REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3iyf_1_J DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.088 176.094 -0.010 0.000 1.182 7 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 7 V CB 0.000 31.819 31.823 -0.008 0.000 1.184 8 L N 3.108 124.323 121.223 -0.013 0.000 2.356 8 L HA 0.710 5.050 4.340 0.000 0.000 0.277 8 L C -2.421 174.441 176.870 -0.015 0.000 0.996 8 L CA -1.421 53.409 54.840 -0.016 0.000 0.822 8 L CB 0.814 42.859 42.059 -0.024 0.000 1.256 8 L HN 0.441 nan 8.230 nan 0.000 0.413 9 P HA 0.063 nan 4.420 nan 0.000 0.270 9 P C -0.640 176.653 177.300 -0.012 0.000 1.227 9 P CA -0.536 62.559 63.100 -0.009 0.000 0.788 9 P CB 0.501 32.198 31.700 -0.006 0.000 0.926 10 E N 0.813 121.007 120.200 -0.010 0.000 2.360 10 E HA 0.034 4.384 4.350 0.000 0.000 0.269 10 E C -0.301 176.295 176.600 -0.007 0.000 1.022 10 E CA -0.172 56.222 56.400 -0.010 0.000 0.887 10 E CB -0.217 29.479 29.700 -0.007 0.000 0.990 10 E HN 0.567 nan 8.360 nan 0.000 0.426 11 N N 0.788 119.482 118.700 -0.008 0.000 2.951 11 N HA -0.154 4.586 4.740 0.000 0.000 0.177 11 N C -0.726 174.774 175.510 -0.015 0.000 1.080 11 N CA 0.579 53.624 53.050 -0.007 0.000 1.041 11 N CB -0.812 37.674 38.487 -0.001 0.000 0.981 11 N HN 0.441 nan 8.380 nan 0.000 0.554 12 M N 1.718 121.303 119.600 -0.025 0.000 2.300 12 M HA 0.418 4.898 4.480 0.000 0.000 0.348 12 M C -0.938 175.319 176.300 -0.071 0.000 1.151 12 M CA 0.287 55.563 55.300 -0.041 0.000 1.046 12 M CB 1.416 33.991 32.600 -0.042 0.000 1.647 12 M HN -0.050 nan 8.290 nan 0.000 0.451 13 K N 2.480 122.812 120.400 -0.113 0.000 2.316 13 K HA 0.576 4.897 4.320 0.000 0.000 0.251 13 K C -1.007 175.393 176.600 -0.333 0.000 0.934 13 K CA -0.831 55.320 56.287 -0.227 0.000 0.802 13 K CB 2.150 34.525 32.500 -0.207 0.000 1.171 13 K HN 0.514 nan 8.250 nan 0.000 0.426 14 R N 3.215 123.453 120.500 -0.436 0.000 2.409 14 R HA 0.330 4.670 4.340 0.000 0.000 0.313 14 R C -1.515 174.524 176.300 -0.435 0.000 0.953 14 R CA -0.530 55.369 56.100 -0.336 0.000 0.849 14 R CB 0.781 30.991 30.300 -0.149 0.000 1.171 14 R HN 0.609 nan 8.270 nan 0.000 0.458 15 Y N 4.201 124.517 120.300 0.027 0.000 2.462 15 Y HA 0.530 5.080 4.550 -0.000 0.000 0.346 15 Y C 0.290 176.205 175.900 0.025 0.000 0.976 15 Y CA -1.117 57.000 58.100 0.027 0.000 1.044 15 Y CB 2.307 40.788 38.460 0.035 0.000 1.230 15 Y HN 0.429 nan 8.280 nan 0.000 0.455 16 M N 1.402 121.120 119.600 0.196 0.000 2.426 16 M HA 0.831 5.312 4.480 0.000 0.000 0.289 16 M C -0.432 175.930 176.300 0.104 0.000 1.168 16 M CA -0.211 55.160 55.300 0.120 0.000 0.933 16 M CB 2.353 35.002 32.600 0.082 0.000 1.750 16 M HN 0.955 nan 8.290 nan 0.000 0.494 17 G N 2.226 111.073 108.800 0.079 0.000 2.451 17 G HA2 -0.178 3.782 3.960 0.000 0.000 0.208 17 G HA3 -0.178 3.782 3.960 0.000 0.000 0.208 17 G C 0.220 175.145 174.900 0.041 0.000 1.248 17 G CA 0.421 45.558 45.100 0.061 0.000 0.989 17 G HN 1.316 nan 8.290 nan 0.000 0.559 18 R N 0.991 121.509 120.500 0.030 0.000 2.234 18 R HA -0.295 4.045 4.340 0.000 0.000 0.241 18 R C 2.042 178.330 176.300 -0.019 0.000 1.115 18 R CA 3.607 59.711 56.100 0.008 0.000 0.913 18 R CB -1.980 28.319 30.300 -0.001 0.000 0.911 18 R HN 0.738 nan 8.270 nan 0.000 0.430 19 D N 0.712 121.110 120.400 -0.004 0.000 2.157 19 D HA -0.206 4.434 4.640 0.000 0.000 0.191 19 D C 1.926 178.083 176.300 -0.237 0.000 1.004 19 D CA 2.255 56.195 54.000 -0.100 0.000 0.854 19 D CB -0.740 40.190 40.800 0.218 0.000 0.936 19 D HN 0.561 nan 8.370 nan 0.000 0.446 20 A N 0.545 123.361 122.820 -0.006 0.000 1.843 20 A HA -0.158 4.162 4.320 0.000 0.000 0.213 20 A C 2.261 179.837 177.584 -0.013 0.000 1.202 20 A CA 1.389 53.451 52.037 0.041 0.000 0.607 20 A CB -0.765 18.295 19.000 0.099 0.000 0.847 20 A HN 0.169 nan 8.150 nan 0.000 0.445 21 Q N -0.599 119.195 119.800 -0.009 0.000 2.062 21 Q HA -0.284 4.056 4.340 0.000 0.000 0.209 21 Q C 2.373 178.356 176.000 -0.029 0.000 0.996 21 Q CA 2.274 58.067 55.803 -0.016 0.000 0.859 21 Q CB -0.321 28.411 28.738 -0.011 0.000 0.920 21 Q HN 0.750 nan 8.270 nan 0.000 0.415 22 R N 0.231 120.701 120.500 -0.050 0.000 2.073 22 R HA -0.123 4.217 4.340 0.000 0.000 0.234 22 R C 2.145 178.420 176.300 -0.042 0.000 1.134 22 R CA 1.661 57.729 56.100 -0.053 0.000 0.952 22 R CB -0.225 30.026 30.300 -0.082 0.000 0.850 22 R HN 0.229 nan 8.270 nan 0.000 0.433 23 M N 0.694 120.259 119.600 -0.057 0.000 2.132 23 M HA -0.122 4.358 4.480 0.000 0.000 0.263 23 M C 1.769 178.153 176.300 0.141 0.000 1.065 23 M CA 1.936 57.264 55.300 0.047 0.000 1.122 23 M CB -0.410 32.225 32.600 0.058 0.000 1.365 23 M HN 0.408 nan 8.290 nan 0.000 0.411 24 N N 0.404 119.113 118.700 0.015 0.000 2.135 24 N HA -0.072 4.668 4.740 0.000 0.000 0.186 24 N C 1.754 177.242 175.510 -0.037 0.000 1.027 24 N CA 0.827 53.829 53.050 -0.079 0.000 0.849 24 N CB 0.070 38.515 38.487 -0.069 0.000 1.002 24 N HN 0.209 nan 8.380 nan 0.000 0.425 25 I N 1.424 121.982 120.570 -0.019 0.000 2.091 25 I HA -0.351 3.819 4.170 0.000 0.000 0.240 25 I C 2.256 178.369 176.117 -0.006 0.000 1.046 25 I CA 1.395 62.685 61.300 -0.017 0.000 1.306 25 I CB -0.243 37.747 38.000 -0.017 0.000 1.018 25 I HN 0.253 nan 8.210 nan 0.000 0.404 26 L N 0.021 121.250 121.223 0.010 0.000 2.131 26 L HA -0.225 4.115 4.340 0.000 0.000 0.210 26 L C 2.672 179.570 176.870 0.046 0.000 1.092 26 L CA 1.295 56.147 54.840 0.020 0.000 0.759 26 L CB -0.380 41.695 42.059 0.027 0.000 0.903 26 L HN 0.306 nan 8.230 nan 0.000 0.435 27 A N -0.234 122.639 122.820 0.088 0.000 1.873 27 A HA -0.115 4.205 4.320 0.000 0.000 0.215 27 A C 2.329 179.927 177.584 0.022 0.000 1.186 27 A CA 1.515 53.613 52.037 0.101 0.000 0.616 27 A CB -1.269 17.793 19.000 0.103 0.000 0.823 27 A HN 0.452 nan 8.150 nan 0.000 0.442 28 G N -0.497 108.298 108.800 -0.007 0.000 2.491 28 G HA2 -0.273 3.688 3.960 0.000 0.000 0.218 28 G HA3 -0.273 3.688 3.960 0.000 0.000 0.218 28 G C 1.802 176.688 174.900 -0.024 0.000 1.180 28 G CA 1.148 46.232 45.100 -0.027 0.000 0.774 28 G HN 0.560 nan 8.290 nan 0.000 0.562 29 R N -0.715 119.775 120.500 -0.017 0.000 2.161 29 R HA 0.291 4.631 4.340 0.000 0.000 0.213 29 R C 2.478 178.767 176.300 -0.019 0.000 1.055 29 R CA 0.116 56.201 56.100 -0.024 0.000 0.996 29 R CB -0.185 30.101 30.300 -0.023 0.000 0.901 29 R HN 0.361 nan 8.270 nan 0.000 0.456 30 I N 1.405 121.969 120.570 -0.009 0.000 2.086 30 I HA -0.259 3.911 4.170 0.000 0.000 0.233 30 I C 1.805 177.917 176.117 -0.009 0.000 1.060 30 I CA 1.187 62.484 61.300 -0.005 0.000 1.326 30 I CB -0.155 37.849 38.000 0.006 0.000 1.067 30 I HN 0.078 nan 8.210 nan 0.000 0.398 31 I N 0.507 121.074 120.570 -0.005 0.000 2.992 31 I HA -0.290 3.880 4.170 0.000 0.000 0.277 31 I C 1.857 177.963 176.117 -0.018 0.000 1.277 31 I CA 1.364 62.659 61.300 -0.009 0.000 1.429 31 I CB -1.895 36.104 38.000 -0.001 0.000 1.104 31 I HN 0.283 nan 8.210 nan 0.000 0.498 32 A N 0.993 123.800 122.820 -0.022 0.000 2.016 32 A HA 0.080 4.400 4.320 0.000 0.000 0.202 32 A C 2.125 179.692 177.584 -0.028 0.000 1.632 32 A CA 0.158 52.176 52.037 -0.031 0.000 0.891 32 A CB -0.182 18.793 19.000 -0.040 0.000 1.103 32 A HN 0.271 nan 8.150 nan 0.000 0.547 33 E N 0.665 120.850 120.200 -0.025 0.000 2.095 33 E HA -0.263 4.087 4.350 0.000 0.000 0.212 33 E C 1.900 178.488 176.600 -0.020 0.000 1.044 33 E CA 2.295 58.681 56.400 -0.022 0.000 0.857 33 E CB -0.931 28.758 29.700 -0.019 0.000 0.764 33 E HN 0.774 nan 8.360 nan 0.000 0.462 34 T N 0.822 115.366 114.554 -0.017 0.000 1.809 34 T HA -0.358 3.993 4.350 0.000 0.000 0.124 34 T C 1.848 176.537 174.700 -0.019 0.000 1.995 34 T CA 2.092 64.182 62.100 -0.016 0.000 0.991 34 T CB -1.351 67.510 68.868 -0.013 0.000 0.854 34 T HN 0.219 nan 8.240 nan 0.000 0.377 35 V N 3.020 122.922 119.914 -0.020 0.000 2.495 35 V HA -0.363 3.757 4.120 0.000 0.000 0.260 35 V C 2.842 178.920 176.094 -0.026 0.000 1.097 35 V CA 3.232 65.519 62.300 -0.023 0.000 1.105 35 V CB -1.118 30.693 31.823 -0.020 0.000 0.678 35 V HN 0.815 nan 8.190 nan 0.000 0.469 36 R N 0.347 120.830 120.500 -0.029 0.000 2.120 36 R HA -0.104 4.236 4.340 0.000 0.000 0.234 36 R C 2.058 178.340 176.300 -0.030 0.000 1.123 36 R CA 2.207 58.287 56.100 -0.032 0.000 0.975 36 R CB -0.766 29.515 30.300 -0.032 0.000 0.866 36 R HN 0.592 nan 8.270 nan 0.000 0.446 37 S N -0.209 115.476 115.700 -0.026 0.000 2.461 37 S HA -0.050 4.420 4.470 0.000 0.000 0.228 37 S C 1.568 176.153 174.600 -0.024 0.000 1.005 37 S CA 1.175 59.360 58.200 -0.024 0.000 0.942 37 S CB 0.187 63.371 63.200 -0.026 0.000 0.776 37 S HN 0.638 nan 8.310 nan 0.000 0.514 38 T N 0.973 115.512 114.554 -0.024 0.000 2.976 38 T HA 0.229 4.579 4.350 0.000 0.000 0.257 38 T C 0.756 175.441 174.700 -0.025 0.000 1.051 38 T CA -0.256 61.831 62.100 -0.022 0.000 1.141 38 T CB -0.548 68.308 68.868 -0.019 0.000 0.881 38 T HN 0.159 nan 8.240 nan 0.000 0.461 39 L N 2.327 123.534 121.223 -0.028 0.000 2.586 39 L HA 0.302 4.642 4.340 0.000 0.000 0.307 39 L C 1.350 178.200 176.870 -0.032 0.000 1.274 39 L CA 1.643 56.465 54.840 -0.029 0.000 0.857 39 L CB -0.740 41.303 42.059 -0.027 0.000 1.099 39 L HN 0.694 nan 8.230 nan 0.000 0.525 40 G N 3.399 112.181 108.800 -0.031 0.000 2.581 40 G HA2 -0.301 3.659 3.960 0.000 0.000 0.289 40 G HA3 -0.301 3.659 3.960 0.000 0.000 0.289 40 G C -1.284 173.588 174.900 -0.048 0.000 1.303 40 G CA -0.016 45.062 45.100 -0.037 0.000 0.931 40 G HN 0.737 nan 8.290 nan 0.000 0.555 41 P HA -0.140 nan 4.420 nan 0.000 0.214 41 P C 1.524 178.768 177.300 -0.094 0.000 1.169 41 P CA 2.134 65.170 63.100 -0.107 0.000 0.908 41 P CB -0.159 31.422 31.700 -0.198 0.000 0.791 42 K N -0.091 120.253 120.400 -0.093 0.000 2.519 42 K HA 0.030 4.350 4.320 0.000 0.000 0.196 42 K C 1.409 177.985 176.600 -0.040 0.000 1.041 42 K CA 0.407 56.657 56.287 -0.063 0.000 0.954 42 K CB -1.144 31.317 32.500 -0.064 0.000 0.774 42 K HN 0.223 nan 8.250 nan 0.000 0.480 43 G N 1.669 110.448 108.800 -0.036 0.000 2.341 43 G HA2 0.019 3.979 3.960 0.000 0.000 0.231 43 G HA3 0.019 3.979 3.960 0.000 0.000 0.231 43 G C -0.406 174.484 174.900 -0.016 0.000 1.206 43 G CA -0.094 44.991 45.100 -0.025 0.000 0.865 43 G HN 0.089 nan 8.290 nan 0.000 0.515 44 M N 1.885 121.477 119.600 -0.014 0.000 2.151 44 M HA 0.288 4.768 4.480 0.000 0.000 0.290 44 M C -0.460 175.836 176.300 -0.007 0.000 0.965 44 M CA -0.904 54.390 55.300 -0.010 0.000 0.930 44 M CB 1.767 34.361 32.600 -0.011 0.000 1.560 44 M HN 0.512 nan 8.290 nan 0.000 0.438 45 D N 2.981 123.380 120.400 -0.003 0.000 2.341 45 D HA 0.185 4.825 4.640 0.000 0.000 0.233 45 D C -0.449 175.850 176.300 -0.002 0.000 1.270 45 D CA 1.004 55.004 54.000 -0.001 0.000 0.883 45 D CB 0.578 41.381 40.800 0.004 0.000 1.207 45 D HN 0.387 nan 8.370 nan 0.000 0.471 46 K N 0.302 120.701 120.400 -0.001 0.000 2.525 46 K HA 0.337 4.657 4.320 0.000 0.000 0.254 46 K C -0.951 175.649 176.600 0.001 0.000 0.934 46 K CA -0.630 55.656 56.287 -0.002 0.000 0.802 46 K CB 2.235 34.732 32.500 -0.004 0.000 1.295 46 K HN 0.316 nan 8.250 nan 0.000 0.433 47 M N 5.452 125.053 119.600 0.001 0.000 2.268 47 M HA 0.296 4.776 4.480 0.000 0.000 0.340 47 M C -1.331 174.970 176.300 0.002 0.000 1.099 47 M CA -0.675 54.627 55.300 0.003 0.000 1.053 47 M CB 0.194 32.796 32.600 0.003 0.000 1.284 47 M HN 0.532 nan 8.290 nan 0.000 0.410 48 L N 3.993 125.217 121.223 0.002 0.000 2.456 48 L HA 0.450 4.790 4.340 0.000 0.000 0.272 48 L C -0.436 176.435 176.870 0.003 0.000 1.189 48 L CA -0.465 54.377 54.840 0.002 0.000 0.846 48 L CB 0.679 42.739 42.059 0.002 0.000 1.111 48 L HN 0.374 nan 8.230 nan 0.000 0.475 49 V N 0.548 120.463 119.914 0.002 0.000 3.049 49 V HA 0.476 4.596 4.120 0.000 0.000 0.309 49 V C -1.168 174.927 176.094 0.002 0.000 1.148 49 V CA -0.800 61.501 62.300 0.002 0.000 0.990 49 V CB 2.423 34.247 31.823 0.002 0.000 1.039 49 V HN 0.892 nan 8.190 nan 0.000 0.430 50 D N 0.333 120.734 120.400 0.002 0.000 2.819 50 D HA 0.284 4.924 4.640 0.000 0.000 0.232 50 D C 0.411 176.713 176.300 0.002 0.000 1.160 50 D CA -0.581 53.420 54.000 0.002 0.000 0.858 50 D CB 1.614 42.415 40.800 0.003 0.000 1.610 50 D HN 0.445 nan 8.370 nan 0.000 0.481 51 D N 1.135 121.536 120.400 0.002 0.000 6.561 51 D HA -0.256 4.384 4.640 0.000 0.000 0.194 51 D C 1.913 178.214 176.300 0.002 0.000 1.820 51 D CA 1.410 55.411 54.000 0.002 0.000 0.851 51 D CB -0.024 40.777 40.800 0.002 0.000 0.789 51 D HN 0.479 nan 8.370 nan 0.000 0.761 52 L N -0.471 120.753 121.223 0.002 0.000 2.079 52 L HA -0.162 4.178 4.340 0.000 0.000 0.210 52 L C 2.211 179.082 176.870 0.002 0.000 1.081 52 L CA 1.474 56.315 54.840 0.002 0.000 0.752 52 L CB -0.515 41.546 42.059 0.003 0.000 0.896 52 L HN 0.335 nan 8.230 nan 0.000 0.433 53 G N -0.996 107.805 108.800 0.002 0.000 2.176 53 G HA2 -0.271 3.689 3.960 0.000 0.000 0.232 53 G HA3 -0.271 3.689 3.960 0.000 0.000 0.232 53 G C 0.071 174.972 174.900 0.002 0.000 0.986 53 G CA 0.144 45.245 45.100 0.002 0.000 0.643 53 G HN 0.361 nan 8.290 nan 0.000 0.522 54 D N 0.458 120.860 120.400 0.003 0.000 2.506 54 D HA 0.387 5.027 4.640 0.000 0.000 0.234 54 D C 0.698 177.001 176.300 0.005 0.000 1.143 54 D CA 1.254 55.256 54.000 0.004 0.000 0.871 54 D CB 0.998 41.800 40.800 0.004 0.000 1.190 54 D HN 0.859 nan 8.370 nan 0.000 0.459 55 V N 1.062 120.979 119.914 0.006 0.000 2.709 55 V HA 0.680 4.800 4.120 0.000 0.000 0.308 55 V C -0.475 175.624 176.094 0.009 0.000 1.062 55 V CA -0.942 61.361 62.300 0.006 0.000 0.901 55 V CB 2.006 33.832 31.823 0.005 0.000 1.003 55 V HN 0.259 nan 8.190 nan 0.000 0.425 56 V N 4.393 124.313 119.914 0.009 0.000 2.577 56 V HA 0.393 4.513 4.120 0.000 0.000 0.294 56 V C -0.499 175.601 176.094 0.011 0.000 1.052 56 V CA -0.391 61.915 62.300 0.011 0.000 0.891 56 V CB 2.280 34.107 31.823 0.007 0.000 1.017 56 V HN 0.841 nan 8.190 nan 0.000 0.436 57 V N 3.951 123.874 119.914 0.015 0.000 2.383 57 V HA 0.898 5.018 4.120 0.000 0.000 0.275 57 V C 0.291 176.392 176.094 0.011 0.000 1.036 57 V CA -0.192 62.116 62.300 0.014 0.000 0.889 57 V CB 1.008 32.845 31.823 0.022 0.000 0.985 57 V HN 0.969 nan 8.190 nan 0.000 0.459 58 T N 0.220 114.776 114.554 0.004 0.000 2.792 58 T HA 0.478 4.828 4.350 0.000 0.000 0.303 58 T C -0.007 174.690 174.700 -0.005 0.000 1.310 58 T CA -0.619 61.480 62.100 -0.001 0.000 1.007 58 T CB 2.496 71.361 68.868 -0.004 0.000 1.335 58 T HN 0.365 nan 8.240 nan 0.000 0.504 59 N N -0.203 118.492 118.700 -0.010 0.000 2.652 59 N HA 0.162 4.902 4.740 0.000 0.000 0.226 59 N C -0.466 175.036 175.510 -0.014 0.000 1.023 59 N CA 0.219 53.262 53.050 -0.011 0.000 1.126 59 N CB -0.377 38.102 38.487 -0.013 0.000 1.476 59 N HN 0.720 nan 8.380 nan 0.000 0.537 60 D N 0.612 121.002 120.400 -0.016 0.000 2.793 60 D HA -0.013 4.627 4.640 0.000 0.000 0.230 60 D C 1.297 177.588 176.300 -0.015 0.000 1.139 60 D CA 0.667 54.656 54.000 -0.017 0.000 0.838 60 D CB 0.292 41.080 40.800 -0.019 0.000 1.149 60 D HN 0.469 nan 8.370 nan 0.000 0.526 61 G N 2.643 111.433 108.800 -0.016 0.000 2.606 61 G HA2 -0.330 3.630 3.960 0.000 0.000 0.221 61 G HA3 -0.330 3.630 3.960 0.000 0.000 0.221 61 G C 1.602 176.493 174.900 -0.014 0.000 1.152 61 G CA 1.080 46.170 45.100 -0.016 0.000 0.765 61 G HN 0.486 nan 8.290 nan 0.000 0.595 62 V N 0.662 120.568 119.914 -0.013 0.000 2.214 62 V HA -0.188 3.932 4.120 0.000 0.000 0.244 62 V C 2.773 178.861 176.094 -0.009 0.000 1.045 62 V CA 3.293 65.586 62.300 -0.011 0.000 0.993 62 V CB -1.082 30.734 31.823 -0.011 0.000 0.633 62 V HN 0.380 nan 8.190 nan 0.000 0.449 63 T N 0.538 115.087 114.554 -0.009 0.000 3.139 63 T HA -0.022 4.328 4.350 0.000 0.000 0.267 63 T C 1.552 176.248 174.700 -0.006 0.000 1.164 63 T CA 1.583 63.679 62.100 -0.007 0.000 1.075 63 T CB -0.474 68.390 68.868 -0.007 0.000 0.904 63 T HN 0.521 nan 8.240 nan 0.000 0.540 64 I N 0.297 120.863 120.570 -0.007 0.000 2.406 64 I HA -0.083 4.087 4.170 0.000 0.000 0.249 64 I C 1.838 177.953 176.117 -0.005 0.000 1.122 64 I CA 1.054 62.350 61.300 -0.006 0.000 1.431 64 I CB -0.108 37.887 38.000 -0.008 0.000 1.087 64 I HN 0.242 nan 8.210 nan 0.000 0.424 65 L N -0.539 120.681 121.223 -0.005 0.000 2.102 65 L HA 0.026 4.366 4.340 0.000 0.000 0.202 65 L C 2.488 179.357 176.870 -0.001 0.000 1.076 65 L CA 0.806 55.644 54.840 -0.003 0.000 0.761 65 L CB -0.949 41.107 42.059 -0.004 0.000 0.921 65 L HN -0.030 nan 8.230 nan 0.000 0.444 66 R N 0.486 120.984 120.500 -0.002 0.000 2.248 66 R HA -0.277 4.063 4.340 0.000 0.000 0.236 66 R C 2.435 178.736 176.300 0.001 0.000 1.111 66 R CA 2.503 58.603 56.100 -0.001 0.000 0.894 66 R CB -0.285 30.013 30.300 -0.003 0.000 0.905 66 R HN 0.374 nan 8.270 nan 0.000 0.426 67 E N 0.156 120.356 120.200 0.000 0.000 2.001 67 E HA -0.150 4.200 4.350 0.000 0.000 0.193 67 E C 1.194 177.795 176.600 0.003 0.000 0.994 67 E CA 0.750 57.151 56.400 0.002 0.000 0.815 67 E CB -0.418 29.283 29.700 0.001 0.000 0.770 67 E HN 0.268 nan 8.360 nan 0.000 0.453 68 M N 2.234 121.835 119.600 0.002 0.000 3.588 68 M HA -0.125 4.355 4.480 0.000 0.000 0.235 68 M C 0.204 176.507 176.300 0.005 0.000 1.997 68 M CA 0.205 55.506 55.300 0.003 0.000 1.820 68 M CB -2.050 30.552 32.600 0.002 0.000 1.567 68 M HN -0.065 nan 8.290 nan 0.000 0.496 69 S N 0.665 116.369 115.700 0.006 0.000 3.869 69 S HA -0.008 4.462 4.470 0.000 0.000 0.454 69 S C 0.146 174.752 174.600 0.011 0.000 0.849 69 S CA -0.044 58.161 58.200 0.008 0.000 1.820 69 S CB -0.289 