3.960 -0.001 0.000 0.295 401 G C -1.495 173.369 174.900 -0.060 0.000 1.413 401 G CA -1.096 43.989 45.100 -0.026 0.000 0.817 401 G HN 0.455 nan 8.290 nan 0.000 0.546 402 N N 0.478 119.109 118.700 -0.115 0.000 2.420 402 N HA 0.411 5.151 4.740 -0.001 0.000 0.249 402 N C -0.299 175.132 175.510 -0.132 0.000 1.033 402 N CA -0.119 52.882 53.050 -0.082 0.000 0.944 402 N CB 1.509 39.962 38.487 -0.057 0.000 1.113 402 N HN 0.411 nan 8.380 nan 0.000 0.502 403 I N 1.326 121.835 120.570 -0.103 0.000 2.353 403 I HA 0.207 4.376 4.170 -0.001 0.000 0.293 403 I C 0.273 176.325 176.117 -0.108 0.000 0.992 403 I CA -0.175 61.038 61.300 -0.145 0.000 1.268 403 I CB 1.170 39.114 38.000 -0.093 0.000 1.387 403 I HN 0.170 nan 8.210 nan 0.000 0.478 404 T N 2.990 117.463 114.554 -0.134 0.000 2.809 404 T HA 0.292 4.641 4.350 -0.001 0.000 0.284 404 T C 0.536 175.171 174.700 -0.109 0.000 0.992 404 T CA -0.566 61.473 62.100 -0.101 0.000 0.957 404 T CB 1.235 70.040 68.868 -0.105 0.000 0.942 404 T HN 0.753 nan 8.240 nan 0.000 0.439 405 T N 0.090 114.598 114.554 -0.076 0.000 3.228 405 T HA 0.140 4.489 4.350 -0.001 0.000 0.278 405 T C 1.694 176.342 174.700 -0.086 0.000 1.014 405 T CA -0.421 61.639 62.100 -0.067 0.000 0.904 405 T CB -0.563 68.290 68.868 -0.026 0.000 1.110 405 T HN 0.412 nan 8.240 nan 0.000 0.541 406 L N -1.417 119.732 121.223 -0.124 0.000 2.201 406 L HA 0.422 4.761 4.340 -0.001 0.000 0.212 406 L C 0.260 176.953 176.870 -0.293 0.000 1.105 406 L CA 1.202 55.913 54.840 -0.215 0.000 0.775 406 L CB -0.413 41.486 42.059 -0.266 0.000 0.913 406 L HN 0.118 nan 8.230 nan 0.000 0.440 407 D N -0.167 120.100 120.400 -0.222 0.000 2.328 407 D HA 0.461 5.100 4.640 -0.001 0.000 0.243 407 D C 0.487 176.737 176.300 -0.083 0.000 1.324 407 D CA 0.659 54.554 54.000 -0.174 0.000 0.966 407 D CB 0.769 41.432 40.800 -0.227 0.000 1.324 407 D HN 0.450 nan 8.370 nan 0.000 0.549 408 G N 1.436 110.218 108.800 -0.030 0.000 2.509 408 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.259 408 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.259 408 G C -0.869 174.020 174.900 -0.019 0.000 1.169 408 G CA 0.080 45.185 45.100 0.009 0.000 0.953 408 G HN 0.898 nan 8.290 nan 0.000 0.563 409 V N 0.996 120.891 119.914 -0.032 0.000 2.525 409 V HA 0.709 4.828 4.120 -0.001 0.000 0.299 409 V C 0.262 176.269 176.094 -0.146 0.000 1.034 409 V CA -0.177 62.035 62.300 -0.147 0.000 0.863 409 V CB 1.579 33.246 31.823 -0.259 0.000 0.999 409 V HN 0.953 nan 8.190 nan 0.000 0.423 410 R N 3.505 123.908 120.500 -0.163 0.000 2.562 410 R HA 0.849 5.188 4.340 -0.001 0.000 0.298 410 R C -1.804 174.391 176.300 -0.175 0.000 0.961 410 R CA -0.420 55.628 56.100 -0.087 0.000 0.881 410 R CB 2.089 32.339 30.300 -0.084 0.000 1.159 410 R HN 0.517 nan 8.270 nan 0.000 0.450 411 V N 3.409 123.269 119.914 -0.091 0.000 2.487 411 V HA 0.292 4.411 4.120 -0.001 0.000 0.298 411 V C -1.034 174.917 176.094 -0.239 0.000 1.028 