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 1b3u_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAADGDDSLY PIAVLIDELR NEDVQLRLNS IKKLSTIALA LGVERTRSEL DATA SEQUENCE LPFLTDTIYD EDEVLLALAE QLGTFTTLVG GPEYVHCLLP PLESLATVEE DATA SEQUENCE TVVRDKAVES LRAISHEHSP SDLEAHFVPL VKRLAGGDWF TSRTSACGLF DATA SEQUENCE SVCYPRVSSA VKAELRQYFR NLCSDDTPMV RRAAASKLGE FAKVLELDNV DATA SEQUENCE KSEIIPMFSN LASDEQDSVR LLAVEACVNI AQLLPQEDLE ALVMPTLRQA DATA SEQUENCE AEDKSWRVRY MVADKFTELQ KAVGPEITKT DLVPAFQNLM KDCEAEVRAA DATA SEQUENCE ASHKVKEFCE NLSADCRENV IMSQILPCIK ELVSDANQHV KSALASVIMG DATA SEQUENCE LSPILGKDNT IEHLLPLFLA QLKDECPEVR LNIISNLDCV NEVIGIRQLS DATA SEQUENCE QSLLPAIVEL AEDAKWRVRL AIIEYMPLLA GQLGVEFFDE KLNSLCMAWL DATA SEQUENCE VDHVYAIREA ATSNLKKLVE KFGKEWAHAT IIPKVLAMSG DPNYLHRMTT DATA SEQUENCE LFCINVLSEV CGQDITTKHM LPTVLRMAGD PVANVRFNVA KSLQKIGPIL DATA SEQUENCE DNSTLQSEVK PILEKLTQDQ DVDVKYFAQE ALTVLSLA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.011 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 1 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 2 A N 0.490 123.305 122.820 -0.009 0.000 1.969 2 A HA 0.421 4.740 4.320 -0.001 0.000 0.218 2 A C 1.644 179.222 177.584 -0.009 0.000 1.169 2 A CA 1.569 53.601 52.037 -0.008 0.000 0.635 2 A CB -0.552 18.444 19.000 -0.006 0.000 0.810 2 A HN 1.696 nan 8.150 nan 0.000 0.445 3 A N 0.180 122.994 122.820 -0.010 0.000 3.048 3 A HA 0.414 4.734 4.320 -0.001 0.000 0.264 3 A C -0.168 177.408 177.584 -0.013 0.000 1.796 3 A CA 0.086 52.116 52.037 -0.012 0.000 1.445 3 A CB -0.440 18.553 19.000 -0.013 0.000 1.074 3 A HN 0.325 nan 8.150 nan 0.000 0.621 4 D N 0.212 120.605 120.400 -0.011 0.000 2.969 4 D HA 0.055 4.695 4.640 -0.001 0.000 0.317 4 D C 1.418 177.713 176.300 -0.008 0.000 1.650 4 D CA 0.612 54.607 54.000 -0.009 0.000 0.789 4 D CB 0.241 41.039 40.800 -0.003 0.000 1.277 4 D HN 0.466 nan 8.370 nan 0.000 0.463 5 G N 0.976 109.769 108.800 -0.012 0.000 2.421 5 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.216 5 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.216 5 G C 1.097 175.988 174.900 -0.014 0.000 1.171 5 G CA 0.784 45.877 45.100 -0.011 0.000 0.775 5 G HN 0.096 nan 8.290 nan 0.000 0.543 6 D N 0.165 120.550 120.400 -0.026 0.000 2.363 6 D HA 0.141 4.780 4.640 -0.001 0.000 0.226 6 D C 1.297 177.570 176.300 -0.045 0.000 1.020 6 D CA 0.612 54.586 54.000 -0.042 0.000 0.892 6 D CB 0.269 41.031 40.800 -0.064 0.000 0.900 6 D HN 0.351 nan 8.370 nan 0.000 0.531 7 D N -1.095 119.296 120.400 -0.015 0.000 2.805 7 D HA -0.002 4.638 4.640 -0.001 0.000 0.271 7 D C 1.687 178.019 176.300 0.053 0.000 1.166 7 D CA 1.447 55.463 54.000 0.027 0.000 1.004 7 D CB -0.192 40.623 40.800 0.025 0.000 1.136 7 D HN 0.020 nan 8.370 nan 0.000 0.444 8 S N 0.052 115.767 115.700 0.025 0.000 3.379 8 S HA -0.349 4.120 4.470 -0.001 0.000 0.389 8 S C 0.575 175.186 174.600 0.018 0.000 1.477 8 S CA 1.781 59.991 58.200 0.017 0.000 3.394 8 S CB -1.240 61.969 63.200 0.015 0.000 1.624 8 S HN 0.276 nan 8.310 nan 0.000 0.489 9 L N -0.446 120.796 121.223 0.032 0.000 2.869 9 L HA 0.408 4.748 4.340 -0.001 0.000 0.320 9 L C 0.769 177.650 176.870 0.020 0.000 1.306 9 L CA -0.090 54.751 54.840 0.002 0.000 0.731 9 L CB 0.391 42.429 42.059 -0.036 0.000 1.123 9 L HN 0.441 nan 8.230 nan 0.000 0.553 10 Y N 3.486 123.757 120.300 -0.049 0.000 2.114 10 Y HA -0.050 4.499 4.550 -0.001 0.000 0.284 10 Y C -0.539 175.328 175.900 -0.054 0.000 1.143 10 Y CA 1.721 59.793 58.100 -0.046 0.000 1.135 10 Y CB -0.886 37.553 38.460 -0.034 0.000 0.980 10 Y HN 0.192 nan 8.280 nan 0.000 0.499 11 P HA -0.214 nan 4.420 nan 0.000 0.217 11 P C 1.755 178.892 177.300 -0.272 0.000 1.148 11 P CA 1.758 64.686 63.100 -0.287 0.000 0.828 11 P CB -0.175 31.467 31.700 -0.097 0.000 0.783 12 I N 0.395 120.830 120.570 -0.224 0.000 2.226 12 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 12 I C 2.606 178.542 176.117 -0.302 0.000 1.100 12 I CA 1.420 62.553 61.300 -0.279 0.000 1.374 12 I CB -1.850 35.980 38.000 -0.283 0.000 1.057 12 I HN -0.052 nan 8.210 nan 0.000 0.413 13 A N 0.816 123.474 122.820 -0.271 0.000 1.883 13 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 13 A C 2.544 179.971 177.584 -0.262 0.000 1.186 13 A CA 2.038 53.935 52.037 -0.234 0.000 0.624 13 A CB -1.022 17.870 19.000 -0.181 0.000 0.822 13 A HN 0.242 nan 8.150 nan 0.000 0.444 14 V N -0.105 119.574 119.914 -0.393 0.000 2.255 14 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 14 V C 2.499 178.480 176.094 -0.188 0.000 1.051 14 V CA 2.093 64.203 62.300 -0.316 0.000 1.018 14 V CB -0.997 30.597 31.823 -0.382 0.000 0.641 14 V HN 0.608 nan 8.190 nan 0.000 0.445 15 L N 0.197 121.308 121.223 -0.188 0.000 1.970 15 L HA -0.182 4.158 4.340 -0.001 0.000 0.212 15 L C 2.247 179.059 176.870 -0.097 0.000 1.071 15 L CA 1.986 56.751 54.840 -0.124 0.000 0.751 15 L CB -0.675 41.302 42.059 -0.138 0.000 0.889 15 L HN 0.239 nan 8.230 nan 0.000 0.432 16 I N -0.220 120.259 120.570 -0.151 0.000 2.185 16 I HA -0.360 3.809 4.170 -0.001 0.000 0.246 16 I C 2.226 178.327 176.117 -0.028 0.000 1.088 16 I CA 1.607 62.858 61.300 -0.080 0.000 1.347 16 I CB -0.673 37.249 38.000 -0.130 0.000 1.041 16 I HN 0.420 nan 8.210 nan 0.000 0.415 17 D N 0.902 121.269 120.400 -0.056 0.000 2.077 17 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 17 D C 2.037 178.328 176.300 -0.015 0.000 0.989 17 D CA 1.901 55.883 54.000 -0.031 0.000 0.831 17 D CB -0.309 40.463 40.800 -0.048 0.000 0.979 17 D HN 0.573 nan 8.370 nan 0.000 0.449 18 E N 0.887 121.071 120.200 -0.026 0.000 2.160 18 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 18 E C 2.303 178.900 176.600 -0.005 0.000 0.991 18 E CA 0.684 57.075 56.400 -0.015 0.000 0.810 18 E CB -0.551 29.136 29.700 -0.021 0.000 0.742 18 E HN 0.304 nan 8.360 nan 0.000 0.466 19 L N 0.465 121.689 121.223 0.001 0.000 2.551 19 L HA 0.022 4.361 4.340 -0.001 0.000 0.228 19 L C 2.643 179.526 176.870 0.023 0.000 1.153 19 L CA 0.408 55.250 54.840 0.003 0.000 0.851 19 L CB -0.210 41.866 42.059 0.028 0.000 0.959 19 L HN 0.105 nan 8.230 nan 0.000 0.451 20 R N 0.055 120.576 120.500 0.035 0.000 2.317 20 R HA 0.013 4.353 4.340 -0.001 0.000 0.208 20 R C 0.965 177.291 176.300 0.043 0.000 0.914 20 R CA -0.174 55.960 56.100 0.056 0.000 1.060 20 R CB 0.208 30.536 30.300 0.047 0.000 1.015 20 R HN 0.282 nan 8.270 nan 0.000 0.498 21 N N 0.951 119.666 118.700 0.025 0.000 2.326 21 N HA -0.076 4.664 4.740 -0.001 0.000 0.239 21 N C -0.068 175.458 175.510 0.027 0.000 1.301 21 N CA 0.519 53.581 53.050 0.020 0.000 0.909 21 N CB 1.135 39.627 38.487 0.009 0.000 1.156 21 N HN 0.114 nan 8.380 nan 0.000 0.462 22 E N -0.573 119.641 120.200 0.023 0.000 2.389 22 E HA 0.030 4.380 4.350 -0.001 0.000 0.199 22 E C -0.629 175.982 176.600 0.018 0.000 0.978 22 E CA 0.069 56.485 56.400 0.027 0.000 0.912 22 E CB 0.162 29.877 29.700 0.025 0.000 0.907 22 E HN 0.535 nan 8.360 nan 0.000 0.494 23 D N 0.544 120.951 120.400 0.012 0.000 2.374 23 D HA 0.022 4.662 4.640 -0.001 0.000 0.240 23 D C 0.978 177.279 176.300 0.001 0.000 1.229 23 D CA -0.058 53.946 54.000 0.007 0.000 0.895 23 D CB 0.859 41.662 40.800 0.006 0.000 1.046 23 D HN -0.214 nan 8.370 nan 0.000 0.498 24 V N 3.568 123.482 119.914 0.000 0.000 2.231 24 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 24 V C 2.344 178.432 176.094 -0.010 0.000 1.054 24 V CA 1.967 64.262 62.300 -0.009 0.000 1.015 24 V CB -0.857 30.962 31.823 -0.007 0.000 0.638 24 V HN 0.611 nan 8.190 nan 0.000 0.444 25 Q N -0.618 119.179 119.800 -0.004 0.000 2.389 25 Q HA -0.225 4.114 4.340 -0.001 0.000 0.213 25 Q C 1.688 177.685 176.000 -0.003 0.000 0.989 25 Q CA 1.740 57.541 55.803 -0.003 0.000 0.891 25 Q CB -0.370 28.368 28.738 0.000 0.000 0.923 25 Q HN 0.605 nan 8.270 nan 0.000 0.455 26 L N -0.886 120.334 121.223 -0.004 0.000 2.316 26 L HA 0.170 4.509 4.340 -0.001 0.000 0.207 26 L C 1.780 178.645 176.870 -0.008 0.000 1.070 26 L CA 1.179 56.017 54.840 -0.004 0.000 0.820 26 L CB -0.182 41.876 42.059 -0.001 0.000 0.992 26 L HN 0.029 nan 8.230 nan 0.000 0.466 27 R N -0.521 119.971 120.500 -0.013 0.000 2.148 27 R HA -0.107 4.233 4.340 -0.001 0.000 0.227 27 R C 2.169 178.455 176.300 -0.023 0.000 1.103 27 R CA 1.356 57.443 56.100 -0.022 0.000 0.983 27 R CB -0.521 29.758 30.300 -0.036 0.000 0.874 27 R HN 0.393 nan 8.270 nan 0.000 0.451 28 L N 1.387 122.598 121.223 -0.020 0.000 2.017 28 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 28 L C 1.545 178.411 176.870 -0.007 0.000 1.073 28 L CA 1.484 56.314 54.840 -0.017 0.000 0.745 28 L CB -0.260 41.791 42.059 -0.012 0.000 0.894 28 L HN 0.217 nan 8.230 nan 0.000 0.432 29 N N -0.588 118.110 118.700 -0.003 0.000 2.289 29 N HA -0.192 4.548 4.740 -0.001 0.000 0.184 29 N C 1.930 177.443 175.510 0.005 0.000 1.016 29 N CA 1.408 54.460 53.050 0.003 0.000 0.872 29 N CB -0.184 38.305 38.487 0.002 0.000 0.973 29 N HN 0.357 nan 8.380 nan 0.000 0.433 30 S N 1.148 116.848 115.700 -0.000 0.000 2.348 30 S HA -0.035 4.435 4.470 -0.001 0.000 0.221 30 S C 1.907 176.514 174.600 0.012 0.000 1.033 30 S CA 0.513 58.714 58.200 0.001 0.000 1.010 30 S CB -0.053 63.143 63.200 -0.007 0.000 0.891 30 S HN 0.056 nan 8.310 nan 0.000 0.442 31 I N 2.047 122.619 120.570 0.005 0.000 2.264 31 I HA -0.142 4.027 4.170 -0.001 0.000 0.248 31 I C 2.289 178.427 176.117 0.034 0.000 1.111 31 I CA 1.467 62.772 61.300 0.009 0.000 1.382 31 I CB -1.264 36.727 38.000 -0.016 0.000 1.060 31 I HN 0.406 nan 8.210 nan 0.000 0.418 32 K N 0.795 121.213 120.400 0.030 0.000 2.147 32 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 32 K C 1.741 178.377 176.600 0.060 0.000 1.049 32 K CA 1.000 57.313 56.287 0.044 0.000 0.936 32 K CB -0.066 32.451 32.500 0.028 0.000 0.722 32 K HN 0.359 nan 8.250 nan 0.000 0.446 33 K N 0.666 121.095 120.400 0.048 0.000 2.444 33 K HA 0.023 4.342 4.320 -0.001 0.000 0.193 33 K C 1.532 178.176 176.600 0.073 0.000 1.024 33 K CA -0.114 56.200 56.287 0.045 0.000 1.077 33 K CB 0.097 32.611 32.500 0.022 0.000 0.833 33 K HN -0.032 nan 8.250 nan 0.000 0.517 34 L N 1.965 123.257 121.223 0.115 0.000 2.151 34 L HA -0.373 3.966 4.340 -0.001 0.000 0.219 34 L C 2.119 179.141 176.870 0.252 0.000 1.083 34 L CA 2.172 57.126 54.840 0.190 0.000 0.782 34 L CB -0.832 41.364 42.059 0.228 0.000 0.891 34 L HN 0.262 nan 8.230 nan 0.000 0.439 35 S N -2.146 113.666 115.700 0.185 0.000 2.359 35 S HA -0.268 4.202 4.470 -0.001 0.000 0.224 35 S C 2.051 176.622 174.600 -0.047 0.000 1.035 35 S CA 1.806 59.974 58.200 -0.053 0.000 1.018 35 S CB -1.705 61.410 63.200 -0.142 0.000 0.876 35 S HN 0.718 nan 8.310 nan 0.000 0.448 36 T N 1.316 115.864 114.554 -0.010 0.000 2.699 36 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 36 T C 1.690 176.382 174.700 -0.013 0.000 1.036 36 T CA 1.565 63.656 62.100 -0.016 0.000 1.147 36 T CB -0.920 67.945 68.868 -0.005 0.000 0.862 36 T HN 0.306 nan 8.240 nan 0.000 0.446 37 I N 2.845 123.418 120.570 0.006 0.000 2.179 37 I HA 0.006 4.176 4.170 -0.001 0.000 0.242 37 I C 3.148 179.267 176.117 0.004 0.000 1.088 37 I CA 1.217 62.516 61.300 -0.001 0.000 1.357 37 I CB -1.127 36.879 38.000 0.011 0.000 1.051 37 I HN 0.403 nan 8.210 nan 0.000 0.409 38 A N 0.237 123.072 122.820 0.024 0.000 1.940 38 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 38 A C 2.213 179.765 177.584 -0.053 0.000 1.176 38 A CA 1.362 53.398 52.037 -0.003 0.000 0.631 38 A CB -0.693 18.267 19.000 -0.067 0.000 0.814 38 A HN 0.305 nan 8.150 nan 0.000 0.446 39 L N -0.662 120.521 121.223 -0.066 0.000 1.988 39 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 39 L C 3.095 179.945 176.870 -0.033 0.000 1.071 39 L CA 2.116 56.920 54.840 -0.060 0.000 0.744 39 L CB -1.842 40.183 42.059 -0.058 0.000 0.893 39 L HN 0.440 nan 8.230 nan 0.000 0.433 40 A N -0.564 122.245 122.820 -0.018 0.000 1.997 40 A HA -0.193 4.127 4.320 -0.001 0.000 0.221 40 A C 1.341 178.926 177.584 0.002 0.000 1.172 40 A CA 1.088 53.127 52.037 0.002 0.000 0.645 40 A CB -0.658 18.352 19.000 0.015 0.000 0.813 40 A HN 0.265 nan 8.150 nan 0.000 0.454 41 L N -1.142 120.075 121.223 -0.010 0.000 2.379 41 L HA 0.619 4.958 4.340 -0.001 0.000 0.269 41 L C 0.968 177.823 176.870 -0.026 0.000 1.084 41 L CA 0.234 55.066 54.840 -0.013 0.000 0.802 41 L CB 0.969 43.020 42.059 -0.013 0.000 1.175 41 L HN 0.201 nan 8.230 nan 0.000 0.448 42 G N 1.431 110.214 108.800 -0.029 0.000 2.651 42 G HA2 0.367 4.327 3.960 -0.001 0.000 0.260 42 G HA3 0.367 4.327 3.960 -0.001 0.000 0.260 42 G C 0.897 175.760 174.900 -0.061 0.000 1.216 42 G CA 0.010 45.084 45.100 -0.045 0.000 0.913 42 G HN 0.877 nan 8.290 nan 0.000 0.535 43 V N -2.218 117.645 119.914 -0.085 0.000 2.719 43 V HA 0.016 4.135 4.120 -0.001 0.000 0.252 43 V C 2.039 178.040 176.094 -0.157 0.000 1.065 43 V CA 2.211 64.439 62.300 -0.120 0.000 1.086 43 V CB -0.578 31.156 31.823 -0.148 0.000 0.700 43 V HN 0.821 nan 8.190 nan 0.000 0.467 44 E N 0.728 120.845 120.200 -0.139 0.000 2.107 44 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 44 E C 2.392 178.940 176.600 -0.087 0.000 0.982 44 E CA 0.915 57.232 56.400 -0.138 0.000 0.809 44 E CB 0.012 29.652 29.700 -0.100 0.000 0.756 44 E HN 0.594 nan 8.360 nan 0.000 0.459 45 R N -0.454 120.010 120.500 -0.060 0.000 2.200 45 R HA 0.042 4.381 4.340 -0.001 0.000 0.208 45 R C 2.226 178.511 176.300 -0.026 0.000 1.033 45 R CA 1.114 57.193 56.100 -0.036 0.000 1.000 45 R CB 0.032 30.316 30.300 -0.026 0.000 0.906 45 R HN 0.106 nan 8.270 nan 0.000 0.462 46 T N 0.807 115.344 114.554 -0.028 0.000 2.777 46 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 46 T C 1.787 176.492 174.700 0.008 0.000 1.040 46 T CA 1.134 63.238 62.100 0.006 0.000 1.141 46 T CB -0.019 68.860 68.868 0.018 0.000 0.868 46 T HN 0.240 nan 8.240 nan 0.000 0.444 47 R N 1.082 121.560 120.500 -0.036 0.000 2.061 47 R HA -0.072 4.267 4.340 -0.001 0.000 0.230 47 R C 3.002 179.293 176.300 -0.016 0.000 1.140 47 R CA 1.820 57.895 56.100 -0.042 0.000 0.940 47 R CB -0.423 29.813 30.300 -0.107 0.000 0.839 47 R HN 0.468 nan 8.270 nan 0.000 0.429 48 S N 0.153 115.841 115.700 -0.020 0.000 2.428 48 S HA -0.035 4.434 4.470 -0.001 0.000 0.230 48 S C 1.447 176.056 174.600 0.014 0.000 1.014 48 S CA 0.810 59.010 58.200 -0.001 0.000 0.957 48 S CB 0.164 63.360 63.200 -0.007 0.000 0.784 48 S HN 0.223 nan 8.310 nan 0.000 0.499 49 E N 0.115 120.323 120.200 0.013 0.000 2.367 49 E HA 0.299 4.649 4.350 -0.001 0.000 0.204 49 E C 1.733 178.360 176.600 0.046 0.000 0.840 49 E CA 0.086 56.498 56.400 0.021 0.000 1.051 49 E CB -0.502 29.193 29.700 -0.009 0.000 1.051 49 E HN 0.413 nan 8.360 nan 0.000 0.509 50 L N 1.200 122.449 121.223 0.044 0.000 2.068 50 L HA 0.053 4.393 4.340 -0.001 0.000 0.204 50 L C 2.161 179.115 176.870 0.139 0.000 