62.915 63.200 0.007 0.000 1.054 69 S HN 0.539 nan 8.310 nan 0.000 0.599 70 V N 6.157 126.080 119.914 0.016 0.000 2.406 70 V HA 0.322 4.442 4.120 0.000 0.000 0.272 70 V C 1.180 177.296 176.094 0.036 0.000 1.043 70 V CA 0.062 62.377 62.300 0.026 0.000 0.915 70 V CB 0.720 32.560 31.823 0.028 0.000 0.988 70 V HN 1.025 nan 8.190 nan 0.000 0.466 71 E N 4.192 124.414 120.200 0.038 0.000 2.000 71 E HA -0.246 4.104 4.350 0.000 0.000 0.199 71 E C 0.724 177.390 176.600 0.111 0.000 1.011 71 E CA 1.272 57.700 56.400 0.047 0.000 0.836 71 E CB -0.359 29.343 29.700 0.004 0.000 0.778 71 E HN 0.861 nan 8.360 nan 0.000 0.462 72 H N 2.918 121.992 119.070 0.008 0.000 3.253 72 H HA 0.003 4.560 4.556 0.001 0.000 0.250 72 H C -1.698 173.636 175.328 0.010 0.000 1.051 72 H CA -1.660 54.395 56.048 0.011 0.000 1.458 72 H CB 0.740 30.505 29.762 0.004 0.000 1.549 72 H HN 0.091 nan 8.280 nan 0.000 0.506 73 P HA -0.301 nan 4.420 nan 0.000 0.218 73 P C 1.155 178.433 177.300 -0.036 0.000 1.152 73 P CA 1.781 64.901 63.100 0.033 0.000 0.857 73 P CB 0.230 31.956 31.700 0.043 0.000 0.787 74 A N 0.374 123.107 122.820 -0.145 0.000 1.841 74 A HA -0.162 4.158 4.320 0.000 0.000 0.216 74 A C 2.416 179.941 177.584 -0.099 0.000 1.199 74 A CA 2.701 54.639 52.037 -0.165 0.000 0.621 74 A CB -1.788 16.999 19.000 -0.355 0.000 0.835 74 A HN 0.194 nan 8.150 nan 0.000 0.445 75 A N 0.047 122.811 122.820 -0.092 0.000 1.997 75 A HA -0.358 3.962 4.320 0.000 0.000 0.226 75 A C 1.987 179.568 177.584 -0.004 0.000 1.327 75 A CA 2.617 54.649 52.037 -0.008 0.000 0.693 75 A CB -0.741 18.299 19.000 0.066 0.000 0.832 75 A HN 0.649 nan 8.150 nan 0.000 0.497 76 K N -0.409 119.990 120.400 -0.002 0.000 2.305 76 K HA 0.047 4.367 4.320 0.000 0.000 0.199 76 K C 1.930 178.527 176.600 -0.006 0.000 1.047 76 K CA 0.979 57.268 56.287 0.002 0.000 0.976 76 K CB -0.413 32.096 32.500 0.014 0.000 0.765 76 K HN 0.867 nan 8.250 nan 0.000 0.474 77 M N 0.030 119.620 119.600 -0.017 0.000 2.327 77 M HA -0.159 4.321 4.480 0.000 0.000 0.258 77 M C 1.714 178.002 176.300 -0.019 0.000 1.079 77 M CA 1.756 57.043 55.300 -0.021 0.000 1.056 77 M CB -0.463 32.125 32.600 -0.020 0.000 1.387 77 M HN 0.152 nan 8.290 nan 0.000 0.423 78 L N -0.754 120.459 121.223 -0.018 0.000 3.086 78 L HA 0.328 4.669 4.340 0.000 0.000 0.274 78 L C 1.258 178.119 176.870 -0.016 0.000 1.184 78 L CA -0.154 54.674 54.840 -0.020 0.000 1.002 78 L CB 0.617 42.660 42.059 -0.026 0.000 1.383 78 L HN 0.260 nan 8.230 nan 0.000 0.582 79 I N -0.951 119.613 120.570 -0.011 0.000 3.875 79 I HA 0.126 4.296 4.170 0.000 0.000 0.329 79 I C 1.269 177.381 176.117 -0.008 0.000 1.295 79 I CA 0.888 62.182 61.300 -0.009 0.000 1.129 79 I CB 0.008 38.005 38.000 -0.005 0.000 1.008 79 I HN 0.168 nan 8.210 nan 0.000 0.413 80 E N -0.743 119.452 120.200 -0.008 0.000 2.474 80 E HA 0.035 4.385 4.350 0.000 0.000 0.194 80 E C 1.722 178.317 176.600 -0.009 0.000 1.041 80 E CA 0.552 56.948 56.400 -0.007 0.000 0.874 80 E CB 0.323 30.019 29.700 -0.006 0.000 0.914 80 E HN 0.460 nan 8.360 nan 0.000 0.498 81 V N -0.753 119.154 119.914 -0.012 0.000 3.085 81 V HA 0.207 4.327 4.120 0.000 0.000 0.245 81 V C 1.864 177.949 176.094 -0.015 0.000 1.114 81 V CA 0.934 63.226 62.300 -0.013 0.000 1.108 81 V CB 0.325 32.138 31.823 -0.016 0.000 0.798 81 V HN 0.208 nan 8.190 nan 0.000 0.471 82 A N -0.264 122.547 122.820 -0.015 0.000 2.308 82 A HA 0.171 4.491 4.320 0.000 0.000 0.217 82 A C 2.104 179.680 177.584 -0.012 0.000 1.216 82 A CA 0.575 52.603 52.037 -0.015 0.000 0.864 82 A CB -0.128 18.862 19.000 -0.017 0.000 0.902 82 A HN 0.387 nan 8.150 nan 0.000 0.499 83 K N -0.354 120.040 120.400 -0.010 0.000 2.067 83 K HA -0.061 4.259 4.320 0.000 0.000 0.203 83 K C 1.516 178.112 176.600 -0.007 0.000 1.048 83 K CA 1.660 57.942 56.287 -0.008 0.000 0.954 83 K CB -0.077 32.419 32.500 -0.007 0.000 0.737 83 K HN 0.360 nan 8.250 nan 0.000 0.444 84 T N 0.882 115.432 114.554 -0.007 0.000 3.023 84 T HA -0.084 4.266 4.350 0.000 0.000 0.266 84 T C 1.630 176.326 174.700 -0.006 0.000 1.093 84 T CA 0.829 62.925 62.100 -0.006 0.000 1.129 84 T CB 0.009 68.874 68.868 -0.004 0.000 0.899 84 T HN 0.211 nan 8.240 nan 0.000 0.491 85 Q N 1.093 120.888 119.800 -0.008 0.000 2.119 85 Q HA -0.052 4.288 4.340 0.000 0.000 0.201 85 Q C 2.073 178.068 176.000 -0.009 0.000 0.972 85 Q CA 1.075 56.872 55.803 -0.009 0.000 0.847 85 Q CB -0.143 28.588 28.738 -0.010 0.000 0.903 85 Q HN 0.389 nan 8.270 nan 0.000 0.433 86 E N 0.769 120.964 120.200 -0.010 0.000 1.954 86 E HA -0.343 4.007 4.350 0.000 0.000 0.240 86 E C 1.040 177.635 176.600 -0.009 0.000 0.886 86 E CA 2.137 58.531 56.400 -0.010 0.000 1.118 86 E CB -0.055 29.638 29.700 -0.011 0.000 0.804 86 E HN 0.362 nan 8.360 nan 0.000 0.604 87 K N -1.229 119.165 120.400 -0.009 0.000 10.660 87 K HA -0.344 3.976 4.320 0.000 0.000 0.523 87 K C 1.537 178.133 176.600 -0.007 0.000 0.379 87 K CA 2.811 59.094 56.287 -0.007 0.000 1.947 87 K CB -1.536 30.961 32.500 -0.006 0.000 0.758 87 K HN 0.463 nan 8.250 nan 0.000 1.189 88 E N -0.515 119.681 120.200 -0.007 0.000 2.357 88 E HA 0.240 4.590 4.350 0.000 0.000 0.202 88 E C 1.929 178.525 176.600 -0.006 0.000 0.855 88 E CA 0.408 56.804 56.400 -0.006 0.000 1.048 88 E CB 0.757 30.454 29.700 -0.004 0.000 1.037 88 E HN 0.276 nan 8.360 nan 0.000 0.499 89 V N -1.204 118.706 119.914 -0.006 0.000 3.058 89 V HA 0.530 4.651 4.120 0.000 0.000 0.233 89 V C 0.979 177.068 176.094 -0.008 0.000 1.255 89 V CA 1.508 63.804 62.300 -0.007 0.000 1.267 89 V CB 0.948 32.768 31.823 -0.005 0.000 1.049 89 V HN 0.397 nan 8.190 nan 0.000 0.486 90 G N -0.058 108.737 108.800 -0.009 0.000 4.241 90 G HA2 -0.079 3.881 3.960 0.000 0.000 0.193 90 G HA3 -0.079 3.881 3.960 0.000 0.000 0.193 90 G C -0.432 174.460 174.900 -0.012 0.000 1.789 90 G CA 0.156 45.249 45.100 -0.011 0.000 1.025 90 G HN 0.489 nan 8.290 nan 0.000 0.346 91 D N 1.577 121.971 120.400 -0.011 0.000 2.548 91 D HA 0.421 5.061 4.640 0.000 0.000 0.231 91 D C 1.457 177.749 176.300 -0.012 0.000 1.142 91 D CA 2.495 56.488 54.000 -0.012 0.000 0.866 91 D CB 0.462 41.256 40.800 -0.010 0.000 1.190 91 D HN 1.618 nan 8.370 nan 0.000 0.469 92 G N 1.641 110.432 108.800 -0.015 0.000 2.157 92 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 92 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 92 G C 1.182 176.070 174.900 -0.019 0.000 0.979 92 G CA 1.111 46.201 45.100 -0.017 0.000 0.650 92 G HN 0.668 nan 8.290 nan 0.000 0.529 93 T N -2.488 112.054 114.554 -0.019 0.000 2.759 93 T HA -0.124 4.226 4.350 0.000 0.000 0.269 93 T C 2.178 176.864 174.700 -0.024 0.000 1.042 93 T CA 2.563 64.651 62.100 -0.020 0.000 1.140 93 T CB -0.588 68.269 68.868 -0.018 0.000 0.864 93 T HN 0.334 nan 8.240 nan 0.000 0.455 94 T N 2.129 116.668 114.554 -0.025 0.000 2.857 94 T HA -0.045 4.305 4.350 0.000 0.000 0.266 94 T C 2.351 177.030 174.700 -0.035 0.000 1.048 94 T CA 1.776 63.858 62.100 -0.029 0.000 1.139 94 T CB -0.561 68.290 68.868 -0.028 0.000 0.874 94 T HN 0.823 nan 8.240 nan 0.000 0.455 95 T N 0.018 114.551 114.554 -0.034 0.000 3.031 95 T HA 0.382 4.732 4.350 0.000 0.000 0.254 95 T C 2.321 176.991 174.700 -0.049 0.000 1.060 95 T CA 0.570 62.645 62.100 -0.041 0.000 1.135 95 T CB -0.344 68.504 68.868 -0.034 0.000 0.896 95 T HN 0.254 nan 8.240 nan 0.000 0.472 96 A N 1.722 124.518 122.820 -0.039 0.000 1.933 96 A HA 0.090 4.410 4.320 0.000 0.000 0.218 96 A C 2.561 180.113 177.584 -0.054 0.000 1.175 96 A CA 1.784 53.797 52.037 -0.040 0.000 0.628 96 A CB -0.901 18.083 19.000 -0.028 0.000 0.814 96 A HN 0.693 nan 8.150 nan 0.000 0.444 97 V N -2.410 117.474 119.914 -0.051 0.000 2.949 97 V HA 0.004 4.124 4.120 0.000 0.000 0.245 97 V C 2.022 178.078 176.094 -0.064 0.000 1.086 97 V CA 1.540 63.807 62.300 -0.053 0.000 1.097 97 V CB -0.300 31.499 31.823 -0.040 0.000 0.762 97 V HN 0.161 nan 8.190 nan 0.000 0.470 98 V N 1.713 121.588 119.914 -0.065 0.000 2.270 98 V HA -0.129 3.991 4.120 0.000 0.000 0.245 98 V C 2.549 178.582 176.094 -0.102 0.000 1.043 98 V CA 2.218 64.476 62.300 -0.071 0.000 1.014 98 V CB -0.411 31.374 31.823 -0.063 0.000 0.645 98 V HN 0.641 nan 8.190 nan 0.000 0.447 99 V N -1.632 118.211 119.914 -0.118 0.000 3.636 99 V HA 0.358 4.478 4.120 0.000 0.000 0.279 99 V C 1.799 177.755 176.094 -0.230 0.000 1.263 99 V CA 1.103 63.298 62.300 -0.175 0.000 1.182 99 V CB -0.865 30.849 31.823 -0.181 0.000 0.955 99 V HN 0.326 nan 8.190 nan 0.000 0.443 100 A N 1.064 123.787 122.820 -0.162 0.000 1.973 100 A HA 0.455 4.775 4.320 0.000 0.000 0.210 100 A C 2.160 179.666 177.584 -0.130 0.000 1.200 100 A CA 1.013 52.962 52.037 -0.147 0.000 0.707 100 A CB -0.584 18.356 19.000 -0.100 0.000 0.862 100 A HN 0.630 nan 8.150 nan 0.000 0.461 101 G N -0.726 108.009 108.800 -0.108 0.000 2.744 101 G HA2 0.073 4.033 3.960 0.000 0.000 0.211 101 G HA3 0.073 4.033 3.960 0.000 0.000 0.211 101 G C 1.270 176.114 174.900 -0.093 0.000 1.146 101 G CA 0.935 45.982 45.100 -0.088 0.000 0.787 101 G HN 0.500 nan 8.290 nan 0.000 0.534 102 E N 0.089 120.220 120.200 -0.115 0.000 2.072 102 E HA -0.010 4.340 4.350 0.000 0.000 0.191 102 E C 2.000 178.504 176.600 -0.160 0.000 0.985 102 E CA 0.508 56.835 56.400 -0.122 0.000 0.801 102 E CB -0.228 29.391 29.700 -0.136 0.000 0.750 102 E HN 0.247 nan 8.360 nan 0.000 0.452 103 L N 0.260 121.343 121.223 -0.232 0.000 2.599 103 L HA 0.160 4.500 4.340 0.000 0.000 0.230 103 L C 1.246 177.979 176.870 -0.230 0.000 1.141 103 L CA 0.576 55.215 54.840 -0.334 0.000 0.877 103 L CB 0.103 41.838 42.059 -0.539 0.000 1.009 103 L HN 0.224 nan 8.230 nan 0.000 0.447 104 L N -1.361 119.776 121.223 -0.144 0.000 2.145 104 L HA -0.007 4.333 4.340 0.000 0.000 0.201 104 L C 2.623 179.462 176.870 -0.052 0.000 1.075 104 L CA 0.694 55.485 54.840 -0.082 0.000 0.773 104 L CB -0.600 41.418 42.059 -0.068 0.000 0.936 104 L HN 0.244 nan 8.230 nan 0.000 0.451 105 R N 0.994 121.459 120.500 -0.059 0.000 2.080 105 R HA -0.179 4.161 4.340 0.000 0.000 0.236 105 R C 1.812 178.098 176.300 -0.024 0.000 1.137 105 R CA 1.511 57.587 56.100 -0.040 0.000 0.943 105 R CB -0.089 30.182 30.300 -0.047 0.000 0.846 105 R HN 0.130 nan 8.270 nan 0.000 0.431 106 K N -0.051 120.330 120.400 -0.032 0.000 2.486 106 K HA 0.057 4.377 4.320 0.000 0.000 0.194 106 K C 1.270 177.901 176.600 0.051 0.000 1.033 106 K CA 0.860 57.148 56.287 0.002 0.000 1.004 106 K CB 0.592 33.079 32.500 -0.022 0.000 0.798 106 K HN 0.366 nan 8.250 nan 0.000 0.495 107 A N 0.044 122.889 122.820 0.040 0.000 2.390 107 A HA 0.065 4.385 4.320 0.000 0.000 0.232 107 A C 1.894 179.510 177.584 0.054 0.000 1.233 107 A CA 0.028 52.127 52.037 0.104 0.000 0.907 107 A CB 0.149 19.209 19.000 0.099 0.000 0.967 107 A HN 0.238 nan 8.150 nan 0.000 0.512 108 E N 0.558 120.772 120.200 0.022 0.000 2.046 108 E HA -0.158 4.192 4.350 0.000 0.000 0.190 108 E C 1.597 178.206 176.600 0.016 0.000 0.982 108 E CA 1.127 57.533 56.400 0.009 0.000 0.800 108 E CB -0.049 29.650 29.700 -0.002 0.000 0.756 108 E HN 0.692 nan 8.360 nan 0.000 0.449 109 E N 0.133 120.346 120.200 0.022 0.000 2.204 109 E HA -0.182 4.168 4.350 0.000 0.000 0.195 109 E C 2.126 178.740 176.600 0.023 0.000 0.990 109 E CA 0.790 57.202 56.400 0.020 0.000 0.821 109 E CB 0.066 29.781 29.700 0.024 0.000 0.750 109 E HN 0.347 nan 8.360 nan 0.000 0.477 110 L N 0.109 121.353 121.223 0.034 0.000 2.102 110 L HA -0.080 4.260 4.340 0.000 0.000 0.202 110 L C 2.375 179.254 176.870 0.016 0.000 1.076 110 L CA 0.378 55.234 54.840 0.027 0.000 0.761 110 L CB -0.637 41.443 42.059 0.036 0.000 0.921 110 L HN 0.108 nan 8.230 nan 0.000 0.444 111 L N -0.438 120.792 121.223 0.012 0.000 2.198 111 L HA -0.306 4.034 4.340 0.000 0.000 0.218 111 L C 1.628 178.503 176.870 0.008 0.000 1.084 111 L CA 1.633 56.474 54.840 0.001 0.000 0.779 111 L CB -1.131 40.917 42.059 -0.018 0.000 0.890 111 L HN 0.349 nan 8.230 nan 0.000 0.439 112 D N -0.853 119.554 120.400 0.010 0.000 2.348 112 D HA -0.103 4.537 4.640 0.000 0.000 0.211 112 D C 1.668 177.976 176.300 0.013 0.000 0.998 112 D CA 0.576 54.583 54.000 0.011 0.000 0.873 112 D CB 0.084 40.888 40.800 0.007 0.000 0.925 112 D HN 0.528 nan 8.370 nan 0.000 0.524 113 Q N 0.467 120.276 119.800 0.015 0.000 2.206 113 Q HA 0.097 4.437 4.340 0.000 0.000 0.265 113 Q C -0.371 175.640 176.000 0.019 0.000 0.866 113 Q CA -0.157 55.655 55.803 0.015 0.000 1.073 113 Q CB -0.049 28.697 28.738 0.013 0.000 1.165 113 Q HN 0.112 nan 8.270 nan 0.000 0.465 114 N N -1.236 117.478 118.700 0.024 0.000 2.955 114 N HA -0.202 4.538 4.740 0.000 0.000 0.230 114 N C 0.077 175.618 175.510 0.052 0.000 0.891 114 N CA 0.817 53.889 53.050 0.038 0.000 1.002 114 N CB -1.032 37.480 38.487 0.042 0.000 1.063 114 N HN 0.267 nan 8.380 nan 0.000 0.601 115 V N 1.572 121.505 119.914 0.032 0.000 2.546 115 V HA -0.030 4.090 4.120 0.000 0.000 0.279 115 V C 0.137 176.243 176.094 0.020 0.000 0.968 115 V CA 0.361 62.681 62.300 0.032 0.000 1.157 115 V CB -0.872 30.962 31.823 0.019 0.000 0.938 115 V HN 0.477 nan 8.190 nan 0.000 0.464 116 H N 6.123 125.192 119.070 -0.001 0.000 2.581 116 H HA -0.110 4.446 4.556 0.000 0.000 0.308 116 H C -1.737 173.587 175.328 -0.007 0.000 0.924 116 H CA 0.854 56.899 56.048 -0.005 0.000 1.005 116 H CB -0.562 29.199 29.762 -0.002 0.000 1.612 116 H HN 0.716 nan 8.280 nan 0.000 0.332 117 P HA -0.205 nan 4.420 nan 0.000 0.219 117 P C 1.569 178.766 177.300 -0.173 0.000 1.146 117 P CA 1.976 64.849 63.100 -0.378 0.000 0.808 117 P CB 0.051 31.466 31.700 -0.475 0.000 0.779 118 T N -2.706 111.794 114.554 -0.091 0.000 2.848 118 T HA -0.159 4.192 4.350 0.000 0.000 0.269 118 T C 1.767 176.468 174.700 0.002 0.000 1.081 118 T CA 0.988 63.120 62.100 0.053 0.000 1.125 118 T CB -0.713 68.271 68.868 0.193 0.000 0.848 118 T HN 0.038 nan 8.240 nan 0.000 0.503 119 I N -0.226 120.325 120.570 -0.033 0.000 2.681 119 I HA 0.038 4.208 4.170 0.000 0.000 0.247 119 I C 2.568 178.586 176.117 -0.165 0.000 1.091 119 I CA 0.298 61.557 61.300 -0.069 0.000 1.442 119 I CB -0.999 36.968 38.000 -0.055 0.000 1.219 119 I HN 0.121 nan 8.210 nan 0.000 0.451 120 V N 1.785 121.591 119.914 -0.180 0.000 2.308 120 V HA -0.423 3.697 4.120 0.000 0.000 0.251 120 V C 2.615 178.454 176.094 -0.425 0.000 1.055 120 V CA 3.427 65.564 62.300 -0.272 0.000 1.105 120 V CB -0.657 31.129 31.823 -0.061 0.000 0.785 120 V HN 0.388 nan 8.190 nan 0.000 0.479 121 V N -2.706 117.130 119.914 -0.130 0.000 2.379 121 V HA -0.132 3.988 4.120 0.000 0.000 0.245 121 V C 2.216 178.284 176.094 -0.043 0.000 1.044 121 V CA 2.326 64.630 62.300 0.007 0.000 1.036 121 V CB -0.879 30.960 31.823 0.027 0.000 0.664 121 V HN 0.516 nan 8.190 nan 0.000 0.453 122 K N 1.061 121.411 120.400 -0.083 0.000 2.515 122 K HA 0.071 4.391 4.320 0.000 0.000 0.196 122 K C 1.891 178.436 176.600 -0.091 0.000 1.038 122 K CA 0.980 57.231 56.287 -0.059 0.000 0.967 122 K CB -0.285 32.187 32.500 -0.047 0.000 0.780 122 K HN 0.645 nan 8.250 nan 0.000 0.483 123 G N -0.737 107.940 108.800 -0.205 0.000 2.599 123 G HA2 -0.146 3.814 3.960 0.000 0.000 0.210 123 G HA3 -0.146 3.814 3.960 0.000 0.000 0.210 123 G C 0.831 175.672 174.900 -0.097 0.000 1.177 123 G CA -0.055 44.909 45.100 -0.228 0.000 0.835 123 G HN 0.165 nan 8.290 nan 0.000 0.575 124 Y N 2.298 122.602 120.300 0.007 0.000 2.298 124 Y HA -0.209 4.341 4.550 0.000 0.000 0.287 124 Y C 3.093 178.915 175.900 -0.131 0.000 1.164 124 Y CA 1.102 59.187 58.100 -0.026 0.000 1.229 124 Y CB -0.679 37.884 38.460 0.171 0.000 0.977 124 Y HN 0.521 nan 8.280 nan 0.000 0.538 125 Q N -1.013 118.837 119.800 0.083 0.000 2.187 125 Q HA 0.037 4.377 4.340 0.000 0.000 0.199 125 Q C 2.229 178.212 176.000 -0.029 0.000 0.957 125 Q CA 1.214 57.032 55.803 0.025 0.000 0.857 125 Q CB -0.455 28.302 28.738 0.032 0.000 0.929 125 Q HN 0.287 nan 8.270 nan 0.000 0.453 126 A N 1.211 124.016 122.820 -0.025 0.000 2.030 126 A HA 0.348 4.669 4.320 0.000 0.000 0.215 126 A C 2.256 179.795 177.584 -0.074 0.000 1.164 126 A CA 0.783 52.811 52.037 -0.015 0.000 0.697 126 A CB -0.371 18.657 19.000 0.047 0.000 0.827 126 A HN 0.453 nan 8.150 nan 0.000 0.457 127 A N -0.430 122.321 122.820 -0.114 0.000 2.119 127 A HA 0.385 4.705 4.320 0.000 0.000 0.217 127 A C 2.171 179.486 177.584 -0.449 0.000 1.153 127 A CA 1.473 53.343 52.037 -0.277 0.000 0.692 127 A CB -0.456 18.397 19.000 -0.244 0.000 0.799 127 A HN 0.783 nan 8.150 nan 0.000 0.458 128 A N -0.228 122.379 122.820 -0.355 0.000 1.887 128 A HA -0.012 4.308 4.320 0.000 0.000 0.212 128 A C 2.047 179.543 177.584 -0.146 0.000 1.198 128 A CA 1.081 52.974 52.037 -0.239 0.000 0.628 128 A CB -0.375 18.563 19.000 -0.104 0.000 0.847 128 A HN 0.567 nan 8.150 nan 0.000 0.449 129 Q N -0.164 119.559 119.800 -0.127 0.000 2.172 129 Q HA -0.117 4.224 4.340 0.000 0.000 0.200 129 Q C 1.899 177.818 176.000 -0.135 0.000 0.964 129 Q CA 1.469 57.214 55.803 -0.097 0.000 0.855 129 Q CB -0.254 28.446 28.738 -0.063 0.000 0.918 129 Q HN 0.558 nan 8.270 nan 0.000 0.444 130 K N 1.766 122.035 120.400 -0.218 0.000 2.097 130 K HA -0.059 4.261 4.320 0.000 0.000 0.205 130 K C 1.954 178.406 176.600 -0.245 0.000 1.050 130 K CA 1.286 57.383 56.287 -0.316 0.000 0.938 130 K CB -0.410 31.712 32.500 -0.631 0.000 0.718 130 K HN 0.169 nan 8.250 nan 0.000 0.442 131 A N 0.605 123.299 122.820 -0.211 0.000 2.024 131 A HA -0.167 4.153 4.320 0.000 0.000 0.220 131 A C 1.952 179.480 177.584 -0.092 0.000 1.164 131 A CA 