411 V CA -0.835 61.299 62.300 -0.278 0.000 0.860 411 V CB 1.867 33.436 31.823 -0.424 0.000 0.991 411 V HN 0.838 nan 8.190 nan 0.000 0.427 412 D N 3.536 123.776 120.400 -0.266 0.000 2.349 412 D HA 0.555 5.194 4.640 -0.001 0.000 0.232 412 D C -0.876 175.316 176.300 -0.181 0.000 1.071 412 D CA -0.077 53.863 54.000 -0.100 0.000 0.832 412 D CB 1.078 41.847 40.800 -0.050 0.000 1.086 412 D HN 0.464 nan 8.370 nan 0.000 0.504 413 Y N 1.856 122.266 120.300 0.184 0.000 2.519 413 Y HA 0.292 4.841 4.550 -0.001 0.000 0.324 413 Y C -1.145 174.828 175.900 0.122 0.000 1.214 413 Y CA -2.059 56.130 58.100 0.149 0.000 1.260 413 Y CB 0.436 38.993 38.460 0.162 0.000 1.311 413 Y HN 0.347 nan 8.280 nan 0.000 0.505 414 P HA -0.166 nan 4.420 nan 0.000 0.216 414 P C 0.857 178.251 177.300 0.156 0.000 1.150 414 P CA 2.386 65.587 63.100 0.168 0.000 0.843 414 P CB 0.160 31.941 31.700 0.136 0.000 0.787 415 K N -0.893 119.612 120.400 0.175 0.000 2.413 415 K HA 0.570 4.890 4.320 -0.001 0.000 0.204 415 K C 0.706 177.397 176.600 0.152 0.000 1.041 415 K CA 0.570 56.935 56.287 0.131 0.000 1.082 415 K CB 0.417 32.966 32.500 0.083 0.000 0.871 415 K HN 0.378 nan 8.250 nan 0.000 0.535 416 G N -0.378 108.568 108.800 0.243 0.000 2.342 416 G HA2 0.514 4.474 3.960 -0.001 0.000 0.297 416 G HA3 0.514 4.474 3.960 -0.001 0.000 0.297 416 G C -1.760 173.405 174.900 0.443 0.000 1.313 416 G CA -0.076 45.174 45.100 0.250 0.000 0.830 416 G HN 0.689 nan 8.290 nan 0.000 0.506 417 W N -0.695 120.716 121.300 0.186 0.000 3.074 417 W HA 0.793 5.452 4.660 -0.001 0.000 0.332 417 W C -0.497 176.077 176.519 0.092 0.000 1.253 417 W CA -1.096 56.344 57.345 0.159 0.000 1.180 417 W CB 1.292 30.761 29.460 0.014 0.000 1.445 417 W HN 1.484 nan 8.180 nan 0.000 0.573 418 G N 0.962 109.889 108.800 0.211 0.000 2.660 418 G HA2 0.695 4.655 3.960 -0.001 0.000 0.294 418 G HA3 0.695 4.655 3.960 -0.001 0.000 0.294 418 G C -2.614 172.115 174.900 -0.284 0.000 1.369 418 G CA -0.962 43.850 45.100 -0.478 0.000 0.912 418 G HN 0.738 nan 8.290 nan 0.000 0.479 419 L N 1.004 121.843 121.223 -0.639 0.000 2.455 419 L HA 0.861 5.200 4.340 -0.001 0.000 0.264 419 L C -1.413 175.307 176.870 -0.250 0.000 0.968 419 L CA -0.965 53.764 54.840 -0.184 0.000 0.827 419 L CB 2.241 44.314 42.059 0.023 0.000 1.317 419 L HN 0.684 nan 8.230 nan 0.000 0.407 420 V N 5.835 125.787 119.914 0.063 0.000 2.638 420 V HA 0.897 5.017 4.120 -0.001 0.000 0.306 420 V C -1.062 175.066 176.094 0.057 0.000 1.052 420 V CA -0.198 62.147 62.300 0.075 0.000 0.885 420 V CB 1.818 33.803 31.823 0.268 0.000 0.999 420 V HN 1.069 nan 8.190 nan 0.000 0.424 421 R N 5.090 125.608 120.500 0.030 0.000 2.734 421 R HA 0.887 5.226 4.340 -0.001 0.000 0.271 421 R C -1.057 175.262 176.300 0.031 0.000 1.021 421 R CA -0.524 55.598 56.100 0.037 0.000 0.893 421 R CB 1.802 32.113 30.300 0.019 0.000 1.244 421 R HN 0.911 nan 8.270 nan 0.000 0.464 422 A N 1.283 124.127 122.820 0.041 