1.076 50 L CA 1.249 56.139 54.840 0.084 0.000 0.753 50 L CB -0.513 41.589 42.059 0.071 0.000 0.910 50 L HN 0.010 nan 8.230 nan 0.000 0.439 51 L N -0.204 121.066 121.223 0.078 0.000 1.955 51 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 51 L C -0.008 176.890 176.870 0.047 0.000 1.072 51 L CA 1.566 56.432 54.840 0.043 0.000 0.755 51 L CB -2.181 39.887 42.059 0.014 0.000 0.888 51 L HN 0.190 nan 8.230 nan 0.000 0.432 52 P HA -0.257 nan 4.420 nan 0.000 0.217 52 P C 1.554 178.886 177.300 0.054 0.000 1.151 52 P CA 1.611 64.737 63.100 0.045 0.000 0.849 52 P CB -0.108 31.625 31.700 0.056 0.000 0.787 53 F N 0.188 120.123 119.950 -0.025 0.000 2.102 53 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 53 F C 1.823 177.601 175.800 -0.036 0.000 1.105 53 F CA 1.510 59.495 58.000 -0.025 0.000 1.239 53 F CB -0.887 38.099 39.000 -0.024 0.000 0.991 53 F HN -0.251 nan 8.300 nan 0.000 0.474 54 L N -0.539 120.633 121.223 -0.084 0.000 2.465 54 L HA -0.125 4.215 4.340 -0.001 0.000 0.224 54 L C 2.011 178.760 176.870 -0.203 0.000 1.145 54 L CA 1.152 55.875 54.840 -0.194 0.000 0.834 54 L CB -0.994 41.029 42.059 -0.060 0.000 0.944 54 L HN 0.170 nan 8.230 nan 0.000 0.451 55 T N -0.570 113.893 114.554 -0.151 0.000 2.978 55 T HA -0.070 4.279 4.350 -0.001 0.000 0.262 55 T C 1.132 175.750 174.700 -0.137 0.000 1.063 55 T CA 1.527 63.554 62.100 -0.120 0.000 1.140 55 T CB -0.002 68.824 68.868 -0.070 0.000 0.886 55 T HN 0.591 nan 8.240 nan 0.000 0.470 56 D N -0.723 119.576 120.400 -0.170 0.000 2.403 56 D HA 0.061 4.700 4.640 -0.001 0.000 0.280 56 D C 1.748 177.937 176.300 -0.185 0.000 1.091 56 D CA 0.236 54.147 54.000 -0.147 0.000 0.884 56 D CB -0.627 40.116 40.800 -0.096 0.000 1.427 56 D HN 0.100 nan 8.370 nan 0.000 0.504 57 T N 1.063 115.430 114.554 -0.312 0.000 2.770 57 T HA 0.112 4.461 4.350 -0.001 0.000 0.263 57 T C 1.124 175.658 174.700 -0.277 0.000 1.039 57 T CA 0.362 62.260 62.100 -0.335 0.000 1.142 57 T CB -0.319 68.183 68.868 -0.609 0.000 0.868 57 T HN 0.148 nan 8.240 nan 0.000 0.435 58 I N 2.177 122.500 120.570 -0.411 0.000 2.845 58 I HA -0.093 4.077 4.170 -0.001 0.000 0.296 58 I C 1.161 177.210 176.117 -0.114 0.000 1.216 58 I CA 0.472 61.604 61.300 -0.280 0.000 1.438 58 I CB 0.266 38.091 38.000 -0.291 0.000 1.342 58 I HN 0.413 nan 8.210 nan 0.000 0.577 59 Y N 2.437 122.663 120.300 -0.123 0.000 2.476 59 Y HA 0.282 4.832 4.550 -0.001 0.000 0.274 59 Y C 0.839 176.698 175.900 -0.069 0.000 1.120 59 Y CA -0.707 57.337 58.100 -0.093 0.000 1.214 59 Y CB -0.494 37.920 38.460 -0.077 0.000 1.285 59 Y HN 0.480 nan 8.280 nan 0.000 0.520 60 D N 2.315 122.199 120.400 -0.860 0.000 2.128 60 D HA -0.172 4.468 4.640 -0.001 0.000 0.214 60 D C 0.133 176.340 176.300 -0.155 0.000 1.396 60 D CA 1.359 55.031 54.000 -0.546 0.000 0.868 60 D CB 0.616 41.150 40.800 -0.442 0.000 1.340 60 D HN 0.418 nan 8.370 nan 0.000 0.585 61 E N 0.211 120.348 120.200 -0.105 0.000 2.391 61 E HA -0.012 4.337 4.350 -0.001 0.000 0.255 61 E C 0.851 177.422 176.600 -0.048 0.000 1.187 61 E CA -0.208 56.168 56.400 -0.041 0.000 0.941 61 E CB 0.363 30.048 29.700 -0.025 0.000 1.010 61 E HN 0.323 nan 8.360 nan 0.000 0.458 62 D N 0.942 121.325 120.400 -0.027 0.000 2.178 62 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 62 D C 1.428 177.711 176.300 -0.029 0.000 0.980 62 D CA 0.964 54.947 54.000 -0.027 0.000 0.842 62 D CB 0.189 40.981 40.800 -0.013 0.000 0.948 62 D HN 0.488 nan 8.370 nan 0.000 0.472 63 E N 0.278 120.463 120.200 -0.025 0.000 2.153 63 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 63 E C 2.116 178.698 176.600 -0.031 0.000 0.988 63 E CA 0.382 56.769 56.400 -0.021 0.000 0.811 63 E CB 0.373 30.064 29.700 -0.015 0.000 0.746 63 E HN 0.077 nan 8.360 nan 0.000 0.466 64 V N 1.096 120.981 119.914 -0.048 0.000 2.302 64 V HA -0.231 3.889 4.120 -0.001 0.000 0.243 64 V C 2.352 178.406 176.094 -0.067 0.000 1.036 64 V CA 1.154 63.417 62.300 -0.062 0.000 1.020 64 V CB -0.449 31.319 31.823 -0.092 0.000 0.657 64 V HN 0.276 nan 8.190 nan 0.000 0.453 65 L N -0.440 120.738 121.223 -0.074 0.000 2.043 65 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 65 L C 2.520 179.355 176.870 -0.058 0.000 1.075 65 L CA 1.339 56.134 54.840 -0.076 0.000 0.752 65 L CB -0.803 41.213 42.059 -0.072 0.000 0.891 65 L HN 0.331 nan 8.230 nan 0.000 0.432 66 L N 0.397 121.595 121.223 -0.042 0.000 2.012 66 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 66 L C 2.659 179.514 176.870 -0.025 0.000 1.073 66 L CA 2.093 56.917 54.840 -0.027 0.000 0.748 66 L CB -0.728 41.321 42.059 -0.016 0.000 0.891 66 L HN 0.170 nan 8.230 nan 0.000 0.431 67 A N -1.094 121.710 122.820 -0.027 0.000 1.969 67 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 67 A C 2.188 179.752 177.584 -0.034 0.000 1.169 67 A CA 1.694 53.719 52.037 -0.020 0.000 0.635 67 A CB -0.840 18.150 19.000 -0.018 0.000 0.810 67 A HN 0.483 nan 8.150 nan 0.000 0.445 68 L N -0.335 120.853 121.223 -0.058 0.000 2.044 68 L HA 0.065 4.405 4.340 -0.001 0.000 0.205 68 L C 2.597 179.408 176.870 -0.098 0.000 1.075 68 L CA 2.110 56.895 54.840 -0.092 0.000 0.747 68 L CB -0.879 41.116 42.059 -0.107 0.000 0.903 68 L HN 0.294 nan 8.230 nan 0.000 0.435 69 A N -0.614 122.164 122.820 -0.070 0.000 1.908 69 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 69 A C 2.348 179.913 177.584 -0.032 0.000 1.181 69 A CA 1.949 53.954 52.037 -0.054 0.000 0.627 69 A CB -0.805 18.174 19.000 -0.036 0.000 0.818 69 A HN 0.656 nan 8.150 nan 0.000 0.445 70 E N -0.993 119.197 120.200 -0.017 0.000 2.072 70 E HA -0.279 4.071 4.350 -0.001 0.000 0.191 70 E C 2.174 178.789 176.600 0.025 0.000 0.985 70 E CA 1.422 57.828 56.400 0.011 0.000 0.801 70 E CB -0.130 29.579 29.700 0.017 0.000 0.750 70 E HN 0.591 nan 8.360 nan 0.000 0.452 71 Q N 0.729 120.529 119.800 -0.000 0.000 2.030 71 Q HA -0.114 4.225 4.340 -0.001 0.000 0.204 71 Q C 2.218 178.213 176.000 -0.007 0.000 0.986 71 Q CA 1.608 57.429 55.803 0.029 0.000 0.843 71 Q CB -0.278 28.428 28.738 -0.054 0.000 0.904 71 Q HN 0.383 nan 8.270 nan 0.000 0.420 72 L N -0.770 120.341 121.223 -0.187 0.000 2.349 72 L HA -0.088 4.251 4.340 -0.001 0.000 0.220 72 L C 1.990 178.882 176.870 0.037 0.000 1.130 72 L CA 0.866 55.586 54.840 -0.199 0.000 0.791 72 L CB -0.673 41.269 42.059 -0.195 0.000 0.918 72 L HN 0.345 nan 8.230 nan 0.000 0.444 73 G N -0.692 108.149 108.800 0.068 0.000 2.744 73 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.211 73 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.211 73 G C 1.060 176.046 174.900 0.143 0.000 1.143 73 G CA 0.910 46.071 45.100 0.101 0.000 0.788 73 G HN 0.439 nan 8.290 nan 0.000 0.534 74 T N -3.833 110.849 114.554 0.213 0.000 3.448 74 T HA 0.428 4.778 4.350 -0.001 0.000 0.271 74 T C 0.254 175.123 174.700 0.282 0.000 1.002 74 T CA -0.574 61.649 62.100 0.204 0.000 0.995 74 T CB -0.255 68.707 68.868 0.156 0.000 1.153 74 T HN -0.055 nan 8.240 nan 0.000 0.510 75 F N 0.761 120.724 119.950 0.022 0.000 2.706 75 F HA 0.319 4.845 4.527 -0.001 0.000 0.313 75 F C 2.100 177.907 175.800 0.011 0.000 1.096 75 F CA -0.652 57.356 58.000 0.012 0.000 1.219 75 F CB 0.378 39.383 39.000 0.008 0.000 1.051 75 F HN 0.174 nan 8.300 nan 0.000 0.568 76 T N -0.792 113.851 114.554 0.148 0.000 2.607 76 T HA -0.294 4.056 4.350 -0.001 0.000 0.267 76 T C 2.291 177.016 174.700 0.042 0.000 1.049 76 T CA 2.502 64.657 62.100 0.092 0.000 1.162 76 T CB -0.548 68.368 68.868 0.081 0.000 0.863 76 T HN 0.322 nan 8.240 nan 0.000 0.424 77 T N 1.298 115.854 114.554 0.004 0.000 2.708 77 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 77 T C 1.765 176.425 174.700 -0.067 0.000 1.037 77 T CA 0.824 62.908 62.100 -0.025 0.000 1.146 77 T CB -0.511 68.333 68.868 -0.040 0.000 0.865 77 T HN 0.109 nan 8.240 nan 0.000 0.435 78 L N 0.978 122.115 121.223 -0.144 0.000 2.651 78 L HA 0.194 4.534 4.340 -0.001 0.000 0.236 78 L C 1.791 178.588 176.870 -0.122 0.000 1.173 78 L CA 0.938 55.641 54.840 -0.229 0.000 0.843 78 L CB -0.418 41.294 42.059 -0.578 0.000 0.964 78 L HN 0.307 nan 8.230 nan 0.000 0.454 79 V N -1.904 117.985 119.914 -0.043 0.000 3.330 79 V HA 0.470 4.590 4.120 -0.001 0.000 0.309 79 V C 1.216 177.258 176.094 -0.087 0.000 1.481 79 V CA 0.625 62.910 62.300 -0.026 0.000 1.068 79 V CB 0.464 32.322 31.823 0.058 0.000 0.935 79 V HN 0.502 nan 8.190 nan 0.000 0.453 80 G N -0.710 108.059 108.800 -0.051 0.000 2.205 80 G HA2 0.235 4.194 3.960 -0.001 0.000 0.180 80 G HA3 0.235 4.194 3.960 -0.001 0.000 0.180 80 G C 1.126 176.116 174.900 0.150 0.000 1.004 80 G CA 0.239 45.329 45.100 -0.017 0.000 0.670 80 G HN 1.888 nan 8.290 nan 0.000 0.496 81 G N -0.314 108.544 108.800 0.096 0.000 2.760 81 G HA2 0.124 4.084 3.960 -0.001 0.000 0.246 81 G HA3 0.124 4.084 3.960 -0.001 0.000 0.246 81 G C -0.852 174.098 174.900 0.083 0.000 1.359 81 G CA 0.241 45.390 45.100 0.082 0.000 0.861 81 G HN 0.588 nan 8.290 nan 0.000 0.541 82 P HA -0.120 nan 4.420 nan 0.000 0.219 82 P C 1.572 178.836 177.300 -0.061 0.000 1.153 82 P CA 2.066 65.159 63.100 -0.011 0.000 0.865 82 P CB -0.054 31.642 31.700 -0.006 0.000 0.788 83 E N -2.450 117.710 120.200 -0.066 0.000 2.209 83 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 83 E C 0.615 176.934 176.600 -0.469 0.000 0.993 83 E CA 1.036 57.270 56.400 -0.277 0.000 0.819 83 E CB -0.275 29.210 29.700 -0.359 0.000 0.745 83 E HN 0.492 nan 8.360 nan 0.000 0.477 84 Y N -1.224 119.043 120.300 -0.056 0.000 2.641 84 Y HA 0.069 4.619 4.550 -0.001 0.000 0.248 84 Y C 1.651 177.387 175.900 -0.274 0.000 1.170 84 Y CA -0.346 57.653 58.100 -0.167 0.000 1.201 84 Y CB 0.194 38.567 38.460 -0.146 0.000 1.232 84 Y HN -0.084 nan 8.280 nan 0.000 0.537 85 V N -1.099 118.760 119.914 -0.092 0.000 2.324 85 V HA -0.387 3.733 4.120 -0.001 0.000 0.250 85 V C 2.514 178.513 176.094 -0.158 0.000 1.060 85 V CA 2.604 64.825 62.300 -0.132 0.000 1.042 85 V CB -1.008 30.670 31.823 -0.241 0.000 0.650 85 V HN 0.621 nan 8.190 nan 0.000 0.450 86 H N -0.118 118.775 119.070 -0.296 0.000 2.518 86 H HA -0.164 4.391 4.556 -0.001 0.000 0.294 86 H C 2.109 177.427 175.328 -0.016 0.000 1.083 86 H CA 1.725 57.702 56.048 -0.118 0.000 1.264 86 H CB -1.461 28.072 29.762 -0.382 0.000 1.370 86 H HN 0.552 nan 8.280 nan 0.000 0.560 87 C N 0.935 119.942 119.300 -0.487 0.000 2.430 87 C HA 0.023 4.483 4.460 -0.001 0.000 0.288 87 C C 2.870 177.817 174.990 -0.073 0.000 1.448 87 C CA 0.323 59.185 59.018 -0.261 0.000 1.784 87 C CB -1.255 26.350 27.740 -0.225 0.000 1.776 87 C HN 0.493 nan 8.230 nan 0.000 0.547 88 L N -0.433 120.777 121.223 -0.020 0.000 2.416 88 L HA 0.052 4.392 4.340 -0.001 0.000 0.216 88 L C 2.321 179.212 176.870 0.034 0.000 1.098 88 L CA 0.471 55.322 54.840 0.018 0.000 0.840 88 L CB -0.363 41.731 42.059 0.058 0.000 0.981 88 L HN 0.334 nan 8.230 nan 0.000 0.462 89 L N 0.201 121.471 121.223 0.077 0.000 2.013 89 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 89 L C -0.153 176.722 176.870 0.009 0.000 1.073 89 L CA 1.705 56.584 54.840 0.064 0.000 0.753 89 L CB -2.027 40.099 42.059 0.112 0.000 0.890 89 L HN 0.229 nan 8.230 nan 0.000 0.432 90 P HA -0.152 nan 4.420 nan 0.000 0.213 90 P C -1.306 175.971 177.300 -0.038 0.000 1.170 90 P CA 1.771 64.864 63.100 -0.012 0.000 0.902 90 P CB -1.175 30.525 31.700 -0.000 0.000 0.789 91 P HA -0.112 nan 4.420 nan 0.000 0.217 91 P C 1.674 178.931 177.300 -0.072 0.000 1.150 91 P CA 1.418 64.475 63.100 -0.071 0.000 0.832 91 P CB -0.378 31.270 31.700 -0.087 0.000 0.787 92 L N -0.163 121.028 121.223 -0.054 0.000 2.093 92 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 92 L C 2.919 179.756 176.870 -0.055 0.000 1.085 92 L CA 1.344 56.155 54.840 -0.048 0.000 0.755 92 L CB -0.819 41.228 42.059 -0.020 0.000 0.904 92 L HN 0.017 nan 8.230 nan 0.000 0.435 93 E N -0.479 119.685 120.200 -0.060 0.000 2.077 93 E HA -0.260 4.090 4.350 -0.001 0.000 0.193 93 E C 2.308 178.865 176.600 -0.072 0.000 0.989 93 E CA 1.440 57.797 56.400 -0.071 0.000 0.800 93 E CB 0.056 29.714 29.700 -0.070 0.000 0.746 93 E HN 0.295 nan 8.360 nan 0.000 0.452 94 S N 0.004 115.660 115.700 -0.074 0.000 2.368 94 S HA -0.097 4.372 4.470 -0.001 0.000 0.225 94 S C 1.956 176.503 174.600 -0.088 0.000 1.030 94 S CA 0.897 59.046 58.200 -0.085 0.000 0.999 94 S CB -0.176 62.970 63.200 -0.091 0.000 0.844 94 S HN 0.316 nan 8.310 nan 0.000 0.459 95 L N 0.798 121.973 121.223 -0.080 0.000 2.291 95 L HA 0.093 4.432 4.340 -0.001 0.000 0.214 95 L C 2.434 179.266 176.870 -0.062 0.000 1.120 95 L CA 0.872 55.668 54.840 -0.073 0.000 0.799 95 L CB -0.414 41.604 42.059 -0.068 0.000 0.925 95 L HN 0.369 nan 8.230 nan 0.000 0.446 96 A N -1.249 121.535 122.820 -0.060 0.000 2.238 96 A HA 0.028 4.348 4.320 -0.001 0.000 0.208 96 A C 1.714 179.263 177.584 -0.058 0.000 1.177 96 A CA 0.821 52.828 52.037 -0.049 0.000 0.804 96 A CB -0.396 18.577 19.000 -0.046 0.000 0.823 96 A HN 0.301 nan 8.150 nan 0.000 0.482 97 T N -0.764 113.743 114.554 -0.077 0.000 3.040 97 T HA 0.227 4.576 4.350 -0.001 0.000 0.266 97 T C 0.525 175.149 174.700 -0.127 0.000 1.005 97 T CA -0.139 61.903 62.100 -0.098 0.000 0.906 97 T CB 0.129 68.930 68.868 -0.111 0.000 1.082 97 T HN 0.053 nan 8.240 nan 0.000 0.531 98 V N 2.359 122.211 119.914 -0.104 0.000 3.287 98 V HA 0.030 4.149 4.120 -0.001 0.000 0.306 98 V C 1.600 177.646 176.094 -0.079 0.000 1.103 98 V CA 0.415 62.655 62.300 -0.100 0.000 1.159 98 V CB 0.800 32.578 31.823 -0.074 0.000 1.036 98 V HN 0.414 nan 8.190 nan 0.000 0.487 99 E N 0.648 120.813 120.200 -0.059 0.000 2.107 99 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 99 E C 0.686 177.288 176.600 0.004 0.000 0.982 99 E CA 0.400 56.792 56.400 -0.013 0.000 0.809 99 E CB 0.095 29.805 29.700 0.017 0.000 0.756 99 E HN 0.643 nan 8.360 nan 0.000 0.459 100 E N 1.558 121.756 120.200 -0.003 0.000 2.159 100 E HA -0.052 4.298 4.350 -0.001 0.000 0.272 100 E C 0.849 177.453 176.600 0.006 0.000 1.138 100 E CA 0.175 56.579 56.400 0.007 0.000 0.915 100 E CB 0.509 30.210 29.700 0.001 0.000 1.028 100 E HN 0.158 nan 8.360 nan 0.000 0.423 101 T N 0.835 115.402 114.554 0.021 0.000 2.721 101 T HA -0.236 4.113 4.350 -0.001 0.000 0.268 101 T C 1.719 176.431 174.700 0.020 0.000 1.038 101 T CA 1.549 63.664 62.100 0.026 0.000 1.145 101 T CB -0.468 68.427 68.868 0.046 0.000 0.858 101 T HN 0.236 nan 8.240 nan 0.000 0.459 102 V N 1.172 121.097 119.914 0.018 0.000 2.407 102 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 102 V C 2.933 179.031 176.094 0.007 0.000 1.055 102 V CA 1.492 63.801 62.300 0.016 0.000 1.049 102 V CB -0.699 31.133 31.823 0.014 0.000 0.662 102 V HN 0.458 nan 8.190 nan 0.000 0.455 103 V N -0.171 119.742 119.914 -0.002 0.000 2.379 103 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 103 V C 2.575 178.661 176.094 -0.013 0.000 1.044 103 V CA 1.694 63.986 62.300 -0.012 0.000 1.036 103 V CB -0.754 31.054 31.823 -0.025 0.000 0.664 103 V HN 0.456 nan 8.190 nan 0.000 0.453 104 R N 0.298 120.791 120.500 -0.012 0.000 2.117 104 R HA -0.191 4.149 4.340 -0.001 0.000 0.243 104 R C 1.998 178.300 176.300 0.004 0.000 1.143 104 R CA 1.812 57.906 56.100 -0.011 0.000 0.968 104 R CB -0.565 29.728 30.300 -0.011 0.000 0.863 104 R HN 0.536 nan 8.270 nan 0.000 0.444 105 D N 0.449 120.858 120.400 0.014 0.000 2.144 105 D HA -0.115 4.525 4.640 -0.001 0.000 0.200 105 D C 1.820 178.135 176.300 0.025 0.000 0.978 105 D CA 0.937 54.953 54.000 0.026 0.000 0.833 105 D CB -0.036 40.783 40.800 0.031 0.000 0.961 105 D HN 0.003 nan 8.370 nan 0.000 0.470 106 K N 0.837 121.247 120.400 0.016 0.000 2.057 106 K HA 0.022 4.342 4.320 -0.001 0.000 0.206 106 K C 2.015 178.624 176.600 0.014 0.000 1.050 106 K CA 0.796 57.093 56.287 0.016 0.000 0.935 106 K CB -0.350 32.154 32.500 0.007 0.000 0.715 106 K HN 0.040 nan 8.250 nan 0.000 0.439 107 A N 0.841 123.662 122.820 0.003 0.000 1.908 107 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 107 A C 2.449 180.042 177.584 0.015 0.000 1.181 107 A CA 1.741 53.776 52.037 -0.002 0.000 0.627 107 A CB -0.689 18.299 19.000 -0.020 0.000 0.818 107 A HN 0.083 nan 8.150 nan 0.000 0.445 108 V N -0.031 119.895 119.914 0.021 0.000 2.343 108 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 108 V C 2.530 178.657 176.094 0.055 0.000 1.051 108 V CA 2.336 64.659 62.300 0.038 0.000 1.036 108 V CB -0.673 31.176 31.823 0.043 0.000 0.654 108 V HN 0.783 nan 8.190 nan 0.000 0.451 109 E N -0.032 120.198 120.200 0.051 0.000 2.077 109 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 109 E C 2.319 178.957 176.600 0.063 0.000 0.989 109 E CA 1.583 58.018 56.400 0.058 0.000 0.800 109 E CB -0.065 29.666 29.700 0.051 0.000 0.746 109 E HN 0.587 nan 8.360 nan 0.000 0.452 110 S N 0.515 116.248 115.700 0.055 0.000 2.383 110 S HA -0.068 4.401 4.470 -0.001 0.000 0.227 110 S C 1.929 176.577 174.600 0.080 0.000 1.026 110 S CA 0.628 58.865 58.200 0.063 0.000 0.981 110 S CB -0.128 63.099 63.200 0.045 0.000 0.818 110 S HN 0.261 nan 8.310 nan 0.000 0.472 111 L N 0.957 122.230 121.223 0.083 0.000 2.083 111 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 111 L C 2.670 179.621 176.870 0.135 0.000 1.083 111 L CA 1.216 56.139 54.840 0.140 0.000 0.752 111 L CB -0.374 41.751 42.059 0.111 0.000 0.899 111 L HN 0.225 nan 8.230 nan 0.000 0.433 112 R N -0.341 120.205 120.500 0.077 0.000 2.092 112 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 112 R C 2.430 178.669 176.300 -0.101 0.000 1.119 112 R CA 1.170 57.257 56.100 -0.021 0.000 0.970 112 R CB -0.439 29.889 30.300 0.047 0.000 0.864 112 R HN 0.350 nan 8.270 nan 0.000 0.440 113 A N 2.066 124.911 122.820 0.041 0.000 1.845 113 A HA -0.156 4.163 4.320 -0.001 0.000 0.215 113 A C 2.206 179.849 177.584 0.098 0.000 1.195 113 A CA 1.642 53.753 52.037 0.123 0.000 0.616 113 A CB -0.666 18.404 19.000 0.117 0.000 0.832 113 A HN 0.456 nan 8.150 nan 0.000 0.443 114 I N -1.055 119.561 120.570 0.078 0.000 2.830 114 I HA -0.103 4.067 4.170 -0.001 0.000 0.263 114 I C 2.166 178.330 176.117 0.077 0.000 1.230 114 I CA 1.539 62.917 61.300 0.130 0.000 1.480 114 I CB -0.557 37.566 38.000 0.205 0.000 1.095 114 I HN 0.334 nan 8.210 nan 0.000 0.455 115 S N 1.272 116.815 115.700 -0.261 0.000 2.383 115 S HA -0.255 4.214 4.470 -0.001 0.000 0.229 115 S C 1.907 176.248 174.600 -0.432 0.000 1.030 115 S CA 1.358 59.111 58.200 -0.744 0.000 1.002 115 S CB -1.086 61.385 63.200 -1.215 0.000 0.829 115 S HN 0.604 nan 8.310 nan 0.000 0.467 116 H N 1.344 120.348 119.070 -0.110 0.000 2.545 116 H HA 0.156 4.712 4.556 -0.001 0.000 0.282 116 H C 1.621 176.962 175.328 0.022 0.000 1.020 116 H CA 1.231 57.251 56.048 -0.048 0.000 1.243 116 H CB -0.130 29.616 29.762 -0.027 0.000 1.377 116 H HN 0.528 nan 8.280 nan 0.000 0.581 117 E N 0.441 120.748 120.200 0.177 0.000 2.442 117 E HA 0.006 4.356 4.350 -0.001 0.000 0.195 117 E C 0.292 176.975 176.600 0.138 0.000 1.030 117 E CA 0.088 56.579 56.400 0.152 0.000 0.869 117 E CB 0.151 29.935 29.700 0.140 0.000 0.857 117 E HN 0.632 nan 8.360 nan 0.000 0.505 118 H N 1.012 120.067 119.070 -0.025 0.000 2.610 118 H HA 0.156 4.711 4.556 -0.001 0.000 0.336 118 H C 0.666 175.978 175.328 -0.027 0.000 1.087 118 H CA -0.297 55.739 56.048 -0.020 0.000 1.405 118 H CB 1.038 30.779 29.762 -0.035 0.000 1.460 118 H HN -0.017 nan 8.280 nan 0.000 0.538 119 S N 3.883 119.628 115.700 0.076 0.000 2.585 119 S HA 0.024 4.494 4.470 -0.001 0.000 0.273 119 S C -1.499 173.128 174.600 0.044 0.000 1.339 119 S CA -1.322 56.901 58.200 0.037 0.000 1.028 119 S CB 1.367 64.571 63.200 0.006 0.000 0.906 119 S HN 0.487 nan 8.310 nan 0.000 0.528 120 P HA -0.161 nan 4.420 nan 0.000 0.217 120 P C 1.570 178.880 177.300 0.015 0.000 1.148 120 P CA 1.461 64.565 63.100 0.006 0.000 0.834 120 P CB -0.141 31.555 31.700 -0.008 0.000 0.783 121 S N -0.584 115.126 115.700 0.016 0.000 2.368 121 S HA -0.129 4.341 4.470 -0.001 0.000 0.224 121 S C 1.674 176.303 174.600 0.049 0.000 1.029 121 S CA 1.344 59.554 58.200 0.015 0.000 0.988 121 S CB -0.851 62.350 63.200 0.001 0.000 0.838 121 S HN -0.002 nan 8.310 nan 0.000 0.462 122 D N 0.985 121.433 120.400 0.080 0.000 2.269 122 D HA 0.066 4.705 4.640 -0.001 0.000 0.208 122 D C 1.861 178.329 176.300 0.281 0.000 0.963 122 D CA 0.374 54.480 54.000 0.177 0.000 0.864 122 D CB -0.161 40.688 40.800 0.083 0.000 0.936 122 D HN 0.393 nan 8.370 nan 0.000 0.505 123 L N 0.653 121.983 121.223 0.180 0.000 2.027 123 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 123 L C 2.293 179.238 176.870 0.125 0.000 1.074 123 L CA 1.181 56.108 54.840 0.146 0.000 0.745 123 L CB -0.247 41.818 42.059 0.010 0.000 0.898 123 L HN -0.018 nan 8.230 nan 0.000 0.433 124 E N -0.056 120.177 120.200 0.055 0.000 2.106 124 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 124 E C 2.183 178.762 176.600 -0.035 0.000 0.984 124 E CA 1.121 57.523 56.400 0.004 0.000 0.806 124 E CB -0.106 29.585 29.700 -0.015 0.000 0.750 124 E HN 0.484 nan 8.360 nan 0.000 0.458 125 A N 0.207 123.003 122.820 -0.040 0.000 2.016 125 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 125 A C 1.155 178.437 177.584 -0.504 0.000 1.162 125 A CA 1.267 53.162 52.037 -0.237 0.000 0.662 125 A CB -0.180 18.691 19.000 -0.215 0.000 0.812 125 A HN 0.209 nan 8.150 nan 0.000 0.450 126 H N -4.356 114.729 119.070 0.026 0.000 2.312 126 H HA 0.270 4.825 4.556 -0.001 0.000 0.215 126 H C 1.382 176.762 175.328 0.085 0.000 0.870 126 H CA 0.271 56.358 56.048 0.064 0.000 0.982 126 H CB -0.189 29.638 29.762 0.108 0.000 1.330 126 H HN 0.314 nan 8.280 nan 0.000 0.399 127 F N 1.455 121.467 119.950 0.103 0.000 2.113 127 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 127 F C 1.993 177.722 175.800 -0.118 0.000 1.103 127 F CA 1.149 59.111 58.000 -0.063 0.000 1.248 127 F CB -0.225 38.651 39.000 -0.206 0.000 0.999 127 F HN -0.088 nan 8.300 nan 0.000 0.475 128 V N 0.905 120.838 119.914 0.032 0.000 2.343 128 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 128 V C -0.458 175.511 176.094 -0.210 0.000 1.051 128 V CA 2.105 64.336 62.300 -0.115 0.000 1.036 128 V CB -1.831 29.941 31.823 -0.085 0.000 0.654 128 V HN 0.195 nan 8.190 nan 0.000 0.451 129 P HA -0.171 nan 4.420 nan 0.000 0.216 129 P C 1.903 179.100 177.300 -0.173 0.000 1.150 129 P CA 1.247 64.258 63.100 -0.149 0.000 0.843 129 P CB -0.060 31.571 31.700 -0.115 0.000 0.787 130 L N -0.589 120.502 121.223 -0.220 0.000 2.017 130 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 130 L C 2.085 178.774 176.870 -0.303 0.000 1.073 130 L CA 1.911 56.594 54.840 -0.261 0.000 0.745 130 L CB -1.214 40.618 42.059 -0.377 0.000 0.894 130 L HN -0.188 nan 8.230 nan 0.000 0.432 131 V N -0.119 119.544 119.914 -0.419 0.000 2.343 131 V HA -0.302 3.818 4.120 -0.001 0.000 0.247 131 V C 2.641 178.563 176.094 -0.287 0.000 1.051 131 V CA 2.087 64.138 62.300 -0.415 0.000 1.036 131 V CB -0.823 30.666 31.823 -0.557 0.000 0.654 131 V HN 0.458 nan 8.190 nan 0.000 0.451 132 K N -0.234 119.986 120.400 -0.300 0.000 2.057 132 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 132 K C 2.452 179.050 176.600 -0.003 0.000 1.049 132 K CA 1.336 57.492 56.287 -0.218 0.000 0.931 132 K CB -0.229 32.098 32.500 -0.288 0.000 0.714 132 K HN 0.407 nan 8.250 nan 0.000 0.440 133 R N 0.769 121.239 120.500 -0.052 0.000 2.083 133 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 133 R C 2.438 178.742 176.300 0.007 0.000 1.137 133 R CA 1.297 57.390 56.100 -0.011 0.000 0.951 133 R CB -0.536 29.739 30.300 -0.041 0.000 0.851 133 R HN 0.176 nan 8.270 nan 0.000 0.434 134 L N 0.198 121.404 121.223 -0.029 0.000 2.017 134 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 134 L C 2.714 179.617 176.870 0.056 0.000 1.073 134 L CA 1.281 56.118 54.840 -0.005 0.000 0.745 134 L CB -0.671 41.361 42.059 -0.046 0.000 0.894 134 L HN 0.250 nan 8.230 nan 0.000 0.432 135 A N 0.070 122.948 122.820 0.098 0.000 2.019 135 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 135 A C 2.123 179.800 177.584 0.155 0.000 1.164 135 A CA 1.723 53.871 52.037 0.186 0.000 0.644 135 A CB -0.841 18.381 19.000 0.369 0.000 0.805 135 A HN 0.479 nan 8.150 nan 0.000 0.449 136 G N -0.754 108.131 108.800 0.142 0.000 3.233 136 G HA2 0.415 4.375 3.960 -0.001 0.000 0.234 136 G HA3 0.415 4.375 3.960 -0.001 0.000 0.234 136 G C 0.722 175.670 174.900 0.079 0.000 1.137 136 G CA 0.424 45.587 45.100 0.106 0.000 0.763 136 G HN 0.710 nan 8.290 nan 0.000 0.549 137 G N 0.156 109.004 108.800 0.079 0.000 2.630 137 G HA2 0.223 4.183 3.960 -0.001 0.000 0.236 137 G HA3 0.223 4.183 3.960 -0.001 0.000 0.236 137 G C 0.451 175.414 174.900 0.105 0.000 1.248 137 G CA -0.196 44.955 45.100 0.086 0.000 0.844 137 G HN 0.101 nan 8.290 nan 0.000 0.588 138 D N -0.509 119.973 120.400 0.136 0.000 2.194 138 D HA -0.041 4.599 4.640 -0.001 0.000 0.204 138 D C 0.474 176.887 176.300 0.187 0.000 0.964 138 D CA 0.701 54.791 54.000 0.150 0.000 0.846 138 D CB 0.141 41.050 40.800 0.182 0.000 0.962 138 D HN 0.422 nan 8.370 nan 0.000 0.490 139 W N 2.079 123.381 121.300 0.002 0.000 2.335 139 W HA 0.058 4.717 4.660 -0.001 0.000 0.306 139 W C 0.887 177.382 176.519 -0.040 0.000 1.216 139 W CA -0.916 56.415 57.345 -0.023 0.000 1.237 139 W CB 0.586 29.988 29.460 -0.097 0.000 1.243 139 W HN -0.130 nan 8.180 nan 0.000 0.493 140 F N 2.035 121.928 119.950 -0.095 0.000 2.192 140 F HA -0.296 4.231 4.527 -0.001 0.000 0.301 140 F C 2.119 177.945 175.800 0.044 0.000 1.079 140 F CA 2.102 60.073 58.000 -0.049 0.000 1.303 140 F CB -1.244 37.677 39.000 -0.132 0.000 1.024 140 F HN 0.198 nan 8.300 nan 0.000 0.494 141 T N -2.554 111.562 114.554 -0.729 0.000 2.881 141 T HA -0.162 4.188 4.350 -0.001 0.000 0.270 141 T C 1.913 176.553 174.700 -0.101 0.000 1.068 141 T CA 1.427 63.264 62.100 -0.438 0.000 1.131 141 T CB -0.962 67.692 68.868 -0.357 0.000 0.871 141 T HN 0.407 nan 8.240 nan 0.000 0.479 142 S N 1.331 117.018 115.700 -0.021 0.000 2.387 142 S HA 0.052 4.522 4.470 -0.001 0.000 0.226 142 S C 2.258 176.882 174.600 0.040 0.000 1.026 142 S CA 0.560 58.769 58.200 0.015 0.000 0.972 142 S CB -0.208 63.018 63.200 0.042 0.000 0.814 142 S HN 0.543 nan 8.310 nan 0.000 0.477 143 R N 0.999 121.540 120.500 0.068 0.000 2.115 143 R HA -0.050 4.290 4.340 -0.001 0.000 0.226 143 R C 2.672 179.023 176.300 0.084 0.000 1.100 143 R CA 1.684 57.835 56.100 0.085 0.000 0.980 143 R CB -0.907 29.446 30.300 0.088 0.000 0.875 143 R HN 0.592 nan 8.270 nan 0.000 0.445 144 T N -1.391 113.219 114.554 0.093 0.000 2.821 144 T HA -0.049 4.301 4.350 -0.001 0.000 0.267 144 T C 2.080 176.826 174.700 0.077 0.000 1.046 144 T CA 1.504 63.659 62.100 0.093 0.000 1.139 144 T CB -0.186 68.761 68.868 0.133 0.000 0.871 144 T HN 0.013 nan 8.240 nan 0.000 0.454 145 S N 1.862 117.595 115.700 0.056 0.000 2.383 145 S HA 0.164 4.634 4.470 -0.001 0.000 0.227 145 S C 2.629 177.271 174.600 0.070 0.000 1.026 145 S CA 0.813 59.041 58.200 0.047 0.000 0.981 145 S CB -0.783 62.423 63.200 0.011 0.000 0.818 145 S HN 0.761 nan 8.310 nan 0.000 0.472 146 A N 0.848 123.719 122.820 0.085 0.000 1.908 146 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 146 A C 2.367 180.148 177.584 0.328 0.000 1.181 146 A CA 1.595 53.710 52.037 0.130 0.000 0.627 146 A CB -1.419 17.677 19.000 0.160 0.000 0.818 146 A HN 0.619 nan 8.150 nan 0.000 0.445 147 C N -1.026 118.448 119.300 0.290 0.000 2.396 147 C HA -0.108 4.351 4.460 -0.001 0.000 0.277 147 C C 2.680 177.891 174.990 0.368 0.000 1.231 147 C CA 0.836 60.029 59.018 0.291 0.000 1.775 147 C CB -1.652 26.137 27.740 0.081 0.000 2.036 147 C HN 0.722 nan 8.230 nan 0.000 0.484 148 G N -0.716 108.231 108.800 0.244 0.000 2.985 148 G HA2 0.188 4.147 3.960 -0.001 0.000 0.209 148 G HA3 0.188 4.147 3.960 -0.001 0.000 0.209 148 G C 1.210 176.227 174.900 0.195 0.000 1.165 148 G CA 0.056 45.275 45.100 0.199 0.000 0.776 148 G HN 0.570 nan 8.290 nan 0.000 0.541 149 L N -1.097 120.251 121.223 0.208 0.000 2.616 149 L HA 0.328 4.667 4.340 -0.001 0.000 0.229 149 L C 1.945 178.878 176.870 0.104 0.000 1.110 149 L CA -0.256 54.661 54.840 0.130 0.000 0.884 149 L CB -0.075 41.973 42.059 -0.018 0.000 1.115 149 L HN 0.036 nan 8.230 nan 0.000 0.481 150 F N 0.903 120.874 119.950 0.035 0.000 2.113 150 F HA -0.226 4.301 4.527 -0.001 0.000 0.297 150 F C 2.982 178.821 175.800 0.065 0.000 1.103 150 F CA 1.743 59.715 58.000 -0.047 0.000 1.248 150 F CB -0.797 37.916 39.000 -0.478 0.000 0.999 150 F HN 0.134 nan 8.300 nan 0.000 0.475 151 S N 0.390 116.247 115.700 0.261 0.000 2.399 151 S HA -0.164 4.305 4.470 -0.001 0.000 0.231 151 S C 2.081 176.804 174.600 0.204 0.000 1.022 151 S CA 1.360 59.724 58.200 0.272 0.000 0.983 151 S CB -1.418 61.905 63.200 0.205 0.000 0.803 151 S HN 0.295 nan 8.310 nan 0.000 0.480 152 V N 0.645 120.630 119.914 0.119 0.000 2.667 152 V HA -0.023 4.096 4.120 -0.001 0.000 0.252 152 V C 2.558 178.598 176.094 -0.091 0.000 1.065 152 V CA 0.959 63.257 62.300 -0.003 0.000 1.083 152 V CB -1.584 30.131 31.823 -0.181 0.000 0.692 152 V HN 0.880 nan 8.190 nan 0.000 0.468 153 C N -2.486 116.791 119.300 -0.039 0.000 2.912 153 C HA 0.311 4.771 4.460 -0.001 0.000 0.274 153 C C 2.390 177.425 174.990 0.074 0.000 1.248 153 C CA 0.046 59.016 59.018 -0.080 0.000 1.694 153 C CB -1.584 26.122 27.740 -0.057 0.000 2.024 153 C HN 0.581 nan 8.230 nan 0.000 0.605 154 Y N 3.734 124.085 120.300 0.085 0.000 2.114 154 Y HA 0.043 4.593 4.550 -0.001 0.000 0.284 154 Y C -0.405 175.540 175.900 0.076 0.000 1.143 154 Y CA 2.127 60.310 58.100 0.139 0.000 1.135 154 Y CB -1.480 37.148 38.460 0.280 0.000 0.980 154 Y HN 0.195 nan 8.280 nan 0.000 0.499 155 P HA -0.201 nan 4.420 nan 0.000 0.215 155 P C 1.118 178.391 177.300 -0.045 0.000 1.163 155 P CA 2.360 65.496 63.100 0.060 0.000 0.894 155 P CB -0.029 31.736 31.700 0.108 0.000 0.791 156 R N -0.750 119.728 120.500 -0.037 0.000 2.313 156 R HA 0.069 4.409 4.340 -0.001 0.000 0.199 156 R C 0.494 176.753 176.300 -0.068 0.000 0.958 156 R CA 0.052 56.125 56.100 -0.046 0.000 1.047 156 R CB -0.498 29.784 30.300 -0.030 0.000 0.955 156 R HN 0.195 nan 8.270 nan 0.000 0.481 157 V N -1.788 118.062 119.914 -0.108 0.000 2.973 157 V HA 0.441 4.561 4.120 -0.001 0.000 0.314 157 V C 0.499 176.521 176.094 -0.121 0.000 1.066 157 V CA -1.214 61.026 62.300 -0.101 0.000 1.021 157 V CB 1.657 33.425 31.823 -0.091 0.000 1.076 157 V HN 0.191 nan 8.190 nan 0.000 0.462 158 S N 1.031 116.683 115.700 -0.081 0.000 2.569 158 S HA 0.018 4.487 4.470 -0.001 0.000 0.274 158 S C 1.484 176.031 174.600 -0.088 0.000 1.353 158 S CA 0.583 58.742 58.200 -0.069 0.000 1.023 158 S CB 0.682 63.858 63.200 -0.041 0.000 0.876 158 S HN 1.487 nan 8.310 nan 0.000 0.540 159 S N 1.935 117.596 115.700 -0.064 0.000 2.382 159 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 159 S C 2.078 176.666 174.600 -0.022 0.000 1.027 159 S CA 1.292 59.460 58.200 -0.053 0.000 0.991 159 S CB -1.210 61.975 63.200 -0.025 0.000 0.823 159 S HN 1.030 nan 8.310 nan 0.000 0.469 160 A N 0.597 123.411 122.820 -0.010 0.000 1.933 160 A HA 0.022 4.342 4.320 -0.001 0.000 0.218 160 A C 2.306 179.904 177.584 0.025 0.000 1.175 160 A CA 1.712 53.758 52.037 0.014 0.000 0.628 160 A CB -0.849 18.157 19.000 0.011 0.000 0.814 160 A HN 0.473 nan 8.150 nan 0.000 0.444 161 V N -0.036 119.876 119.914 -0.002 0.000 2.453 161 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 161 V C 2.352 178.465 176.094 0.032 0.000 1.048 161 V CA 2.075 64.378 62.300 0.005 0.000 1.049 161 V CB -0.614 31.194 31.823 -0.026 0.000 0.672 161 V HN 0.522 nan 8.190 nan 0.000 0.457 162 K N 0.606 120.983 120.400 -0.038 0.000 2.063 162 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 162 K C 2.313 179.064 176.600 0.251 0.000 1.048 162 K CA 1.573 57.837 56.287 -0.038 0.000 0.928 162 K CB -0.435 31.864 32.500 -0.334 0.000 0.713 162 K HN 0.471 nan 8.250 nan 0.000 0.442 163 A N 1.645 124.565 122.820 0.167 0.000 1.933 163 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 163 A C 1.874 179.601 177.584 0.239 0.000 1.175 163 A CA 1.537 53.690 52.037 0.194 0.000 0.628 163 A CB -0.355 18.721 19.000 0.125 0.000 0.814 163 A HN 0.322 nan 8.150 nan 0.000 0.444 164 E N -0.175 120.156 120.200 0.218 0.000 2.072 164 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 164 E C 1.965 178.803 176.600 0.397 0.000 0.985 164 E CA 1.059 57.622 56.400 0.272 0.000 0.801 164 E CB -0.292 29.507 29.700 0.165 0.000 0.750 164 E HN 0.624 nan 8.360 nan 0.000 0.452 165 L N 0.674 122.121 121.223 0.373 0.000 2.017 165 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 165 L C 2.643 179.918 176.870 0.675 0.000 1.073 165 L CA 1.222 56.384 54.840 0.535 0.000 0.745 165 L CB -0.388 42.028 42.059 0.595 0.000 0.894 165 L HN 0.076 nan 8.230 nan 0.000 0.432 166 R N -0.408 120.450 120.500 0.597 0.000 2.117 166 R HA -0.249 4.090 4.340 -0.001 0.000 0.243 166 R C 2.293 178.840 176.300 0.412 0.000 1.143 166 R CA 1.674 58.079 56.100 0.510 0.000 0.968 166 R CB -0.332 30.171 30.300 0.338 0.000 0.863 166 R HN 0.286 nan 8.270 nan 0.000 0.444 167 Q N 0.029 120.050 119.800 0.369 0.000 2.079 167 Q HA -0.155 4.184 4.340 -0.001 0.000 0.200 167 Q C 1.514 177.661 176.000 0.245 0.000 0.974 167 Q CA 1.670 57.629 55.803 0.260 0.000 0.840 167 Q CB -0.298 28.570 28.738 0.217 0.000 0.898 167 Q HN 0.358 nan 8.270 nan 0.000 0.430 168 Y N -1.010 119.445 120.300 0.259 0.000 2.242 168 Y HA -0.127 4.423 4.550 -0.001 0.000 0.291 168 Y C 1.850 177.842 175.900 0.154 0.000 1.137 168 Y CA 1.284 59.540 58.100 0.260 0.000 1.181 168 Y CB -0.363 38.337 38.460 0.399 0.000 0.989 168 Y HN 0.224 nan 8.280 nan 0.000 0.527 169 F N 0.160 120.130 119.950 0.032 0.000 2.186 169 F HA -0.119 4.408 4.527 -0.001 0.000 0.299 169 F C 2.516 178.221 175.800 -0.158 0.000 1.090 169 F CA 1.247 58.982 58.000 -0.442 0.000 1.307 169 F CB -0.215 38.350 39.000 -0.725 0.000 1.019 169 F HN -0.179 nan 8.300 nan 0.000 0.489 170 R N 0.260 120.833 120.500 0.122 0.000 2.073 170 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 170 R C 1.965 178.232 176.300 -0.055 0.000 1.134 170 R CA 1.686 57.823 56.100 0.062 0.000 0.952 170 R CB -0.423 29.936 30.300 0.099 0.000 0.850 170 R HN 0.299 nan 8.270 nan 0.000 0.433 171 N N 0.748 119.409 118.700 -0.066 0.000 2.166 171 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 171 N C 1.890 177.322 175.510 -0.131 0.000 1.019 171 N CA 1.033 54.023 53.050 -0.100 0.000 0.856 171 N CB -0.257 38.149 38.487 -0.134 0.000 0.993 171 N HN 0.241 nan 8.380 nan 0.000 0.426 172 L N 0.225 121.328 121.223 -0.199 0.000 2.027 172 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 172 L C 2.327 179.034 176.870 -0.271 0.000 1.074 172 L CA 0.827 55.515 54.840 -0.254 0.000 0.745 172 L CB -0.482 41.328 42.059 -0.415 0.000 0.898 172 L HN 0.182 nan 8.230 nan 0.000 0.433 173 C N -0.300 118.797 119.300 -0.338 0.000 2.403 173 C HA -0.140 4.320 4.460 -0.001 0.000 0.282 173 C C 2.531 177.448 174.990 -0.122 0.000 1.297 173 C CA 1.372 60.257 59.018 -0.222 0.000 1.785 173 C CB -1.063 26.593 27.740 -0.141 0.000 1.963 173 C HN 0.673 nan 8.230 nan 0.000 0.507 174 S N -1.344 114.291 115.700 -0.108 0.000 2.601 174 S HA 0.111 4.580 4.470 -0.001 0.000 0.244 174 S C -0.162 174.392 174.600 -0.076 0.000 1.001 174 S CA -0.317 57.837 58.200 -0.076 0.000 0.984 174 S CB -0.316 62.849 63.200 -0.057 0.000 0.842 174 S HN 0.631 nan 8.310 nan 0.000 0.474 175 D N 1.691 122.038 120.400 -0.088 0.000 2.400 175 D HA 0.003 4.642 4.640 -0.001 0.000 0.238 175 D C 0.082 176.339 176.300 -0.071 0.000 1.157 175 D CA 0.226 54.181 54.000 -0.074 0.000 0.889 175 D CB 0.854 41.610 40.800 -0.072 0.000 1.199 175 D HN 0.075 nan 8.370 nan 0.000 0.436 176 D N 0.939 121.299 120.400 -0.066 0.000 2.178 176 D HA -0.070 4.570 4.640 -0.001 0.000 0.202 176 D C 0.248 176.494 176.300 -0.091 0.000 0.974 176 D CA 0.929 54.886 54.000 -0.072 0.000 0.841 176 D CB -0.047 40.712 40.800 -0.068 0.000 0.953 176 D HN 0.297 nan 8.370 nan 0.000 0.478 177 T N 2.243 116.738 114.554 -0.099 0.000 2.761 177 T HA 0.128 4.478 4.350 -0.001 0.000 0.296 177 T C -1.674 172.946 174.700 -0.134 0.000 0.934 177 T CA -1.307 60.708 62.100 -0.142 0.000 1.091 177 T CB 1.925 70.696 68.868 -0.162 0.000 0.896 177 T HN -0.096 nan 8.240 nan 0.000 0.515 178 P HA -0.111 nan 4.420 nan 0.000 0.216 178 P C 1.516 178.749 177.300 -0.112 0.000 1.153 178 P CA 1.071 64.099 63.100 -0.120 0.000 0.858 178 P CB 0.019 31.645 31.700 -0.124 0.000 0.789 179 M N -1.453 118.053 119.600 -0.156 0.000 2.149 179 M HA -0.138 4.341 4.480 -0.001 0.000 0.261 179 M C 1.923 178.207 176.300 -0.025 0.000 1.064 179 M CA 1.635 56.873 55.300 -0.103 0.000 1.102 179 M CB -1.477 31.009 32.600 -0.190 0.000 1.369 179 M HN -0.216 nan 8.290 nan 0.000 0.408 180 V N -0.360 119.535 119.914 -0.032 0.000 2.379 180 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 180 V C 2.379 178.436 176.094 -0.063 0.000 1.044 180 V CA 1.577 63.871 62.300 -0.010 0.000 1.036 180 V CB -0.666 31.152 31.823 -0.008 0.000 0.664 180 V HN 0.404 nan 8.190 nan 0.000 0.453 181 R N 0.044 120.498 120.500 -0.077 0.000 2.096 181 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 181 R C 2.521 178.783 176.300 -0.062 0.000 1.127 181 R CA 1.150 57.198 56.100 -0.087 0.000 0.968 181 R CB -0.342 29.912 30.300 -0.077 0.000 0.861 181 R HN 0.494 nan 8.270 nan 0.000 0.440 182 R N 0.391 120.865 120.500 -0.044 0.000 2.075 182 R HA -0.044 4.296 4.340 -0.001 0.000 0.232 182 R C 2.303 178.601 176.300 -0.002 0.000 1.126 182 R CA 1.318 57.406 56.100 -0.019 0.000 0.963 182 R CB -0.353 29.936 30.300 -0.019 0.000 0.858 182 R HN 0.186 nan 8.270 nan 0.000 0.435 183 A N 1.369 124.187 122.820 -0.004 0.000 1.930 183 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 183 A C 2.378 179.960 177.584 -0.003 0.000 1.175 183 A CA 1.597 53.643 52.037 0.015 0.000 0.627 183 A CB -0.453 18.565 19.000 0.030 0.000 0.815 183 A HN 0.378 nan 8.150 nan 0.000 0.443 184 A N -0.060 122.706 122.820 -0.090 0.000 1.873 184 A HA 0.198 4.517 4.320 -0.001 0.000 0.215 184 A C 2.511 180.105 177.584 0.017 0.000 1.186 184 A CA 1.962 53.874 52.037 -0.207 0.000 0.616 184 A CB -1.062 17.669 19.000 -0.448 0.000 0.823 184 A HN 1.057 nan 8.150 nan 0.000 0.442 185 A N 0.422 123.256 122.820 0.022 0.000 1.940 185 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 185 A C 2.472 180.124 177.584 0.113 0.000 1.176 185 A CA 2.381 54.472 52.037 0.091 0.000 0.631 185 A CB -0.965 18.072 19.000 0.062 0.000 0.814 185 A HN 1.043 nan 8.150 nan 0.000 0.446 186 S N -1.004 114.749 115.700 0.088 0.000 2.447 186 S HA -0.052 4.418 4.470 -0.001 0.000 0.233 186 S C 1.533 176.201 174.600 0.114 0.000 1.006 186 S CA 1.220 59.474 58.200 0.089 0.000 0.957 186 S CB -0.056 63.187 63.200 0.070 0.000 0.773 186 S HN 0.424 nan 8.310 nan 0.000 0.507 187 K N 0.476 120.976 120.400 0.168 0.000 2.353 187 K HA 0.362 4.682 4.320 -0.001 0.000 0.195 187 K C 1.619 178.348 176.600 0.216 0.000 1.031 187 K CA -0.036 56.370 56.287 0.198 0.000 1.079 187 K CB -0.521 32.130 32.500 0.252 0.000 0.857 187 K HN 0.339 nan 8.250 nan 0.000 0.535 188 L N 1.407 122.795 121.223 0.275 0.000 2.051 188 L HA -0.150 4.190 4.340 -0.001 0.000 0.214 188 L C 1.928 178.836 176.870 0.063 0.000 1.076 188 L CA 2.305 57.279 54.840 0.222 0.000 0.758 188 L CB -1.027 41.175 42.059 0.239 0.000 0.890 188 L HN 0.240 nan 8.230 nan 0.000 0.433 189 G N -0.631 108.193 108.800 0.040 0.000 2.433 189 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.216 189 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.216 189 G C 1.328 176.217 174.900 -0.018 0.000 1.186 189 G CA 0.792 45.881 45.100 -0.019 0.000 0.779 189 G HN 0.694 nan 8.290 nan 0.000 0.543 190 E N -0.854 119.362 120.200 0.027 0.000 2.204 190 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 190 E C 2.092 178.724 176.600 0.054 0.000 0.989 190 E CA 0.712 57.134 56.400 0.037 0.000 0.824 190 E CB -0.367 29.374 29.700 0.068 0.000 0.756 190 E HN 0.362 nan 8.360 nan 0.000 0.477 191 F N 1.945 121.777 119.950 -0.196 0.000 2.234 191 F HA 0.223 4.750 4.527 -0.001 0.000 0.296 191 F C 2.281 177.880 175.800 -0.335 0.000 1.089 191 F CA 0.782 58.576 58.000 -0.343 0.000 1.343 191 F CB -0.585 37.987 39.000 -0.714 0.000 1.040 191 F HN 0.103 nan 8.300 nan 0.000 0.498 192 A N 0.009 122.642 122.820 -0.312 0.000 1.972 192 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 192 A C 2.129 179.546 177.584 -0.278 0.000 1.169 192 A CA 1.705 53.517 52.037 -0.375 0.000 0.635 192 A CB -0.703 18.155 19.000 -0.236 0.000 0.810 192 A HN 0.293 nan 8.150 nan 0.000 0.446 193 K N 0.228 120.525 120.400 -0.172 0.000 2.209 193 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 193 K C 1.414 177.953 176.600 -0.101 0.000 1.048 193 K CA 1.737 57.959 56.287 -0.109 0.000 0.940 193 K CB -0.437 32.031 32.500 -0.053 0.000 0.729 193 K HN 0.538 nan 8.250 nan 0.000 0.451 194 V N -1.538 118.294 119.914 -0.136 0.000 3.542 194 V HA 0.337 4.456 4.120 -0.001 0.000 0.296 194 V C 0.484 176.505 176.094 -0.122 0.000 1.364 194 V CA -0.407 61.855 62.300 -0.063 0.000 1.118 194 V CB -0.375 31.483 31.823 0.058 0.000 0.972 194 V HN -0.036 nan 8.190 nan 0.000 0.430 195 L N 1.812 122.841 121.223 -0.324 0.000 2.421 195 L HA 0.501 4.840 4.340 -0.001 0.000 0.263 195 L C 0.551 177.354 176.870 -0.112 0.000 1.122 195 L CA -0.524 54.118 54.840 -0.329 0.000 0.804 195 L CB 1.214 42.937 42.059 -0.560 0.000 1.150 195 L HN 0.379 nan 8.230 nan 0.000 0.457 196 E N 1.939 122.125 120.200 -0.025 0.000 2.366 196 E HA 0.084 4.433 4.350 -0.001 0.000 0.266 196 E C 0.891 177.460 176.600 -0.052 0.000 1.051 196 E CA -0.448 55.944 56.400 -0.014 0.000 0.884 196 E CB 1.292 31.005 29.700 0.021 0.000 1.006 196 E HN 0.525 nan 8.360 nan 0.000 0.417 197 L N 1.013 122.209 121.223 -0.045 0.000 2.051 197 L HA -0.283 4.057 4.340 -0.001 0.000 0.214 197 L C 1.602 178.446 176.870 -0.043 0.000 1.076 197 L CA 1.767 56.577 54.840 -0.051 0.000 0.758 197 L CB -0.433 41.603 42.059 -0.038 0.000 0.890 197 L HN 0.504 nan 8.230 nan 0.000 0.433 198 D N -0.054 120.331 120.400 -0.026 0.000 2.133 198 D HA -0.194 4.446 4.640 -0.001 0.000 0.195 198 D C 1.923 178.210 176.300 -0.021 0.000 0.997 198 D CA 1.187 55.177 54.000 -0.016 0.000 0.840 198 D CB -0.286 40.512 40.800 -0.003 0.000 0.947 198 D HN 0.312 nan 8.370 nan 0.000 0.452 199 N N -0.088 118.593 118.700 -0.033 0.000 2.409 199 N HA -0.056 4.683 4.740 -0.001 0.000 0.179 199 N C 1.833 177.293 175.510 -0.083 0.000 1.032 199 N CA 0.201 53.224 53.050 -0.046 0.000 0.898 199 N CB 0.226 38.682 38.487 -0.051 0.000 0.971 199 N HN 0.118 nan 8.380 nan 0.000 0.441 200 V N 1.697 121.550 119.914 -0.101 0.000 2.283 200 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 200 V C 1.966 178.024 176.094 -0.059 0.000 1.039 200 V CA 1.550 63.782 62.300 -0.113 0.000 1.016 200 V CB -0.296 31.454 31.823 -0.122 0.000 0.650 200 V HN 0.219 nan 8.190 nan 0.000 0.449 201 K N 0.815 121.190 120.400 -0.041 0.000 2.362 201 K HA -0.079 4.240 4.320 -0.001 0.000 0.200 201 K C 2.143 178.744 176.600 0.001 0.000 1.046 201 K CA 1.483 57.761 56.287 -0.015 0.000 0.952 201 K CB -0.134 32.357 32.500 -0.014 0.000 0.753 201 K HN 0.649 nan 8.250 nan 0.000 0.466 202 S N -0.285 115.413 115.700 -0.003 0.000 2.545 202 S HA 0.105 4.574 4.470 -0.001 0.000 0.232 202 S C 1.687 176.299 174.600 0.020 0.000 1.070 202 S CA -0.162 58.045 58.200 0.011 0.000 0.923 202 S CB 0.270 63.476 63.200 0.010 0.000 0.806 202 S HN 0.170 nan 8.310 nan 0.000 0.506 203 E N 0.523 120.729 120.200 0.010 0.000 2.256 203 E HA 0.272 4.622 4.350 -0.001 0.000 0.198 203 E C 1.710 178.332 176.600 0.037 0.000 0.908 203 E CA 0.094 56.510 56.400 0.026 0.000 0.915 203 E CB 0.105 29.818 29.700 0.022 0.000 0.890 203 E HN 0.267 nan 8.360 nan 0.000 0.484 204 I N 1.868 122.437 120.570 -0.003 0.000 2.142 204 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 204 I C 2.349 178.527 176.117 0.102 0.000 1.078 204 I CA 1.080 62.389 61.300 0.015 0.000 1.343 204 I CB -0.834 37.120 38.000 -0.077 0.000 1.046 204 I HN 0.159 nan 8.210 nan 0.000 0.405 205 I N 1.857 122.484 120.570 0.096 0.000 2.113 205 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 205 I C -0.017 176.215 176.117 0.191 0.000 1.064 205 I CA 2.153 63.567 61.300 0.190 0.000 1.320 205 I CB -2.987 35.086 38.000 0.122 0.000 1.028 205 I HN 0.192 nan 8.210 nan 0.000 0.406 206 P HA -0.140 nan 4.420 nan 0.000 0.221 206 P C 2.046 179.393 