1.421 53.374 52.037 -0.139 0.000 0.643 131 A CB -0.466 18.468 19.000 -0.109 0.000 0.806 131 A HN 0.411 nan 8.150 nan 0.000 0.451 132 Q N -0.461 119.284 119.800 -0.091 0.000 2.245 132 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 132 Q C 1.696 177.658 176.000 -0.062 0.000 0.955 132 Q CA 1.399 57.165 55.803 -0.061 0.000 0.870 132 Q CB -0.103 28.603 28.738 -0.054 0.000 0.945 132 Q HN 0.838 nan 8.270 nan 0.000 0.461 133 E N 0.442 120.589 120.200 -0.088 0.000 2.011 133 E HA -0.103 4.247 4.350 0.000 0.000 0.191 133 E C 1.857 178.419 176.600 -0.062 0.000 0.980 133 E CA 1.011 57.366 56.400 -0.075 0.000 0.814 133 E CB -0.211 29.433 29.700 -0.094 0.000 0.775 133 E HN 0.173 nan 8.360 nan 0.000 0.454 134 L N -0.435 120.745 121.223 -0.071 0.000 2.813 134 L HA -0.397 3.943 4.340 0.000 0.000 0.202 134 L C 2.005 178.850 176.870 -0.042 0.000 1.590 134 L CA 1.658 56.461 54.840 -0.062 0.000 0.767 134 L CB -1.304 40.708 42.059 -0.078 0.000 1.228 134 L HN 0.221 nan 8.230 nan 0.000 0.411 135 L N -0.665 120.535 121.223 -0.038 0.000 2.408 135 L HA 0.037 4.378 4.340 0.000 0.000 0.215 135 L C 2.422 179.284 176.870 -0.013 0.000 1.081 135 L CA 1.397 56.223 54.840 -0.023 0.000 0.840 135 L CB -0.360 41.687 42.059 -0.020 0.000 1.002 135 L HN 0.412 nan 8.230 nan 0.000 0.468 136 K N -0.519 119.871 120.400 -0.016 0.000 2.515 136 K HA -0.077 4.243 4.320 0.000 0.000 0.196 136 K C 1.790 178.387 176.600 -0.004 0.000 1.038 136 K CA 1.347 57.628 56.287 -0.009 0.000 0.967 136 K CB -0.142 32.350 32.500 -0.012 0.000 0.780 136 K HN 0.397 nan 8.250 nan 0.000 0.483 137 T N -0.938 113.613 114.554 -0.005 0.000 3.010 137 T HA -0.002 4.349 4.350 0.000 0.000 0.252 137 T C 1.673 176.385 174.700 0.020 0.000 1.047 137 T CA 0.337 62.439 62.100 0.004 0.000 1.140 137 T CB -0.208 68.660 68.868 0.000 0.000 0.885 137 T HN 0.256 nan 8.240 nan 0.000 0.464 138 I N 0.026 120.610 120.570 0.024 0.000 3.956 138 I HA 0.634 4.805 4.170 0.000 0.000 0.333 138 I C 1.067 177.216 176.117 0.053 0.000 1.302 138 I CA -1.436 59.897 61.300 0.054 0.000 1.122 138 I CB -0.902 37.129 38.000 0.053 0.000 1.013 138 I HN 0.186 nan 8.210 nan 0.000 0.405 139 A N 1.941 124.778 122.820 0.029 0.000 2.040 139 A HA -0.211 4.109 4.320 0.000 0.000 0.331 139 A C 1.143 178.741 177.584 0.023 0.000 0.907 139 A CA 0.918 52.967 52.037 0.021 0.000 1.454 139 A CB -1.560 17.447 19.000 0.011 0.000 0.658 139 A HN 0.976 nan 8.150 nan 0.000 0.276 140 C N 4.683 123.998 119.300 0.024 0.000 3.329 140 C HA 0.306 4.766 4.460 0.000 0.000 0.537 140 C C 0.613 175.610 174.990 0.011 0.000 1.034 140 C CA -0.806 58.223 59.018 0.018 0.000 1.086 140 C CB -1.940 25.811 27.740 0.018 0.000 1.392 140 C HN 0.719 nan 8.230 nan 0.000 0.612 141 E N 2.271 122.477 120.200 0.009 0.000 2.417 141 E HA 0.333 4.683 4.350 0.000 0.000 0.261 141 E C 0.369 176.972 176.600 0.005 0.000 1.000 141 E CA -0.022 56.382 56.400 0.006 0.000 0.919 141 E CB 0.576 30.279 29.700 0.005 0.000 0.955 141 E HN 0.674 nan 8.360 nan 0.000 0.455 142 V N 0.086 120.003 119.914 0.004 0.000 3.166 142 V HA 0.761 4.881 4.120 0.000 0.000 0.317 142 V C 0.675 176.770 176.094 0.002 0.000 1.136 142 V CA -0.821 61.480 62.300 0.003 0.000 1.035 142 V CB 1.489 33.314 31.823 0.003 0.000 1.110 142 V HN 0.703 nan 8.190 nan 0.000 0.450 143 G N -0.953 107.848 108.800 0.002 0.000 2.543 143 G HA2 0.564 4.524 3.960 0.000 0.000 0.290 143 G HA3 0.564 4.524 3.960 0.000 0.000 0.290 143 G C 0.633 175.533 174.900 0.001 0.000 1.310 143 G CA -0.195 44.905 45.100 0.001 0.000 1.025 143 G HN 1.345 nan 8.290 nan 0.000 0.502 144 A N -1.312 121.509 122.820 0.001 0.000 2.115 144 A HA 0.227 4.547 4.320 0.000 0.000 0.211 144 A C 1.498 179.082 177.584 -0.000 0.000 1.169 144 A CA 1.152 53.190 52.037 0.000 0.000 0.787 144 A CB -0.019 18.981 19.000 0.000 0.000 0.858 144 A HN 0.659 nan 8.150 nan 0.000 0.474 145 Q N 0.072 119.872 119.800 -0.000 0.000 2.158 145 Q HA 0.293 4.633 4.340 0.000 0.000 0.306 145 Q C -0.985 175.014 176.000 -0.000 0.000 0.878 145 Q CA -0.433 55.370 55.803 -0.001 0.000 1.136 145 Q CB -0.309 28.429 28.738 -0.001 0.000 1.253 145 Q HN 0.221 nan 8.270 nan 0.000 0.441 146 D N 1.284 121.684 120.400 0.000 0.000 2.343 146 D HA 0.031 4.671 4.640 0.000 0.000 0.255 146 D C 0.806 177.106 176.300 -0.000 0.000 1.187 146 D CA 0.017 54.017 54.000 0.000 0.000 0.875 146 D CB 1.286 42.086 40.800 0.001 0.000 1.136 146 D HN 0.275 nan 8.370 nan 0.000 0.469 147 K N 3.251 123.651 120.400 -0.000 0.000 1.973 147 K HA -0.244 4.076 4.320 0.000 0.000 0.212 147 K C 1.547 178.147 176.600 -0.000 0.000 1.047 147 K CA 1.428 57.715 56.287 -0.001 0.000 0.937 147 K CB -0.095 32.404 32.500 -0.001 0.000 0.721 147 K HN 0.621 nan 8.250 nan 0.000 0.440 148 E N 0.551 120.751 120.200 -0.000 0.000 2.245 148 E HA -0.274 4.076 4.350 0.000 0.000 0.217 148 E C 1.890 178.490 176.600 0.001 0.000 1.069 148 E CA 2.499 58.899 56.400 0.000 0.000 0.877 148 E CB -0.364 29.336 29.700 -0.000 0.000 0.757 148 E HN 0.539 nan 8.360 nan 0.000 0.464 149 I N -1.675 118.896 120.570 0.001 0.000 2.233 149 I HA -0.147 4.023 4.170 0.000 0.000 0.243 149 I C 1.945 178.063 176.117 0.002 0.000 1.093 149 I CA 1.095 62.396 61.300 0.002 0.000 1.380 149 I CB -0.441 37.560 38.000 0.002 0.000 1.067 149 I HN 0.042 nan 8.210 nan 0.000 0.413 150 L N 1.500 122.724 121.223 0.001 0.000 2.191 150 L HA -0.119 4.221 4.340 0.000 0.000 0.212 150 L C 2.673 179.544 176.870 0.001 0.000 1.103 150 L CA 2.357 57.197 54.840 0.001 0.000 0.769 150 L CB -1.405 40.653 42.059 -0.001 0.000 0.908 150 L HN 0.700 nan 8.230 nan 0.000 0.438 151 T N -5.347 109.208 114.554 0.001 0.000 3.035 151 T HA -0.077 4.273 4.350 0.000 0.000 0.259 151 T C 1.961 176.663 174.700 0.004 0.000 1.078 151 T CA 0.352 62.453 62.100 0.002 0.000 1.132 151 T CB -0.072 68.797 68.868 0.001 0.000 0.900 151 T HN 0.154 nan 8.240 nan 0.000 0.480 152 K N 0.632 121.035 120.400 0.005 0.000 2.026 152 K HA 0.014 4.334 4.320 0.000 0.000 0.208 152 K C 2.076 178.682 176.600 0.009 0.000 1.048 152 K CA 1.349 57.641 56.287 0.007 0.000 0.929 152 K CB -0.223 32.282 32.500 0.007 0.000 0.713 152 K HN 0.292 nan 8.250 nan 0.000 0.439 153 I N 0.637 121.211 120.570 0.006 0.000 2.394 153 I HA -0.162 4.008 4.170 0.000 0.000 0.251 153 I C 2.306 178.426 176.117 0.005 0.000 1.136 153 I CA 1.023 62.326 61.300 0.006 0.000 1.425 153 I CB -1.225 36.778 38.000 0.004 0.000 1.079 153 I HN 0.093 nan 8.210 nan 0.000 0.425 154 A N 1.583 124.405 122.820 0.004 0.000 1.930 154 A HA -0.153 4.167 4.320 0.000 0.000 0.215 154 A C 2.341 179.928 177.584 0.005 0.000 1.176 154 A CA 1.277 53.316 52.037 0.003 0.000 0.632 154 A CB -0.480 18.520 19.000 0.001 0.000 0.819 154 A HN 0.476 nan 8.150 nan 0.000 0.445 155 M N 0.065 119.670 119.600 0.007 0.000 2.149 155 M HA -0.116 4.364 4.480 0.000 0.000 0.261 155 M C 1.785 178.094 176.300 0.016 0.000 1.064 155 M CA 2.318 57.626 55.300 0.012 0.000 1.102 155 M CB -1.809 30.799 32.600 0.013 0.000 1.369 155 M HN 0.239 nan 8.290 nan 0.000 0.408 156 T N -1.299 113.264 114.554 0.015 0.000 2.685 156 T HA -0.179 4.171 4.350 0.000 0.000 0.268 156 T C 2.030 176.736 174.700 0.010 0.000 1.034 156 T CA 2.070 64.178 62.100 0.014 0.000 1.149 156 T CB -0.891 67.989 68.868 0.020 0.000 0.860 156 T HN 0.521 nan 8.240 nan 0.000 0.449 157 S N 0.241 115.945 115.700 0.007 0.000 2.527 157 S HA 0.324 4.794 4.470 0.000 0.000 0.222 157 S C 1.125 175.727 174.600 0.003 0.000 0.985 157 S CA 0.015 58.217 58.200 0.003 0.000 0.921 157 S CB -0.262 62.938 63.200 -0.000 0.000 0.772 157 S HN 0.479 nan 8.310 nan 0.000 0.529 158 I N 2.397 122.972 120.570 0.007 0.000 3.517 158 I HA 0.139 4.309 4.170 0.000 0.000 0.346 158 I C 0.504 176.632 176.117 0.019 0.000 1.510 158 I CA -0.202 61.104 61.300 0.010 0.000 1.090 158 I CB 0.105 38.111 38.000 0.010 0.000 1.506 158 I HN 0.182 nan 8.210 nan 0.000 0.477 159 T N -3.225 111.343 114.554 0.023 0.000 2.919 159 T HA 0.613 4.963 4.350 0.000 0.000 0.282 159 T C 1.203 175.919 174.700 0.026 0.000 1.020 159 T CA 0.024 62.146 62.100 0.036 0.000 0.994 159 T CB 1.791 70.687 68.868 0.047 0.000 1.180 159 T HN 0.319 nan 8.240 nan 0.000 0.566 160 G N 0.515 109.336 108.800 0.034 0.000 2.186 160 G HA2 -0.250 3.710 3.960 0.000 0.000 0.266 160 G HA3 -0.250 3.710 3.960 0.000 0.000 0.266 160 G C -0.027 174.885 174.900 0.020 0.000 0.982 160 G CA 0.994 46.107 45.100 0.021 0.000 0.670 160 G HN 0.916 nan 8.290 nan 0.000 0.533 161 K N -1.472 118.944 120.400 0.025 0.000 2.346 161 K HA 0.609 4.929 4.320 0.000 0.000 0.238 161 K C 1.096 177.711 176.600 0.024 0.000 1.039 161 K CA -0.487 55.810 56.287 0.016 0.000 0.861 161 K CB 1.377 33.880 32.500 0.006 0.000 1.278 161 K HN 0.174 nan 8.250 nan 0.000 0.460 162 G N -0.097 108.713 108.800 0.016 0.000 3.327 162 G HA2 0.361 4.321 3.960 0.000 0.000 0.240 162 G HA3 0.361 4.321 3.960 0.000 0.000 0.240 162 G C -0.069 174.845 174.900 0.023 0.000 1.222 162 G CA 0.104 45.218 45.100 0.024 0.000 0.871 162 G HN 0.466 nan 8.290 nan 0.000 0.525 163 A N 0.651 123.482 122.820 0.020 0.000 3.024 163 A HA 0.422 4.743 4.320 0.000 0.000 0.251 163 A C 0.596 178.190 177.584 0.017 0.000 1.267 163 A CA 0.164 52.212 52.037 0.018 0.000 1.050 163 A CB -0.329 18.680 19.000 0.015 0.000 1.400 163 A HN 0.318 nan 8.150 nan 0.000 0.756 164 E N 0.541 120.757 120.200 0.026 0.000 2.401 164 E HA -0.147 4.203 4.350 0.000 0.000 0.199 164 E C 1.334 177.945 176.600 0.019 0.000 1.023 164 E CA 1.550 57.969 56.400 0.031 0.000 0.859 164 E CB 0.114 29.848 29.700 0.056 0.000 0.780 164 E HN 0.300 nan 8.360 nan 0.000 0.523 165 K N 0.468 120.873 120.400 0.009 0.000 2.137 165 K HA 0.184 4.504 4.320 0.000 0.000 0.202 165 K C 1.919 178.515 176.600 -0.006 0.000 1.052 165 K CA 1.080 57.363 56.287 -0.006 0.000 0.961 165 K CB -0.400 32.089 32.500 -0.019 0.000 0.741 165 K HN 0.245 nan 8.250 nan 0.000 0.452 166 A N 1.972 124.792 122.820 0.000 0.000 2.239 166 A HA -0.142 4.179 4.320 0.000 0.000 0.209 166 A C 1.787 179.372 177.584 0.002 0.000 1.171 166 A CA 1.228 53.265 52.037 0.001 0.000 0.768 166 A CB -0.515 18.489 19.000 0.006 0.000 0.790 166 A HN 0.451 nan 8.150 nan 0.000 0.478 167 K N 0.372 120.774 120.400 0.004 0.000 2.127 167 K HA -0.269 4.051 4.320 0.000 0.000 0.208 167 K C 1.713 178.314 176.600 0.003 0.000 1.047 167 K CA 1.694 57.984 56.287 0.005 0.000 0.927 167 K CB -0.344 32.161 32.500 0.009 0.000 0.716 167 K HN 0.460 nan 8.250 nan 0.000 0.450 168 E N 1.474 121.674 120.200 -0.000 0.000 2.070 168 E HA -0.248 4.102 4.350 0.000 0.000 0.197 168 E C 1.515 178.115 176.600 -0.000 0.000 1.004 168 E CA 1.705 58.104 56.400 -0.001 0.000 0.805 168 E CB 0.033 29.732 29.700 -0.001 0.000 0.744 168 E HN 0.319 nan 8.360 nan 0.000 0.451 169 K N -0.188 120.212 120.400 0.000 0.000 2.358 169 K HA 0.209 4.529 4.320 0.000 0.000 0.197 169 K C 1.848 178.450 176.600 0.003 0.000 1.025 169 K CA 0.004 56.292 56.287 0.002 0.000 1.104 169 K CB 0.174 32.675 32.500 0.002 0.000 0.855 169 K HN 0.132 nan 8.250 nan 0.000 0.531 170 L N -0.714 120.511 121.223 0.003 0.000 2.341 170 L HA 0.141 4.481 4.340 0.000 0.000 0.214 170 L C 1.945 178.816 176.870 0.001 0.000 1.115 170 L CA 0.818 55.660 54.840 0.003 0.000 0.820 170 L CB -0.163 41.898 42.059 0.003 0.000 0.944 170 L HN 0.143 nan 8.230 nan 0.000 0.452 171 A N -0.329 122.491 122.820 0.001 0.000 2.030 171 A HA -0.119 4.201 4.320 0.000 0.000 0.215 171 A C 2.146 179.730 177.584 -0.000 0.000 1.164 171 A CA 0.986 53.023 52.037 0.001 0.000 0.697 171 A CB -0.021 18.980 19.000 0.002 0.000 0.827 171 A HN 0.362 nan 8.150 nan 0.000 0.457 172 E N 0.316 120.516 120.200 0.000 0.000 2.099 172 E HA -0.032 4.318 4.350 0.000 0.000 0.191 172 E C 1.858 178.457 176.600 -0.001 0.000 0.962 172 E CA 0.895 57.295 56.400 -0.000 0.000 0.826 172 E CB -0.253 29.447 29.700 0.000 0.000 0.788 172 E HN 0.675 nan 8.360 nan 0.000 0.461 173 I N 0.204 120.774 120.570 0.000 0.000 2.614 173 I HA -0.096 4.074 4.170 0.000 0.000 0.258 173 I C 2.303 178.418 176.117 -0.003 0.000 1.189 173 I CA 0.842 62.142 61.300 -0.000 0.000 1.462 173 I CB -0.602 37.400 38.000 0.004 0.000 1.092 173 I HN 0.208 nan 8.210 nan 0.000 0.442 174 I N -0.224 120.344 120.570 -0.004 0.000 2.315 174 I HA -0.119 4.051 4.170 0.000 0.000 0.248 174 I C 2.292 178.405 176.117 -0.008 0.000 1.117 174 I CA 1.287 62.584 61.300 -0.006 0.000 1.404 174 I CB -0.749 37.248 38.000 -0.006 0.000 1.071 174 I HN 0.067 nan 8.210 nan 0.000 0.419 175 V N 1.741 121.651 119.914 -0.006 0.000 2.407 175 V HA -0.228 3.893 4.120 0.000 0.000 0.248 175 V C 2.500 178.589 176.094 -0.007 0.000 1.055 175 V CA 2.228 64.525 62.300 -0.006 0.000 1.049 175 V CB -0.852 30.969 31.823 -0.004 0.000 0.662 175 V HN 0.505 nan 8.190 nan 0.000 0.455 176 E N -0.173 120.023 120.200 -0.007 0.000 2.318 176 E HA 0.063 4.413 4.350 0.000 0.000 0.193 176 E C 2.116 178.708 176.600 -0.014 0.000 0.998 176 E CA 0.861 57.256 56.400 -0.009 0.000 0.859 176 E CB -0.076 29.621 29.700 -0.006 0.000 0.812 176 E HN 0.584 nan 8.360 nan 0.000 0.492 177 A N 0.637 123.448 122.820 -0.015 0.000 2.178 177 A HA 0.038 4.358 4.320 0.000 0.000 0.211 177 A C 1.993 179.563 177.584 -0.023 0.000 1.157 177 A CA 0.300 52.325 52.037 -0.021 0.000 0.780 177 A CB 0.328 19.316 19.000 -0.020 0.000 0.828 177 A HN 0.077 nan 8.150 nan 0.000 0.476 178 V N -0.868 119.035 119.914 -0.018 0.000 3.644 178 V HA 0.016 4.136 4.120 0.000 0.000 0.267 178 V C 2.082 178.166 176.094 -0.016 0.000 1.277 178 V CA 1.321 63.610 62.300 -0.018 0.000 1.096 178 V CB 0.253 32.068 31.823 -0.014 0.000 0.828 178 V HN 0.425 nan 8.190 nan 0.000 0.446 179 S N 1.059 116.750 115.700 -0.015 0.000 2.446 179 S HA 0.090 4.560 4.470 0.000 0.000 0.225 179 S C 2.104 176.693 174.600 -0.019 0.000 1.016 179 S CA 1.166 59.358 58.200 -0.014 0.000 0.943 179 S CB 0.049 63.243 63.200 -0.009 0.000 0.786 179 S HN 0.627 nan 8.310 nan 0.000 0.508 180 A N 0.991 123.794 122.820 -0.027 0.000 2.081 180 A HA 0.151 4.472 4.320 0.000 0.000 0.214 180 A C 2.164 179.711 177.584 -0.062 0.000 1.158 180 A CA 0.855 52.867 52.037 -0.042 0.000 0.724 180 A CB -0.399 18.576 19.000 -0.042 0.000 0.826 180 A HN 0.444 nan 8.150 nan 0.000 0.463 181 V N -2.413 117.469 119.914 -0.052 0.000 2.725 181 V HA 0.123 4.244 4.120 0.000 0.000 0.247 181 V C 1.321 177.394 176.094 -0.035 0.000 1.058 181 V CA 0.748 63.015 62.300 -0.054 0.000 1.080 181 V CB -0.837 30.960 31.823 -0.042 0.000 0.713 181 V HN 0.348 nan 8.190 nan 0.000 0.465 182 V N 5.045 124.946 119.914 -0.022 0.000 2.370 182 V HA 0.238 4.358 4.120 0.000 0.000 0.257 182 V C -0.197 175.894 176.094 -0.004 0.000 1.064 182 V CA -0.697 61.596 62.300 -0.011 0.000 0.975 182 V CB -0.766 31.052 31.823 -0.008 0.000 1.067 182 V HN 0.671 nan 8.190 nan 0.000 0.485 183 D N 5.978 126.380 120.400 0.003 0.000 2.390 183 D HA 0.075 4.715 4.640 0.000 0.000 0.249 183 D C 0.302 176.608 176.300 0.011 0.000 1.144 183 D CA 0.107 54.116 54.000 0.015 0.000 0.880 183 D CB 0.983 41.797 40.800 0.023 0.000 1.182 183 D HN 0.817 nan 8.370 nan 0.000 0.451 184 D N 2.017 122.424 120.400 0.011 0.000 2.872 184 D HA -0.207 4.433 4.640 0.000 0.000 0.248 184 D C -0.004 176.299 176.300 0.005 0.000 1.104 184 D CA 0.242 54.247 54.000 0.008 0.000 0.784 184 D CB -0.615 40.191 40.800 0.009 0.000 1.036 184 D HN 0.663 nan 8.370 nan 0.000 0.426 185 E N 0.008 120.211 120.200 0.004 0.000 0.881 185 E HA -0.168 4.183 4.350 0.000 0.000 0.212 185 E C 0.904 177.505 176.600 0.002 0.000 0.456 185 E CA 1.418 57.820 56.400 0.002 0.000 0.590 185 E CB -1.024 28.677 29.700 0.001 0.000 0.997 185 E HN 0.646 nan 8.360 nan 0.000 0.257 186 G N 2.877 111.678 108.800 0.001 0.000 4.251 186 G HA2 -0.066 3.894 3.960 0.000 0.000 0.147 186 G HA3 -0.066 3.894 3.960 0.000 0.000 0.147 186 G C 0.124 175.024 174.900 0.000 0.000 1.014 186 G CA 0.163 45.264 45.100 0.001 0.000 0.831 186 G HN 0.271 nan 8.290 nan 0.000 0.539 187 K N 0.766 121.166 120.400 -0.000 0.000 2.896 187 K HA 0.565 4.885 4.320 0.000 0.000 0.228 187 K C -1.871 174.728 176.600 -0.002 0.000 1.151 187 K CA -0.318 55.969 56.287 -0.001 0.000 1.035 187 K CB 1.643 34.143 32.500 -0.000 0.000 1.263 187 K HN -0.012 nan 8.250 nan 0.000 0.574 188 V N 2.660 122.571 119.914 -0.004 0.000 2.407 188 V HA 0.361 4.481 4.120 0.000 0.000 0.291 188 V C -0.917 175.172 176.094 -0.008 0.000 1.018 188 V CA -0.590 61.706 62.300 -0.006 0.000 0.842 188 V CB 1.524 33.343 31.823 -0.007 0.000 0.996 188 V HN 0.634 nan 8.190 nan 0.000 0.426 189 D N 3.160 123.553 120.400 -0.011 0.000 2.481 189 D HA 0.501 5.141 4.640 0.000 0.000 0.244 189 D C 0.413 176.704 176.300 -0.015 0.000 1.057 189 D CA -0.531 53.462 54.000 -0.012 0.000 0.848 189 D CB 2.652 43.445 40.800 -0.012 0.000 1.388 189 D HN 0.437 nan 8.370 nan 0.000 0.475 190 K N 1.314 121.705 120.400 -0.015 0.000 2.329 190 K HA 0.057 4.377 4.320 0.000 0.000 0.198 190 K C 0.689 177.278 176.600 -0.018 0.000 1.085 190 K CA -0.202 56.075 56.287 -0.015 0.000 0.961 190 K CB 0.406 32.898 32.500 -0.013 0.000 0.971 190 K HN 0.199 nan 8.250 nan 0.000 0.502 191 D N 2.853 123.242 120.400 -0.019 0.000 2.327 191 D HA -0.215 4.425 4.640 0.000 0.000 0.205 191 D C 1.856 178.140 176.300 -0.027 0.000 1.036 191 D CA 1.888 55.875 54.000 -0.022 0.000 0.897 191 D CB -0.495 40.293 40.800 -0.019 0.000 1.117 191 D HN 0.070 nan 8.370 nan 0.000 0.471 192 L N -0.620 120.587 121.223 -0.028 0.000 2.494 192 L HA -0.260 4.080 4.340 0.000 0.000 0.217 