0.000 2.328 422 A HA 0.382 4.701 4.320 -0.001 0.000 0.284 422 A C 0.148 177.737 177.584 0.008 0.000 1.160 422 A CA -0.335 51.681 52.037 -0.034 0.000 0.818 422 A CB 0.964 19.874 19.000 -0.150 0.000 1.087 422 A HN 0.672 nan 8.150 nan 0.000 0.504 423 S N 1.455 117.144 115.700 -0.019 0.000 2.560 423 S HA 0.039 4.508 4.470 -0.001 0.000 0.284 423 S C 0.723 175.324 174.600 0.001 0.000 1.327 423 S CA -0.079 58.137 58.200 0.026 0.000 1.055 423 S CB -0.176 63.040 63.200 0.025 0.000 0.868 423 S HN 0.690 nan 8.310 nan 0.000 0.506 424 N N 1.336 120.046 118.700 0.016 0.000 2.235 424 N HA 0.116 4.855 4.740 -0.001 0.000 0.209 424 N C 0.819 176.228 175.510 -0.168 0.000 1.122 424 N CA 0.379 53.357 53.050 -0.121 0.000 0.845 424 N CB 0.633 38.865 38.487 -0.425 0.000 1.004 424 N HN 0.758 nan 8.380 nan 0.000 0.499 425 T N -4.158 110.383 114.554 -0.021 0.000 2.975 425 T HA 0.123 4.473 4.350 -0.001 0.000 0.261 425 T C 0.566 175.304 174.700 0.064 0.000 0.984 425 T CA 0.022 62.147 62.100 0.042 0.000 0.911 425 T CB 0.251 69.206 68.868 0.145 0.000 1.127 425 T HN 0.067 nan 8.240 nan 0.000 0.514 426 T N -0.425 114.155 114.554 0.043 0.000 2.843 426 T HA 0.578 4.927 4.350 -0.001 0.000 0.302 426 T C -3.315 171.383 174.700 -0.004 0.000 1.232 426 T CA -1.600 60.525 62.100 0.041 0.000 1.009 426 T CB 1.920 70.825 68.868 0.061 0.000 1.254 426 T HN -0.185 nan 8.240 nan 0.000 0.504 427 P HA 0.340 nan 4.420 nan 0.000 0.218 427 P C -0.188 177.091 177.300 -0.036 0.000 1.793 427 P CA -0.226 62.851 63.100 -0.038 0.000 0.941 427 P CB -0.465 31.227 31.700 -0.013 0.000 1.919 428 V N -1.266 118.623 119.914 -0.043 0.000 3.078 428 V HA 0.534 4.654 4.120 -0.001 0.000 0.311 428 V C -0.815 175.261 176.094 -0.031 0.000 1.138 428 V CA -1.433 60.857 62.300 -0.018 0.000 1.007 428 V CB 2.376 34.206 31.823 0.013 0.000 1.045 428 V HN -0.091 nan 8.190 nan 0.000 0.432 429 L N 2.804 124.026 121.223 -0.001 0.000 2.326 429 L HA 0.644 4.983 4.340 -0.001 0.000 0.278 429 L C -0.417 176.460 176.870 0.011 0.000 1.092 429 L CA -0.702 54.145 54.840 0.011 0.000 0.810 429 L CB 1.608 43.698 42.059 0.051 0.000 1.153 429 L HN 0.555 nan 8.230 nan 0.000 0.439 430 V N 4.708 124.620 119.914 -0.004 0.000 2.435 430 V HA 0.484 4.603 4.120 -0.001 0.000 0.290 430 V C -0.097 175.940 176.094 -0.095 0.000 1.030 430 V CA -0.469 61.812 62.300 -0.031 0.000 0.881 430 V CB 1.794 33.611 31.823 -0.009 0.000 0.983 430 V HN 0.449 nan 8.190 nan 0.000 0.445 431 L N 5.158 126.270 121.223 -0.185 0.000 2.370 431 L HA 0.740 5.079 4.340 -0.001 0.000 0.266 431 L C -0.141 176.425 176.870 -0.508 0.000 1.002 431 L CA -0.390 54.202 54.840 -0.414 0.000 0.818 431 L CB 2.103 43.828 42.059 -0.557 0.000 1.325 431 L HN 0.504 nan 8.230 nan 0.000 0.418 432 R N 1.085 121.114 120.500 -0.784 0.000 2.698 432 R HA 0.758 5.097 4.340 -0.001 0.000 0.275 432 R C -1.918 173.550 176.300 -1.386 0.000 1.001 432 R CA -0.705 54.938 56.100 -0.762 0.000 0.896 432 R