177.300 0.079 0.000 1.150 206 P CA 1.528 64.671 63.100 0.072 0.000 0.800 206 P CB -0.033 31.697 31.700 0.050 0.000 0.787 207 M N -1.929 117.745 119.600 0.123 0.000 2.156 207 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 207 M C 2.193 178.595 176.300 0.170 0.000 1.067 207 M CA 1.477 56.858 55.300 0.134 0.000 1.131 207 M CB -0.800 31.910 32.600 0.184 0.000 1.368 207 M HN -0.153 nan 8.290 nan 0.000 0.416 208 F N 0.801 120.774 119.950 0.039 0.000 2.069 208 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 208 F C 2.695 178.506 175.800 0.018 0.000 1.113 208 F CA 1.998 60.016 58.000 0.030 0.000 1.214 208 F CB -1.060 37.952 39.000 0.019 0.000 0.978 208 F HN 0.080 nan 8.300 nan 0.000 0.474 209 S N 0.479 116.046 115.700 -0.221 0.000 2.359 209 S HA -0.241 4.229 4.470 -0.001 0.000 0.224 209 S C 1.973 176.451 174.600 -0.204 0.000 1.035 209 S CA 1.826 59.818 58.200 -0.346 0.000 1.018 209 S CB -0.608 62.495 63.200 -0.162 0.000 0.876 209 S HN 0.565 nan 8.310 nan 0.000 0.448 210 N N 1.422 120.068 118.700 -0.090 0.000 2.120 210 N HA -0.002 4.738 4.740 -0.001 0.000 0.188 210 N C 1.752 177.223 175.510 -0.066 0.000 1.024 210 N CA 1.249 54.262 53.050 -0.062 0.000 0.852 210 N CB -0.705 37.767 38.487 -0.026 0.000 1.003 210 N HN 0.413 nan 8.380 nan 0.000 0.424 211 L N 0.405 121.601 121.223 -0.045 0.000 2.131 211 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 211 L C 2.106 178.939 176.870 -0.062 0.000 1.092 211 L CA 0.954 55.777 54.840 -0.028 0.000 0.759 211 L CB -0.384 41.697 42.059 0.037 0.000 0.903 211 L HN 0.116 nan 8.230 nan 0.000 0.435 212 A N -0.687 122.049 122.820 -0.140 0.000 2.168 212 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 212 A C 2.036 179.546 177.584 -0.123 0.000 1.152 212 A CA 1.352 53.291 52.037 -0.164 0.000 0.716 212 A CB -0.327 18.463 19.000 -0.350 0.000 0.794 212 A HN 0.475 nan 8.150 nan 0.000 0.465 213 S N -0.997 114.638 115.700 -0.108 0.000 2.663 213 S HA 0.137 4.607 4.470 -0.001 0.000 0.243 213 S C 0.014 174.576 174.600 -0.063 0.000 1.009 213 S CA -0.386 57.765 58.200 -0.081 0.000 0.988 213 S CB -0.238 62.913 63.200 -0.081 0.000 0.896 213 S HN 0.447 nan 8.310 nan 0.000 0.502 214 D N 1.783 122.147 120.400 -0.060 0.000 2.423 214 D HA 0.035 4.675 4.640 -0.001 0.000 0.238 214 D C 0.669 176.938 176.300 -0.052 0.000 1.142 214 D CA 0.327 54.295 54.000 -0.053 0.000 0.884 214 D CB 0.848 41.618 40.800 -0.050 0.000 1.199 214 D HN 0.366 nan 8.370 nan 0.000 0.438 215 E N 0.605 120.774 120.200 -0.051 0.000 2.347 215 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 215 E C 0.005 176.572 176.600 -0.055 0.000 1.008 215 E CA 0.492 56.862 56.400 -0.050 0.000 0.852 215 E CB 0.288 29.960 29.700 -0.047 0.000 0.783 215 E HN 0.263 nan 8.360 nan 0.000 0.505 216 Q N 0.732 120.496 119.800 -0.059 0.000 2.331 216 Q HA 0.031 4.370 4.340 -0.001 0.000 0.257 216 Q C -0.062 175.897 176.000 -0.070 0.000 0.957 216 Q CA -0.077 55.686 55.803 -0.066 0.000 0.923 216 Q CB 1.230 29.927 28.738 -0.069 0.000 1.212 216 Q HN 0.037 nan 8.270 nan 0.000 0.443 217 D N 0.764 121.115 120.400 -0.081 0.000 2.116 217 D HA -0.217 4.422 4.640 -0.001 0.000 0.193 217 D C 1.350 177.593 176.300 -0.094 0.000 0.998 217 D CA 2.032 55.974 54.000 -0.097 0.000 0.836 217 D CB -0.107 40.613 40.800 -0.134 0.000 0.951 217 D HN 0.652 nan 8.370 nan 0.000 0.449 218 S N 0.069 115.713 115.700 -0.093 0.000 2.440 218 S HA -0.111 4.358 4.470 -0.001 0.000 0.238 218 S C 2.139 176.706 174.600 -0.055 0.000 1.010 218 S CA 0.844 58.996 58.200 -0.080 0.000 0.972 218 S CB -0.410 62.743 63.200 -0.078 0.000 0.774 218 S HN 0.118 nan 8.310 nan 0.000 0.501 219 V N 1.796 121.678 119.914 -0.052 0.000 2.426 219 V HA 0.053 4.172 4.120 -0.001 0.000 0.242 219 V C 2.834 178.915 176.094 -0.022 0.000 1.036 219 V CA 1.141 63.419 62.300 -0.035 0.000 1.044 219 V CB -0.578 31.219 31.823 -0.043 0.000 0.688 219 V HN 0.404 nan 8.190 nan 0.000 0.462 220 R N 0.340 120.820 120.500 -0.033 0.000 2.091 220 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 220 R C 2.383 178.682 176.300 -0.002 0.000 1.136 220 R CA 1.876 57.961 56.100 -0.025 0.000 0.959 220 R CB -0.721 29.555 30.300 -0.040 0.000 0.856 220 R HN 0.549 nan 8.270 nan 0.000 0.437 221 L N 0.741 121.956 121.223 -0.012 0.000 2.127 221 L HA -0.132 4.208 4.340 -0.001 0.000 0.211 221 L C 1.770 178.665 176.870 0.042 0.000 1.089 221 L CA 1.472 56.317 54.840 0.009 0.000 0.757 221 L CB -0.236 41.809 42.059 -0.024 0.000 0.899 221 L HN 0.164 nan 8.230 nan 0.000 0.434 222 L N 0.276 121.522 121.223 0.038 0.000 2.551 222 L HA -0.014 4.325 4.340 -0.001 0.000 0.228 222 L C 2.765 179.692 176.870 0.095 0.000 1.153 222 L CA 0.480 55.355 54.840 0.059 0.000 0.851 222 L CB -0.647 41.440 42.059 0.047 0.000 0.959 222 L HN 0.383 nan 8.230 nan 0.000 0.451 223 A N -0.269 122.617 122.820 0.111 0.000 2.016 223 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 223 A C 2.285 180.022 177.584 0.255 0.000 1.162 223 A CA 0.839 52.998 52.037 0.204 0.000 0.662 223 A CB -0.377 18.712 19.000 0.149 0.000 0.812 223 A HN 0.174 nan 8.150 nan 0.000 0.450 224 V N 0.271 120.284 119.914 0.164 0.000 2.332 224 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 224 V C 2.592 178.752 176.094 0.109 0.000 1.055 224 V CA 2.476 64.865 62.300 0.147 0.000 1.038 224 V CB -0.687 31.204 31.823 0.115 0.000 0.651 224 V HN 0.764 nan 8.190 nan 0.000 0.450 225 E N 1.055 121.307 120.200 0.088 0.000 2.051 225 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 225 E C 2.126 178.737 176.600 0.018 0.000 0.991 225 E CA 1.782 58.213 56.400 0.052 0.000 0.799 225 E CB -0.587 29.146 29.700 0.055 0.000 0.748 225 E HN 0.480 nan 8.360 nan 0.000 0.449 226 A N 0.255 123.095 122.820 0.034 0.000 1.978 226 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 226 A C 2.633 180.073 177.584 -0.240 0.000 1.170 226 A CA 1.611 53.615 52.037 -0.055 0.000 0.636 226 A CB -1.396 17.625 19.000 0.035 0.000 0.810 226 A HN 0.579 nan 8.150 nan 0.000 0.448 227 C N -1.094 118.124 119.300 -0.138 0.000 2.425 227 C HA -0.037 4.423 4.460 -0.001 0.000 0.277 227 C C 2.689 177.586 174.990 -0.155 0.000 1.280 227 C CA 1.296 60.188 59.018 -0.210 0.000 1.744 227 C CB -1.358 26.475 27.740 0.155 0.000 1.989 227 C HN 0.429 nan 8.230 nan 0.000 0.491 228 V N 1.514 121.381 119.914 -0.078 0.000 2.358 228 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 228 V C 2.109 178.147 176.094 -0.093 0.000 1.047 228 V CA 2.598 64.857 62.300 -0.068 0.000 1.035 228 V CB -1.006 30.797 31.823 -0.033 0.000 0.658 228 V HN 0.615 nan 8.190 nan 0.000 0.452 229 N N 0.187 118.825 118.700 -0.104 0.000 2.084 229 N HA -0.126 4.613 4.740 -0.001 0.000 0.190 229 N C 1.838 177.260 175.510 -0.147 0.000 1.030 229 N CA 1.512 54.498 53.050 -0.106 0.000 0.849 229 N CB -0.217 38.215 38.487 -0.091 0.000 1.012 229 N HN 0.399 nan 8.380 nan 0.000 0.423 230 I N 0.951 121.382 120.570 -0.232 0.000 2.315 230 I HA -0.195 3.974 4.170 -0.001 0.000 0.248 230 I C 2.403 178.410 176.117 -0.183 0.000 1.117 230 I CA 0.593 61.737 61.300 -0.260 0.000 1.404 230 I CB -0.342 37.379 38.000 -0.465 0.000 1.071 230 I HN 0.179 nan 8.210 nan 0.000 0.419 231 A N 0.296 123.020 122.820 -0.161 0.000 1.969 231 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 231 A C 2.222 179.757 177.584 -0.082 0.000 1.169 231 A CA 1.221 53.196 52.037 -0.103 0.000 0.635 231 A CB -0.463 18.487 19.000 -0.083 0.000 0.810 231 A HN 0.471 nan 8.150 nan 0.000 0.445 232 Q N -0.656 119.094 119.800 -0.083 0.000 2.291 232 Q HA 0.044 4.384 4.340 -0.001 0.000 0.205 232 Q C 1.613 177.575 176.000 -0.063 0.000 0.970 232 Q CA 0.895 56.659 55.803 -0.066 0.000 0.876 232 Q CB -0.175 28.527 28.738 -0.059 0.000 0.935 232 Q HN 0.655 nan 8.270 nan 0.000 0.455 233 L N 0.001 121.178 121.223 -0.077 0.000 2.446 233 L HA 0.116 4.456 4.340 -0.001 0.000 0.219 233 L C 0.564 177.395 176.870 -0.065 0.000 1.116 233 L CA 0.042 54.839 54.840 -0.073 0.000 0.844 233 L CB 0.267 42.271 42.059 -0.092 0.000 0.970 233 L HN 0.100 nan 8.230 nan 0.000 0.457 234 L N 0.122 121.306 121.223 -0.064 0.000 2.352 234 L HA 0.428 4.767 4.340 -0.001 0.000 0.269 234 L C -2.100 174.746 176.870 -0.040 0.000 1.034 234 L CA -1.965 52.844 54.840 -0.051 0.000 0.806 234 L CB 0.724 42.753 42.059 -0.050 0.000 1.244 234 L HN -0.185 nan 8.230 nan 0.000 0.447 235 P HA 0.122 nan 4.420 nan 0.000 0.281 235 P C -0.258 177.028 177.300 -0.023 0.000 1.249 235 P CA -0.540 62.544 63.100 -0.026 0.000 0.810 235 P CB 1.157 32.844 31.700 -0.021 0.000 1.008 236 Q N 1.368 121.155 119.800 -0.022 0.000 2.156 236 Q HA -0.230 4.109 4.340 -0.001 0.000 0.211 236 Q C 1.559 177.551 176.000 -0.014 0.000 0.995 236 Q CA 2.159 57.950 55.803 -0.020 0.000 0.877 236 Q CB -0.474 28.253 28.738 -0.019 0.000 0.920 236 Q HN 0.582 nan 8.270 nan 0.000 0.416 237 E N 0.547 120.740 120.200 -0.012 0.000 2.265 237 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 237 E C 1.279 177.876 176.600 -0.005 0.000 0.996 237 E CA 1.154 57.550 56.400 -0.008 0.000 0.832 237 E CB -0.073 29.622 29.700 -0.007 0.000 0.756 237 E HN 0.366 nan 8.360 nan 0.000 0.491 238 D N -0.340 120.056 120.400 -0.007 0.000 2.346 238 D HA 0.057 4.696 4.640 -0.001 0.000 0.206 238 D C 1.825 178.126 176.300 0.002 0.000 1.001 238 D CA 0.110 54.108 54.000 -0.003 0.000 0.871 238 D CB 0.107 40.903 40.800 -0.008 0.000 0.943 238 D HN 0.182 nan 8.370 nan 0.000 0.518 239 L N 0.904 122.126 121.223 -0.002 0.000 1.971 239 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 239 L C 2.523 179.404 176.870 0.018 0.000 1.072 239 L CA 1.359 56.201 54.840 0.004 0.000 0.758 239 L CB -0.510 41.545 42.059 -0.006 0.000 0.889 239 L HN -0.028 nan 8.230 nan 0.000 0.433 240 E N 0.418 120.626 120.200 0.013 0.000 2.097 240 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 240 E C 1.954 178.568 176.600 0.024 0.000 1.000 240 E CA 1.894 58.304 56.400 0.018 0.000 0.804 240 E CB -0.094 29.613 29.700 0.013 0.000 0.740 240 E HN 0.436 nan 8.360 nan 0.000 0.454 241 A N -0.799 122.033 122.820 0.021 0.000 2.044 241 A HA 0.156 4.475 4.320 -0.001 0.000 0.213 241 A C 2.021 179.626 177.584 0.035 0.000 1.169 241 A CA 0.589 52.641 52.037 0.024 0.000 0.724 241 A CB -0.017 18.994 19.000 0.017 0.000 0.840 241 A HN 0.288 nan 8.150 nan 0.000 0.463 242 L N -1.453 119.795 121.223 0.043 0.000 2.556 242 L HA 0.129 4.469 4.340 -0.001 0.000 0.226 242 L C 1.627 178.570 176.870 0.122 0.000 1.089 242 L CA 0.185 55.066 54.840 0.067 0.000 0.864 242 L CB 0.583 42.670 42.059 0.046 0.000 1.067 242 L HN 0.192 nan 8.230 nan 0.000 0.477 243 V N -1.891 118.087 119.914 0.107 0.000 3.058 243 V HA 0.012 4.131 4.120 -0.001 0.000 0.233 243 V C 2.138 178.313 176.094 0.136 0.000 1.255 243 V CA 0.159 62.561 62.300 0.169 0.000 1.267 243 V CB 0.215 32.095 31.823 0.094 0.000 1.049 243 V HN 0.111 nan 8.190 nan 0.000 0.486 244 M N 0.348 119.994 119.600 0.076 0.000 2.108 244 M HA -0.152 4.328 4.480 -0.001 0.000 0.257 244 M C -0.138 176.193 176.300 0.052 0.000 1.071 244 M CA 2.170 57.504 55.300 0.057 0.000 1.093 244 M CB -2.527 30.096 32.600 0.038 0.000 1.345 244 M HN 0.235 nan 8.290 nan 0.000 0.403 245 P HA -0.101 nan 4.420 nan 0.000 0.215 245 P C 1.588 178.889 177.300 0.002 0.000 1.157 245 P CA 1.608 64.720 63.100 0.020 0.000 0.868 245 P CB -0.218 31.488 31.700 0.011 0.000 0.788 246 T N -0.258 114.291 114.554 -0.009 0.000 2.821 246 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 246 T C 1.679 176.374 174.700 -0.008 0.000 1.046 246 T CA 0.847 62.892 62.100 -0.090 0.000 1.139 246 T CB -0.907 67.776 68.868 -0.308 0.000 0.871 246 T HN -0.016 nan 8.240 nan 0.000 0.454 247 L N 1.501 122.771 121.223 0.078 0.000 2.046 247 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 247 L C 2.412 179.322 176.870 0.066 0.000 1.077 247 L CA 1.708 56.605 54.840 0.094 0.000 0.747 247 L CB -0.462 41.653 42.059 0.093 0.000 0.896 247 L HN 0.064 nan 8.230 nan 0.000 0.432 248 R N -0.834 119.698 120.500 0.052 0.000 2.096 248 R HA -0.208 4.132 4.340 -0.001 0.000 0.235 248 R C 2.281 178.603 176.300 0.037 0.000 1.127 248 R CA 1.602 57.732 56.100 0.050 0.000 0.968 248 R CB -0.473 29.851 30.300 0.040 0.000 0.861 248 R HN 0.616 nan 8.270 nan 0.000 0.440 249 Q N 0.552 120.361 119.800 0.014 0.000 2.167 249 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 249 Q C 1.884 177.889 176.000 0.008 0.000 0.970 249 Q CA 1.497 57.299 55.803 -0.002 0.000 0.855 249 Q CB 0.018 28.735 28.738 -0.036 0.000 0.911 249 Q HN 0.359 nan 8.270 nan 0.000 0.438 250 A N 0.748 123.581 122.820 0.022 0.000 1.898 250 A HA 0.057 4.376 4.320 -0.001 0.000 0.214 250 A C 2.300 179.923 177.584 0.066 0.000 1.183 250 A CA 1.229 53.290 52.037 0.040 0.000 0.622 250 A CB -0.834 18.202 19.000 0.060 0.000 0.824 250 A HN 0.529 nan 8.150 nan 0.000 0.444 251 A N -0.356 122.513 122.820 0.082 0.000 1.978 251 A HA -0.140 4.180 4.320 -0.001 0.000 0.220 251 A C 1.686 179.314 177.584 0.074 0.000 1.170 251 A CA 1.572 53.669 52.037 0.100 0.000 0.636 251 A CB -0.323 18.751 19.000 0.124 0.000 0.810 251 A HN 0.595 nan 8.150 nan 0.000 0.448 252 E N 0.001 120.234 120.200 0.055 0.000 2.499 252 E HA 0.036 4.385 4.350 -0.001 0.000 0.199 252 E C -0.571 176.050 176.600 0.036 0.000 1.016 252 E CA -0.427 55.998 56.400 0.042 0.000 0.933 252 E CB 0.170 29.889 29.700 0.032 0.000 1.050 252 E HN 0.528 nan 8.360 nan 0.000 0.462 253 D N 1.110 121.533 120.400 0.038 0.000 2.443 253 D HA -0.057 4.583 4.640 -0.001 0.000 0.239 253 D C 0.949 177.269 176.300 0.035 0.000 1.136 253 D CA 0.262 54.277 54.000 0.025 0.000 0.879 253 D CB 1.173 41.985 40.800 0.020 0.000 1.195 253 D HN -0.185 nan 8.370 nan 0.000 0.443 254 K N 0.969 121.382 120.400 0.021 0.000 2.209 254 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 254 K C 0.627 177.252 176.600 0.042 0.000 1.048 254 K CA 0.339 56.644 56.287 0.030 0.000 0.940 254 K CB -0.256 32.253 32.500 0.014 0.000 0.729 254 K HN 0.244 nan 8.250 nan 0.000 0.451 255 S N 0.882 116.587 115.700 0.008 0.000 2.474 255 S HA 0.040 4.510 4.470 -0.001 0.000 0.276 255 S C 1.177 175.788 174.600 0.017 0.000 1.227 255 S CA -0.799 57.377 58.200 -0.040 0.000 1.050 255 S CB 0.064 63.188 63.200 -0.126 0.000 0.939 255 S HN 0.453 nan 8.310 nan 0.000 0.490 256 W N 6.318 127.630 121.300 0.020 0.000 2.421 256 W HA -0.099 4.560 4.660 -0.001 0.000 0.270 256 W C 1.095 177.659 176.519 0.074 0.000 1.233 256 W CA 0.216 57.585 57.345 0.040 0.000 1.226 256 W CB -0.556 28.919 29.460 0.025 0.000 1.121 256 W HN 0.710 nan 8.180 nan 0.000 0.579 257 R N 0.953 121.123 120.500 -0.550 0.000 2.115 257 R HA -0.086 4.253 4.340 -0.001 0.000 0.230 257 R C 2.351 178.609 176.300 -0.070 0.000 1.111 257 R CA 1.676 57.444 56.100 -0.553 0.000 0.976 257 R CB -0.601 29.235 30.300 -0.774 0.000 0.870 257 R HN 0.124 nan 8.270 