192 L C 0.671 177.518 176.870 -0.038 0.000 1.089 192 L CA 1.659 56.479 54.840 -0.034 0.000 0.828 192 L CB -2.301 39.736 42.059 -0.038 0.000 0.889 192 L HN 0.193 nan 8.230 nan 0.000 0.450 193 I N 0.785 121.335 120.570 -0.033 0.000 2.388 193 I HA 0.309 4.479 4.170 0.000 0.000 0.281 193 I C 0.557 176.653 176.117 -0.035 0.000 1.046 193 I CA -0.560 60.719 61.300 -0.034 0.000 1.187 193 I CB 1.103 39.086 38.000 -0.028 0.000 1.351 193 I HN 0.047 nan 8.210 nan 0.000 0.472 194 K N 7.540 127.914 120.400 -0.044 0.000 2.219 194 K HA 0.452 4.772 4.320 0.000 0.000 0.258 194 K C -0.153 176.421 176.600 -0.043 0.000 1.008 194 K CA -0.170 56.089 56.287 -0.048 0.000 0.928 194 K CB 0.825 33.287 32.500 -0.063 0.000 0.983 194 K HN 0.694 nan 8.250 nan 0.000 0.484 195 I N 0.881 121.426 120.570 -0.041 0.000 2.796 195 I HA 0.303 4.473 4.170 0.000 0.000 0.279 195 I C -0.604 175.493 176.117 -0.034 0.000 1.289 195 I CA -0.976 60.304 61.300 -0.032 0.000 1.021 195 I CB 0.779 38.764 38.000 -0.025 0.000 1.414 195 I HN 0.576 nan 8.210 nan 0.000 0.562 196 E N 4.360 124.531 120.200 -0.047 0.000 2.409 196 E HA 0.326 4.676 4.350 0.000 0.000 0.257 196 E C -0.820 175.766 176.600 -0.024 0.000 1.150 196 E CA 0.292 56.662 56.400 -0.050 0.000 0.942 196 E CB 0.815 30.459 29.700 -0.093 0.000 0.979 196 E HN 0.592 nan 8.360 nan 0.000 0.447 197 K N 2.108 122.497 120.400 -0.018 0.000 2.615 197 K HA 0.501 4.821 4.320 0.000 0.000 0.249 197 K C -0.858 175.749 176.600 0.012 0.000 0.977 197 K CA -0.907 55.382 56.287 0.004 0.000 0.833 197 K CB 1.761 34.264 32.500 0.006 0.000 1.208 197 K HN 0.140 nan 8.250 nan 0.000 0.443 198 K N 0.787 121.202 120.400 0.025 0.000 2.439 198 K HA 0.538 4.858 4.320 0.000 0.000 0.260 198 K C -0.749 175.873 176.600 0.036 0.000 1.032 198 K CA -0.998 55.310 56.287 0.035 0.000 0.882 198 K CB 2.253 34.787 32.500 0.056 0.000 1.420 198 K HN 0.549 nan 8.250 nan 0.000 0.455 199 S N -0.241 115.481 115.700 0.036 0.000 2.489 199 S HA 0.766 5.236 4.470 0.000 0.000 0.291 199 S C -0.238 174.379 174.600 0.029 0.000 1.151 199 S CA -0.474 57.743 58.200 0.029 0.000 1.082 199 S CB 1.351 64.565 63.200 0.023 0.000 1.019 199 S HN 0.805 nan 8.310 nan 0.000 0.492 200 G N 0.950 109.765 108.800 0.025 0.000 3.313 200 G HA2 0.536 4.497 3.960 0.000 0.000 0.659 200 G HA3 0.536 4.497 3.960 0.000 0.000 0.659 200 G C -0.462 174.451 174.900 0.022 0.000 1.286 200 G CA -0.242 44.871 45.100 0.022 0.000 1.077 200 G HN 1.602 nan 8.290 nan 0.000 0.551 201 A N 0.249 123.078 122.820 0.016 0.000 2.867 201 A HA 0.881 5.201 4.320 0.000 0.000 0.250 201 A C 0.326 177.917 177.584 0.011 0.000 1.055 201 A CA 0.997 53.043 52.037 0.014 0.000 0.575 201 A CB -0.769 18.239 19.000 0.012 0.000 1.686 201 A HN 2.499 nan 8.150 nan 0.000 0.837 202 S N -2.150 113.556 115.700 0.011 0.000 4.199 202 S HA 0.698 5.168 4.470 0.000 0.000 0.257 202 S C 1.011 175.617 174.600 0.011 0.000 1.079 202 S CA 0.210 58.416 58.200 0.010 0.000 1.498 202 S CB 0.058 63.261 63.200 0.006 0.000 1.260 202 S HN 1.156 nan 8.310 nan 0.000 0.749 203 I N 1.028 121.604 120.570 0.008 0.000 2.703 203 I HA 0.157 4.327 4.170 0.000 0.000 0.259 203 I C 0.997 177.119 176.117 0.008 0.000 1.151 203 I CA 0.718 62.023 61.300 0.009 0.000 1.470 203 I CB -0.373 37.630 38.000 0.007 0.000 1.112 203 I HN 0.391 nan 8.210 nan 0.000 0.437 204 D N 0.880 121.284 120.400 0.006 0.000 2.355 204 D HA -0.048 4.593 4.640 0.000 0.000 0.206 204 D C 0.461 176.766 176.300 0.008 0.000 1.010 204 D CA 0.678 54.681 54.000 0.005 0.000 0.875 204 D CB 0.187 40.989 40.800 0.002 0.000 0.966 204 D HN 0.191 nan 8.370 nan 0.000 0.512 205 D N 1.351 121.757 120.400 0.010 0.000 2.652 205 D HA -0.025 4.615 4.640 0.000 0.000 0.247 205 D C 0.071 176.383 176.300 0.020 0.000 1.232 205 D CA 0.206 54.215 54.000 0.014 0.000 0.863 205 D CB -0.346 40.462 40.800 0.014 0.000 1.023 205 D HN 0.049 nan 8.370 nan 0.000 0.474 206 T N -1.302 113.263 114.554 0.019 0.000 2.739 206 T HA 0.281 4.631 4.350 0.000 0.000 0.298 206 T C 0.355 175.069 174.700 0.024 0.000 0.929 206 T CA -0.893 61.220 62.100 0.023 0.000 1.014 206 T CB 0.653 69.532 68.868 0.018 0.000 0.914 206 T HN 0.201 nan 8.240 nan 0.000 0.509 207 E N 2.959 123.179 120.200 0.034 0.000 2.280 207 E HA 0.521 4.872 4.350 0.000 0.000 0.261 207 E C -0.633 175.987 176.600 0.032 0.000 1.088 207 E CA -1.236 55.185 56.400 0.035 0.000 0.915 207 E CB 0.822 30.549 29.700 0.046 0.000 1.141 207 E HN 0.458 nan 8.360 nan 0.000 0.433 208 L N 2.092 123.332 121.223 0.028 0.000 2.556 208 L HA 0.299 4.639 4.340 0.000 0.000 0.243 208 L C -0.745 176.140 176.870 0.025 0.000 1.331 208 L CA -0.473 54.379 54.840 0.020 0.000 0.927 208 L CB 0.414 42.478 42.059 0.008 0.000 1.219 208 L HN 0.569 nan 8.230 nan 0.000 0.490 209 I N -0.047 120.547 120.570 0.041 0.000 2.581 209 I HA 0.116 4.286 4.170 0.000 0.000 0.285 209 I C 0.740 176.869 176.117 0.021 0.000 1.129 209 I CA -0.206 61.125 61.300 0.051 0.000 1.397 209 I CB 0.305 38.365 38.000 0.100 0.000 1.399 209 I HN 0.504 nan 8.210 nan 0.000 0.537 210 K N 4.839 125.248 120.400 0.015 0.000 2.818 210 K HA 0.083 4.403 4.320 0.000 0.000 0.222 210 K C 0.773 177.368 176.600 -0.009 0.000 0.929 210 K CA 0.399 56.684 56.287 -0.002 0.000 1.026 210 K CB -0.753 31.738 32.500 -0.016 0.000 0.853 210 K HN 0.947 nan 8.250 nan 0.000 0.473 211 G N -0.076 108.721 108.800 -0.006 0.000 3.366 211 G HA2 0.460 4.420 3.960 0.000 0.000 0.179 211 G HA3 0.460 4.420 3.960 0.000 0.000 0.179 211 G C -1.222 173.650 174.900 -0.048 0.000 1.143 211 G CA -0.457 44.632 45.100 -0.018 0.000 0.810 211 G HN 0.017 nan 8.290 nan 0.000 0.697 212 V N 0.774 120.644 119.914 -0.072 0.000 2.567 212 V HA 0.471 4.591 4.120 0.000 0.000 0.298 212 V C -1.155 174.826 176.094 -0.187 0.000 1.047 212 V CA -0.337 61.883 62.300 -0.133 0.000 0.880 212 V CB 1.717 33.449 31.823 -0.152 0.000 1.009 212 V HN 0.535 nan 8.190 nan 0.000 0.429 213 L N 6.796 127.883 121.223 -0.226 0.000 2.324 213 L HA 0.674 5.014 4.340 0.000 0.000 0.274 213 L C -0.051 176.643 176.870 -0.293 0.000 1.012 213 L CA -0.453 54.167 54.840 -0.367 0.000 0.859 213 L CB 1.423 43.184 42.059 -0.498 0.000 1.224 213 L HN 0.662 nan 8.230 nan 0.000 0.429 214 V N 0.603 120.366 119.914 -0.251 0.000 3.463 214 V HA 0.488 4.608 4.120 0.000 0.000 0.302 214 V C -0.031 175.999 176.094 -0.107 0.000 1.097 214 V CA -0.646 61.555 62.300 -0.165 0.000 1.003 214 V CB 1.558 33.288 31.823 -0.155 0.000 1.229 214 V HN 0.549 nan 8.190 nan 0.000 0.444 215 D N 0.980 121.349 120.400 -0.053 0.000 3.163 215 D HA 0.336 4.976 4.640 0.000 0.000 0.284 215 D C -0.519 175.792 176.300 0.019 0.000 1.368 215 D CA -0.086 53.899 54.000 -0.025 0.000 0.895 215 D CB 0.005 40.788 40.800 -0.030 0.000 1.061 215 D HN 0.409 nan 8.370 nan 0.000 0.496 216 K N 0.725 121.156 120.400 0.053 0.000 2.397 216 K HA 0.371 4.691 4.320 0.000 0.000 0.253 216 K C 0.219 176.870 176.600 0.085 0.000 0.932 216 K CA -0.565 55.773 56.287 0.085 0.000 0.795 216 K CB 2.357 34.916 32.500 0.099 0.000 1.159 216 K HN 0.102 nan 8.250 nan 0.000 0.424 217 E N 1.512 121.747 120.200 0.059 0.000 2.314 217 E HA 0.252 4.602 4.350 0.000 0.000 0.262 217 E C -0.254 176.362 176.600 0.027 0.000 1.093 217 E CA -0.675 55.752 56.400 0.047 0.000 0.908 217 E CB 1.025 30.745 29.700 0.035 0.000 1.091 217 E HN 0.096 nan 8.360 nan 0.000 0.425 218 R N 1.705 122.211 120.500 0.010 0.000 2.343 218 R HA -0.007 4.333 4.340 0.000 0.000 0.326 218 R C 1.074 177.360 176.300 -0.023 0.000 1.055 218 R CA -0.125 55.961 56.100 -0.022 0.000 0.961 218 R CB 0.422 30.706 30.300 -0.026 0.000 0.978 218 R HN 0.443 nan 8.270 nan 0.000 0.443 219 V N 2.634 122.531 119.914 -0.028 0.000 2.352 219 V HA -0.376 3.744 4.120 0.000 0.000 0.247 219 V C 0.825 176.904 176.094 -0.025 0.000 1.073 219 V CA 2.505 64.790 62.300 -0.025 0.000 1.104 219 V CB -0.113 31.693 31.823 -0.028 0.000 0.847 219 V HN 0.818 nan 8.190 nan 0.000 0.472 220 S N -2.442 113.234 115.700 -0.039 0.000 2.482 220 S HA 0.683 5.153 4.470 0.000 0.000 0.303 220 S C 0.651 175.219 174.600 -0.054 0.000 1.091 220 S CA -0.149 58.020 58.200 -0.052 0.000 1.057 220 S CB 1.733 64.890 63.200 -0.072 0.000 1.031 220 S HN 0.748 nan 8.310 nan 0.000 0.485 221 A N 3.839 126.626 122.820 -0.054 0.000 2.015 221 A HA -0.052 4.269 4.320 0.000 0.000 0.219 221 A C 2.042 179.587 177.584 -0.066 0.000 1.163 221 A CA 1.064 53.071 52.037 -0.050 0.000 0.646 221 A CB -0.442 18.531 19.000 -0.046 0.000 0.806 221 A HN 0.786 nan 8.150 nan 0.000 0.448 222 Q N -0.278 119.459 119.800 -0.105 0.000 2.079 222 Q HA -0.033 4.307 4.340 0.000 0.000 0.200 222 Q C 0.679 176.624 176.000 -0.091 0.000 0.974 222 Q CA 0.610 56.334 55.803 -0.132 0.000 0.840 222 Q CB -0.465 28.122 28.738 -0.252 0.000 0.898 222 Q HN 0.763 nan 8.270 nan 0.000 0.430 223 M N 2.594 122.148 119.600 -0.077 0.000 2.504 223 M HA -0.033 4.447 4.480 0.000 0.000 0.378 223 M C -2.044 174.229 176.300 -0.045 0.000 1.706 223 M CA -0.803 54.461 55.300 -0.059 0.000 1.036 223 M CB -0.460 32.103 32.600 -0.063 0.000 2.129 223 M HN -0.201 nan 8.290 nan 0.000 0.474 224 P HA -0.153 nan 4.420 nan 0.000 0.257 224 P C -0.150 177.139 177.300 -0.020 0.000 1.144 224 P CA 0.646 63.731 63.100 -0.024 0.000 0.761 224 P CB 0.386 32.074 31.700 -0.020 0.000 0.734 225 K N 3.879 124.271 120.400 -0.013 0.000 3.077 225 K HA 0.052 4.373 4.320 0.000 0.000 0.269 225 K C 0.087 176.689 176.600 0.003 0.000 0.973 225 K CA 0.453 56.737 56.287 -0.005 0.000 1.162 225 K CB -1.074 31.423 32.500 -0.005 0.000 1.079 225 K HN 0.407 nan 8.250 nan 0.000 0.456 226 K N -1.847 118.556 120.400 0.005 0.000 3.002 226 K HA -0.021 4.299 4.320 0.000 0.000 0.504 226 K C -1.799 174.807 176.600 0.009 0.000 1.288 226 K CA -0.210 56.085 56.287 0.012 0.000 1.042 226 K CB -0.499 32.003 32.500 0.004 0.000 1.524 226 K HN -0.136 nan 8.250 nan 0.000 0.421 227 V N 4.286 124.210 119.914 0.017 0.000 2.334 227 V HA 0.314 4.434 4.120 0.000 0.000 0.281 227 V C 1.419 177.527 176.094 0.024 0.000 1.016 227 V CA -0.029 62.281 62.300 0.017 0.000 0.832 227 V CB 0.669 32.500 31.823 0.013 0.000 0.999 227 V HN 0.970 nan 8.190 nan 0.000 0.439 228 T N 2.492 117.055 114.554 0.017 0.000 4.131 228 T HA -0.135 4.215 4.350 0.000 0.000 0.196 228 T C 0.485 175.199 174.700 0.024 0.000 1.241 228 T CA 0.946 63.057 62.100 0.018 0.000 1.712 228 T CB -0.446 68.429 68.868 0.012 0.000 1.008 228 T HN 0.815 nan 8.240 nan 0.000 0.318 229 D N 2.571 122.982 120.400 0.019 0.000 2.412 229 D HA 0.404 5.044 4.640 0.000 0.000 0.257 229 D C -0.480 175.835 176.300 0.026 0.000 1.217 229 D CA -0.247 53.767 54.000 0.022 0.000 0.897 229 D CB 0.272 41.087 40.800 0.025 0.000 1.132 229 D HN 0.759 nan 8.370 nan 0.000 0.493 230 A N 2.503 125.344 122.820 0.035 0.000 2.386 230 A HA 0.531 4.851 4.320 0.000 0.000 0.311 230 A C -0.687 176.925 177.584 0.046 0.000 1.068 230 A CA -1.079 50.982 52.037 0.040 0.000 0.743 230 A CB 1.437 20.469 19.000 0.053 0.000 1.258 230 A HN 0.280 nan 8.150 nan 0.000 0.429 231 K N 2.106 122.530 120.400 0.040 0.000 2.419 231 K HA 0.516 4.836 4.320 0.000 0.000 0.244 231 K C -0.820 175.814 176.600 0.056 0.000 1.045 231 K CA -0.144 56.169 56.287 0.043 0.000 1.004 231 K CB 0.336 32.854 32.500 0.029 0.000 1.376 231 K HN 0.590 nan 8.250 nan 0.000 0.460 232 I N 1.758 122.380 120.570 0.087 0.000 2.696 232 I HA 0.219 4.389 4.170 0.000 0.000 0.284 232 I C 0.229 176.411 176.117 0.109 0.000 1.129 232 I CA 0.228 61.607 61.300 0.132 0.000 1.410 232 I CB 0.994 39.124 38.000 0.217 0.000 1.399 232 I HN 0.585 nan 8.210 nan 0.000 0.579 233 A N 7.353 130.242 122.820 0.116 0.000 2.357 233 A HA 0.724 5.044 4.320 0.000 0.000 0.295 233 A C -0.837 176.818 177.584 0.120 0.000 1.121 233 A CA -0.643 51.445 52.037 0.084 0.000 0.742 233 A CB 0.500 19.528 19.000 0.047 0.000 1.181 233 A HN 0.613 nan 8.150 nan 0.000 0.454 234 L N 2.980 124.265 121.223 0.104 0.000 2.260 234 L HA 0.498 4.838 4.340 0.000 0.000 0.289 234 L C -0.732 176.180 176.870 0.070 0.000 1.057 234 L CA -0.186 54.716 54.840 0.102 0.000 0.811 234 L CB 0.313 42.417 42.059 0.074 0.000 1.184 234 L HN 0.526 nan 8.230 nan 0.000 0.429 235 L N 3.840 125.110 121.223 0.078 0.000 2.296 235 L HA 0.355 4.696 4.340 0.000 0.000 0.286 235 L C 0.686 177.588 176.870 0.054 0.000 1.023 235 L CA -0.375 54.498 54.840 0.054 0.000 0.812 235 L CB 1.584 43.671 42.059 0.047 0.000 1.223 235 L HN 0.619 nan 8.230 nan 0.000 0.421 236 N N 1.988 120.711 118.700 0.038 0.000 2.251 236 N HA 0.016 4.756 4.740 0.000 0.000 0.217 236 N C -0.648 174.879 175.510 0.027 0.000 1.124 236 N CA -0.408 52.661 53.050 0.032 0.000 0.843 236 N CB 0.449 38.951 38.487 0.025 0.000 1.024 236 N HN 0.523 nan 8.380 nan 0.000 0.501 237 C N 0.958 120.275 119.300 0.027 0.000 2.340 237 C HA 0.828 5.288 4.460 0.000 0.000 0.323 237 C C 0.605 175.609 174.990 0.023 0.000 1.260 237 C CA -0.783 58.249 59.018 0.023 0.000 1.464 237 C CB -0.521 27.230 27.740 0.018 0.000 2.156 237 C HN 0.567 nan 8.230 nan 0.000 0.476 238 A N 5.173 128.005 122.820 0.021 0.000 2.062 238 A HA -0.165 4.155 4.320 0.000 0.000 0.330 238 A C 0.700 178.297 177.584 0.021 0.000 0.781 238 A CA 0.895 52.944 52.037 0.020 0.000 1.457 238 A CB -0.483 18.527 19.000 0.017 0.000 0.630 238 A HN 1.512 nan 8.150 nan 0.000 0.241 239 I N 1.190 121.774 120.570 0.024 0.000 3.493 239 I HA -0.046 4.124 4.170 0.000 0.000 0.311 239 I C 1.083 177.216 176.117 0.027 0.000 1.210 239 I CA 0.854 62.169 61.300 0.026 0.000 1.210 239 I CB -0.388 37.629 38.000 0.029 0.000 0.993 239 I HN 0.733 nan 8.210 nan 0.000 0.539 240 E N 1.508 121.722 120.200 0.022 0.000 2.081 240 E HA 0.367 4.717 4.350 0.000 0.000 0.281 240 E C -0.748 175.863 176.600 0.019 0.000 0.986 240 E CA -0.415 55.997 56.400 0.020 0.000 0.796 240 E CB 0.663 30.374 29.700 0.017 0.000 1.085 240 E HN 0.070 nan 8.360 nan 0.000 0.398 241 E N 2.477 122.690 120.200 0.021 0.000 2.388 241 E HA 0.216 4.566 4.350 0.000 0.000 0.281 241 E C -1.413 175.200 176.600 0.021 0.000 1.046 241 E CA -0.715 55.697 56.400 0.020 0.000 0.825 241 E CB 1.930 31.645 29.700 0.024 0.000 1.243 241 E HN 0.457 nan 8.360 nan 0.000 0.438 242 T N 1.148 115.713 114.554 0.018 0.000 2.749 242 T HA 0.538 4.888 4.350 0.000 0.000 0.295 242 T C 0.273 174.985 174.700 0.020 0.000 0.936 242 T CA 0.196 62.306 62.100 0.017 0.000 1.060 242 T CB 0.340 69.215 68.868 0.012 0.000 0.904 242 T HN 0.554 nan 8.240 nan 0.000 0.500 243 A N 4.379 127.211 122.820 0.021 0.000 2.695 243 A HA 0.283 4.603 4.320 0.000 0.000 0.230 243 A C 1.103 178.706 177.584 0.032 0.000 1.273 243 A CA 0.996 53.048 52.037 0.026 0.000 1.081 243 A CB -0.772 18.236 19.000 0.013 0.000 1.054 243 A HN 1.536 nan 8.150 nan 0.000 0.515 244 S N -1.062 114.665 115.700 0.045 0.000 3.238 244 S HA -0.297 4.173 4.470 0.000 0.000 0.635 244 S C 1.240 175.876 174.600 0.060 0.000 2.771 244 S CA 1.832 60.068 58.200 0.060 0.000 2.973 244 S CB -1.341 61.881 63.200 0.036 0.000 0.332 244 S HN 1.983 nan 8.310 nan 0.000 1.788 245 E N -0.157 120.069 120.200 0.044 0.000 2.950 245 E HA -0.404 3.946 4.350 0.000 0.000 0.208 245 E C 1.861 178.472 176.600 0.018 0.000 0.906 245 E CA 2.835 59.249 56.400 0.024 0.000 1.607 245 E CB -0.813 28.892 29.700 0.009 0.000 1.582 245 E HN 0.627 nan 8.360 nan 0.000 0.440 246 M N -0.128 119.484 119.600 0.020 0.000 2.089 246 M HA -0.241 4.239 4.480 0.000 0.000 0.257 246 M C 2.629 178.945 176.300 0.027 0.000 1.071 246 M CA 2.020 57.331 55.300 0.018 0.000 1.096 246 M CB -0.449 32.160 32.600 0.015 0.000 1.330 246 M HN 0.457 nan 8.290 nan 0.000 0.403 247 L N 0.138 121.389 121.223 0.046 0.000 2.081 247 L HA -0.241 4.099 4.340 0.000 0.000 0.212 247 L C 2.294 179.219 176.870 0.091 0.000 1.080 247 L CA 1.957 56.839 54.840 0.071 0.000 0.754 247 L CB -0.333 41.767 42.059 0.068 0.000 0.893 247 L HN 0.188 nan 8.230 nan 0.000 0.433 248 K N -1.339 119.100 120.400 0.065 0.000 2.168 248 K HA -0.052 4.268 4.320 0.000 0.000 0.201 248 K C 1.558 178.106 176.600 -0.086 0.000 1.049 248 K CA 0.705 56.973 56.287 -0.032 0.000 0.974 248 K CB 0.093 32.489 32.500 -0.173 0.000 0.792 248 K HN 0.215 nan 8.250 nan 0.000 0.463 249 D N 0.660 121.030 120.400 -0.051 0.000 2.389 249 D HA -0.127 4.514 4.640 0.000 0.000 0.221 249 D C 1.272 177.555 176.300 -0.028 0.000 0.974 249 D CA 1.094 55.065 54.000 -0.047 0.000 0.923 249 D CB 0.142 40.922 40.800 -0.033 0.000 0.892 249 D HN 0.303 nan 8.370 nan 0.000 0.518 250 M N -0.965 118.629 119.600 -0.009 0.000 2.510 250 M HA -0.009 4.471 4.480 0.000 0.000 0.256 250 M C 1.842 178.147 176.300 0.009 0.000 1.132 250 M CA 0.210 55.513 55.300 0.004 0.000 1.105 250 M CB 0.757 33.366 32.600 0.015 0.000 1.375 250 M HN -0.137 nan 8.290 nan 0.000 0.477 251 V N -0.426 119.493 119.914 0.009 0.000 2.446 251 V HA 0.019 4.139 4.120 0.000 0.000 0.244 251 V C 2.447 178.525 176.094 -0.026 0.000 1.039 251 V CA 1.573 63.880 62.300 0.011 0.000 1.045 251 V CB -1.294 30.571 31.823 0.070 0.000 0.681 251 V HN 0.444 nan 8.190 nan 0.000 0.459 252 A N -0.703 122.075 122.820 -0.071 0.000 2.216 252 A HA -0.129 4.191 4.320 0.000 0.000 0.214 252 A C 2.195 179.753 177.584 -0.043 0.000 1.160 252 A CA 1.281 53.272 52.037 -0.076 0.000 0.725 252 A CB -0.318 18.614 19.000 -0.114 0.000 0.784 252 A HN 0.507 nan 8.150 nan 0.000 0.472 253 E N 0.238 120.421 120.200 -0.028 0.000 2.045 253 E HA -0.067 4.284 4.350 0.000 0.000 0.190 253 E C 1.903 178.498 176.600 -0.008 0.000 0.968 253 E CA 0.934 