CB 2.157 32.251 30.300 -0.343 0.000 1.218 432 R HN 0.457 nan 8.270 nan 0.000 0.462 433 F N 0.411 119.927 119.950 -0.722 0.000 2.591 433 F HA 0.432 4.958 4.527 -0.001 0.000 0.309 433 F C -0.206 175.093 175.800 -0.835 0.000 1.098 433 F CA -0.650 56.850 58.000 -0.834 0.000 0.937 433 F CB 2.481 41.158 39.000 -0.537 0.000 1.250 433 F HN 0.374 nan 8.300 nan 0.000 0.447 434 E N 1.558 121.284 120.200 -0.789 0.000 2.352 434 E HA 0.838 5.187 4.350 -0.001 0.000 0.280 434 E C -1.886 174.528 176.600 -0.310 0.000 0.930 434 E CA -0.788 55.289 56.400 -0.538 0.000 0.765 434 E CB 2.463 31.794 29.700 -0.615 0.000 1.219 434 E HN 0.849 nan 8.360 nan 0.000 0.434 435 A N 1.862 124.606 122.820 -0.127 0.000 2.610 435 A HA 0.569 4.888 4.320 -0.001 0.000 0.291 435 A C 0.104 177.687 177.584 -0.002 0.000 1.086 435 A CA 0.252 52.269 52.037 -0.033 0.000 0.677 435 A CB 0.877 19.855 19.000 -0.036 0.000 1.278 435 A HN 0.702 nan 8.150 nan 0.000 0.414 436 D N -0.522 119.893 120.400 0.025 0.000 2.178 436 D HA 0.321 4.961 4.640 -0.001 0.000 0.202 436 D C 0.948 177.254 176.300 0.009 0.000 0.974 436 D CA 2.141 56.157 54.000 0.026 0.000 0.841 436 D CB -0.260 40.563 40.800 0.038 0.000 0.953 436 D HN 1.441 nan 8.370 nan 0.000 0.478 437 T N -4.714 109.839 114.554 -0.001 0.000 2.906 437 T HA 0.434 4.784 4.350 -0.001 0.000 0.295 437 T C 0.412 175.097 174.700 -0.025 0.000 1.075 437 T CA -0.469 61.625 62.100 -0.010 0.000 1.005 437 T CB 2.161 71.025 68.868 -0.007 0.000 1.136 437 T HN -0.063 nan 8.240 nan 0.000 0.498 438 E N 0.813 120.996 120.200 -0.028 0.000 2.118 438 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 438 E C 2.504 179.078 176.600 -0.044 0.000 0.992 438 E CA 1.905 58.282 56.400 -0.038 0.000 0.804 438 E CB -0.682 28.999 29.700 -0.032 0.000 0.741 438 E HN 0.951 nan 8.360 nan 0.000 0.458 439 E N 1.536 121.715 120.200 -0.035 0.000 2.051 439 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 439 E C 1.862 178.435 176.600 -0.046 0.000 0.991 439 E CA 1.704 58.082 56.400 -0.036 0.000 0.799 439 E CB -0.603 29.081 29.700 -0.026 0.000 0.748 439 E HN 0.250 nan 8.360 nan 0.000 0.449 440 E N -0.283 119.893 120.200 -0.041 0.000 2.106 440 E HA -0.055 4.294 4.350 -0.001 0.000 0.192 440 E C 1.966 178.524 176.600 -0.070 0.000 0.984 440 E CA 0.991 57.362 56.400 -0.048 0.000 0.806 440 E CB -0.354 29.333 29.700 -0.022 0.000 0.750 440 E HN 0.418 nan 8.360 nan 0.000 0.458 441 L N 0.938 122.116 121.223 -0.075 0.000 2.012 441 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 441 L C 2.230 179.008 176.870 -0.153 0.000 1.073 441 L CA 2.180 56.952 54.840 -0.113 0.000 0.748 441 L CB -0.618 41.377 42.059 -0.107 0.000 0.891 441 L HN 0.158 nan 8.230 nan 0.000 0.431 442 E N -0.372 119.758 120.200 -0.116 0.000 2.106 442 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 442 E C 2.405 178.945 176.600 -0.099 0.000 0.984 442 E CA 1.185 57.517 56.400 -0.113 0.000 0.806 442 E CB -0.233 