nan 0.000 0.445 258 V N 1.125 121.015 119.914 -0.041 0.000 2.323 258 V HA -0.191 3.928 4.120 -0.001 0.000 0.244 258 V C 2.275 178.440 176.094 0.119 0.000 1.041 258 V CA 1.599 63.921 62.300 0.037 0.000 1.025 258 V CB -0.469 31.361 31.823 0.011 0.000 0.656 258 V HN 0.283 nan 8.190 nan 0.000 0.451 259 R N -0.898 119.692 120.500 0.151 0.000 2.096 259 R HA -0.201 4.139 4.340 -0.001 0.000 0.235 259 R C 2.314 178.743 176.300 0.214 0.000 1.127 259 R CA 1.947 58.150 56.100 0.172 0.000 0.968 259 R CB -0.659 29.745 30.300 0.173 0.000 0.861 259 R HN 0.617 nan 8.270 nan 0.000 0.440 260 Y N 1.481 121.895 120.300 0.190 0.000 2.128 260 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 260 Y C 2.346 178.336 175.900 0.150 0.000 1.154 260 Y CA 1.621 59.847 58.100 0.211 0.000 1.149 260 Y CB -0.060 38.595 38.460 0.326 0.000 0.976 260 Y HN -0.103 nan 8.280 nan 0.000 0.505 261 M N -0.744 119.019 119.600 0.272 0.000 2.149 261 M HA -0.204 4.275 4.480 -0.001 0.000 0.261 261 M C 2.174 178.535 176.300 0.103 0.000 1.064 261 M CA 1.204 56.604 55.300 0.168 0.000 1.102 261 M CB -1.440 31.256 32.600 0.160 0.000 1.369 261 M HN 0.249 nan 8.290 nan 0.000 0.408 262 V N 0.481 120.471 119.914 0.127 0.000 2.295 262 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 262 V C 2.697 178.926 176.094 0.225 0.000 1.049 262 V CA 1.905 64.309 62.300 0.173 0.000 1.024 262 V CB -1.364 30.577 31.823 0.197 0.000 0.648 262 V HN 0.499 nan 8.190 nan 0.000 0.447 263 A N -0.039 122.845 122.820 0.107 0.000 1.902 263 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 263 A C 2.030 179.624 177.584 0.017 0.000 1.181 263 A CA 2.052 54.113 52.037 0.040 0.000 0.623 263 A CB -0.712 18.220 19.000 -0.113 0.000 0.818 263 A HN 0.591 nan 8.150 nan 0.000 0.443 264 D N -0.891 119.438 120.400 -0.120 0.000 2.263 264 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 264 D C 1.305 177.624 176.300 0.032 0.000 0.971 264 D CA 1.137 55.072 54.000 -0.107 0.000 0.867 264 D CB -0.021 40.681 40.800 -0.164 0.000 0.929 264 D HN 0.449 nan 8.370 nan 0.000 0.492 265 K N -1.200 119.252 120.400 0.087 0.000 2.564 265 K HA 0.111 4.430 4.320 -0.001 0.000 0.205 265 K C 0.528 177.197 176.600 0.116 0.000 1.053 265 K CA -0.411 55.929 56.287 0.088 0.000 1.072 265 K CB 0.248 32.787 32.500 0.064 0.000 0.822 265 K HN 0.025 nan 8.250 nan 0.000 0.497 266 F N 2.084 122.039 119.950 0.008 0.000 2.161 266 F HA -0.271 4.256 4.527 -0.001 0.000 0.300 266 F C 2.391 178.205 175.800 0.022 0.000 1.089 266 F CA 2.100 60.104 58.000 0.006 0.000 1.282 266 F CB -0.161 38.818 39.000 -0.034 0.000 1.010 266 F HN 0.119 nan 8.300 nan 0.000 0.485 267 T N -2.555 112.090 114.554 0.152 0.000 2.777 267 T HA -0.189 4.161 4.350 -0.001 0.000 0.266 267 T C 1.738 176.440 174.700 0.003 0.000 1.040 267 T CA 1.570 63.720 62.100 0.084 0.000 1.141 267 T CB -0.627 68.292 68.868 0.085 0.000 0.868 267 T HN 0.334 nan 8.240 nan 0.000 0.444 268 E N 1.254 121.454 120.200 -0.001 0.000 2.106 268 E HA 0.059 4.409 4.350 -0.001 0.000 0.192 268 E C 2.223 178.786 176.600 -0.062 0.000 0.984 268 E CA 0.808 57.194 56.400 -0.024 0.000 0.806 268 E CB -0.417 29.278 29.700 -0.009 0.000 0.750 268 E HN 0.420 nan 8.360 nan 0.000 0.458 269 L N 0.846 122.009 121.223 -0.099 0.000 2.046 269 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 269 L C 2.787 179.547 176.870 -0.184 0.000 1.077 269 L CA 1.329 56.074 54.840 -0.158 0.000 0.747 269 L CB -0.357 41.551 42.059 -0.251 0.000 0.896 269 L HN 0.214 nan 8.230 nan 0.000 0.432 270 Q N 0.507 120.181 119.800 -0.209 0.000 2.002 270 Q HA -0.269 4.070 4.340 -0.001 0.000 0.204 270 Q C 2.207 178.148 176.000 -0.097 0.000 0.988 270 Q CA 1.957 57.671 55.803 -0.149 0.000 0.843 270 Q CB 0.066 28.765 28.738 -0.065 0.000 0.908 270 Q HN 0.410 nan 8.270 nan 0.000 0.420 271 K N -0.181 120.174 120.400 -0.075 0.000 2.057 271 K HA -0.124 4.196 4.320 -0.001 0.000 0.207 271 K C 2.070 178.634 176.600 -0.060 0.000 1.049 271 K CA 1.171 57.421 56.287 -0.061 0.000 0.931 271 K CB -0.213 32.260 32.500 -0.045 0.000 0.714 271 K HN 0.253 nan 8.250 nan 0.000 0.440 272 A N 0.849 123.630 122.820 -0.064 0.000 1.969 272 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 272 A C 2.248 179.796 177.584 -0.060 0.000 1.169 272 A CA 1.273 53.274 52.037 -0.061 0.000 0.635 272 A CB -0.391 18.570 19.000 -0.064 0.000 0.810 272 A HN 0.163 nan 8.150 nan 0.000 0.445 273 V N -1.251 118.622 119.914 -0.068 0.000 3.052 273 V HA 0.388 4.507 4.120 -0.001 0.000 0.254 273 V C 1.110 177.176 176.094 -0.048 0.000 1.100 273 V CA 1.413 63.679 62.300 -0.057 0.000 1.112 273 V CB -0.758 31.027 31.823 -0.064 0.000 0.738 273 V HN 1.374 nan 8.190 nan 0.000 0.469 274 G N 0.321 109.088 108.800 -0.054 0.000 2.712 274 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.686 274 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.686 274 G C -1.420 173.451 174.900 -0.049 0.000 1.321 274 G CA -0.147 44.924 45.100 -0.049 0.000 0.813 274 G HN 0.199 nan 8.290 nan 0.000 0.599 275 P HA -0.134 nan 4.420 nan 0.000 0.216 275 P C 1.310 178.589 177.300 -0.035 0.000 1.150 275 P CA 1.955 65.021 63.100 -0.056 0.000 0.837 275 P CB 0.118 31.782 31.700 -0.059 0.000 0.786 276 E N -0.008 120.177 120.200 -0.025 0.000 2.031 276 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 276 E C 2.315 178.914 176.600 -0.002 0.000 0.994 276 E CA 1.055 57.448 56.400 -0.012 0.000 0.800 276 E CB -0.506 29.188 29.700 -0.010 0.000 0.752 276 E HN 0.272 nan 8.360 nan 0.000 0.447 277 I N 1.066 121.633 120.570 -0.005 0.000 2.315 277 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 277 I C 2.381 178.509 176.117 0.019 0.000 1.117 277 I CA 0.931 62.234 61.300 0.006 0.000 1.404 277 I CB -0.403 37.595 38.000 -0.004 0.000 1.071 277 I HN 0.108 nan 8.210 nan 0.000 0.419 278 T N 0.904 115.461 114.554 0.005 0.000 2.699 278 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 278 T C 1.931 176.684 174.700 0.089 0.000 1.036 278 T CA 1.398 63.518 62.100 0.033 0.000 1.147 278 T CB -0.124 68.726 68.868 -0.030 0.000 0.862 278 T HN 0.333 nan 8.240 nan 0.000 0.446 279 K N 0.247 120.675 120.400 0.046 0.000 2.025 279 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 279 K C 2.646 179.295 176.600 0.081 0.000 1.049 279 K CA 1.416 57.739 56.287 0.061 0.000 0.933 279 K CB -0.322 32.192 32.500 0.025 0.000 0.714 279 K HN 0.235 nan 8.250 nan 0.000 0.438 280 T N 1.158 115.749 114.554 0.061 0.000 2.812 280 T HA -0.082 4.267 4.350 -0.001 0.000 0.264 280 T C 1.257 176.003 174.700 0.077 0.000 1.042 280 T CA 1.295 63.430 62.100 0.059 0.000 1.140 280 T CB -0.019 68.872 68.868 0.039 0.000 0.870 280 T HN 0.202 nan 8.240 nan 0.000 0.445 281 D N 0.331 120.782 120.400 0.085 0.000 2.725 281 D HA 0.210 4.850 4.640 -0.001 0.000 0.269 281 D C 2.276 178.672 176.300 0.160 0.000 1.018 281 D CA 0.270 54.329 54.000 0.099 0.000 0.956 281 D CB 0.047 40.889 40.800 0.069 0.000 1.141 281 D HN 0.237 nan 8.370 nan 0.000 0.478 282 L N 1.266 122.599 121.223 0.183 0.000 2.046 282 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 282 L C 2.632 179.790 176.870 0.480 0.000 1.077 282 L CA 0.696 55.734 54.840 0.330 0.000 0.747 282 L CB -0.472 41.714 42.059 0.212 0.000 0.896 282 L HN -0.090 nan 8.230 nan 0.000 0.432 283 V N 0.343 120.516 119.914 0.432 0.000 2.287 283 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 283 V C -0.106 176.151 176.094 0.272 0.000 1.053 283 V CA 2.154 64.715 62.300 0.435 0.000 1.027 283 V CB -1.439 30.575 31.823 0.317 0.000 0.646 283 V HN 0.341 nan 8.190 nan 0.000 0.447 284 P HA -0.055 nan 4.420 nan 0.000 0.216 284 P C 1.698 179.064 177.300 0.110 0.000 1.153 284 P CA 1.725 64.900 63.100 0.125 0.000 0.844 284 P CB -0.151 31.609 31.700 0.100 0.000 0.787 285 A N -0.996 121.925 122.820 0.168 0.000 1.940 285 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 285 A C 2.087 179.706 177.584 0.060 0.000 1.176 285 A CA 1.387 53.521 52.037 0.163 0.000 0.631 285 A CB -1.865 17.314 19.000 0.298 0.000 0.814 285 A HN 0.104 nan 8.150 nan 0.000 0.446 286 F N 0.776 120.611 119.950 -0.191 0.000 2.171 286 F HA -0.160 4.366 4.527 -0.001 0.000 0.300 286 F C 2.459 178.045 175.800 -0.357 0.000 1.090 286 F CA 1.913 59.549 58.000 -0.607 0.000 1.293 286 F CB -0.541 37.900 39.000 -0.933 0.000 1.013 286 F HN 0.348 nan 8.300 nan 0.000 0.486 287 Q N -0.222 119.471 119.800 -0.177 0.000 2.084 287 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 287 Q C 2.014 177.885 176.000 -0.214 0.000 0.978 287 Q CA 1.534 57.216 55.803 -0.202 0.000 0.844 287 Q CB -0.345 28.359 28.738 -0.056 0.000 0.898 287 Q HN 0.413 nan 8.270 nan 0.000 0.426 288 N N 0.561 119.174 118.700 -0.145 0.000 2.120 288 N HA -0.113 4.626 4.740 -0.001 0.000 0.188 288 N C 1.892 177.303 175.510 -0.166 0.000 1.024 288 N CA 1.013 53.995 53.050 -0.114 0.000 0.852 288 N CB -0.166 38.292 38.487 -0.048 0.000 1.003 288 N HN 0.220 nan 8.380 nan 0.000 0.424 289 L N 0.741 121.821 121.223 -0.238 0.000 2.046 289 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 289 L C 2.392 179.068 176.870 -0.324 0.000 1.077 289 L CA 0.973 55.656 54.840 -0.262 0.000 0.747 289 L CB -0.363 41.497 42.059 -0.332 0.000 0.896 289 L HN 0.134 nan 8.230 nan 0.000 0.432 290 M N -0.591 118.719 119.600 -0.484 0.000 2.446 290 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 290 M C 1.001 177.150 176.300 -0.252 0.000 1.066 290 M CA 1.554 56.597 55.300 -0.429 0.000 1.087 290 M CB -0.087 32.193 32.600 -0.532 0.000 1.406 290 M HN 0.132 nan 8.290 nan 0.000 0.459 291 K N -0.148 120.129 120.400 -0.204 0.000 2.618 291 K HA 0.134 4.454 4.320 -0.001 0.000 0.207 291 K C -0.275 176.263 176.600 -0.103 0.000 1.058 291 K CA -0.205 56.002 56.287 -0.134 0.000 1.086 291 K CB 0.397 32.830 32.500 -0.111 0.000 0.827 291 K HN 0.171 nan 8.250 nan 0.000 0.481 292 D N 0.599 120.934 120.400 -0.108 0.000 2.382 292 D HA -0.052 4.587 4.640 -0.001 0.000 0.240 292 D C 1.329 177.588 176.300 -0.068 0.000 1.146 292 D CA -0.044 53.914 54.000 -0.070 0.000 0.897 292 D CB 1.188 41.955 40.800 -0.055 0.000 1.197 292 D HN 0.335 nan 8.370 nan 0.000 0.432 293 C N 1.678 120.949 119.300 -0.049 0.000 2.448 293 C HA 0.165 4.624 4.460 -0.001 0.000 0.280 293 C C 0.705 175.640 174.990 -0.093 0.000 1.398 293 C CA -0.401 58.583 59.018 -0.056 0.000 1.774 293 C CB -0.446 27.275 27.740 -0.032 0.000 1.888 293 C HN 0.396 nan 8.230 nan 0.000 0.519 294 E N 0.846 120.974 120.200 -0.121 0.000 2.197 294 E HA 0.465 4.814 4.350 -0.001 0.000 0.281 294 E C 0.922 177.384 176.600 -0.231 0.000 0.995 294 E CA 0.410 56.661 56.400 -0.247 0.000 0.808 294 E CB 1.663 31.116 29.700 -0.412 0.000 1.093 294 E HN 0.436 nan 8.360 nan 0.000 0.394 295 A N 3.764 126.440 122.820 -0.240 0.000 1.969 295 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 295 A C 1.735 179.219 177.584 -0.167 0.000 1.169 295 A CA 1.377 53.312 52.037 -0.170 0.000 0.635 295 A CB -0.174 18.750 19.000 -0.127 0.000 0.810 295 A HN 0.531 nan 8.150 nan 0.000 0.445 296 E N -0.293 119.731 120.200 -0.294 0.000 2.077 296 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 296 E C 1.937 178.604 176.600 0.112 0.000 0.989 296 E CA 1.425 57.721 56.400 -0.174 0.000 0.800 296 E CB -0.386 29.012 29.700 -0.504 0.000 0.746 296 E HN 0.368 nan 8.360 nan 0.000 0.452 297 V N 0.894 120.849 119.914 0.068 0.000 2.358 297 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 297 V C 2.166 178.247 176.094 -0.022 0.000 1.047 297 V CA 1.757 64.131 62.300 0.123 0.000 1.035 297 V CB -0.454 31.433 31.823 0.107 0.000 0.658 297 V HN 0.198 nan 8.190 nan 0.000 0.452 298 R N 0.242 120.699 120.500 -0.071 0.000 2.105 298 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 298 R C 2.413 178.649 176.300 -0.106 0.000 1.135 298 R CA 1.509 57.538 56.100 -0.118 0.000 0.967 298 R CB -0.568 29.663 30.300 -0.116 0.000 0.861 298 R HN 0.552 nan 8.270 nan 0.000 0.442 299 A N 1.248 124.037 122.820 -0.053 0.000 1.898 299 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 299 A C 2.394 179.966 177.584 -0.020 0.000 1.181 299 A CA 1.450 53.459 52.037 -0.046 0.000 0.620 299 A CB -0.538 18.480 19.000 0.029 0.000 0.819 299 A HN 0.368 nan 8.150 nan 0.000 0.442 300 A N 0.059 122.902 122.820 0.037 0.000 1.883 300 A HA 0.101 4.421 4.320 -0.001 0.000 0.217 300 A C 2.509 180.087 177.584 -0.009 0.000 1.186 300 A CA 2.283 54.316 52.037 -0.005 0.000 0.624 300 A CB -1.077 17.715 19.000 -0.347 0.000 0.822 300 A HN 1.092 nan 8.150 nan 0.000 0.444 301 A N -0.721 122.045 122.820 -0.090 0.000 1.933 301 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 301 A C 2.412 179.967 177.584 -0.049 0.000 1.175 301 A CA 1.983 53.950 52.037 -0.116 0.000 0.628 301 A CB -0.817 17.948 19.000 -0.392 0.000 0.814 301 A HN 0.455 nan 8.150 nan 0.000 0.444 302 S N -0.779 114.858 115.700 -0.104 0.000 2.370 302 S HA -0.169 4.301 4.470 -0.001 0.000 0.226 302 S C 1.875 176.469 174.600 -0.009 0.000 1.033 302 S CA 1.231 59.375 58.200 -0.094 0.000 1.011 302 S CB -0.558 62.536 63.200 -0.176 0.000 0.852 302 S HN 0.702 nan 8.310 nan 0.000 0.457 303 H N 1.175 120.274 119.070 0.048 0.000 2.456 303 H HA 0.070 4.625 4.556 -0.001 0.000 0.296 303 H C 1.653 177.035 175.328 0.091 0.000 1.079 303 H CA 0.987 57.072 56.048 0.063 0.000 1.322 303 H CB 0.062 29.854 29.762 0.050 0.000 1.388 303 H HN 0.207 nan 8.280 nan 0.000 0.538 304 K N 0.632 121.180 120.400 0.247 0.000 2.426 304 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 304 K C 2.152 178.895 176.600 0.237 0.000 1.028 304 K CA -0.024 56.393 56.287 0.217 0.000 1.047 304 K CB 0.000 32.616 32.500 0.194 0.000 0.821 304 K HN 0.065 nan 8.250 nan 0.000 0.513 305 V N 2.070 122.166 119.914 0.303 0.000 2.231 305 V HA -0.327 3.792 4.120 -0.001 0.000 0.250 305 V C 2.610 178.839 176.094 0.225 0.000 1.058 305 V CA 2.093 64.586 62.300 0.322 0.000 1.022 305 V CB -0.351 31.606 31.823 0.224 0.000 0.640 305 V HN 0.391 nan 8.190 nan 0.000 0.445 306 K N -0.412 120.082 120.400 0.157 0.000 2.057 306 K HA -0.219 4.100 4.320 -0.001 0.000 0.206 306 K C 2.138 178.791 176.600 0.090 0.000 1.050 306 K CA 1.963 58.315 56.287 0.110 0.000 0.935 306 K CB -0.163 32.387 32.500 0.084 0.000 0.715 306 K HN 0.587 nan 8.250 nan 0.000 0.439 307 E N -0.273 119.987 120.200 0.099 0.000 2.077 307 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 307 E C 1.841 178.481 176.600 0.067 0.000 0.989 307 E CA 1.313 57.757 56.400 0.073 0.000 0.800 307 E CB -0.203 29.548 29.700 0.084 0.000 0.746 307 E HN 0.275 nan 8.360 nan 0.000 0.452 308 F N 0.927 120.826 119.950 -0.086 0.000 2.102 308 F HA -0.253 4.274 4.527 -0.001 0.000 0.298 308 F C 2.177 177.916 175.800 -0.101 0.000 1.105 308 F CA 1.222 59.121 58.000 -0.168 0.000 1.239 308 F CB -0.433 38.270 39.000 -0.494 0.000 0.991 308 F HN 0.050 nan 8.300 nan 0.000 