57.325 56.400 -0.016 0.000 0.813 253 E CB -0.289 29.405 29.700 -0.010 0.000 0.780 253 E HN 0.644 nan 8.360 nan 0.000 0.455 254 I N 1.206 121.774 120.570 -0.004 0.000 2.237 254 I HA -0.373 3.797 4.170 0.000 0.000 0.245 254 I C 2.356 178.471 176.117 -0.003 0.000 1.013 254 I CA 2.135 63.434 61.300 -0.001 0.000 1.298 254 I CB -0.549 37.452 38.000 0.002 0.000 0.995 254 I HN 0.003 nan 8.210 nan 0.000 0.422 255 K N 0.980 121.376 120.400 -0.008 0.000 2.358 255 K HA 0.323 4.643 4.320 0.000 0.000 0.197 255 K C 1.664 178.258 176.600 -0.010 0.000 1.025 255 K CA 0.666 56.948 56.287 -0.008 0.000 1.104 255 K CB 0.357 32.852 32.500 -0.009 0.000 0.855 255 K HN 0.269 nan 8.250 nan 0.000 0.531 256 A N 0.064 122.878 122.820 -0.011 0.000 1.903 256 A HA -0.054 4.266 4.320 0.000 0.000 0.213 256 A C 2.094 179.676 177.584 -0.004 0.000 1.185 256 A CA 1.383 53.414 52.037 -0.009 0.000 0.628 256 A CB -0.755 18.238 19.000 -0.012 0.000 0.830 256 A HN 0.412 nan 8.150 nan 0.000 0.446 257 S N -0.732 114.967 115.700 -0.001 0.000 2.355 257 S HA 0.274 4.744 4.470 0.000 0.000 0.210 257 S C 1.296 175.899 174.600 0.004 0.000 1.035 257 S CA 1.978 60.179 58.200 0.003 0.000 1.011 257 S CB -0.338 62.865 63.200 0.005 0.000 1.000 257 S HN 1.408 nan 8.310 nan 0.000 0.423 258 G N -0.260 108.544 108.800 0.006 0.000 4.820 258 G HA2 0.452 4.413 3.960 0.000 0.000 0.223 258 G HA3 0.452 4.413 3.960 0.000 0.000 0.223 258 G C -0.286 174.618 174.900 0.008 0.000 1.029 258 G CA 0.068 45.172 45.100 0.006 0.000 1.144 258 G HN 0.808 nan 8.290 nan 0.000 0.618 259 A N 1.633 124.457 122.820 0.007 0.000 2.671 259 A HA 0.457 4.777 4.320 0.000 0.000 0.306 259 A C 1.648 179.229 177.584 -0.005 0.000 1.473 259 A CA 0.266 52.307 52.037 0.005 0.000 1.155 259 A CB -0.122 18.880 19.000 0.003 0.000 1.123 259 A HN 0.653 nan 8.150 nan 0.000 0.545 260 N N 2.008 120.706 118.700 -0.003 0.000 2.314 260 N HA -0.162 4.578 4.740 0.000 0.000 0.191 260 N C -0.129 175.362 175.510 -0.031 0.000 1.007 260 N CA 2.276 55.320 53.050 -0.010 0.000 0.883 260 N CB -0.299 38.183 38.487 -0.008 0.000 0.969 260 N HN 0.369 nan 8.380 nan 0.000 0.441 261 V N -0.227 119.666 119.914 -0.036 0.000 2.852 261 V HA 0.470 4.590 4.120 0.000 0.000 0.300 261 V C -1.204 174.825 176.094 -0.109 0.000 1.205 261 V CA -0.958 61.288 62.300 -0.090 0.000 0.940 261 V CB 1.924 33.739 31.823 -0.013 0.000 1.047 261 V HN 0.200 nan 8.190 nan 0.000 0.429 262 L N 4.514 125.560 121.223 -0.295 0.000 2.505 262 L HA 0.747 5.088 4.340 0.000 0.000 0.266 262 L C -2.032 174.629 176.870 -0.347 0.000 0.954 262 L CA -0.173 54.563 54.840 -0.175 0.000 0.852 262 L CB 1.926 43.931 42.059 -0.091 0.000 1.282 262 L HN 0.569 nan 8.230 nan 0.000 0.403 263 F N 4.304 124.260 119.950 0.011 0.000 2.427 263 F HA 0.541 5.068 4.527 0.000 0.000 0.348 263 F C 0.223 176.027 175.800 0.008 0.000 1.125 263 F CA -0.673 57.332 58.000 0.008 0.000 0.989 263 F CB 1.398 40.401 39.000 0.004 0.000 1.165 263 F HN 0.522 nan 8.300 nan 0.000 0.442 264 C N 1.443 120.821 119.300 0.131 0.000 2.435 264 C HA 0.446 4.906 4.460 0.000 0.000 0.333 264 C C 1.378 176.415 174.990 0.078 0.000 1.202 264 C CA -0.751 58.318 59.018 0.085 0.000 1.830 264 C CB 1.400 29.170 27.740 0.050 0.000 2.326 264 C HN 1.023 nan 8.230 nan 0.000 0.507 265 Q N 1.156 120.991 119.800 0.059 0.000 2.170 265 Q HA -0.068 4.273 4.340 0.000 0.000 0.203 265 Q C -0.060 175.961 176.000 0.035 0.000 0.976 265 Q CA 1.559 57.388 55.803 0.043 0.000 0.858 265 Q CB 0.112 28.869 28.738 0.032 0.000 0.907 265 Q HN 0.854 nan 8.270 nan 0.000 0.433 266 K N -1.697 118.723 120.400 0.034 0.000 2.019 266 K HA 0.050 4.370 4.320 0.000 0.000 0.306 266 K C -0.323 176.295 176.600 0.030 0.000 1.866 266 K CA 0.282 56.589 56.287 0.033 0.000 0.833 266 K CB -1.367 31.149 32.500 0.027 0.000 1.409 266 K HN 0.182 nan 8.250 nan 0.000 0.368 267 G N 1.552 110.367 108.800 0.024 0.000 2.846 267 G HA2 0.380 4.340 3.960 0.000 0.000 0.257 267 G HA3 0.380 4.340 3.960 0.000 0.000 0.257 267 G C 0.112 175.024 174.900 0.021 0.000 1.253 267 G CA -0.316 44.796 45.100 0.021 0.000 0.918 267 G HN 0.495 nan 8.290 nan 0.000 0.597 268 I N -0.245 120.335 120.570 0.018 0.000 2.548 268 I HA 0.168 4.338 4.170 0.000 0.000 0.287 268 I C -0.551 175.576 176.117 0.017 0.000 1.103 268 I CA -0.852 60.459 61.300 0.018 0.000 1.049 268 I CB 2.031 40.039 38.000 0.014 0.000 1.232 268 I HN 0.371 nan 8.210 nan 0.000 0.429 269 D N 3.639 124.051 120.400 0.021 0.000 2.173 269 D HA -0.099 4.541 4.640 0.000 0.000 0.233 269 D C 0.844 177.151 176.300 0.010 0.000 1.388 269 D CA 0.812 54.822 54.000 0.017 0.000 0.903 269 D CB 0.774 41.586 40.800 0.020 0.000 1.302 269 D HN 0.542 nan 8.370 nan 0.000 0.522 270 D N -0.604 119.796 120.400 0.000 0.000 2.414 270 D HA -0.051 4.589 4.640 0.000 0.000 0.237 270 D C 2.224 178.509 176.300 -0.024 0.000 0.975 270 D CA 0.107 54.102 54.000 -0.008 0.000 0.917 270 D CB -0.436 40.355 40.800 -0.016 0.000 1.061 270 D HN 0.317 nan 8.370 nan 0.000 0.480 271 L N 1.433 122.622 121.223 -0.056 0.000 2.054 271 L HA -0.310 4.030 4.340 0.000 0.000 0.220 271 L C 2.322 179.110 176.870 -0.137 0.000 1.081 271 L CA 2.571 57.330 54.840 -0.137 0.000 0.780 271 L CB -0.264 41.646 42.059 -0.248 0.000 0.893 271 L HN -0.004 nan 8.230 nan 0.000 0.438 272 A N -0.645 122.181 122.820 0.010 0.000 1.873 272 A HA -0.220 4.100 4.320 0.000 0.000 0.215 272 A C 2.077 179.712 177.584 0.084 0.000 1.186 272 A CA 1.594 53.697 52.037 0.111 0.000 0.616 272 A CB -0.681 18.381 19.000 0.103 0.000 0.823 272 A HN 0.716 nan 8.150 nan 0.000 0.442 273 Q N -1.037 118.785 119.800 0.036 0.000 2.014 273 Q HA -0.261 4.079 4.340 0.000 0.000 0.207 273 Q C 2.102 178.106 176.000 0.006 0.000 0.993 273 Q CA 1.594 57.406 55.803 0.015 0.000 0.850 273 Q CB -0.630 28.108 28.738 -0.001 0.000 0.916 273 Q HN 0.751 nan 8.270 nan 0.000 0.417 274 H N -0.429 118.587 119.070 -0.090 0.000 2.375 274 H HA -0.240 4.317 4.556 0.000 0.000 0.289 274 H C 1.710 176.970 175.328 -0.113 0.000 1.121 274 H CA 2.098 58.059 56.048 -0.144 0.000 1.207 274 H CB -0.071 29.551 29.762 -0.233 0.000 1.355 274 H HN 0.356 nan 8.280 nan 0.000 0.486 275 Y N -0.548 119.850 120.300 0.164 0.000 2.286 275 Y HA -0.114 4.436 4.550 0.000 0.000 0.293 275 Y C 2.700 178.619 175.900 0.031 0.000 1.124 275 Y CA 0.226 58.388 58.100 0.104 0.000 1.178 275 Y CB -0.398 38.100 38.460 0.063 0.000 1.010 275 Y HN 0.124 nan 8.280 nan 0.000 0.536 276 L N -0.675 120.642 121.223 0.156 0.000 2.046 276 L HA -0.154 4.186 4.340 0.000 0.000 0.208 276 L C 2.397 179.276 176.870 0.014 0.000 1.077 276 L CA 2.034 56.910 54.840 0.060 0.000 0.747 276 L CB -1.786 40.287 42.059 0.022 0.000 0.896 276 L HN 0.193 nan 8.230 nan 0.000 0.432 277 A N -1.060 121.743 122.820 -0.028 0.000 2.067 277 A HA -0.154 4.167 4.320 0.000 0.000 0.217 277 A C 2.342 179.875 177.584 -0.085 0.000 1.156 277 A CA 0.858 52.846 52.037 -0.081 0.000 0.683 277 A CB -0.264 18.639 19.000 -0.161 0.000 0.808 277 A HN 0.292 nan 8.150 nan 0.000 0.455 278 K N 0.100 120.470 120.400 -0.050 0.000 2.000 278 K HA -0.240 4.080 4.320 0.000 0.000 0.218 278 K C 1.674 178.297 176.600 0.038 0.000 1.053 278 K CA 2.283 58.590 56.287 0.034 0.000 0.946 278 K CB -0.177 32.429 32.500 0.176 0.000 0.723 278 K HN 0.552 nan 8.250 nan 0.000 0.446 279 E N -1.743 118.482 120.200 0.042 0.000 2.481 279 E HA 0.058 4.408 4.350 0.000 0.000 0.195 279 E C 0.304 176.908 176.600 0.008 0.000 1.047 279 E CA 0.442 56.858 56.400 0.027 0.000 0.867 279 E CB 0.621 30.337 29.700 0.025 0.000 0.858 279 E HN 0.609 nan 8.360 nan 0.000 0.513 280 G N 1.447 110.245 108.800 -0.003 0.000 2.203 280 G HA2 -0.233 3.727 3.960 0.000 0.000 0.231 280 G HA3 -0.233 3.727 3.960 0.000 0.000 0.231 280 G C -0.012 174.878 174.900 -0.017 0.000 1.058 280 G CA -0.386 44.706 45.100 -0.012 0.000 0.781 280 G HN 0.184 nan 8.290 nan 0.000 0.496 281 I N 1.430 121.989 120.570 -0.018 0.000 2.312 281 I HA 0.338 4.508 4.170 0.000 0.000 0.291 281 I C 1.258 177.342 176.117 -0.054 0.000 1.031 281 I CA -0.661 60.621 61.300 -0.030 0.000 1.293 281 I CB 1.251 39.240 38.000 -0.018 0.000 1.403 281 I HN 0.202 nan 8.210 nan 0.000 0.484 282 V N 4.521 124.386 119.914 -0.082 0.000 3.036 282 V HA 0.930 5.051 4.120 0.000 0.000 0.308 282 V C 0.000 175.988 176.094 -0.178 0.000 1.070 282 V CA -0.355 61.874 62.300 -0.117 0.000 1.056 282 V CB 1.583 33.334 31.823 -0.121 0.000 1.084 282 V HN 0.828 nan 8.190 nan 0.000 0.471 283 A N 2.433 125.139 122.820 -0.190 0.000 2.517 283 A HA 0.945 5.265 4.320 0.000 0.000 0.297 283 A C -0.472 177.001 177.584 -0.186 0.000 1.050 283 A CA -0.218 51.702 52.037 -0.195 0.000 0.694 283 A CB 1.489 20.429 19.000 -0.100 0.000 1.277 283 A HN 2.391 nan 8.150 nan 0.000 0.400 284 A N 1.824 124.538 122.820 -0.177 0.000 2.343 284 A HA 0.799 5.119 4.320 0.000 0.000 0.308 284 A C -0.167 177.432 177.584 0.024 0.000 1.092 284 A CA -0.591 51.415 52.037 -0.052 0.000 0.751 284 A CB 0.871 19.907 19.000 0.059 0.000 1.203 284 A HN 1.520 nan 8.150 nan 0.000 0.452 285 R N 1.346 121.863 120.500 0.028 0.000 2.598 285 R HA 0.669 5.009 4.340 0.000 0.000 0.279 285 R C 0.213 176.538 176.300 0.042 0.000 0.984 285 R CA -0.512 55.606 56.100 0.030 0.000 0.999 285 R CB 0.445 30.754 30.300 0.016 0.000 1.114 285 R HN 0.517 nan 8.270 nan 0.000 0.493 286 R N 1.113 121.635 120.500 0.036 0.000 3.404 286 R HA -0.140 4.200 4.340 0.000 0.000 0.232 286 R C -0.597 175.728 176.300 0.042 0.000 0.972 286 R CA 0.988 57.109 56.100 0.035 0.000 0.654 286 R CB -2.090 28.224 30.300 0.025 0.000 1.074 286 R HN 0.519 nan 8.270 nan 0.000 0.495 287 V N 0.821 120.773 119.914 0.063 0.000 2.678 287 V HA -0.158 3.962 4.120 0.000 0.000 0.304 287 V C 1.221 177.339 176.094 0.040 0.000 1.086 287 V CA 0.602 62.943 62.300 0.068 0.000 1.246 287 V CB 0.187 32.090 31.823 0.132 0.000 0.861 287 V HN 0.199 nan 8.190 nan 0.000 0.491 288 K N 3.707 124.116 120.400 0.015 0.000 2.144 288 K HA 0.228 4.548 4.320 0.000 0.000 0.270 288 K C 1.064 177.661 176.600 -0.005 0.000 1.005 288 K CA -0.679 55.611 56.287 0.004 0.000 0.932 288 K CB 1.164 33.663 32.500 -0.002 0.000 1.021 288 K HN 0.566 nan 8.250 nan 0.000 0.462 289 K N 1.010 121.410 120.400 -0.001 0.000 2.209 289 K HA -0.370 3.950 4.320 0.000 0.000 0.220 289 K C 2.095 178.684 176.600 -0.018 0.000 1.002 289 K CA 2.562 58.845 56.287 -0.006 0.000 0.947 289 K CB -0.407 32.092 32.500 -0.001 0.000 0.891 289 K HN 0.557 nan 8.250 nan 0.000 0.476 290 S N -0.162 115.524 115.700 -0.022 0.000 2.383 290 S HA -0.167 4.303 4.470 0.000 0.000 0.229 290 S C 1.371 175.941 174.600 -0.051 0.000 1.030 290 S CA 1.745 59.926 58.200 -0.032 0.000 1.002 290 S CB -0.268 62.914 63.200 -0.031 0.000 0.829 290 S HN 0.347 nan 8.310 nan 0.000 0.467 291 D N -0.002 120.363 120.400 -0.057 0.000 2.234 291 D HA 0.022 4.662 4.640 0.000 0.000 0.205 291 D C 1.730 177.965 176.300 -0.108 0.000 0.962 291 D CA 0.649 54.592 54.000 -0.095 0.000 0.855 291 D CB -0.010 40.729 40.800 -0.101 0.000 0.951 291 D HN 0.359 nan 8.370 nan 0.000 0.500 292 M N 0.767 120.330 119.600 -0.062 0.000 2.288 292 M HA -0.056 4.424 4.480 0.000 0.000 0.266 292 M C 1.827 178.099 176.300 -0.047 0.000 1.072 292 M CA 1.090 56.362 55.300 -0.046 0.000 1.132 292 M CB -0.563 32.031 32.600 -0.009 0.000 1.386 292 M HN 0.019 nan 8.290 nan 0.000 0.432 293 E N 0.060 120.236 120.200 -0.041 0.000 2.106 293 E HA -0.177 4.173 4.350 0.000 0.000 0.192 293 E C 1.794 178.367 176.600 -0.046 0.000 0.984 293 E CA 1.189 57.568 56.400 -0.035 0.000 0.806 293 E CB -0.347 29.341 29.700 -0.019 0.000 0.750 293 E HN 0.478 nan 8.360 nan 0.000 0.458 294 K N 0.548 120.907 120.400 -0.068 0.000 2.167 294 K HA 0.033 4.354 4.320 0.000 0.000 0.203 294 K C 2.116 178.650 176.600 -0.110 0.000 1.052 294 K CA 0.602 56.839 56.287 -0.084 0.000 0.956 294 K CB -0.028 32.422 32.500 -0.084 0.000 0.735 294 K HN 0.033 nan 8.250 nan 0.000 0.451 295 L N 0.884 122.014 121.223 -0.156 0.000 2.141 295 L HA -0.121 4.219 4.340 0.000 0.000 0.209 295 L C 2.468 179.277 176.870 -0.101 0.000 1.094 295 L CA 0.840 55.559 54.840 -0.203 0.000 0.763 295 L CB -0.349 41.508 42.059 -0.337 0.000 0.908 295 L HN 0.194 nan 8.230 nan 0.000 0.437 296 A N 0.529 123.313 122.820 -0.059 0.000 1.908 296 A HA -0.257 4.064 4.320 0.000 0.000 0.218 296 A C 2.226 179.812 177.584 0.003 0.000 1.181 296 A CA 2.085 54.112 52.037 -0.016 0.000 0.627 296 A CB -0.332 18.665 19.000 -0.005 0.000 0.818 296 A HN 0.468 nan 8.150 nan 0.000 0.445 297 K N -0.020 120.373 120.400 -0.013 0.000 2.116 297 K HA 0.259 4.579 4.320 0.000 0.000 0.203 297 K C 2.240 178.832 176.600 -0.014 0.000 1.052 297 K CA 0.869 57.153 56.287 -0.004 0.000 0.952 297 K CB -0.427 32.071 32.500 -0.005 0.000 0.729 297 K HN 0.336 nan 8.250 nan 0.000 0.446 298 A N 2.171 124.971 122.820 -0.034 0.000 1.836 298 A HA -0.252 4.069 4.320 0.000 0.000 0.215 298 A C 2.553 180.136 177.584 -0.001 0.000 1.214 298 A CA 2.914 54.933 52.037 -0.030 0.000 0.636 298 A CB -1.664 17.302 19.000 -0.057 0.000 0.847 298 A HN 0.502 nan 8.150 nan 0.000 0.451 299 T N -3.703 110.852 114.554 0.002 0.000 2.746 299 T HA 0.283 4.633 4.350 0.000 0.000 0.267 299 T C 1.382 176.111 174.700 0.048 0.000 1.039 299 T CA 1.919 64.038 62.100 0.031 0.000 1.142 299 T CB -0.531 68.362 68.868 0.043 0.000 0.866 299 T HN 2.079 nan 8.240 nan 0.000 0.444 300 G N 0.721 109.550 108.800 0.049 0.000 2.188 300 G HA2 0.321 4.281 3.960 0.000 0.000 0.112 300 G HA3 0.321 4.281 3.960 0.000 0.000 0.112 300 G C -0.031 174.900 174.900 0.051 0.000 1.048 300 G CA -0.156 44.987 45.100 0.072 0.000 0.720 300 G HN 0.975 nan 8.290 nan 0.000 0.487 301 A N 0.013 122.857 122.820 0.040 0.000 2.302 301 A HA 0.753 5.073 4.320 0.000 0.000 0.285 301 A C 0.276 177.875 177.584 0.026 0.000 1.105 301 A CA -0.082 51.974 52.037 0.033 0.000 0.816 301 A CB 0.387 19.408 19.000 0.035 0.000 1.067 301 A HN 0.916 nan 8.150 nan 0.000 0.489 302 N N 0.664 119.377 118.700 0.022 0.000 2.444 302 N HA 0.388 5.128 4.740 0.000 0.000 0.262 302 N C -0.576 174.945 175.510 0.018 0.000 0.974 302 N CA -0.692 52.368 53.050 0.018 0.000 0.933 302 N CB 1.777 40.273 38.487 0.015 0.000 1.137 302 N HN 0.467 nan 8.380 nan 0.000 0.498 303 V N 3.596 123.520 119.914 0.016 0.000 2.617 303 V HA 0.146 4.267 4.120 0.000 0.000 0.304 303 V C 0.219 176.324 176.094 0.018 0.000 1.040 303 V CA -0.211 62.099 62.300 0.018 0.000 1.149 303 V CB -0.617 31.213 31.823 0.012 0.000 0.914 303 V HN 0.715 nan 8.190 nan 0.000 0.487 304 I N 3.789 124.372 120.570 0.022 0.000 2.947 304 I HA 0.675 4.845 4.170 0.000 0.000 0.314 304 I C 1.272 177.401 176.117 0.019 0.000 1.028 304 I CA -0.064 61.247 61.300 0.019 0.000 1.077 304 I CB 1.459 39.471 38.000 0.020 0.000 1.274 304 I HN 0.818 nan 8.210 nan 0.000 0.485 305 T N 0.429 114.993 114.554 0.016 0.000 5.018 305 T HA -0.196 4.154 4.350 0.000 0.000 0.169 305 T C 0.916 175.627 174.700 0.018 0.000 1.281 305 T CA 0.995 63.104 62.100 0.015 0.000 1.255 305 T CB -0.673 68.202 68.868 0.012 0.000 0.839 305 T HN 0.813 nan 8.240 nan 0.000 0.289 306 N N 1.169 119.879 118.700 0.017 0.000 2.416 306 N HA -0.017 4.723 4.740 0.000 0.000 0.246 306 N C 1.287 176.809 175.510 0.021 0.000 1.260 306 N CA 0.089 53.150 53.050 0.018 0.000 0.897 306 N CB 0.218 38.714 38.487 0.014 0.000 1.110 306 N HN 0.631 nan 8.380 nan 0.000 0.439 307 I N 3.043 123.627 120.570 0.023 0.000 4.583 307 I HA -0.432 3.738 4.170 0.000 0.000 0.085 307 I C 1.705 177.833 176.117 0.018 0.000 0.651 307 I CA 2.945 64.257 61.300 0.021 0.000 0.628 307 I CB -0.775 37.238 38.000 0.022 0.000 0.557 307 I HN 0.937 nan 8.210 nan 0.000 0.193 308 K N -0.874 119.535 120.400 0.014 0.000 2.358 308 K HA 0.215 4.535 4.320 0.000 0.000 0.197 308 K C 1.292 177.897 176.600 0.009 0.000 1.025 308 K CA 1.051 57.344 56.287 0.010 0.000 1.104 308 K CB -0.037 32.469 32.500 0.009 0.000 0.855 308 K HN 0.474 nan 8.250 nan 0.000 0.531 309 D N 0.692 121.099 120.400 0.011 0.000 2.348 309 D HA 0.046 4.686 4.640 0.000 0.000 0.211 309 D C 0.064 176.372 176.300 0.012 0.000 0.998 309 D CA -0.075 53.931 54.000 0.010 0.000 0.873 309 D CB 0.266 41.073 40.800 0.012 0.000 0.925 309 D HN 0.302 nan 8.370 nan 0.000 0.524 310 L N 0.848 122.080 121.223 0.014 0.000 2.490 310 L HA 0.192 4.532 4.340 0.000 0.000 0.274 310 L C 0.013 176.891 176.870 0.014 0.000 1.201 310 L CA 0.251 55.101 54.840 0.018 0.000 0.869 310 L CB 0.566 42.638 42.059 0.022 0.000 1.123 310 L HN -0.034 nan 8.230 nan 0.000 0.484 311 S N 3.060 118.771 115.700 0.018 0.000 2.806 311 S HA 0.919 5.389 4.470 0.000 0.000 0.306 311 S C -0.103 174.508 174.600 0.018 0.000 1.167 311 S CA -0.326 57.883 58.200 0.016 0.000 0.847 311 S CB 1.616 64.822 63.200 0.010 0.000 1.216 311 S HN 0.954 nan 8.310 nan 0.000 0.532 312 A N -0.826 122.003 122.820 0.016 0.000 2.701 312 A HA 0.418 4.738 4.320 0.000 0.000 0.241 312 A C 0.962 178.555 177.584 0.014 0.000 1.231 312 A CA -0.056 51.991 52.037 0.016 0.000 1.003 312 A CB 0.046 19.054 19.000 0.012 0.000 1.281 312 A HN 0.508 nan 8.150 nan 0.000 0.600 313 Q N -0.115 119.693 119.800 0.012 0.000 2.477 313 Q HA 0.142 4.482 4.340 0.000 0.000 0.252 313 Q C 0.159 176.165 176.000 0.011 0.000 0.869 313 Q CA 1.077 56.886 55.803 0.010 0.000 0.969 313 Q CB -0.090 28.651 28.738 0.005 0.000 1.144 313 Q HN 0.464 nan 8.270 nan 0.000 0.577 314 D N 0.214 120.622 120.400 0.013 0.000 2.379 314 D HA 0.034 4.674 4.640 0.000 0.000 0.243 314 D C -0.665 