29.420 29.700 -0.079 0.000 0.750 442 E HN 0.417 nan 8.360 nan 0.000 0.458 443 R N -0.021 120.428 120.500 -0.085 0.000 2.073 443 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 443 R C 2.339 178.601 176.300 -0.062 0.000 1.134 443 R CA 1.651 57.706 56.100 -0.074 0.000 0.952 443 R CB -0.349 29.898 30.300 -0.089 0.000 0.850 443 R HN 0.263 nan 8.270 nan 0.000 0.433 444 I N 0.817 121.338 120.570 -0.081 0.000 2.252 444 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 444 I C 2.291 178.462 176.117 0.090 0.000 1.102 444 I CA 1.389 62.710 61.300 0.035 0.000 1.385 444 I CB -0.182 37.864 38.000 0.078 0.000 1.064 444 I HN 0.156 nan 8.210 nan 0.000 0.414 445 K N 0.216 120.469 120.400 -0.245 0.000 2.063 445 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 445 K C 2.111 178.765 176.600 0.089 0.000 1.048 445 K CA 1.918 57.990 56.287 -0.359 0.000 0.928 445 K CB -0.324 31.926 32.500 -0.417 0.000 0.713 445 K HN 0.293 nan 8.250 nan 0.000 0.442 446 T N 1.010 115.585 114.554 0.035 0.000 2.746 446 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 446 T C 1.984 176.768 174.700 0.140 0.000 1.039 446 T CA 1.156 63.289 62.100 0.054 0.000 1.142 446 T CB -0.188 68.679 68.868 -0.001 0.000 0.866 446 T HN -0.050 nan 8.240 nan 0.000 0.444 447 V N 0.790 120.830 119.914 0.209 0.000 2.287 447 V HA -0.166 3.954 4.120 -0.001 0.000 0.248 447 V C 2.131 178.430 176.094 0.341 0.000 1.053 447 V CA 1.758 64.211 62.300 0.254 0.000 1.027 447 V CB -0.732 31.308 31.823 0.363 0.000 0.646 447 V HN 0.390 nan 8.190 nan 0.000 0.447 448 F N 0.123 120.327 119.950 0.423 0.000 2.146 448 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 448 F C 2.568 178.643 175.800 0.458 0.000 1.096 448 F CA 1.341 59.692 58.000 0.586 0.000 1.275 448 F CB -0.553 38.894 39.000 0.746 0.000 1.008 448 F HN -0.033 nan 8.300 nan 0.000 0.480 449 R N 0.138 120.953 120.500 0.526 0.000 2.083 449 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 449 R C 1.915 178.279 176.300 0.107 0.000 1.137 449 R CA 1.682 57.898 56.100 0.193 0.000 0.951 449 R CB -0.573 29.681 30.300 -0.076 0.000 0.851 449 R HN 0.254 nan 8.270 nan 0.000 0.434 450 N N 0.228 118.971 118.700 0.072 0.000 2.244 450 N HA -0.120 4.619 4.740 -0.001 0.000 0.183 450 N C 1.760 177.241 175.510 -0.048 0.000 1.016 450 N CA 0.957 54.005 53.050 -0.005 0.000 0.866 450 N CB -0.100 38.372 38.487 -0.025 0.000 0.980 450 N HN 0.193 nan 8.380 nan 0.000 0.430 451 Q N 0.571 120.320 119.800 -0.085 0.000 2.123 451 Q HA 0.088 4.427 4.340 -0.001 0.000 0.199 451 Q C 2.322 178.290 176.000 -0.054 0.000 0.966 451 Q CA 0.467 56.138 55.803 -0.220 0.000 0.845 451 Q CB -0.360 27.994 28.738 -0.640 0.000 0.907 451 Q HN 0.411 nan 8.270 nan 0.000 0.439 452 L N 0.625 121.902 121.223 0.090 0.000 2.046 452 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 452 L C 2.239 179.147 176.870 0.063 0.000 1.077 452 L CA 1.102 56.021 54.840 0.132 0.000 0.747 452 L CB -0.357 