0.474 309 C N 0.036 119.318 119.300 -0.030 0.000 2.440 309 C HA -0.145 4.315 4.460 -0.001 0.000 0.278 309 C C 2.697 177.612 174.990 -0.125 0.000 1.295 309 C CA 1.209 60.170 59.018 -0.095 0.000 1.738 309 C CB -1.220 26.549 27.740 0.048 0.000 1.987 309 C HN 0.560 nan 8.230 nan 0.000 0.492 310 E N 0.874 121.030 120.200 -0.073 0.000 2.153 310 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 310 E C 1.333 177.873 176.600 -0.099 0.000 0.988 310 E CA 0.821 57.183 56.400 -0.062 0.000 0.811 310 E CB -0.014 29.669 29.700 -0.027 0.000 0.746 310 E HN 0.604 nan 8.360 nan 0.000 0.466 311 N N 0.080 118.689 118.700 -0.152 0.000 2.322 311 N HA 0.062 4.801 4.740 -0.001 0.000 0.194 311 N C -0.173 175.202 175.510 -0.224 0.000 1.126 311 N CA 0.140 53.091 53.050 -0.164 0.000 0.845 311 N CB 0.418 38.818 38.487 -0.144 0.000 0.976 311 N HN 0.142 nan 8.380 nan 0.000 0.475 312 L N 1.380 122.438 121.223 -0.276 0.000 2.452 312 L HA 0.098 4.437 4.340 -0.001 0.000 0.267 312 L C 0.981 177.761 176.870 -0.151 0.000 1.188 312 L CA -0.430 54.251 54.840 -0.265 0.000 0.821 312 L CB 0.485 42.377 42.059 -0.279 0.000 1.102 312 L HN 0.075 nan 8.230 nan 0.000 0.470 313 S N 1.287 116.915 115.700 -0.119 0.000 2.552 313 S HA 0.076 4.546 4.470 -0.001 0.000 0.289 313 S C 1.100 175.661 174.600 -0.065 0.000 1.304 313 S CA -0.219 57.934 58.200 -0.079 0.000 1.063 313 S CB 1.266 64.430 63.200 -0.061 0.000 0.848 313 S HN 0.726 nan 8.310 nan 0.000 0.499 314 A N 2.038 124.827 122.820 -0.052 0.000 2.186 314 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 314 A C 1.740 179.304 177.584 -0.033 0.000 1.159 314 A CA 1.730 53.743 52.037 -0.041 0.000 0.680 314 A CB -0.959 18.021 19.000 -0.033 0.000 0.787 314 A HN 1.000 nan 8.150 nan 0.000 0.467 315 D N -0.543 119.836 120.400 -0.033 0.000 2.097 315 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 315 D C 1.936 178.222 176.300 -0.023 0.000 0.984 315 D CA 2.061 56.046 54.000 -0.026 0.000 0.826 315 D CB -0.253 40.532 40.800 -0.025 0.000 0.973 315 D HN 0.550 nan 8.370 nan 0.000 0.460 316 C N -1.450 117.832 119.300 -0.030 0.000 2.935 316 C HA 0.494 4.954 4.460 -0.001 0.000 0.308 316 C C 2.257 177.230 174.990 -0.028 0.000 1.263 316 C CA -0.401 58.603 59.018 -0.023 0.000 1.738 316 C CB -0.720 27.008 27.740 -0.021 0.000 2.237 316 C HN 0.196 nan 8.230 nan 0.000 0.600 317 R N 1.637 122.110 120.500 -0.045 0.000 2.593 317 R HA -0.360 3.980 4.340 -0.001 0.000 0.185 317 R C 2.121 178.404 176.300 -0.028 0.000 0.915 317 R CA 2.810 58.880 56.100 -0.051 0.000 0.597 317 R CB -0.958 29.311 30.300 -0.051 0.000 0.781 317 R HN 0.707 nan 8.270 nan 0.000 0.352 318 E N -0.436 119.751 120.200 -0.021 0.000 2.208 318 E HA -0.275 4.075 4.350 -0.001 0.000 0.202 318 E C 1.692 178.286 176.600 -0.011 0.000 1.014 318 E CA 1.804 58.197 56.400 -0.013 0.000 0.819 318 E CB -0.083 29.611 29.700 -0.010 0.000 0.735 318 E HN 0.418 nan 8.360 nan 0.000 0.469 319 N N 0.157 118.851 118.700 -0.009 0.000 2.039 319 N HA -0.170 4.570 4.740 -0.001 0.000 0.193 319 N C 2.158 177.670 175.510 0.003 0.000 1.044 319 N CA 1.816 54.862 53.050 -0.005 0.000 0.847 319 N CB -0.754 37.731 38.487 -0.003 0.000 1.030 319 N HN 0.267 nan 8.380 nan 0.000 0.422 320 V N 0.224 120.145 119.914 0.012 0.000 2.427 320 V HA -0.099 4.020 4.120 -0.001 0.000 0.248 320 V C 2.178 178.302 176.094 0.049 0.000 1.051 320 V CA 1.059 63.382 62.300 0.037 0.000 1.048 320 V CB -0.672 31.183 31.823 0.052 0.000 0.666 320 V HN 0.141 nan 8.190 nan 0.000 0.456 321 I N -0.674 119.917 120.570 0.035 0.000 2.099 321 I HA -0.236 3.933 4.170 -0.001 0.000 0.239 321 I C 2.733 178.858 176.117 0.013 0.000 1.066 321 I CA 2.491 63.817 61.300 0.044 0.000 1.324 321 I CB -0.391 37.624 38.000 0.026 0.000 1.037 321 I HN 0.333 nan 8.210 nan 0.000 0.401 322 M N 0.115 119.702 119.600 -0.022 0.000 2.080 322 M HA -0.214 4.266 4.480 -0.001 0.000 0.260 322 M C 2.516 178.779 176.300 -0.062 0.000 1.068 322 M CA 1.876 57.130 55.300 -0.077 0.000 1.109 322 M CB -0.604 31.942 32.600 -0.089 0.000 1.342 322 M HN 0.182 nan 8.290 nan 0.000 0.405 323 S N -1.446 114.239 115.700 -0.024 0.000 2.439 323 S HA -0.033 4.436 4.470 -0.001 0.000 0.224 323 S C 1.744 176.350 174.600 0.010 0.000 1.029 323 S CA 0.685 58.879 58.200 -0.010 0.000 0.946 323 S CB 0.091 63.291 63.200 -0.000 0.000 0.797 323 S HN 0.475 nan 8.310 nan 0.000 0.504 324 Q N -0.093 119.727 119.800 0.033 0.000 2.499 324 Q HA 0.277 4.617 4.340 -0.001 0.000 0.213 324 Q C 1.963 178.002 176.000 0.065 0.000 0.929 324 Q CA 0.551 56.388 55.803 0.057 0.000 0.904 324 Q CB -0.532 28.262 28.738 0.094 0.000 1.052 324 Q HN 0.467 nan 8.270 nan 0.000 0.589 325 I N 1.157 121.785 120.570 0.096 0.000 2.277 325 I HA -0.153 4.016 4.170 -0.001 0.000 0.243 325 I C 2.271 178.421 176.117 0.056 0.000 1.094 325 I CA 0.533 61.900 61.300 0.112 0.000 1.393 325 I CB -0.778 37.344 38.000 0.203 0.000 1.078 325 I HN 0.082 nan 8.210 nan 0.000 0.417 326 L N 1.659 122.903 121.223 0.035 0.000 2.010 326 L HA -0.191 4.148 4.340 -0.001 0.000 0.219 326 L C -0.499 176.373 176.870 0.004 0.000 1.077 326 L CA 2.576 57.423 54.840 0.011 0.000 0.773 326 L CB -1.875 40.162 42.059 -0.036 0.000 0.892 326 L HN 0.139 nan 8.230 nan 0.000 0.436 327 P HA -0.136 nan 4.420 nan 0.000 0.215 327 P C 1.974 179.265 177.300 -0.015 0.000 1.153 327 P CA 1.935 65.030 63.100 -0.007 0.000 0.853 327 P CB -0.216 31.479 31.700 -0.009 0.000 0.788 328 C N -1.369 117.917 119.300 -0.023 0.000 2.440 328 C HA -0.061 4.398 4.460 -0.001 0.000 0.278 328 C C 2.646 177.603 174.990 -0.054 0.000 1.295 328 C CA 0.464 59.449 59.018 -0.054 0.000 1.738 328 C CB -1.699 25.988 27.740 -0.088 0.000 1.987 328 C HN 0.196 nan 8.230 nan 0.000 0.492 329 I N 0.824 121.378 120.570 -0.026 0.000 2.286 329 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 329 I C 2.500 178.611 176.117 -0.010 0.000 1.115 329 I CA 1.459 62.750 61.300 -0.015 0.000 1.392 329 I CB -0.420 37.592 38.000 0.021 0.000 1.065 329 I HN 0.403 nan 8.210 nan 0.000 0.418 330 K N 0.695 121.094 120.400 -0.001 0.000 2.063 330 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 330 K C 1.944 178.537 176.600 -0.011 0.000 1.048 330 K CA 1.518 57.808 56.287 0.005 0.000 0.928 330 K CB -0.140 32.368 32.500 0.013 0.000 0.713 330 K HN 0.403 nan 8.250 nan 0.000 0.442 331 E N 0.783 120.969 120.200 -0.024 0.000 2.106 331 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 331 E C 1.997 178.572 176.600 -0.042 0.000 0.984 331 E CA 0.701 57.081 56.400 -0.033 0.000 0.806 331 E CB -0.041 29.635 29.700 -0.041 0.000 0.750 331 E HN 0.217 nan 8.360 nan 0.000 0.458 332 L N 0.637 121.829 121.223 -0.053 0.000 2.191 332 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 332 L C 2.325 179.167 176.870 -0.047 0.000 1.103 332 L CA 0.448 55.251 54.840 -0.062 0.000 0.769 332 L CB -0.261 41.751 42.059 -0.079 0.000 0.908 332 L HN 0.043 nan 8.230 nan 0.000 0.438 333 V N -1.187 118.708 119.914 -0.032 0.000 2.594 333 V HA -0.237 3.883 4.120 -0.001 0.000 0.253 333 V C 1.969 178.045 176.094 -0.030 0.000 1.069 333 V CA 1.851 64.136 62.300 -0.025 0.000 1.082 333 V CB -0.268 31.549 31.823 -0.010 0.000 0.680 333 V HN 0.374 nan 8.190 nan 0.000 0.469 334 S N -1.363 114.319 115.700 -0.030 0.000 2.597 334 S HA 0.086 4.556 4.470 -0.001 0.000 0.224 334 S C 0.602 175.180 174.600 -0.036 0.000 0.955 334 S CA -0.324 57.858 58.200 -0.030 0.000 0.933 334 S CB -0.344 62.842 63.200 -0.025 0.000 0.788 334 S HN 0.623 nan 8.310 nan 0.000 0.488 335 D N 1.621 121.995 120.400 -0.043 0.000 2.449 335 D HA 0.074 4.714 4.640 -0.001 0.000 0.236 335 D C 1.081 177.355 176.300 -0.043 0.000 1.149 335 D CA 0.153 54.124 54.000 -0.047 0.000 0.878 335 D CB 1.020 41.787 40.800 -0.055 0.000 1.198 335 D HN 0.247 nan 8.370 nan 0.000 0.446 336 A N 3.954 126.749 122.820 -0.041 0.000 2.119 336 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 336 A C 1.078 178.640 177.584 -0.037 0.000 1.152 336 A CA 0.440 52.455 52.037 -0.037 0.000 0.708 336 A CB -0.130 18.849 19.000 -0.035 0.000 0.805 336 A HN 0.650 nan 8.150 nan 0.000 0.460 337 N N -0.457 118.223 118.700 -0.034 0.000 2.479 337 N HA 0.251 4.990 4.740 -0.001 0.000 0.285 337 N C 0.826 176.313 175.510 -0.038 0.000 1.075 337 N CA -0.243 52.796 53.050 -0.019 0.000 0.967 337 N CB 0.734 39.226 38.487 0.008 0.000 1.137 337 N HN 0.275 nan 8.380 nan 0.000 0.472 338 Q N 1.168 120.919 119.800 -0.083 0.000 2.119 338 Q HA -0.170 4.170 4.340 -0.001 0.000 0.201 338 Q C 0.778 176.680 176.000 -0.162 0.000 0.972 338 Q CA 1.455 57.168 55.803 -0.149 0.000 0.847 338 Q CB -0.102 28.504 28.738 -0.220 0.000 0.903 338 Q HN 0.748 nan 8.270 nan 0.000 0.433 339 H N -0.341 118.708 119.070 -0.035 0.000 2.353 339 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 339 H C 2.161 177.450 175.328 -0.065 0.000 1.090 339 H CA 1.384 57.415 56.048 -0.028 0.000 1.327 339 H CB -0.084 29.671 29.762 -0.011 0.000 1.383 339 H HN -0.026 nan 8.280 nan 0.000 0.508 340 V N 1.141 121.081 119.914 0.045 0.000 2.261 340 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 340 V C 2.084 178.134 176.094 -0.074 0.000 1.047 340 V CA 1.960 64.237 62.300 -0.039 0.000 1.015 340 V CB -0.357 31.438 31.823 -0.047 0.000 0.642 340 V HN 0.421 nan 8.190 nan 0.000 0.446 341 K N -0.021 120.343 120.400 -0.060 0.000 2.147 341 K HA -0.134 4.186 4.320 -0.001 0.000 0.205 341 K C 2.385 178.947 176.600 -0.063 0.000 1.049 341 K CA 1.675 57.925 56.287 -0.062 0.000 0.936 341 K CB -0.297 32.169 32.500 -0.057 0.000 0.722 341 K HN 0.401 nan 8.250 nan 0.000 0.446 342 S N 1.061 116.724 115.700 -0.061 0.000 2.355 342 S HA -0.119 4.351 4.470 -0.001 0.000 0.222 342 S C 2.206 176.771 174.600 -0.059 0.000 1.031 342 S CA 1.142 59.317 58.200 -0.041 0.000 0.993 342 S CB -0.236 62.952 63.200 -0.019 0.000 0.859 342 S HN 0.432 nan 8.310 nan 0.000 0.453 343 A N 1.464 124.187 122.820 -0.161 0.000 1.917 343 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 343 A C 2.144 179.559 177.584 -0.281 0.000 1.182 343 A CA 1.585 53.321 52.037 -0.501 0.000 0.633 343 A CB -0.764 17.685 19.000 -0.917 0.000 0.819 343 A HN 0.412 nan 8.150 nan 0.000 0.448 344 L N -0.375 120.750 121.223 -0.164 0.000 2.027 344 L HA 0.011 4.351 4.340 -0.001 0.000 0.206 344 L C 2.635 179.494 176.870 -0.018 0.000 1.074 344 L CA 2.191 56.987 54.840 -0.074 0.000 0.745 344 L CB -0.785 41.239 42.059 -0.059 0.000 0.898 344 L HN 0.322 nan 8.230 nan 0.000 0.433 345 A N -1.070 121.739 122.820 -0.019 0.000 2.070 345 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 345 A C 2.344 179.946 177.584 0.030 0.000 1.159 345 A CA 1.571 53.612 52.037 0.007 0.000 0.656 345 A CB -0.939 18.053 19.000 -0.014 0.000 0.800 345 A HN 0.665 nan 8.150 nan 0.000 0.453 346 S N -0.889 114.836 115.700 0.043 0.000 2.562 346 S HA 0.075 4.544 4.470 -0.001 0.000 0.221 346 S C 1.258 175.909 174.600 0.086 0.000 0.975 346 S CA 0.993 59.238 58.200 0.075 0.000 0.918 346 S CB -0.209 63.068 63.200 0.128 0.000 0.772 346 S HN 1.120 nan 8.310 nan 0.000 0.531 347 V N -2.792 117.171 119.914 0.081 0.000 3.368 347 V HA 0.429 4.549 4.120 -0.001 0.000 0.255 347 V C 1.713 177.851 176.094 0.072 0.000 1.466 347 V CA 0.029 62.380 62.300 0.085 0.000 1.095 347 V CB -0.771 31.119 31.823 0.112 0.000 0.899 347 V HN 0.339 nan 8.190 nan 0.000 0.440 348 I N 0.487 121.097 120.570 0.067 0.000 2.236 348 I HA -0.245 3.924 4.170 -0.001 0.000 0.249 348 I C 2.326 178.483 176.117 0.067 0.000 1.102 348 I CA 2.045 63.387 61.300 0.069 0.000 1.365 348 I CB 0.128 38.169 38.000 0.068 0.000 1.051 348 I HN 0.277 nan 8.210 nan 0.000 0.420 349 M N -0.000 119.639 119.600 0.066 0.000 2.619 349 M HA 0.036 4.516 4.480 -0.001 0.000 0.251 349 M C 2.071 178.379 176.300 0.014 0.000 1.106 349 M CA 0.842 56.163 55.300 0.034 0.000 1.086 349 M CB -1.582 31.035 32.600 0.027 0.000 1.465 349 M HN 0.299 nan 8.290 nan 0.000 0.506 350 G N -0.138 108.679 108.800 0.029 0.000 2.559 350 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.216 350 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.216 350 G C 1.524 176.436 174.900 0.021 0.000 1.126 350 G CA 0.263 45.377 45.100 0.023 0.000 0.778 350 G HN 0.440 nan 8.290 nan 0.000 0.543 351 L N 0.535 121.775 121.223 0.028 0.000 2.418 351 L HA 0.021 4.361 4.340 -0.001 0.000 0.218 351 L C 2.932 179.810 176.870 0.012 0.000 1.125 351 L CA 0.321 55.177 54.840 0.028 0.000 0.835 351 L CB -0.167 41.918 42.059 0.045 0.000 0.953 351 L HN 0.101 nan 8.230 nan 0.000 0.454 352 S N 1.111 116.809 115.700 -0.003 0.000 2.369 352 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 352 S C -0.419 174.172 174.600 -0.014 0.000 1.043 352 S CA 1.912 60.101 58.200 -0.019 0.000 1.074 352 S CB -1.445 61.724 63.200 -0.051 0.000 0.962 352 S HN 0.380 nan 8.310 nan 0.000 0.433 353 P HA 0.020 nan 4.420 nan 0.000 0.225 353 P C 1.062 178.356 177.300 -0.009 0.000 1.148 353 P CA 0.932 64.023 63.100 -0.014 0.000 0.779 353 P CB -0.229 31.463 31.700 -0.014 0.000 0.780 354 I N -1.259 119.308 120.570 -0.004 0.000 2.852 354 I HA -0.041 4.129 4.170 -0.001 0.000 0.264 354 I C 2.294 178.411 176.117 -0.000 0.000 1.179 354 I CA 0.697 61.995 61.300 -0.004 0.000 1.480 354 I CB -0.191 37.808 38.000 -0.001 0.000 1.111 354 I HN -0.141 nan 8.210 nan 0.000 0.441 355 L N 0.286 121.513 121.223 0.007 0.000 2.513 355 L HA 0.324 4.663 4.340 -0.001 0.000 0.222 355 L C 0.945 177.825 176.870 0.015 0.000 1.096 355 L CA 0.165 55.014 54.840 0.015 0.000 0.857 355 L CB -0.242 41.835 42.059 0.030 0.000 1.026 355 L HN 0.387 nan 8.230 nan 0.000 0.469 356 G N 0.799 109.603 108.800 0.005 0.000 2.699 356 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.686 356 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.686 356 G C 0.213 175.113 174.900 0.000 0.000 1.301 356 G CA 0.079 45.180 45.100 0.002 0.000 0.816 356 G HN 0.121 nan 8.290 nan 0.000 0.595 357 K N -0.363 120.033 120.400 -0.007 0.000 2.009 357 K HA -0.150 4.170 4.320 -0.001 0.000 0.210 357 K C 1.986 178.581 176.600 -0.010 0.000 1.049 357 K CA 2.248 58.526 56.287 -0.015 0.000 0.929 357 K CB -0.251 32.239 32.500 -0.016 0.000 0.714 357 K HN 0.544 nan 8.250 nan 0.000 0.440 358 D N 0.474 120.874 120.400 -0.000 0.000 2.104 358 D HA -0.171 4.469 4.640 -0.001 0.000 0.194 358 D C 1.723 178.031 176.300 0.013 0.000 0.994 358 D CA 1.077 55.078 54.000 0.002 0.000 0.830 358 D CB -0.337 40.469 40.800 0.010 0.000 0.959 358 D HN 0.322 nan 8.370 nan 0.000 0.452 359 N N 0.238 118.970 118.700 0.055 0.000 2.216 359 N HA -0.078 4.661 4.740 -0.001 0.000 0.183 359 N C 1.872 177.441 175.510 0.098 0.000 1.017 359 N CA 0.787 53.922 53.050 0.141 0.000 0.861 359 N CB -0.473 38.108 38.487 0.157 0.000 0.986 359 N HN 0.140 nan 8.380 nan 0.000 0.428 360 T N 2.206 116.782 114.554 0.037 0.000 2.622 360 