175.649 176.300 0.025 0.000 1.088 314 D CA 0.527 54.537 54.000 0.017 0.000 0.925 314 D CB -0.005 40.805 40.800 0.017 0.000 0.888 314 D HN 0.134 nan 8.370 nan 0.000 0.529 315 L N -0.329 120.909 121.223 0.025 0.000 2.341 315 L HA 0.577 4.917 4.340 0.000 0.000 0.278 315 L C 1.011 177.902 176.870 0.035 0.000 1.005 315 L CA -1.046 53.814 54.840 0.033 0.000 0.818 315 L CB 2.074 44.158 42.059 0.042 0.000 1.259 315 L HN -0.159 nan 8.230 nan 0.000 0.418 316 G N 0.005 108.833 108.800 0.047 0.000 2.543 316 G HA2 0.394 4.354 3.960 0.000 0.000 0.290 316 G HA3 0.394 4.354 3.960 0.000 0.000 0.290 316 G C -1.326 173.603 174.900 0.047 0.000 1.310 316 G CA -0.133 44.997 45.100 0.050 0.000 1.025 316 G HN 0.625 nan 8.290 nan 0.000 0.502 317 D N -0.641 119.789 120.400 0.049 0.000 2.616 317 D HA 0.486 5.127 4.640 0.000 0.000 0.238 317 D C -1.080 175.250 176.300 0.050 0.000 1.354 317 D CA -0.219 53.809 54.000 0.046 0.000 0.970 317 D CB 1.511 42.333 40.800 0.037 0.000 1.369 317 D HN 0.553 nan 8.370 nan 0.000 0.585 318 A N 1.987 124.841 122.820 0.055 0.000 2.402 318 A HA 0.612 4.932 4.320 0.000 0.000 0.291 318 A C 0.552 178.169 177.584 0.056 0.000 1.051 318 A CA -0.523 51.550 52.037 0.059 0.000 0.716 318 A CB 1.518 20.564 19.000 0.078 0.000 1.223 318 A HN 0.434 nan 8.150 nan 0.000 0.425 319 G N 0.608 109.436 108.800 0.047 0.000 3.327 319 G HA2 0.462 4.422 3.960 0.000 0.000 0.240 319 G HA3 0.462 4.422 3.960 0.000 0.000 0.240 319 G C -0.344 174.580 174.900 0.040 0.000 1.222 319 G CA 0.330 45.453 45.100 0.039 0.000 0.871 319 G HN 0.734 nan 8.290 nan 0.000 0.525 320 L N -0.588 120.668 121.223 0.056 0.000 2.830 320 L HA 0.378 4.718 4.340 0.000 0.000 0.259 320 L C -1.350 175.575 176.870 0.091 0.000 0.926 320 L CA -0.337 54.537 54.840 0.057 0.000 0.993 320 L CB 2.342 44.424 42.059 0.039 0.000 1.589 320 L HN -0.145 nan 8.230 nan 0.000 0.460 321 V N 3.276 123.246 119.914 0.094 0.000 2.595 321 V HA 0.437 4.557 4.120 0.000 0.000 0.269 321 V C -0.647 175.513 176.094 0.111 0.000 0.982 321 V CA -0.468 61.914 62.300 0.137 0.000 0.873 321 V CB 1.565 33.471 31.823 0.140 0.000 1.051 321 V HN 0.718 nan 8.190 nan 0.000 0.466 322 E N 2.546 122.819 120.200 0.122 0.000 2.187 322 E HA 0.398 4.748 4.350 0.000 0.000 0.268 322 E C -0.440 176.249 176.600 0.150 0.000 0.896 322 E CA -0.602 55.848 56.400 0.084 0.000 0.766 322 E CB 1.697 31.400 29.700 0.005 0.000 1.142 322 E HN 0.679 nan 8.360 nan 0.000 0.408 323 E N 4.792 125.062 120.200 0.116 0.000 2.166 323 E HA 0.093 4.443 4.350 0.000 0.000 0.279 323 E C -0.844 175.828 176.600 0.119 0.000 1.095 323 E CA -0.053 56.433 56.400 0.144 0.000 0.888 323 E CB 0.484 30.235 29.700 0.085 0.000 1.041 323 E HN 0.367 nan 8.360 nan 0.000 0.414 324 R N 4.125 124.728 120.500 0.173 0.000 2.387 324 R HA 0.269 4.609 4.340 0.000 0.000 0.314 324 R C -0.363 176.026 176.300 0.148 0.000 0.958 324 R CA -0.715 55.436 56.100 0.086 0.000 0.846 324 R CB 1.652 31.903 30.300 -0.081 0.000 1.147 324 R HN 0.312 nan 8.270 nan 0.000 0.447 325 K N 2.632 123.078 120.400 0.075 0.000 2.322 325 K HA 0.251 4.571 4.320 0.000 0.000 0.283 325 K C -0.435 176.211 176.600 0.077 0.000 1.042 325 K CA 0.127 56.457 56.287 0.072 0.000 0.958 325 K CB 0.757 33.282 32.500 0.041 0.000 0.984 325 K HN 0.447 nan 8.250 nan 0.000 0.473 326 I N 3.061 123.685 120.570 0.091 0.000 2.439 326 I HA 0.003 4.173 4.170 0.000 0.000 0.285 326 I C 0.140 176.292 176.117 0.059 0.000 1.021 326 I CA 0.072 61.425 61.300 0.089 0.000 1.091 326 I CB 1.439 39.528 38.000 0.148 0.000 1.242 326 I HN 0.919 nan 8.210 nan 0.000 0.439 327 S N 4.957 120.682 115.700 0.043 0.000 3.350 327 S HA -0.212 4.259 4.470 0.000 0.000 0.341 327 S C 0.748 175.364 174.600 0.027 0.000 1.176 327 S CA 1.369 59.588 58.200 0.031 0.000 0.972 327 S CB -1.882 61.337 63.200 0.032 0.000 0.953 327 S HN 2.332 nan 8.310 nan 0.000 0.565 328 G N -0.036 108.782 108.800 0.030 0.000 2.368 328 G HA2 -0.068 3.892 3.960 0.000 0.000 0.290 328 G HA3 -0.068 3.892 3.960 0.000 0.000 0.290 328 G C -0.528 174.389 174.900 0.028 0.000 1.098 328 G CA 0.220 45.335 45.100 0.026 0.000 1.073 328 G HN 0.859 nan 8.290 nan 0.000 0.511 329 D N -0.578 119.844 120.400 0.037 0.000 2.886 329 D HA 0.337 4.977 4.640 0.000 0.000 0.216 329 D C -0.452 175.881 176.300 0.055 0.000 1.256 329 D CA -0.443 53.580 54.000 0.038 0.000 0.844 329 D CB 1.733 42.551 40.800 0.032 0.000 1.669 329 D HN 0.109 nan 8.370 nan 0.000 0.513 330 S N 1.775 117.507 115.700 0.053 0.000 2.513 330 S HA 0.496 4.966 4.470 0.000 0.000 0.276 330 S C 0.186 174.835 174.600 0.080 0.000 1.254 330 S CA -0.301 57.942 58.200 0.073 0.000 1.053 330 S CB 0.690 63.928 63.200 0.063 0.000 0.958 330 S HN 0.257 nan 8.310 nan 0.000 0.491 331 M N 3.072 122.746 119.600 0.123 0.000 2.591 331 M HA 0.547 5.027 4.480 0.000 0.000 0.306 331 M C -0.908 175.489 176.300 0.161 0.000 1.190 331 M CA -0.564 54.791 55.300 0.091 0.000 0.889 331 M CB 1.663 34.255 32.600 -0.014 0.000 1.728 331 M HN 0.368 nan 8.290 nan 0.000 0.458 332 I N 1.981 122.614 120.570 0.106 0.000 2.325 332 I HA 0.348 4.518 4.170 0.000 0.000 0.291 332 I C -1.029 175.137 176.117 0.081 0.000 1.019 332 I CA -0.215 61.206 61.300 0.201 0.000 1.302 332 I CB 0.604 38.801 38.000 0.328 0.000 1.401 332 I HN 0.472 nan 8.210 nan 0.000 0.485 333 F N 5.351 125.350 119.950 0.082 0.000 2.440 333 F HA 0.558 5.085 4.527 0.000 0.000 0.328 333 F C 0.161 175.999 175.800 0.064 0.000 1.070 333 F CA -0.585 57.444 58.000 0.048 0.000 1.011 333 F CB 1.839 40.860 39.000 0.035 0.000 1.226 333 F HN 0.017 nan 8.300 nan 0.000 0.491 334 V N 0.813 120.843 119.914 0.192 0.000 2.791 334 V HA 0.249 4.369 4.120 0.000 0.000 0.258 334 V C -0.816 175.330 176.094 0.086 0.000 0.875 334 V CA -0.892 61.482 62.300 0.124 0.000 0.922 334 V CB 0.183 32.040 31.823 0.056 0.000 1.034 334 V HN 0.762 nan 8.190 nan 0.000 0.492 335 E N 0.974 121.242 120.200 0.114 0.000 2.232 335 E HA 0.691 5.041 4.350 0.000 0.000 0.265 335 E C -0.029 176.607 176.600 0.060 0.000 1.001 335 E CA -0.892 55.560 56.400 0.087 0.000 0.870 335 E CB 1.561 31.326 29.700 0.109 0.000 1.175 335 E HN 0.330 nan 8.360 nan 0.000 0.407 336 E N 0.020 120.246 120.200 0.044 0.000 2.269 336 E HA -0.226 4.124 4.350 0.000 0.000 0.223 336 E C -0.958 175.662 176.600 0.034 0.000 1.244 336 E CA 0.733 57.153 56.400 0.033 0.000 0.713 336 E CB -1.890 27.828 29.700 0.029 0.000 1.178 336 E HN 0.720 nan 8.360 nan 0.000 0.370 337 C N -0.258 119.063 119.300 0.034 0.000 1.553 337 C HA -0.226 4.234 4.460 0.000 0.000 0.232 337 C C 1.806 176.815 174.990 0.031 0.000 0.985 337 C CA 0.952 59.986 59.018 0.028 0.000 3.265 337 C CB -0.496 27.252 27.740 0.015 0.000 2.127 337 C HN 0.591 nan 8.230 nan 0.000 0.169 338 K N 3.060 123.489 120.400 0.049 0.000 2.172 338 K HA -0.002 4.318 4.320 0.000 0.000 0.203 338 K C 0.961 177.617 176.600 0.093 0.000 1.040 338 K CA 1.272 57.596 56.287 0.062 0.000 0.974 338 K CB 0.061 32.601 32.500 0.066 0.000 0.857 338 K HN 0.945 nan 8.250 nan 0.000 0.464 339 H N 2.519 121.592 119.070 0.005 0.000 2.448 339 H HA 0.367 4.923 4.556 0.000 0.000 0.237 339 H C -2.682 172.646 175.328 -0.000 0.000 1.391 339 H CA -1.617 54.433 56.048 0.003 0.000 1.477 339 H CB 1.215 30.978 29.762 0.002 0.000 1.520 339 H HN 0.025 nan 8.280 nan 0.000 0.502 340 P HA 0.237 nan 4.420 nan 0.000 0.284 340 P C -0.203 176.945 177.300 -0.252 0.000 1.459 340 P CA -0.758 62.236 63.100 -0.176 0.000 0.982 340 P CB 0.967 32.613 31.700 -0.090 0.000 1.184 341 K N 2.067 122.297 120.400 -0.284 0.000 2.675 341 K HA 0.584 4.904 4.320 0.000 0.000 0.213 341 K C 0.054 176.585 176.600 -0.114 0.000 1.074 341 K CA -0.744 55.403 56.287 -0.233 0.000 1.172 341 K CB 0.208 32.577 32.500 -0.218 0.000 0.927 341 K HN 0.336 nan 8.250 nan 0.000 0.471 342 A N 0.702 123.465 122.820 -0.096 0.000 1.709 342 A HA 0.141 4.461 4.320 0.000 0.000 0.237 342 A C -0.055 177.491 177.584 -0.063 0.000 2.004 342 A CA -0.699 51.297 52.037 -0.068 0.000 1.949 342 A CB -1.073 17.891 19.000 -0.060 0.000 0.570 342 A HN 0.253 nan 8.150 nan 0.000 0.908 343 V N -0.432 119.448 119.914 -0.057 0.000 2.923 343 V HA 0.239 4.359 4.120 0.000 0.000 0.286 343 V C 0.528 176.593 176.094 -0.048 0.000 1.376 343 V CA 1.275 63.548 62.300 -0.044 0.000 1.423 343 V CB -0.480 31.322 31.823 -0.034 0.000 0.865 343 V HN 0.948 nan 8.190 nan 0.000 0.514 344 T N 7.020 121.545 114.554 -0.048 0.000 2.859 344 T HA 0.594 4.944 4.350 0.000 0.000 0.281 344 T C -0.199 174.482 174.700 -0.031 0.000 1.005 344 T CA -0.515 61.554 62.100 -0.051 0.000 1.025 344 T CB 1.527 70.347 68.868 -0.080 0.000 0.977 344 T HN 0.855 nan 8.240 nan 0.000 0.458 345 M N 3.943 123.526 119.600 -0.028 0.000 2.072 345 M HA 0.426 4.906 4.480 0.000 0.000 0.331 345 M C -0.655 175.640 176.300 -0.009 0.000 1.004 345 M CA -0.809 54.484 55.300 -0.011 0.000 0.952 345 M CB 0.676 33.269 32.600 -0.011 0.000 1.511 345 M HN 0.563 nan 8.290 nan 0.000 0.422 346 L N 5.939 127.168 121.223 0.010 0.000 2.640 346 L HA 0.024 4.364 4.340 0.000 0.000 0.280 346 L C -0.802 176.086 176.870 0.030 0.000 1.229 346 L CA 0.766 55.627 54.840 0.034 0.000 0.919 346 L CB 0.131 42.248 42.059 0.096 0.000 1.168 346 L HN 0.672 nan 8.230 nan 0.000 0.496 347 I N 6.236 126.822 120.570 0.027 0.000 2.502 347 I HA 0.283 4.453 4.170 0.000 0.000 0.276 347 I C -0.192 175.943 176.117 0.030 0.000 1.057 347 I CA -0.627 60.686 61.300 0.021 0.000 1.163 347 I CB 0.595 38.601 38.000 0.010 0.000 1.288 347 I HN 0.598 nan 8.210 nan 0.000 0.479 348 R N 4.133 124.653 120.500 0.032 0.000 2.532 348 R HA 0.892 5.232 4.340 0.000 0.000 0.272 348 R C 0.121 176.437 176.300 0.027 0.000 1.032 348 R CA -0.766 55.354 56.100 0.033 0.000 1.089 348 R CB 1.838 32.161 30.300 0.037 0.000 1.098 348 R HN 0.663 nan 8.270 nan 0.000 0.526 349 G N -0.620 108.195 108.800 0.025 0.000 2.322 349 G HA2 0.126 4.086 3.960 0.000 0.000 0.295 349 G HA3 0.126 4.086 3.960 0.000 0.000 0.295 349 G C 0.239 175.153 174.900 0.024 0.000 1.369 349 G CA -0.055 45.060 45.100 0.025 0.000 0.821 349 G HN 0.505 nan 8.290 nan 0.000 0.536 350 T N -2.914 111.654 114.554 0.025 0.000 2.739 350 T HA 0.333 4.683 4.350 0.000 0.000 0.249 350 T C 1.409 176.120 174.700 0.019 0.000 1.050 350 T CA 2.138 64.251 62.100 0.021 0.000 1.165 350 T CB -0.286 68.596 68.868 0.024 0.000 0.872 350 T HN 1.126 nan 8.240 nan 0.000 0.411 351 T N -0.530 114.039 114.554 0.024 0.000 2.870 351 T HA 0.348 4.699 4.350 0.000 0.000 0.277 351 T C 0.853 175.576 174.700 0.038 0.000 1.000 351 T CA 0.011 62.122 62.100 0.018 0.000 0.982 351 T CB 1.248 70.109 68.868 -0.011 0.000 1.249 351 T HN 0.515 nan 8.240 nan 0.000 0.589 352 E N 0.304 120.526 120.200 0.037 0.000 2.816 352 E HA -0.422 3.928 4.350 0.000 0.000 0.235 352 E C 1.443 178.130 176.600 0.146 0.000 0.972 352 E CA 2.703 59.143 56.400 0.066 0.000 1.534 352 E CB -1.400 28.326 29.700 0.044 0.000 1.465 352 E HN 0.843 nan 8.360 nan 0.000 0.464 353 H N 0.667 119.739 119.070 0.004 0.000 2.472 353 H HA -0.152 4.404 4.556 0.000 0.000 0.295 353 H C 2.544 177.874 175.328 0.004 0.000 1.051 353 H CA 1.743 57.793 56.048 0.003 0.000 1.138 353 H CB -0.416 29.348 29.762 0.003 0.000 1.404 353 H HN 0.116 nan 8.280 nan 0.000 0.603 354 V N 0.934 120.921 119.914 0.123 0.000 2.352 354 V HA -0.345 3.776 4.120 0.000 0.000 0.263 354 V C 2.318 178.437 176.094 0.042 0.000 1.103 354 V CA 2.167 64.504 62.300 0.061 0.000 1.099 354 V CB -0.878 30.972 31.823 0.046 0.000 0.685 354 V HN 0.377 nan 8.190 nan 0.000 0.455 355 I N -0.287 120.312 120.570 0.047 0.000 2.188 355 I HA -0.132 4.038 4.170 0.000 0.000 0.237 355 I C 2.651 178.779 176.117 0.019 0.000 1.073 355 I CA 1.394 62.712 61.300 0.030 0.000 1.359 355 I CB -0.531 37.488 38.000 0.033 0.000 1.083 355 I HN 0.279 nan 8.210 nan 0.000 0.412 356 E N 0.519 120.735 120.200 0.027 0.000 2.284 356 E HA -0.320 4.030 4.350 0.000 0.000 0.200 356 E C 1.809 178.398 176.600 -0.017 0.000 1.008 356 E CA 1.583 57.986 56.400 0.005 0.000 0.829 356 E CB -0.101 29.606 29.700 0.011 0.000 0.744 356 E HN 0.465 nan 8.360 nan 0.000 0.491 357 E N 0.495 120.687 120.200 -0.014 0.000 2.060 357 E HA -0.102 4.248 4.350 0.000 0.000 0.189 357 E C 2.010 178.602 176.600 -0.013 0.000 0.974 357 E CA 0.780 57.164 56.400 -0.027 0.000 0.808 357 E CB -0.080 29.602 29.700 -0.030 0.000 0.768 357 E HN -0.002 nan 8.360 nan 0.000 0.453 358 V N 1.547 121.460 119.914 -0.001 0.000 2.357 358 V HA -0.367 3.753 4.120 0.000 0.000 0.257 358 V C 2.440 178.531 176.094 -0.004 0.000 1.082 358 V CA 2.110 64.410 62.300 0.000 0.000 1.078 358 V CB -1.159 30.667 31.823 0.006 0.000 0.663 358 V HN 0.509 nan 8.190 nan 0.000 0.455 359 A N -0.650 122.166 122.820 -0.007 0.000 1.970 359 A HA -0.099 4.221 4.320 0.000 0.000 0.216 359 A C 2.351 179.926 177.584 -0.016 0.000 1.170 359 A CA 1.276 53.306 52.037 -0.012 0.000 0.645 359 A CB -0.342 18.651 19.000 -0.012 0.000 0.816 359 A HN 0.516 nan 8.150 nan 0.000 0.447 360 R N -0.916 119.573 120.500 -0.019 0.000 2.300 360 R HA 0.219 4.559 4.340 0.000 0.000 0.199 360 R C 1.754 178.043 176.300 -0.017 0.000 0.920 360 R CA 0.605 56.692 56.100 -0.022 0.000 1.046 360 R CB -0.012 30.269 30.300 -0.031 0.000 0.984 360 R HN 0.446 nan 8.270 nan 0.000 0.493 361 A N 0.112 122.925 122.820 -0.012 0.000 2.218 361 A HA 0.041 4.361 4.320 0.000 0.000 0.209 361 A C 1.718 179.298 177.584 -0.007 0.000 1.168 361 A CA 0.375 52.407 52.037 -0.008 0.000 0.804 361 A CB 0.321 19.319 19.000 -0.004 0.000 0.834 361 A HN 0.173 nan 8.150 nan 0.000 0.482 362 V N -1.186 118.722 119.914 -0.009 0.000 3.212 362 V HA 0.016 4.136 4.120 0.000 0.000 0.244 362 V C 1.552 177.638 176.094 -0.012 0.000 1.151 362 V CA 1.387 63.682 62.300 -0.010 0.000 1.119 362 V CB 0.144 31.961 31.823 -0.010 0.000 0.838 362 V HN 0.389 nan 8.190 nan 0.000 0.470 363 D N 0.658 121.050 120.400 -0.013 0.000 2.178 363 D HA -0.115 4.525 4.640 0.000 0.000 0.202 363 D C 1.593 177.886 176.300 -0.012 0.000 0.974 363 D CA 1.545 55.537 54.000 -0.014 0.000 0.841 363 D CB 0.023 40.814 40.800 -0.016 0.000 0.953 363 D HN 0.549 nan 8.370 nan 0.000 0.478 364 D N -0.447 119.946 120.400 -0.011 0.000 2.301 364 D HA 0.073 4.713 4.640 0.000 0.000 0.206 364 D C 1.802 178.098 176.300 -0.007 0.000 0.979 364 D CA 0.419 54.414 54.000 -0.009 0.000 0.874 364 D CB 0.010 40.804 40.800 -0.010 0.000 0.968 364 D HN 0.117 nan 8.370 nan 0.000 0.510 365 A N 0.835 123.651 122.820 -0.007 0.000 2.016 365 A HA -0.027 4.293 4.320 0.000 0.000 0.217 365 A C 2.220 179.800 177.584 -0.007 0.000 1.162 365 A CA 0.615 52.649 52.037 -0.005 0.000 0.662 365 A CB -0.293 18.704 19.000 -0.004 0.000 0.812 365 A HN 0.127 nan 8.150 nan 0.000 0.450 366 V N -0.590 119.319 119.914 -0.009 0.000 3.461 366 V HA 0.031 4.151 4.120 0.000 0.000 0.267 366 V C 2.259 178.347 176.094 -0.009 0.000 1.186 366 V CA 1.284 63.578 62.300 -0.010 0.000 1.154 366 V CB -0.463 31.352 31.823 -0.013 0.000 0.802 366 V HN 0.562 nan 8.190 nan 0.000 0.474 367 G N 0.797 109.592 108.800 -0.008 0.000 2.599 367 G HA2 -0.061 3.900 3.960 0.000 0.000 0.210 367 G HA3 -0.061 3.900 3.960 0.000 0.000 0.210 367 G C 1.637 176.533 174.900 -0.006 0.000 1.177 367 G CA 0.940 46.035 45.100 -0.007 0.000 0.835 367 G HN 0.376 nan 8.290 nan 0.000 0.575 368 V N 0.210 120.121 119.914 -0.005 0.000 2.277 368 V HA -0.229 3.892 4.120 0.000 0.000 0.253 368 V C 2.588 178.681 176.094 -0.002 0.000 1.067 368 V CA 2.194 64.492 62.300 -0.003 0.000 1.047 368 V CB -1.288 30.534 31.823 -0.002 0.000 0.649 368 V HN 0.121 nan 8.190 nan 0.000 0.447 369 V N 1.277 121.189 119.914 -0.003 0.000 3.041 369 V HA 0.123 4.244 4.120 0.000 0.000 0.260 369 V C 2.635 178.726 176.094 -0.004 0.000 1.105 369 V CA 1.517 63.815 62.300 -0.003 0.000 1.125 369 V CB -0.683 31.138 31.823 -0.004 0.000 0.730 369 V HN 0.676 nan 8.190 nan 0.000 0.479 370 G N -0.720 108.078 108.800 -0.005 0.000 2.712 370 G HA2 -0.141 3.819 3.960 0.000 0.000 0.212 370 G HA3 -0.141 3.819 3.960 0.000 0.000 0.212 370 G C 1.540 176.438 174.900 -0.004 0.000 1.142 370 G CA 0.802 45.899 45.100 -0.005 0.000 0.789 370 G HN 0.560 nan 8.290 nan 0.000 0.535 371 C N 0.653 119.951 119.300 -0.003 0.000 2.201 371 C HA -0.268 4.192 4.460 0.000 0.000 0.249 371 C C 3.024 178.013 174.990 -0.001 0.000 1.072 371 C CA 1.860 60.877 59.018 -0.002 0.000 1.812 371 C CB -1.608 26.131 27.740 -0.002 0.000 1.765 371 C HN 0.505 nan 8.230 nan 0.000 0.389 372 T N -0.741 113.812 114.554 -0.001 0.000 3.252 372 T HA 0.256 4.607 4.350 0.000 0.000 0.250 372 T C 1.083 175.782 174.700 -0.000 0.000 1.123 372 T CA 0.546 62.646 62.100 0.000 0.000 1.006 372 T CB -0.467 68.402 68.868 0.001 0.000 0.992 372 T HN 0.542 nan 8.240 nan 0.000 0.547 373 I N 0.308 120.877 120.570 -0.001 0.000 3.632 373 I HA 0.256 4.426 4.170 0.000 0.000 0.246 373 I C 2.057 178.174 176.117 -0.001 0.000 1.125 373 I CA 0.398 61.697 61.300 -0.001 0.000 1.519 373 I CB -0.525 37.474 38.000 -0.002 0.000 1.555 373 I HN 0.308 nan 8.210 nan 0.000 0.452 374 E N 0.655 120.855 120.200 -0.001 0.000 2.502 374 E HA -0.006 4.344 4.350 0.000 0.000 0.194 374 E C -0.568 176.031 176.600 -0.001 0.000 1.062 374 E CA 0.387 56.787 56.400 -0.001 0.000 0.867 374 E CB 0.417 30.116 29.700 -0.001 0.000 0.888 374 E HN 0.302 nan 8.360 nan 0.000 0.510 375 D N -1.128 119.272 120.400 -0.001 0.000 2.931 375 D HA 0.095 4.735 4.640 0.000 0.000 0.215 375 D C 0.427 176.727 176.300 0.001 0.000 1.297 375 D CA -0.294 53.706 