41.844 42.059 0.236 0.000 0.896 452 L HN 0.089 nan 8.230 nan 0.000 0.432 453 K N 0.042 120.463 120.400 0.036 0.000 2.211 453 K HA -0.050 4.270 4.320 -0.001 0.000 0.203 453 K C 2.097 178.691 176.600 -0.010 0.000 1.050 453 K CA 1.256 57.547 56.287 0.008 0.000 0.945 453 K CB -0.369 32.126 32.500 -0.009 0.000 0.732 453 K HN 0.278 nan 8.250 nan 0.000 0.451 454 A N 0.851 123.653 122.820 -0.030 0.000 1.930 454 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 454 A C 2.461 180.028 177.584 -0.029 0.000 1.175 454 A CA 1.214 53.224 52.037 -0.046 0.000 0.627 454 A CB -0.430 18.517 19.000 -0.088 0.000 0.815 454 A HN 0.046 nan 8.150 nan 0.000 0.443 455 V N -0.019 119.887 119.914 -0.015 0.000 2.323 455 V HA -0.055 4.064 4.120 -0.001 0.000 0.244 455 V C 0.614 176.716 176.094 0.014 0.000 1.041 455 V CA 1.986 64.289 62.300 0.006 0.000 1.025 455 V CB -0.345 31.495 31.823 0.029 0.000 0.656 455 V HN 0.669 nan 8.190 nan 0.000 0.451 456 D N -1.629 118.783 120.400 0.020 0.000 2.375 456 D HA 0.164 4.803 4.640 -0.001 0.000 0.241 456 D C 0.935 177.245 176.300 0.016 0.000 1.361 456 D CA 0.463 54.475 54.000 0.020 0.000 0.995 456 D CB 1.589 42.407 40.800 0.029 0.000 1.312 456 D HN 0.143 nan 8.370 nan 0.000 0.576 457 S N 1.607 117.310 115.700 0.006 0.000 2.469 457 S HA -0.182 4.288 4.470 -0.001 0.000 0.238 457 S C 1.669 176.271 174.600 0.002 0.000 0.998 457 S CA 1.304 59.504 58.200 0.000 0.000 0.957 457 S CB -0.269 62.928 63.200 -0.006 0.000 0.764 457 S HN 0.377 nan 8.310 nan 0.000 0.514 458 S N 0.652 116.357 115.700 0.008 0.000 2.528 458 S HA 0.275 4.745 4.470 -0.001 0.000 0.219 458 S C 0.565 175.176 174.600 0.017 0.000 0.985 458 S CA -0.546 57.660 58.200 0.010 0.000 0.914 458 S CB -0.733 62.474 63.200 0.010 0.000 0.776 458 S HN 0.505 nan 8.310 nan 0.000 0.526 459 L N 2.677 123.917 121.223 0.027 0.000 2.490 459 L HA 0.264 4.604 4.340 -0.001 0.000 0.274 459 L C -2.248 174.645 176.870 0.038 0.000 1.201 459 L CA -1.805 53.061 54.840 0.044 0.000 0.869 459 L CB 0.065 42.166 42.059 0.070 0.000 1.123 459 L HN 0.103 nan 8.230 nan 0.000 0.484 460 P HA 0.020 nan 4.420 nan 0.000 0.268 460 P C -0.735 176.595 177.300 0.050 0.000 1.205 460 P CA -0.097 63.025 63.100 0.037 0.000 0.771 460 P CB 0.658 32.389 31.700 0.052 0.000 0.858 461 V N 0.796 120.688 119.914 -0.036 0.000 2.313 461 V HA 0.364 4.483 4.120 -0.001 0.000 0.262 461 V C -2.262 173.664 176.094 -0.280 0.000 1.011 461 V CA -1.721 60.464 62.300 -0.193 0.000 0.858 461 V CB 1.039 32.652 31.823 -0.349 0.000 1.104 461 V HN 0.406 nan 8.190 nan 0.000 0.456 462 P HA 0.381 nan 4.420 nan 0.000 0.220 462 P C -0.587 176.812 177.300 0.164 0.000 1.793 462 P CA 0.122 63.251 63.100 0.048 0.000 0.917 462 P CB -0.634 31.130 31.700 0.107 0.000 1.755 463 F N 0.000 119.961 119.950 0.018 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 463 F CB 0.000 39.025 39.000 0.042 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574