54.000 -0.000 0.000 0.892 375 D CB 1.717 42.517 40.800 -0.000 0.000 1.642 375 D HN 0.045 nan 8.370 nan 0.000 0.560 376 G N 1.774 110.575 108.800 0.001 0.000 2.498 376 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 376 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 376 G C 0.774 175.676 174.900 0.003 0.000 1.119 376 G CA 0.632 45.733 45.100 0.002 0.000 0.766 376 G HN 0.273 nan 8.290 nan 0.000 0.552 377 R N -0.238 120.264 120.500 0.003 0.000 2.548 377 R HA 0.475 4.815 4.340 0.000 0.000 0.280 377 R C -0.996 175.308 176.300 0.006 0.000 1.061 377 R CA -0.694 55.409 56.100 0.005 0.000 0.915 377 R CB 1.441 31.744 30.300 0.004 0.000 1.210 377 R HN 0.202 nan 8.270 nan 0.000 0.442 378 I N 0.144 120.720 120.570 0.009 0.000 2.648 378 I HA 0.745 4.916 4.170 0.000 0.000 0.304 378 I C -0.977 175.150 176.117 0.016 0.000 1.009 378 I CA -1.086 60.220 61.300 0.011 0.000 1.114 378 I CB 2.184 40.190 38.000 0.010 0.000 1.293 378 I HN 0.214 nan 8.210 nan 0.000 0.449 379 V N 3.040 122.966 119.914 0.019 0.000 2.711 379 V HA 0.245 4.365 4.120 0.000 0.000 0.304 379 V C -0.084 176.029 176.094 0.032 0.000 1.097 379 V CA -0.291 62.025 62.300 0.027 0.000 0.906 379 V CB 2.395 34.235 31.823 0.028 0.000 1.015 379 V HN 0.889 nan 8.190 nan 0.000 0.427 380 S N 5.143 120.872 115.700 0.049 0.000 2.670 380 S HA 0.269 4.739 4.470 0.000 0.000 0.328 380 S C 0.836 175.465 174.600 0.048 0.000 1.179 380 S CA 0.367 58.598 58.200 0.051 0.000 1.194 380 S CB -0.052 63.192 63.200 0.073 0.000 1.359 380 S HN 1.137 nan 8.310 nan 0.000 0.555 381 G N 2.093 110.912 108.800 0.033 0.000 2.905 381 G HA2 0.294 4.254 3.960 0.000 0.000 0.233 381 G HA3 0.294 4.254 3.960 0.000 0.000 0.233 381 G C 1.084 175.998 174.900 0.024 0.000 1.243 381 G CA -0.091 45.024 45.100 0.024 0.000 0.856 381 G HN 1.443 nan 8.290 nan 0.000 0.594 382 G N -1.196 107.611 108.800 0.012 0.000 2.249 382 G HA2 0.275 4.235 3.960 0.000 0.000 0.273 382 G HA3 0.275 4.235 3.960 0.000 0.000 0.273 382 G C 1.293 176.202 174.900 0.014 0.000 1.036 382 G CA 1.040 46.142 45.100 0.003 0.000 0.824 382 G HN 2.721 nan 8.290 nan 0.000 0.504 383 G N -2.015 106.799 108.800 0.024 0.000 2.141 383 G HA2 0.046 4.006 3.960 0.000 0.000 0.164 383 G HA3 0.046 4.006 3.960 0.000 0.000 0.164 383 G C 1.382 176.310 174.900 0.047 0.000 1.009 383 G CA 1.040 46.151 45.100 0.020 0.000 0.677 383 G HN 1.539 nan 8.290 nan 0.000 0.508 384 S N -0.040 115.725 115.700 0.109 0.000 2.402 384 S HA -0.330 4.140 4.470 0.000 0.000 0.281 384 S C 2.321 176.892 174.600 -0.048 0.000 1.097 384 S CA 2.622 60.934 58.200 0.186 0.000 1.368 384 S CB -0.824 62.563 63.200 0.313 0.000 1.255 384 S HN 0.722 nan 8.310 nan 0.000 0.450 385 T N 2.585 117.125 114.554 -0.025 0.000 2.812 385 T HA -0.073 4.277 4.350 0.000 0.000 0.264 385 T C 1.915 176.554 174.700 -0.102 0.000 1.042 385 T CA 1.327 63.382 62.100 -0.074 0.000 1.140 385 T CB -0.424 68.435 68.868 -0.015 0.000 0.870 385 T HN 0.458 nan 8.240 nan 0.000 0.445 386 E N 1.812 121.975 120.200 -0.061 0.000 2.026 386 E HA -0.147 4.203 4.350 0.000 0.000 0.206 386 E C 2.531 179.094 176.600 -0.063 0.000 1.028 386 E CA 1.669 58.044 56.400 -0.042 0.000 0.845 386 E CB -1.485 28.200 29.700 -0.026 0.000 0.772 386 E HN 0.563 nan 8.360 nan 0.000 0.462 387 V N -0.083 119.784 119.914 -0.078 0.000 2.867 387 V HA -0.157 3.963 4.120 0.000 0.000 0.260 387 V C 2.200 178.213 176.094 -0.135 0.000 1.099 387 V CA 2.197 64.450 62.300 -0.078 0.000 1.122 387 V CB -0.613 31.188 31.823 -0.036 0.000 0.708 387 V HN 0.079 nan 8.190 nan 0.000 0.490 388 E N 0.877 120.917 120.200 -0.268 0.000 2.086 388 E HA 0.034 4.384 4.350 0.000 0.000 0.190 388 E C 1.927 178.438 176.600 -0.149 0.000 0.975 388 E CA 1.112 57.318 56.400 -0.324 0.000 0.813 388 E CB -0.402 28.884 29.700 -0.690 0.000 0.768 388 E HN 0.641 nan 8.360 nan 0.000 0.457 389 L N 0.297 121.452 121.223 -0.113 0.000 2.083 389 L HA -0.164 4.176 4.340 0.000 0.000 0.209 389 L C 2.586 179.442 176.870 -0.023 0.000 1.083 389 L CA 1.273 56.078 54.840 -0.058 0.000 0.752 389 L CB -0.787 41.255 42.059 -0.028 0.000 0.899 389 L HN 0.176 nan 8.230 nan 0.000 0.433 390 S N 1.217 116.905 115.700 -0.021 0.000 2.392 390 S HA -0.280 4.190 4.470 0.000 0.000 0.225 390 S C 2.035 176.645 174.600 0.017 0.000 1.041 390 S CA 2.299 60.503 58.200 0.007 0.000 1.100 390 S CB -0.255 62.944 63.200 -0.002 0.000 1.029 390 S HN 0.486 nan 8.310 nan 0.000 0.424 391 M N -0.548 119.053 119.600 0.003 0.000 2.557 391 M HA 0.134 4.614 4.480 0.000 0.000 0.259 391 M C 1.956 178.272 176.300 0.026 0.000 1.086 391 M CA 1.226 56.536 55.300 0.017 0.000 1.096 391 M CB -0.393 32.217 32.600 0.016 0.000 1.424 391 M HN 0.171 nan 8.290 nan 0.000 0.488 392 K N 1.312 121.721 120.400 0.015 0.000 2.137 392 K HA 0.150 4.470 4.320 0.000 0.000 0.202 392 K C 1.668 178.308 176.600 0.068 0.000 1.052 392 K CA 0.807 57.111 56.287 0.028 0.000 0.961 392 K CB 0.119 32.616 32.500 -0.004 0.000 0.741 392 K HN 0.368 nan 8.250 nan 0.000 0.452 393 L N 0.153 121.411 121.223 0.058 0.000 2.592 393 L HA 0.101 4.441 4.340 0.000 0.000 0.227 393 L C 2.203 179.172 176.870 0.166 0.000 1.127 393 L CA 0.096 55.006 54.840 0.116 0.000 0.884 393 L CB -0.038 42.044 42.059 0.038 0.000 1.065 393 L HN 0.048 nan 8.230 nan 0.000 0.457 394 R N 0.727 121.289 120.500 0.103 0.000 2.055 394 R HA -0.108 4.232 4.340 0.000 0.000 0.226 394 R C 2.016 178.355 176.300 0.064 0.000 1.135 394 R CA 1.168 57.314 56.100 0.077 0.000 0.959 394 R CB 0.005 30.336 30.300 0.051 0.000 0.854 394 R HN 0.317 nan 8.270 nan 0.000 0.431 395 E N -0.286 119.954 120.200 0.067 0.000 2.164 395 E HA -0.326 4.024 4.350 0.000 0.000 0.206 395 E C 1.757 178.395 176.600 0.063 0.000 1.032 395 E CA 1.925 58.362 56.400 0.061 0.000 0.832 395 E CB -0.524 29.204 29.700 0.047 0.000 0.742 395 E HN 0.521 nan 8.360 nan 0.000 0.460 396 Y N 1.220 121.518 120.300 -0.005 0.000 2.314 396 Y HA 0.134 4.684 4.550 0.000 0.000 0.294 396 Y C 2.358 178.252 175.900 -0.011 0.000 1.119 396 Y CA 0.719 58.813 58.100 -0.010 0.000 1.179 396 Y CB -0.391 38.059 38.460 -0.017 0.000 1.025 396 Y HN 0.015 nan 8.280 nan 0.000 0.541 397 A N 1.020 123.751 122.820 -0.149 0.000 1.863 397 A HA -0.353 3.967 4.320 0.000 0.000 0.218 397 A C 2.050 179.519 177.584 -0.192 0.000 1.233 397 A CA 2.439 54.378 52.037 -0.164 0.000 0.655 397 A CB -1.266 17.719 19.000 -0.026 0.000 0.839 397 A HN 0.610 nan 8.150 nan 0.000 0.454 398 E N -0.936 119.200 120.200 -0.107 0.000 2.394 398 E HA -0.146 4.205 4.350 0.000 0.000 0.202 398 E C 1.835 178.363 176.600 -0.119 0.000 1.029 398 E CA 0.600 56.948 56.400 -0.087 0.000 0.855 398 E CB -0.346 29.327 29.700 -0.045 0.000 0.770 398 E HN 0.673 nan 8.360 nan 0.000 0.527 399 G N 1.062 109.744 108.800 -0.196 0.000 2.396 399 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 399 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 399 G C 1.605 176.373 174.900 -0.220 0.000 1.166 399 G CA 0.660 45.633 45.100 -0.210 0.000 0.793 399 G HN 0.357 nan 8.290 nan 0.000 0.533 400 I N -1.193 119.203 120.570 -0.291 0.000 2.333 400 I HA 0.166 4.336 4.170 0.000 0.000 0.246 400 I C 1.307 177.346 176.117 -0.131 0.000 1.106 400 I CA 0.594 61.753 61.300 -0.235 0.000 1.411 400 I CB -0.723 37.107 38.000 -0.284 0.000 1.082 400 I HN 0.254 nan 8.210 nan 0.000 0.420 401 S N 0.367 116.002 115.700 -0.109 0.000 3.568 401 S HA 0.151 4.621 4.470 0.000 0.000 0.835 401 S C 0.109 174.670 174.600 -0.065 0.000 1.288 401 S CA 0.878 59.034 58.200 -0.074 0.000 0.971 401 S CB -1.376 61.790 63.200 -0.057 0.000 0.503 401 S HN 2.321 nan 8.310 nan 0.000 0.380 402 G N 3.268 112.038 108.800 -0.050 0.000 2.416 402 G HA2 -0.082 3.878 3.960 0.000 0.000 0.203 402 G HA3 -0.082 3.878 3.960 0.000 0.000 0.203 402 G C 0.154 175.028 174.900 -0.043 0.000 1.227 402 G CA 0.249 45.324 45.100 -0.042 0.000 1.041 402 G HN 1.294 nan 8.290 nan 0.000 0.546 403 R N 0.646 121.120 120.500 -0.044 0.000 2.246 403 R HA 0.108 4.448 4.340 0.000 0.000 0.199 403 R C 1.837 178.086 176.300 -0.085 0.000 0.984 403 R CA 1.396 57.464 56.100 -0.053 0.000 1.015 403 R CB -0.039 30.236 30.300 -0.041 0.000 0.930 403 R HN 0.506 nan 8.270 nan 0.000 0.475 404 E N 1.675 121.823 120.200 -0.086 0.000 2.333 404 E HA -0.206 4.144 4.350 0.000 0.000 0.198 404 E C 1.906 178.455 176.600 -0.085 0.000 1.007 404 E CA 0.948 57.286 56.400 -0.104 0.000 0.845 404 E CB -0.223 29.426 29.700 -0.084 0.000 0.766 404 E HN 0.462 nan 8.360 nan 0.000 0.507 405 Q N 0.450 120.208 119.800 -0.071 0.000 2.046 405 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 405 Q C 1.384 177.369 176.000 -0.025 0.000 0.975 405 Q CA 1.130 56.897 55.803 -0.059 0.000 0.836 405 Q CB -0.020 28.687 28.738 -0.053 0.000 0.896 405 Q HN 0.329 nan 8.270 nan 0.000 0.428 406 L N 0.541 121.745 121.223 -0.031 0.000 2.599 406 L HA 0.161 4.501 4.340 0.000 0.000 0.230 406 L C 1.950 178.839 176.870 0.031 0.000 1.141 406 L CA 0.826 55.666 54.840 0.000 0.000 0.877 406 L CB -0.263 41.796 42.059 0.000 0.000 1.009 406 L HN 0.243 nan 8.230 nan 0.000 0.447 407 A N 0.187 122.984 122.820 -0.039 0.000 1.862 407 A HA -0.003 4.317 4.320 0.000 0.000 0.211 407 A C 2.306 180.080 177.584 0.316 0.000 1.220 407 A CA 1.118 53.082 52.037 -0.122 0.000 0.616 407 A CB -0.912 17.658 19.000 -0.717 0.000 0.878 407 A HN 0.145 nan 8.150 nan 0.000 0.453 408 V N -0.688 119.311 119.914 0.142 0.000 2.278 408 V HA -0.365 3.755 4.120 0.000 0.000 0.251 408 V C 2.224 178.444 176.094 0.210 0.000 1.062 408 V CA 2.499 64.914 62.300 0.192 0.000 1.038 408 V CB -1.292 30.631 31.823 0.166 0.000 0.646 408 V HN 0.526 nan 8.190 nan 0.000 0.447 409 R N 1.009 121.600 120.500 0.152 0.000 2.120 409 R HA 0.037 4.377 4.340 0.000 0.000 0.234 409 R C 2.452 178.839 176.300 0.146 0.000 1.123 409 R CA 1.487 57.661 56.100 0.123 0.000 0.975 409 R CB -0.629 29.720 30.300 0.082 0.000 0.866 409 R HN 0.667 nan 8.270 nan 0.000 0.446 410 A N 0.046 122.988 122.820 0.202 0.000 2.072 410 A HA -0.077 4.243 4.320 0.000 0.000 0.216 410 A C 1.585 179.294 177.584 0.208 0.000 1.156 410 A CA 0.464 52.618 52.037 0.196 0.000 0.701 410 A CB -0.197 18.940 19.000 0.228 0.000 0.816 410 A HN 0.313 nan 8.150 nan 0.000 0.458 411 F N 0.109 120.120 119.950 0.101 0.000 2.776 411 F HA 0.426 4.953 4.527 0.000 0.000 0.300 411 F C 1.895 177.699 175.800 0.005 0.000 1.116 411 F CA -0.060 57.941 58.000 0.000 0.000 1.375 411 F CB -0.280 38.670 39.000 -0.084 0.000 1.109 411 F HN 0.219 nan 8.300 nan 0.000 0.585 412 A N -0.781 122.192 122.820 0.256 0.000 1.973 412 A HA 0.054 4.375 4.320 0.000 0.000 0.210 412 A C 1.870 179.506 177.584 0.088 0.000 1.200 412 A CA 0.832 52.960 52.037 0.152 0.000 0.707 412 A CB -0.539 18.531 19.000 0.116 0.000 0.862 412 A HN 0.174 nan 8.150 nan 0.000 0.461 413 D N 0.305 120.752 120.400 0.078 0.000 2.264 413 D HA 0.038 4.678 4.640 0.000 0.000 0.208 413 D C 1.988 178.293 176.300 0.009 0.000 0.966 413 D CA 1.165 55.188 54.000 0.039 0.000 0.864 413 D CB 0.034 40.858 40.800 0.041 0.000 0.933 413 D HN 0.373 nan 8.370 nan 0.000 0.499 414 A N 0.068 122.884 122.820 -0.008 0.000 1.970 414 A HA -0.010 4.310 4.320 0.000 0.000 0.216 414 A C 2.257 179.796 177.584 -0.076 0.000 1.170 414 A CA 0.340 52.331 52.037 -0.077 0.000 0.645 414 A CB -0.548 18.351 19.000 -0.168 0.000 0.816 414 A HN 0.246 nan 8.150 nan 0.000 0.447 415 L N -0.379 120.827 121.223 -0.029 0.000 2.349 415 L HA -0.182 4.158 4.340 0.000 0.000 0.220 415 L C 2.411 179.266 176.870 -0.025 0.000 1.130 415 L CA 1.129 55.957 54.840 -0.020 0.000 0.791 415 L CB -0.409 41.670 42.059 0.033 0.000 0.918 415 L HN 0.497 nan 8.230 nan 0.000 0.444 416 E N -0.272 119.916 120.200 -0.020 0.000 2.216 416 E HA -0.150 4.200 4.350 0.000 0.000 0.192 416 E C 2.200 178.783 176.600 -0.027 0.000 0.988 416 E CA 0.563 56.952 56.400 -0.018 0.000 0.834 416 E CB 0.167 29.861 29.700 -0.010 0.000 0.772 416 E HN 0.247 nan 8.360 nan 0.000 0.479 417 V N 2.164 122.055 119.914 -0.038 0.000 2.241 417 V HA -0.403 3.718 4.120 0.000 0.000 0.256 417 V C 2.309 178.378 176.094 -0.042 0.000 1.060 417 V CA 2.202 64.475 62.300 -0.045 0.000 1.065 417 V CB -0.480 31.308 31.823 -0.057 0.000 0.685 417 V HN 0.358 nan 8.190 nan 0.000 0.467 418 I N -0.113 120.430 120.570 -0.045 0.000 2.121 418 I HA -0.230 3.940 4.170 0.000 0.000 0.243 418 I C 0.258 176.355 176.117 -0.034 0.000 1.047 418 I CA 2.947 64.223 61.300 -0.040 0.000 1.308 418 I CB -2.532 35.444 38.000 -0.040 0.000 1.015 418 I HN 0.416 nan 8.210 nan 0.000 0.410 419 P HA -0.092 nan 4.420 nan 0.000 0.217 419 P C 1.787 179.072 177.300 -0.025 0.000 1.154 419 P CA 1.198 64.284 63.100 -0.023 0.000 0.841 419 P CB -0.187 31.504 31.700 -0.014 0.000 0.788 420 R N 0.065 120.551 120.500 -0.024 0.000 2.105 420 R HA -0.125 4.215 4.340 0.000 0.000 0.239 420 R C 1.839 178.122 176.300 -0.028 0.000 1.135 420 R CA 2.300 58.386 56.100 -0.023 0.000 0.967 420 R CB -0.795 29.492 30.300 -0.021 0.000 0.861 420 R HN 0.233 nan 8.270 nan 0.000 0.442 421 T N -1.932 112.603 114.554 -0.032 0.000 3.081 421 T HA 0.078 4.428 4.350 0.000 0.000 0.255 421 T C 1.924 176.601 174.700 -0.039 0.000 1.113 421 T CA 0.256 62.335 62.100 -0.034 0.000 1.082 421 T CB -0.066 68.781 68.868 -0.035 0.000 0.939 421 T HN 0.178 nan 8.240 nan 0.000 0.506 422 L N 0.820 122.018 121.223 -0.043 0.000 2.056 422 L HA 0.083 4.423 4.340 0.000 0.000 0.207 422 L C 3.323 180.156 176.870 -0.061 0.000 1.078 422 L CA 1.270 56.078 54.840 -0.053 0.000 0.749 422 L CB -0.898 41.126 42.059 -0.057 0.000 0.901 422 L HN 0.375 nan 8.230 nan 0.000 0.433 423 A N -0.026 122.764 122.820 -0.050 0.000 1.858 423 A HA -0.235 4.085 4.320 0.000 0.000 0.216 423 A C 2.227 179.789 177.584 -0.038 0.000 1.190 423 A CA 1.634 53.644 52.037 -0.044 0.000 0.617 423 A CB -0.584 18.398 19.000 -0.030 0.000 0.827 423 A HN 0.395 nan 8.150 nan 0.000 0.443 424 E N -0.484 119.697 120.200 -0.032 0.000 2.171 424 E HA -0.202 4.148 4.350 0.000 0.000 0.197 424 E C 1.693 178.275 176.600 -0.029 0.000 0.997 424 E CA 1.081 57.465 56.400 -0.026 0.000 0.810 424 E CB -0.103 29.582 29.700 -0.024 0.000 0.738 424 E HN 0.582 nan 8.360 nan 0.000 0.467 425 N N -0.437 118.241 118.700 -0.037 0.000 2.333 425 N HA -0.019 4.721 4.740 0.000 0.000 0.178 425 N C 1.443 176.926 175.510 -0.044 0.000 1.018 425 N CA 0.681 53.708 53.050 -0.039 0.000 0.882 425 N CB 0.166 38.624 38.487 -0.048 0.000 0.984 425 N HN 0.047 nan 8.380 nan 0.000 0.434 426 A N 0.498 123.285 122.820 -0.055 0.000 2.248 426 A HA 0.176 4.496 4.320 0.000 0.000 0.210 426 A C 1.573 179.137 177.584 -0.033 0.000 1.174 426 A CA 1.139 53.142 52.037 -0.057 0.000 0.750 426 A CB -0.683 18.269 19.000 -0.080 0.000 0.780 426 A HN 0.376 nan 8.150 nan 0.000 0.478 427 G N -1.493 107.290 108.800 -0.027 0.000 2.196 427 G HA2 -0.281 3.679 3.960 0.000 0.000 0.268 427 G HA3 -0.281 3.679 3.960 0.000 0.000 0.268 427 G C 0.332 175.222 174.900 -0.015 0.000 0.975 427 G CA 0.737 45.825 45.100 -0.018 0.000 0.648 427 G HN 0.474 nan 8.290 nan 0.000 0.538 428 L N -0.071 121.141 121.223 -0.019 0.000 2.482 428 L HA 0.364 4.704 4.340 0.000 0.000 0.242 428 L C 0.573 177.435 176.870 -0.012 0.000 1.210 428 L CA -0.595 54.237 54.840 -0.014 0.000 0.819 428 L CB 0.224 42.274 42.059 -0.015 0.000 1.203 428 L HN 0.020 nan 8.230 nan 0.000 0.495 429 D N 0.135 120.530 120.400 -0.008 0.000 2.393 429 D HA 0.229 4.869 4.640 0.000 0.000 0.232 429 D C 0.806 177.102 176.300 -0.007 0.000 1.192 429 D CA 0.316 54.312 54.000 -0.007 0.000 0.882 429 D CB 1.448 42.245 40.800 -0.004 0.000 1.038 429 D HN 0.607 nan 8.370 nan 0.000 0.499 430 A N 4.987 127.801 122.820 -0.010 0.000 1.827 430 A HA -0.336 3.984 4.320 0.000 0.000 0.262 430 A C 2.288 179.869 177.584 -0.004 0.000 2.408 430 A CA 2.619 54.651 52.037 -0.008 0.000 0.827 430 A CB -1.377 17.617 19.000 -0.011 0.000 0.840 430 A HN 0.842 nan 8.150 nan 0.000 0.513 431 I N -1.793 118.776 120.570 -0.002 0.000 2.290 431 I HA -0.291 3.879 4.170 0.000 0.000 0.253 431 I C 1.777 177.896 176.117 0.003 0.000 1.112 431 I CA 2.750 64.050 61.300 0.000 0.000 1.377 431 I CB -0.303 37.698 38.000 0.001 0.000 1.060 431 I HN 0.538 nan 8.210 nan 0.000 0.428 432 E N 0.593 120.794 120.200 0.003 0.000 2.452 432 E HA 0.061 4.411 4.350 0.000 0.000 0.197 432 E C 2.122 178.726 176.600 0.007 0.000 1.022 432 E CA 0.229 56.632 56.400 0.005 0.000 0.890 432 E CB 0.373 30.076 29.700 0.005 0.000 0.918 432 E HN 0.601 nan 8.360 nan 0.000 0.496 433 I N 1.024 121.597 120.570 0.005 0.000 2.206 433 I HA -0.198 3.972 4.170 0.000 0.000 0.239 433 I C 2.353 178.477 176.117 0.011 0.000 1.078 433 I CA 0.594 61.898 61.300 0.007 0.000 1.367 433 I CB -0.801 37.201 38.000 0.003 0.000 1.078 433 I HN 0.153 nan 8.210 nan 0.000 0.413 434 L N 1.031 122.259 121.223 0.008 0.000 2.123 434 L HA -0.244 4.096 4.340 0.000 0.000 0.217 434 L C 2.641 179.520 176.870 0.016 0.000 1.081 434 L CA 1.764 56.611 54.840 0.010 0.000 0.772 434 L CB -1.218 40.844 42.059 0.005 0.000 0.890 434 L HN 0.132 nan 8.230 nan 0.000 0.437 435 V N -1.184 118.738 119.914 0.014 0.000 2.719 435 V HA -0.205 3.915 4.120 0.000 0.000 0.252 435 V C 2.468 178.574 176.094 0.020 0.000 1.065 435 V CA 1.262 63.572 62.300 0.016 0.000 1.086 435 V CB -0.310 31.520 31.823 0.012 0.000 0.700 435 V HN 0.356 nan 8.190 nan 0.000 0.467 436 K N -0.302 120.110 120.400 0.020 0.000 2.044 436 K HA -0.037 4.283 4.320 0.000 0.000 0.204 436 K C 1.977 178.595 176.600 0.031 0.000 1.049 436 K CA 0.994 57.294 56.287 0.021 0.000 0.945 436 K CB -0.118 32.393 32.500 0.018 0.000 0.724 436 K HN 0.274 nan 8.250 nan 0.000 0.440 437 V N 0.960 120.897 119.914 0.038 0.000 2.323 437 V HA -0.182 3.938 4.120 0.000 0.000 0.244 437 V C 2.157 178.302 176.094 0.086 0.000 1.041 437 V CA 1.606 63.941 62.300 0.059 0.000 1.025 437 V CB -0.411 31.448 31.823 0.060 0.000 0.656 437 V HN 0.246 nan 8.190 nan 0.000 0.451 438 R N 0.493 121.028 120.500 0.059 0.000 2.070 438 R HA -0.109 4.231 4.340 0.000 0.000 0.233 438 R C 2.394 178.739 176.300 0.075 0.000 1.137 438 R CA 1.607 57.744 56.100 0.061 0.000 0.945 438 R CB -0.684 29.638 30.300 0.036 0.000 0.845 438 R HN 0.509 nan 8.270 nan 0.000 0.430 439 A N 0.797 123.648 122.820 0.051 0.000 2.067 439 A HA -0.004 4.316 4.320 0.000 0.000 0.219 439 A C 2.177 179.788 177.584 0.045 0.000 1.158 439 A CA 1.442 53.505 52.037 0.043 0.000 0.661 439 A CB -0.326 18.692 19.000 0.030 0.000 0.801 439 A HN 0.415 nan 8.150 nan 0.000 0.452 440 A N -1.701 121.149 122.820 0.049 0.000 1.975 440 A HA -0.008 4.312 4.320 0.000 0.000 0.215 440 A C 1.890 179.485 177.584 0.020 0.000 1.170 440 A CA 1.448 53.499 52.037 0.024 0.000 0.656 440 A CB -0.617 18.390 19.000 0.011 0.000 0.821 440 A HN 0.706 nan 8.150 nan 0.000 0.449 441 H N -0.916 118.159 119.070 0.008 0.000 2.436 441 H HA 0.236 4.792 4.556 0.000 0.000 0.294 441 H C 2.123 177.456 175.328 0.008 0.000 1.048 441 H CA 0.855 56.908 56.048 0.008 0.000 1.353 441 H CB 0.125 29.892 29.762 0.008 0.000 1.414 441 H HN 0.462 nan 8.280 nan 0.000 0.536 442 A N -0.925 121.995 122.820 0.167 0.000 2.172 442 A HA -0.054 4.266 4.320 0.000 0.000 0.216 442 A C 2.065 179.688 177.584 0.065 0.000 1.154 442 A CA 1.542 53.641 52.037 0.103 0.000 0.701 442 A CB -0.059 18.981 19.000 0.066 0.000 0.789 442 A HN 0.366 nan 8.150 nan 0.000 0.465 443 S N -1.167 114.559 115.700 0.044 0.000 2.811 443 S HA 0.046 4.516 4.470 0.000 0.000 0.237 443 S C 1.680 176.277 174.600 -0.005 0.000 1.038 443 S CA 0.460 58.670 58.200 0.017 0.000 0.881 443 S CB -0.215 62.993 63.200 0.013 0.000 0.815 443 S HN 0.708 nan 8.310 nan 0.000 0.582 444 N N 0.508 119.188 118.700 -0.033 0.000 2.081 444 N HA 0.322 5.062 4.740 0.000 0.000 0.191 444 N C 0.844 176.307 175.510 -0.080 0.000 1.053 444 N CA 0.895 53.906 53.050 -0.065 0.000 0.846 444 N CB 0.064 38.499 38.487 -0.087 0.000 1.032 444 N HN 0.457 nan 8.380 nan 0.000 0.431 445 G N -0.729 107.977 108.800 -0.157 0.000 2.356 445 G HA2 -0.115 3.846 3.960 0.000 0.000 0.266 445 G HA3 -0.115 3.846 3.960 0.000 0.000 0.266 445 G C -0.707 174.024 174.900 -0.282 0.000 1.312 445 G CA -0.038 44.993 45.100 -0.116 0.000 0.922 445 G HN 0.328 nan 8.290 nan 0.000 0.480 446 N N 0.468 119.141 118.700 -0.045 0.000 2.171 446 N HA -0.035 4.705 4.740 0.000 0.000 0.184 446 N C 1.681 177.214 175.510 0.038 0.000 1.021 446 N CA 1.716 54.843 53.050 0.129 0.000 0.854 446 N CB -0.169 38.376 38.487 0.097 0.000 0.994 446 N HN 0.704 nan 8.380 nan 0.000 0.426 447 K N -0.703 119.674 120.400 -0.038 0.000 2.387 447 K HA 0.248 4.568 4.320 0.000 0.000 0.198 447 K C -0.247 176.310 176.600 -0.072 0.000 1.022 447 K CA -0.095 56.174 56.287 -0.031 0.000 1.128 447 K CB 0.164 32.654 32.500 -0.016 0.000 0.853 447 K HN 0.229 nan 8.250 nan 0.000 0.523 448 C N 1.670 120.866 119.300 -0.173 0.000 3.276 448 C HA 0.747 5.208 4.460 0.000 0.000 0.226 448 C C -0.681 174.167 174.990 -0.236 0.000 1.502 448 C CA -0.190 58.728 59.018 -0.167 0.000 1.488 448 C CB -0.825 26.866 27.740 -0.081 0.000 2.014 448 C HN 0.469 nan 8.230 nan 0.000 0.492 449 A N 1.962 124.679 122.820 -0.171 0.000 2.330 449 A HA 0.623 4.943 4.320 0.000 0.000 0.303 449 A C -0.222 177.417 177.584 0.092 0.000 1.150 449 A CA 0.402 52.410 52.037 -0.047 0.000 0.921 449 A CB -0.437 18.517 19.000 -0.077 0.000 1.462 449 A HN 1.144 nan 8.150 nan 0.000 0.388 450 G N -0.178 108.651 108.800 0.049 0.000 3.013 450 G HA2 0.715 4.675 3.960 0.000 0.000 0.278 450 G HA3 0.715 4.675 3.960 0.000 0.000 0.278 450 G C -1.175 173.749 174.900 0.040 0.000 1.353 450 G CA -0.813 44.319 45.100 0.053 0.000 1.043 450 G HN 0.819 nan 8.290 nan 0.000 0.523 451 L N 1.044 122.283 121.223 0.026 0.000 2.480 451 L HA 0.320 4.661 4.340 0.000 0.000 0.253 451 L C -0.225 176.638 176.870 -0.012 0.000 1.324 451 L CA -0.724 54.120 54.840 0.007 0.000 0.916 451 L CB 1.006 43.066 42.059 0.002 0.000 1.160 451 L HN 0.416 nan 8.230 nan 0.000 0.503 452 N N 0.768 119.476 118.700 0.013 0.000 2.468 452 N HA 0.059 4.799 4.740 0.000 0.000 0.265 452 N C 1.188 176.667 175.510 -0.052 0.000 1.199 452 N CA 0.091 53.154 53.050 0.022 0.000 0.928 452 N CB 1.619 40.174 38.487 0.114 0.000 1.059 452 N HN 0.361 nan 8.380 nan 0.000 0.467 453 V N 2.006 121.780 119.914 -0.233 0.000 3.380 453 V HA 0.093 4.213 4.120 0.000 0.000 0.268 453 V C 1.215 177.164 176.094 -0.242 0.000 1.168 453 V CA 0.978 63.101 62.300 -0.296 0.000 1.156 453 V CB -1.019 30.484 31.823 -0.534 0.000 0.785 453 V HN 0.421 nan 8.190 nan 0.000 0.487 454 F N 1.181 121.132 119.950 0.002 0.000 2.188 454 F HA 0.167 4.694 4.527 0.000 0.000 0.289 454 F C 2.646 178.447 175.800 0.001 0.000 1.082 454 F CA 1.891 59.892 58.000 0.001 0.000 1.282 454 F CB -0.895 38.105 39.000 0.001 0.000 1.060 454 F HN 0.046 nan 8.300 nan 0.000 0.493 455 T N -1.562 113.115 114.554 0.204 0.000 2.852 455 T HA 0.301 4.651 4.350 0.000 0.000 0.256 455 T C 0.576 175.315 174.700 0.066 0.000 1.038 455 T CA 1.272 63.438 62.100 0.111 0.000 1.141 455 T CB -0.535 68.388 68.868 0.090 0.000 0.869 455 T HN 0.418 nan 8.240 nan 0.000 0.439 456 G N 0.926 109.757 108.800 0.052 0.000 3.055 456 G HA2 0.441 4.401 3.960 0.000 0.000 0.654 456 G HA3 0.441 4.401 3.960 0.000 0.000 0.654 456 G C -0.343 174.571 174.900 0.024 0.000 1.134 456 G CA -0.561 44.552 45.100 0.022 0.000 1.049 456 G HN 0.972 nan 8.290 nan 0.000 0.458 457 A N 0.786 123.619 122.820 0.023 0.000 2.517 457 A HA 0.871 5.191 4.320 0.000 0.000 0.296 457 A C -0.231 177.367 177.584 0.024 0.000 0.983 457 A CA 0.159 52.210 52.037 0.023 0.000 0.634 457 A CB 0.649 19.667 19.000 0.031 0.000 1.341 457 A HN 2.072 nan 8.150 nan 0.000 0.438 458 V N 0.389 120.316 119.914 0.022 0.000 3.133 458 V HA 0.657 4.778 4.120 0.000 0.000 0.305 458 V C 0.162 176.267 176.094 0.019 0.000 1.084 458 V CA 1.413 63.727 62.300 0.023 0.000 1.089 458 V CB 1.512 33.348 31.823 0.022 0.000 1.073 458 V HN 1.603 nan 8.190 nan 0.000 0.477 459 E N 2.752 122.960 120.200 0.014 0.000 2.933 459 E HA 0.061 4.411 4.350 0.000 0.000 0.372 459 E C -1.196 175.408 176.600 0.008 0.000 1.011 459 E CA -0.383 56.029 56.400 0.020 0.000 0.704 459 E CB 0.003 29.725 29.700 0.037 0.000 1.423 459 E HN 0.557 nan 8.360 nan 0.000 0.420 460 D N 6.050 126.449 120.400 -0.002 0.000 2.429 460 D HA 0.017 4.657 4.640 0.000 0.000 0.253 460 D C 0.741 177.042 176.300 0.001 0.000 1.294 460 D CA 0.097 54.090 54.000 -0.013 0.000 1.063 460 D CB 0.455 41.245 40.800 -0.017 0.000 1.096 460 D HN 0.613 nan 8.370 nan 0.000 0.516 461 M N 1.888 121.492 119.600 0.007 0.000 2.117 461 M HA -0.201 4.279 4.480 0.000 0.000 0.262 461 M C 2.272 178.582 176.300 0.016 0.000 1.065 461 M CA 0.695 56.008 55.300 0.022 0.000 1.114 461 M CB -0.691 31.925 32.600 0.027 0.000 1.361 461 M HN 0.524 nan 8.290 nan 0.000 0.408 462 C N 0.745 120.050 119.300 0.008 0.000 2.326 462 C HA -0.236 4.224 4.460 0.000 0.000 0.269 462 C C 2.382 177.374 174.990 0.003 0.000 1.140 462 C CA 1.535 60.556 59.018 0.004 0.000 1.798 462 C CB -1.348 26.392 27.740 -0.000 0.000 2.053 462 C HN 0.546 nan 8.230 nan 0.000 0.438 463 E N -0.126 120.074 120.200 -0.000 0.000 2.478 463 E HA -0.092 4.258 4.350 0.000 0.000 0.198 463 E C 1.449 178.050 176.600 0.003 0.000 1.046 463 E CA 0.590 56.990 56.400 -0.001 0.000 0.870 463 E CB -0.089 29.609 29.700 -0.004 0.000 0.818 463 E HN 0.701 nan 8.360 nan 0.000 0.527 464 N N -1.645 117.060 118.700 0.009 0.000 2.439 464 N HA 0.108 4.848 4.740 0.000 0.000 0.176 464 N C 1.100 176.615 175.510 0.009 0.000 1.029 464 N CA 0.839 53.895 53.050 0.010 0.000 0.886 464 N CB 0.976 39.476 38.487 0.022 0.000 1.057 464 N HN 0.186 nan 8.380 nan 0.000 0.437 465 G N -0.168 108.639 108.800 0.012 0.000 3.031 465 G HA2 -0.267 3.693 3.960 0.000 0.000 0.198 465 G HA3 -0.267 3.693 3.960 0.000 0.000 0.198 465 G C 0.156 175.067 174.900 0.018 0.000 1.242 465 G CA -0.131 44.976 45.100 0.012 0.000 0.878 465 G HN 0.428 nan 8.290 nan 0.000 0.493 466 V N 1.374 121.304 119.914 0.027 0.000 2.501 466 V HA 0.457 4.577 4.120 0.000 0.000 0.225 466 V C 0.478 176.590 176.094 0.030 0.000 1.267 466 V CA 0.128 62.449 62.300 0.035 0.000 1.385 466 V CB -0.851 31.005 31.823 0.055 0.000 1.360 466 V HN 0.776 nan 8.190 nan 0.000 0.489 467 V N 3.812 123.740 119.914 0.023 0.000 2.919 467 V HA 0.604 4.724 4.120 0.000 0.000 0.316 467 V C 0.126 176.230 176.094 0.017 0.000 1.077 467 V CA -0.812 61.500 62.300 0.021 0.000 0.977 467 V CB 2.163 33.996 31.823 0.018 0.000 1.039 467 V HN 0.902 nan 8.190 nan 0.000 0.441 468 E N 2.532 122.741 120.200 0.016 0.000 2.202 468 E HA 0.586 4.936 4.350 0.000 0.000 0.272 468 E C -2.892 173.714 176.600 0.009 0.000 0.951 468 E CA -2.209 54.198 56.400 0.011 0.000 0.813 468 E CB 1.803 31.509 29.700 0.010 0.000 1.151 468 E HN 0.352 nan 8.360 nan 0.000 0.398 469 P HA -0.078 nan 4.420 nan 0.000 0.272 469 P C 0.037 177.340 177.300 0.005 0.000 1.243 469 P CA -0.221 62.882 63.100 0.004 0.000 0.803 469 P CB 0.574 32.275 31.700 0.002 0.000 0.974 470 L N 0.223 121.448 121.223 0.004 0.000 2.808 470 L HA 0.249 4.589 4.340 0.000 0.000 0.246 470 L C 1.893 178.764 176.870 0.001 0.000 1.153 470 L CA 0.330 55.172 54.840 0.003 0.000 0.956 470 L CB -0.016 42.045 42.059 0.004 0.000 1.270 470 L HN 0.339 nan 8.230 nan 0.000 0.528 471 R N -1.127 119.373 120.500 0.000 0.000 2.223 471 R HA -0.006 4.334 4.340 0.000 0.000 0.198 471 R C 1.960 178.259 176.300 -0.001 0.000 0.984 471 R CA 0.384 56.483 56.100 -0.001 0.000 1.018 471 R CB 0.381 30.680 30.300 -0.001 0.000 0.945 471 R HN 0.111 nan 8.270 nan 0.000 0.479 472 V N 1.953 121.867 119.914 -0.001 0.000 2.220 472 V HA -0.406 3.714 4.120 0.000 0.000 0.250 472 V C 2.331 178.425 176.094 -0.001 0.000 1.053 472 V CA 1.893 64.192 62.300 -0.002 0.000 1.019 472 V CB -0.571 31.252 31.823 -0.001 0.000 0.646 472 V HN 0.278 nan 8.190 nan 0.000 0.455 473 K N 0.396 120.796 120.400 0.000 0.000 2.000 473 K HA -0.227 4.093 4.320 0.000 0.000 0.218 473 K C 2.337 178.938 176.600 0.003 0.000 1.053 473 K CA 2.624 58.912 56.287 0.002 0.000 0.946 473 K CB -1.190 31.312 32.500 0.003 0.000 0.723 473 K HN 0.824 nan 8.250 nan 0.000 0.446 474 T N -0.321 114.234 114.554 0.002 0.000 2.701 474 T HA -0.175 4.175 4.350 0.000 0.000 0.263 474 T C 2.076 176.778 174.700 0.004 0.000 1.040 474 T CA 1.307 63.408 62.100 0.002 0.000 1.147 474 T CB -0.402 68.465 68.868 -0.001 0.000 0.865 474 T HN 0.059 nan 8.240 nan 0.000 0.426 475 Q N 1.834 121.635 119.800 0.002 0.000 2.061 475 Q HA 0.057 4.398 4.340 0.000 0.000 0.204 475 Q C 2.479 178.481 176.000 0.004 0.000 0.984 475 Q CA 2.087 57.891 55.803 0.002 0.000 0.846 475 Q CB -1.020 27.717 28.738 -0.001 0.000 0.902 475 Q HN 0.679 nan 8.270 nan 0.000 0.421 476 A N -0.368 122.453 122.820 0.001 0.000 2.015 476 A HA -0.069 4.251 4.320 0.000 0.000 0.219 476 A C 1.903 179.489 177.584 0.003 0.000 1.163 476 A CA 1.174 53.209 52.037 -0.002 0.000 0.646 476 A CB -0.449 18.547 19.000 -0.006 0.000 0.806 476 A HN 0.449 nan 8.150 nan 0.000 0.448 477 I N -1.177 119.402 120.570 0.014 0.000 2.852 477 I HA -0.136 4.034 4.170 0.000 0.000 0.264 477 I C 2.431 178.581 176.117 0.055 0.000 1.179 477 I CA 0.720 62.042 61.300 0.037 0.000 1.480 477 I CB -0.651 37.381 38.000 0.054 0.000 1.111 477 I HN 0.452 nan 8.210 nan 0.000 0.441 478 Q N 1.121 120.942 119.800 0.035 0.000 1.994 478 Q HA -0.127 4.214 4.340 0.000 0.000 0.198 478 Q C 2.415 178.434 176.000 0.032 0.000 0.976 478 Q CA 2.131 57.956 55.803 0.036 0.000 0.828 478 Q CB -0.146 28.604 28.738 0.020 0.000 0.894 478 Q HN 0.484 nan 8.270 nan 0.000 0.432 479 S N 0.358 116.068 115.700 0.018 0.000 2.423 479 S HA -0.026 4.444 4.470 0.000 0.000 0.231 479 S C 1.900 176.505 174.600 0.008 0.000 1.014 479 S CA 0.855 59.062 58.200 0.011 0.000 0.965 479 S CB -0.068 63.135 63.200 0.005 0.000 0.785 479 S HN 0.359 nan 8.310 nan 0.000 0.495 480 A N 0.741 123.564 122.820 0.006 0.000 2.169 480 A HA 0.751 5.071 4.320 0.000 0.000 0.210 480 A C 2.187 179.765 177.584 -0.010 0.000 1.168 480 A CA 0.602 52.634 52.037 -0.009 0.000 0.813 480 A CB -0.635 18.351 19.000 -0.024 0.000 0.861 480 A HN 0.654 nan 8.150 nan 0.000 0.481 481 A N -0.005 122.834 122.820 0.032 0.000 2.021 481 A HA 0.018 4.339 4.320 0.000 0.000 0.216 481 A C 1.701 179.341 177.584 0.093 0.000 1.163 481 A CA 1.196 53.280 52.037 0.079 0.000 0.676 481 A CB -0.179 18.965 19.000 0.239 0.000 0.818 481 A HN 0.507 nan 8.150 nan 0.000 0.453 482 E N -0.781 119.461 120.200 0.070 0.000 2.472 482 E HA 0.043 4.393 4.350 0.000 0.000 0.196 482 E C 1.439 178.059 176.600 0.034 0.000 1.033 482 E CA 0.374 56.810 56.400 0.060 0.000 0.886 482 E CB 0.236 29.968 29.700 0.053 0.000 0.944 482 E HN 0.467 nan 8.360 nan 0.000 0.492 483 S N 0.360 116.071 115.700 0.018 0.000 2.496 483 S HA -0.048 4.422 4.470 0.000 0.000 0.224 483 S C 1.905 176.503 174.600 -0.005 0.000 0.996 483 S CA 1.303 59.506 58.200 0.004 0.000 0.927 483 S CB 0.127 63.325 63.200 -0.003 0.000 0.774 483 S HN 0.381 nan 8.310 nan 0.000 0.524 484 T N -1.762 112.787 114.554 -0.008 0.000 2.971 484 T HA 0.273 4.623 4.350 0.000 0.000 0.252 484 T C 1.288 175.981 174.700 -0.012 0.000 1.022 484 T CA 0.147 62.231 62.100 -0.027 0.000 0.980 484 T CB 0.122 68.954 68.868 -0.061 0.000 1.044 484 T HN 0.439 nan 8.240 nan 0.000 0.501 485 E N 0.264 120.477 120.200 0.023 0.000 2.473 485 E HA 0.117 4.467 4.350 0.000 0.000 0.204 485 E C 1.868 178.503 176.600 0.059 0.000 0.994 485 E CA -0.089 56.351 56.400 0.067 0.000 0.945 485 E CB 0.075 29.855 29.700 0.134 0.000 0.990 485 E HN 0.363 nan 8.360 nan 0.000 0.493 486 M N 1.064 120.686 119.600 0.037 0.000 2.171 486 M HA 0.003 4.483 4.480 0.000 0.000 0.260 486 M C 1.872 178.178 176.300 0.009 0.000 1.087 486 M CA 1.087 56.401 55.300 0.024 0.000 1.154 486 M CB -0.817 31.797 32.600 0.022 0.000 1.331 486 M HN 0.224 nan 8.290 nan 0.000 0.431 487 L N 1.095 122.316 121.223 -0.002 0.000 2.369 487 L HA -0.240 4.101 4.340 0.000 0.000 0.220 487 L C 2.513 179.372 176.870 -0.019 0.000 1.119 487 L CA 0.635 55.465 54.840 -0.017 0.000 0.780 487 L CB -0.764 41.278 42.059 -0.029 0.000 0.906 487 L HN 0.471 nan 8.230 nan 0.000 0.442 488 L N -0.237 120.982 121.223 -0.007 0.000 2.179 488 L HA -0.144 4.197 4.340 0.000 0.000 0.208 488 L C 2.292 179.159 176.870 -0.005 0.000 1.096 488 L CA 0.989 55.827 54.840 -0.003 0.000 0.779 488 L CB -0.299 41.771 42.059 0.018 0.000 0.922 488 L HN 0.299 nan 8.230 nan 0.000 0.443 489 R N 0.507 121.009 120.500 0.003 0.000 2.572 489 R HA -0.292 4.048 4.340 0.000 0.000 0.187 489 R C 1.077 177.377 176.300 0.000 0.000 0.912 489 R CA 2.060 58.161 56.100 0.002 0.000 0.473 489 R CB -1.547 28.759 30.300 0.010 0.000 0.727 489 R HN 0.245 nan 8.270 nan 0.000 0.296 490 I N 3.395 123.966 120.570 0.001 0.000 3.015 490 I HA -0.137 4.034 4.170 0.000 0.000 0.309 490 I C 0.245 176.368 176.117 0.011 0.000 1.229 490 I CA 0.797 62.101 61.300 0.007 0.000 1.430 490 I CB -0.003 37.994 38.000 -0.005 0.000 1.347 490 I HN 0.577 nan 8.210 nan 0.000 0.544 491 D N 4.754 125.169 120.400 0.025 0.000 2.895 491 D HA 0.249 4.889 4.640 0.000 0.000 0.350 491 D C -0.703 175.629 176.300 0.054 0.000 1.389 491 D CA -0.396 53.625 54.000 0.036 0.000 0.812 491 D CB 0.316 41.139 40.800 0.038 0.000 1.164 491 D HN 0.494 nan 8.370 nan 0.000 0.455 492 D N -0.283 120.148 120.400 0.052 0.000 2.871 492 D HA 0.330 4.970 4.640 0.000 0.000 0.209 492 D C -1.682 174.654 176.300 0.059 0.000 1.292 492 D CA -0.563 53.474 54.000 0.061 0.000 0.869 492 D CB 2.054 42.880 40.800 0.043 0.000 1.663 492 D HN -0.100 nan 8.370 nan 0.000 0.557 493 V N 4.203 124.172 119.914 0.091 0.000 2.443 493 V HA 0.468 4.588 4.120 0.000 0.000 0.293 493 V C 0.137 176.258 176.094 0.045 0.000 1.021 493 V CA -0.736 61.616 62.300 0.087 0.000 0.848 493 V CB 1.508 33.421 31.823 0.149 0.000 0.998 493 V HN 0.562 nan 8.190 nan 0.000 0.424 494 I N 4.483 125.062 120.570 0.015 0.000 2.307 494 I HA 0.716 4.886 4.170 0.000 0.000 0.287 494 I C 0.551 176.670 176.117 0.003 0.000 1.054 494 I CA -0.013 61.278 61.300 -0.015 0.000 1.218 494 I CB 1.096 39.087 38.000 -0.015 0.000 1.398 494 I HN 0.759 nan 8.210 nan 0.000 0.475 495 A N 5.353 128.169 122.820 -0.007 0.000 2.389 495 A HA 1.056 5.376 4.320 0.000 0.000 0.293 495 A C -0.480 177.103 177.584 -0.002 0.000 1.186 495 A CA -0.336 51.710 52.037 0.015 0.000 0.828 495 A CB 1.987 21.021 19.000 0.056 0.000 1.369 495 A HN 0.877 nan 8.150 nan 0.000 0.446 496 A N -1.100 121.727 122.820 0.012 0.000 2.437 496 A HA 0.624 4.944 4.320 0.000 0.000 0.296 496 A C -0.684 176.911 177.584 0.019 0.000 0.974 496 A CA 0.367 52.410 52.037 0.010 0.000 0.592 496 A CB -0.170 18.833 19.000 0.006 0.000 1.405 496 A HN 2.125 nan 8.150 nan 0.000 0.478 497 E N 0.000 120.208 120.200 0.014 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.409 56.400 0.015 0.000 0.976 497 E CB 0.000 29.706 29.700 0.010 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440