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 360 T C 2.140 176.827 174.700 -0.021 0.000 1.047 360 T CA 0.861 62.964 62.100 0.005 0.000 1.159 360 T CB -0.256 68.592 68.868 -0.033 0.000 0.863 360 T HN 0.157 nan 8.240 nan 0.000 0.422 361 I N 0.636 121.182 120.570 -0.039 0.000 2.208 361 I HA -0.162 4.008 4.170 -0.001 0.000 0.245 361 I C 2.889 178.960 176.117 -0.077 0.000 1.097 361 I CA 1.248 62.516 61.300 -0.053 0.000 1.363 361 I CB -0.294 37.678 38.000 -0.048 0.000 1.051 361 I HN 0.222 nan 8.210 nan 0.000 0.413 362 E N 0.278 120.402 120.200 -0.127 0.000 2.015 362 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 362 E C 2.045 178.390 176.600 -0.425 0.000 0.991 362 E CA 1.456 57.668 56.400 -0.314 0.000 0.802 362 E CB -0.003 29.431 29.700 -0.442 0.000 0.759 362 E HN 0.595 nan 8.360 nan 0.000 0.447 363 H N -1.126 117.952 119.070 0.013 0.000 2.729 363 H HA 0.185 4.741 4.556 -0.001 0.000 0.263 363 H C 2.177 177.522 175.328 0.029 0.000 0.961 363 H CA 0.097 56.157 56.048 0.020 0.000 1.217 363 H CB 0.723 30.495 29.762 0.018 0.000 1.447 363 H HN 0.091 nan 8.280 nan 0.000 0.496 364 L N -0.013 121.277 121.223 0.112 0.000 2.200 364 L HA -0.063 4.276 4.340 -0.001 0.000 0.200 364 L C 2.159 179.091 176.870 0.103 0.000 1.072 364 L CA 0.155 55.050 54.840 0.092 0.000 0.787 364 L CB -0.151 41.938 42.059 0.050 0.000 0.957 364 L HN 0.084 nan 8.230 nan 0.000 0.459 365 L N 0.766 122.024 121.223 0.059 0.000 2.051 365 L HA -0.183 4.157 4.340 -0.001 0.000 0.214 365 L C -0.268 176.723 176.870 0.203 0.000 1.076 365 L CA 2.428 57.339 54.840 0.119 0.000 0.758 365 L CB -1.952 40.133 42.059 0.045 0.000 0.890 365 L HN 0.115 nan 8.230 nan 0.000 0.433 366 P HA -0.139 nan 4.420 nan 0.000 0.217 366 P C 2.087 179.443 177.300 0.094 0.000 1.150 366 P CA 1.225 64.379 63.100 0.090 0.000 0.832 366 P CB 0.047 31.779 31.700 0.054 0.000 0.787 367 L N -2.559 118.731 121.223 0.112 0.000 2.072 367 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 367 L C 2.401 179.338 176.870 0.112 0.000 1.079 367 L CA 1.129 56.025 54.840 0.092 0.000 0.752 367 L CB -1.056 41.058 42.059 0.092 0.000 0.906 367 L HN -0.053 nan 8.230 nan 0.000 0.436 368 F N 1.371 121.324 119.950 0.004 0.000 2.091 368 F HA -0.256 4.270 4.527 -0.001 0.000 0.299 368 F C 2.185 177.983 175.800 -0.003 0.000 1.103 368 F CA 1.681 59.679 58.000 -0.003 0.000 1.228 368 F CB -0.306 38.692 39.000 -0.004 0.000 0.984 368 F HN -0.129 nan 8.300 nan 0.000 0.477 369 L N -0.147 121.028 121.223 -0.080 0.000 2.093 369 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 369 L C 2.832 179.612 176.870 -0.150 0.000 1.085 369 L CA 1.002 55.725 54.840 -0.196 0.000 0.755 369 L CB -1.270 40.782 42.059 -0.012 0.000 0.904 369 L HN 0.293 nan 8.230 nan 0.000 0.435 370 A N -0.321 122.457 122.820 -0.071 0.000 1.877 370 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 370 A C 2.239 179.775 177.584 -0.080 0.000 1.186 370 A CA 1.566 53.570 52.037 -0.054 0.000 0.620 370 A CB -0.469 18.518 19.000 -0.021 0.000 0.822 370 A HN 0.459 nan 8.150 nan 0.000 0.443 371 Q N -1.295 118.447 119.800 -0.097 0.000 2.119 371 Q HA -0.113 4.227 4.340 -0.001 0.000 0.201 371 Q C 2.024 177.938 176.000 -0.143 0.000 0.972 371 Q CA 1.251 56.994 55.803 -0.100 0.000 0.847 371 Q CB -0.277 28.416 28.738 -0.076 0.000 0.903 371 Q HN 0.570 nan 8.270 nan 0.000 0.433 372 L N 1.136 122.210 121.223 -0.247 0.000 2.191 372 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 372 L C 1.323 178.114 176.870 -0.132 0.000 1.103 372 L CA 1.757 56.440 54.840 -0.262 0.000 0.769 372 L CB 0.007 41.783 42.059 -0.470 0.000 0.908 372 L HN -0.056 nan 8.230 nan 0.000 0.438 373 K N -0.443 119.893 120.400 -0.107 0.000 2.387 373 K HA 0.058 4.377 4.320 -0.001 0.000 0.198 373 K C 0.126 176.702 176.600 -0.040 0.000 1.022 373 K CA -0.164 56.091 56.287 -0.055 0.000 1.128 373 K CB 0.011 32.483 32.500 -0.047 0.000 0.853 373 K HN 0.358 nan 8.250 nan 0.000 0.523 374 D N 1.066 121.437 120.400 -0.048 0.000 2.362 374 D HA -0.051 4.588 4.640 -0.001 0.000 0.238 374 D C 1.138 177.419 176.300 -0.031 0.000 1.212 374 D CA 0.308 54.284 54.000 -0.040 0.000 0.902 374 D CB 0.878 41.650 40.800 -0.047 0.000 1.180 374 D HN -0.063 nan 8.370 nan 0.000 0.445 375 E N 0.525 120.704 120.200 -0.034 0.000 2.158 375 E HA -0.060 4.290 4.350 -0.001 0.000 0.191 375 E C 0.367 176.944 176.600 -0.039 0.000 0.982 375 E CA 0.212 56.590 56.400 -0.036 0.000 0.823 375 E CB -0.140 29.536 29.700 -0.039 0.000 0.766 375 E HN 0.355 nan 8.360 nan 0.000 0.468 376 C N 2.762 122.036 119.300 -0.043 0.000 2.624 376 C HA 0.128 4.588 4.460 -0.001 0.000 0.397 376 C C -1.214 173.760 174.990 -0.026 0.000 1.331 376 C CA -1.654 57.337 59.018 -0.046 0.000 1.716 376 C CB 0.118 27.821 27.740 -0.062 0.000 2.452 376 C HN 0.089 nan 8.230 nan 0.000 0.586 377 P HA -0.151 nan 4.420 nan 0.000 0.216 377 P C 1.461 178.778 177.300 0.028 0.000 1.150 377 P CA 1.311 64.422 63.100 0.019 0.000 0.837 377 P CB 0.038 31.740 31.700 0.003 0.000 0.786 378 E N -0.417 119.783 120.200 -0.001 0.000 2.077 378 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 378 E C 1.806 178.400 176.600 -0.010 0.000 0.989 378 E CA 1.005 57.405 56.400 -0.001 0.000 0.800 378 E CB -0.271 29.418 29.700 -0.017 0.000 0.746 378 E HN -0.042 nan 8.360 nan 0.000 0.452 379 V N 1.971 121.869 119.914 -0.026 0.000 2.233 379 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 379 V C 2.631 178.697 176.094 -0.046 0.000 1.050 379 V CA 2.455 64.733 62.300 -0.037 0.000 1.010 379 V CB -0.754 31.041 31.823 -0.046 0.000 0.637 379 V HN 0.393 nan 8.190 nan 0.000 0.444 380 R N 0.480 120.956 120.500 -0.040 0.000 2.120 380 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 380 R C 2.209 178.422 176.300 -0.144 0.000 1.123 380 R CA 1.873 57.929 56.100 -0.072 0.000 0.975 380 R CB -0.690 29.609 30.300 -0.002 0.000 0.866 380 R HN 0.435 nan 8.270 nan 0.000 0.446 381 L N 1.930 123.105 121.223 -0.079 0.000 2.046 381 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 381 L C 1.329 178.126 176.870 -0.122 0.000 1.077 381 L CA 1.787 56.546 54.840 -0.134 0.000 0.747 381 L CB -0.697 41.379 42.059 0.028 0.000 0.896 381 L HN 0.181 nan 8.230 nan 0.000 0.432 382 N N -0.123 118.541 118.700 -0.058 0.000 2.223 382 N HA -0.144 4.596 4.740 -0.001 0.000 0.185 382 N C 1.832 177.322 175.510 -0.033 0.000 1.016 382 N CA 1.543 54.577 53.050 -0.027 0.000 0.863 382 N CB -0.242 38.246 38.487 0.002 0.000 0.983 382 N HN 0.329 nan 8.380 nan 0.000 0.429 383 I N 1.106 121.639 120.570 -0.061 0.000 2.163 383 I HA -0.165 4.004 4.170 -0.001 0.000 0.240 383 I C 2.061 178.158 176.117 -0.033 0.000 1.081 383 I CA 0.755 62.040 61.300 -0.026 0.000 1.353 383 I CB -0.800 37.132 38.000 -0.114 0.000 1.054 383 I HN 0.036 nan 8.210 nan 0.000 0.407 384 I N 0.916 121.381 120.570 -0.175 0.000 2.194 384 I HA -0.250 3.919 4.170 -0.001 0.000 0.246 384 I C 2.383 178.427 176.117 -0.121 0.000 1.093 384 I CA 1.412 62.578 61.300 -0.224 0.000 1.355 384 I CB -1.199 36.438 38.000 -0.606 0.000 1.046 384 I HN 0.164 nan 8.210 nan 0.000 0.413 385 S N 0.914 116.553 115.700 -0.100 0.000 2.603 385 S HA 0.000 4.470 4.470 -0.001 0.000 0.229 385 S C 0.914 175.507 174.600 -0.012 0.000 0.972 385 S CA 0.425 58.600 58.200 -0.041 0.000 0.935 385 S CB -0.285 62.901 63.200 -0.023 0.000 0.769 385 S HN 0.447 nan 8.310 nan 0.000 0.536 386 N N 0.888 119.587 118.700 -0.001 0.000 2.610 386 N HA 0.284 5.023 4.740 -0.001 0.000 0.307 386 N C 0.197 175.711 175.510 0.007 0.000 1.813 386 N CA 0.021 53.077 53.050 0.011 0.000 0.901 386 N CB 0.709 39.212 38.487 0.026 0.000 1.354 386 N HN 0.286 nan 8.380 nan 0.000 0.491 387 L N -0.392 120.823 121.223 -0.013 0.000 2.341 387 L HA -0.005 4.335 4.340 -0.001 0.000 0.214 387 L C 1.555 178.380 176.870 -0.075 0.000 1.115 387 L CA 0.600 55.411 54.840 -0.049 0.000 0.820 387 L CB -0.091 41.924 42.059 -0.075 0.000 0.944 387 L HN 0.046 nan 8.230 nan 0.000 0.452 388 D N 0.421 120.792 120.400 -0.049 0.000 2.177 388 D HA -0.271 4.369 4.640 -0.001 0.000 0.189 388 D C 2.186 178.456 176.300 -0.050 0.000 1.002 388 D CA 1.889 55.863 54.000 -0.043 0.000 0.845 388 D CB -0.469 40.318 40.800 -0.022 0.000 0.960 388 D HN 0.374 nan 8.370 nan 0.000 0.447 389 C N 0.685 119.960 119.300 -0.043 0.000 2.401 389 C HA -0.128 4.331 4.460 -0.001 0.000 0.276 389 C C 3.087 178.036 174.990 -0.067 0.000 1.233 389 C CA 0.583 59.575 59.018 -0.043 0.000 1.753 389 C CB -0.875 26.848 27.740 -0.029 0.000 2.029 389 C HN 0.213 nan 8.230 nan 0.000 0.478 390 V N 0.732 120.583 119.914 -0.105 0.000 2.323 390 V HA -0.210 3.910 4.120 -0.001 0.000 0.244 390 V C 2.243 178.259 176.094 -0.129 0.000 1.041 390 V CA 2.195 64.404 62.300 -0.151 0.000 1.025 390 V CB -1.047 30.609 31.823 -0.278 0.000 0.656 390 V HN 0.624 nan 8.190 nan 0.000 0.451 391 N N 0.403 119.029 118.700 -0.122 0.000 2.094 391 N HA -0.260 4.479 4.740 -0.001 0.000 0.191 391 N C 1.862 177.333 175.510 -0.065 0.000 1.023 391 N CA 1.853 54.844 53.050 -0.097 0.000 0.857 391 N CB -0.012 38.419 38.487 -0.093 0.000 1.013 391 N HN 0.641 nan 8.380 nan 0.000 0.426 392 E N -0.172 119.996 120.200 -0.054 0.000 2.153 392 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 392 E C 2.035 178.613 176.600 -0.037 0.000 0.988 392 E CA 0.820 57.198 56.400 -0.037 0.000 0.811 392 E CB 0.210 29.892 29.700 -0.029 0.000 0.746 392 E HN 0.252 nan 8.360 nan 0.000 0.466 393 V N 1.894 121.780 119.914 -0.047 0.000 2.331 393 V HA -0.037 4.083 4.120 -0.001 0.000 0.242 393 V C 1.469 177.537 176.094 -0.043 0.000 1.034 393 V CA 1.024 63.298 62.300 -0.043 0.000 1.027 393 V CB -0.276 31.519 31.823 -0.048 0.000 0.667 393 V HN 0.235 nan 8.190 nan 0.000 0.457 394 I N -1.243 119.292 120.570 -0.059 0.000 3.062 394 I HA 0.778 4.948 4.170 -0.001 0.000 0.316 394 I C 0.634 176.724 176.117 -0.046 0.000 1.041 394 I CA -0.559 60.709 61.300 -0.053 0.000 1.069 394 I CB 1.087 39.044 38.000 -0.071 0.000 1.300 394 I HN 0.138 nan 8.210 nan 0.000 0.518 395 G N 0.995 109.776 108.800 -0.032 0.000 2.599 395 G HA2 0.250 4.209 3.960 -0.001 0.000 0.264 395 G HA3 0.250 4.209 3.960 -0.001 0.000 0.264 395 G C 0.330 175.219 174.900 -0.019 0.000 1.200 395 G CA -0.434 44.654 45.100 -0.020 0.000 0.896 395 G HN 0.790 nan 8.290 nan 0.000 0.536 396 I N 0.082 120.651 120.570 -0.002 0.000 2.394 396 I HA -0.095 4.074 4.170 -0.001 0.000 0.251 396 I C 2.788 178.935 176.117 0.049 0.000 1.136 396 I CA 1.321 62.630 61.300 0.016 0.000 1.425 396 I CB -0.232 37.796 38.000 0.045 0.000 1.079 396 I HN 0.707 nan 8.210 nan 0.000 0.425 397 R N -0.354 120.170 120.500 0.040 0.000 2.075 397 R HA -0.087 4.252 4.340 -0.001 0.000 0.232 397 R C 2.020 178.341 176.300 0.035 0.000 1.126 397 R CA 1.100 57.227 56.100 0.045 0.000 0.963 397 R CB -1.005 29.312 30.300 0.028 0.000 0.858 397 R HN 0.304 nan 8.270 nan 0.000 0.435 398 Q N 0.794 120.602 119.800 0.012 0.000 2.119 398 Q HA -0.085 4.254 4.340 -0.001 0.000 0.201 398 Q C 2.128 178.128 176.000 0.000 0.000 0.972 398 Q CA 1.119 56.923 55.803 0.001 0.000 0.847 398 Q CB -0.248 28.479 28.738 -0.017 0.000 0.903 398 Q HN 0.325 nan 8.270 nan 0.000 0.433 399 L N 0.359 121.573 121.223 -0.014 0.000 2.027 399 L HA -0.091 4.249 4.340 -0.001 0.000 0.206 399 L C 2.382 179.285 176.870 0.055 0.000 1.074 399 L CA 2.089 56.908 54.840 -0.035 0.000 0.745 399 L CB -1.045 40.957 42.059 -0.096 0.000 0.898 399 L HN 0.092 nan 8.230 nan 0.000 0.433 400 S N -1.090 114.679 115.700 0.115 0.000 2.368 400 S HA -0.303 4.167 4.470 -0.001 0.000 0.225 400 S C 2.100 176.790 174.600 0.149 0.000 1.030 400 S CA 1.643 59.985 58.200 0.235 0.000 0.999 400 S CB -0.417 62.956 63.200 0.289 0.000 0.844 400 S HN 0.678 nan 8.310 nan 0.000 0.459 401 Q N -0.025 119.829 119.800 0.090 0.000 2.234 401 Q HA -0.108 4.231 4.340 -0.001 0.000 0.206 401 Q C 2.104 178.147 176.000 0.072 0.000 0.980 401 Q CA 1.722 57.562 55.803 0.062 0.000 0.869 401 Q CB -0.282 28.479 28.738 0.038 0.000 0.912 401 Q HN 0.622 nan 8.270 nan 0.000 0.436 402 S N -0.943 114.813 115.700 0.093 0.000 2.427 402 S HA -0.028 4.442 4.470 -0.001 0.000 0.224 402 S C 1.626 176.334 174.600 0.181 0.000 1.047 402 S CA 0.334 58.607 58.200 0.122 0.000 0.953 402 S CB -0.066 63.206 63.200 0.120 0.000 0.824 402 S HN 0.432 nan 8.310 nan 0.000 0.502 403 L N 1.583 122.941 121.223 0.226 0.000 2.095 403 L HA 0.254 4.594 4.340 -0.001 0.000 0.204 403 L C 2.076 179.064 176.870 0.196 0.000 1.080 403 L CA 1.392 56.390 54.840 0.263 0.000 0.759 403 L CB -0.900 41.341 42.059 0.303 0.000 0.914 403 L HN 0.379 nan 8.230 nan 0.000 0.439 404 L N 0.573 121.911 121.223 0.191 0.000 1.997 404 L HA -0.145 4.195 4.340 -0.001 0.000 0.216 404 L C -0.473 176.436 176.870 0.066 0.000 1.074 404 L CA 2.337 57.248 54.840 0.118 0.000 0.763 404 L CB -1.915 40.174 42.059 0.051 0.000 0.890 404 L HN 0.197 nan 8.230 nan 0.000 0.434 405 P HA -0.152 nan 4.420 nan 0.000 0.216 405 P C 1.478 178.801 177.300 0.040 0.000 1.150 405 P CA 2.015 65.136 63.100 0.035 0.000 0.837 405 P CB -0.180 31.541 31.700 0.035 0.000 0.786 406 A N -1.027 121.824 122.820 0.052 0.000 1.929 406 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 406 A C 2.192 179.814 177.584 0.063 0.000 1.176 406 A CA 1.137 53.197 52.037 0.039 0.000 0.628 406 A CB -1.478 17.526 19.000 0.008 0.000 0.816 406 A HN 0.094 nan 8.150 nan 0.000 0.444 407 I N -0.493 120.133 120.570 0.093 0.000 2.179 407 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 407 I C 2.382 178.561 176.117 0.103 0.000 1.088 407 I CA 1.056 62.437 61.300 0.134 0.000 1.357 407 I CB -0.352 37.751 38.000 0.172 0.000 1.051 407 I HN 0.150 nan 8.210 nan 0.000 0.409 408 V N 0.878 120.822 119.914 0.050 0.000 2.231 408 V HA -0.392 3.728 4.120 -0.001 0.000 0.250 408 V C 2.509 178.626 176.094 0.037 0.000 1.058 408 V CA 2.497 64.803 62.300 0.011 0.000 1.022 408 V CB -0.728 31.087 31.823 -0.014 0.000 0.640 408 V HN 0.519 nan 8.190 nan 0.000 0.445 409 E N -0.328 119.896 120.200 0.040 0.000 2.097 409 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 409 E C 2.170 178.810 176.600 0.066 0.000 1.000 409 E CA 1.717 58.143 56.400 0.043 0.000 0.804 409 E CB -0.170 29.550 29.700 0.032 0.000 0.740 409 E HN 0.588 nan 8.360 nan 0.000 0.454 410 L N -0.005 121.269 121.223 0.085 0.000 2.109 410 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 410 L C 2.571 179.532 176.870 0.151 0.000 1.086 410 L CA 0.740 55.642 54.840 0.102 0.000 0.760 410 L CB -0.341 41.788 42.059 0.117 0.000 0.910 410 L HN 0.203 nan 8.230 nan 0.000 0.437 411 A N 0.516 123.458 122.820 0.205 0.000 2.070 411 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 411 A C 1.723 179.509 177.584 0.338 0.000 1.159 411 A CA 1.616 53.876 52.037 0.371 0.000 0.656 411 A CB -0.430 18.735 19.000 0.275 0.000 0.800 411 A HN 0.647 nan 8.150 nan 0.000 0.453 412 E N -0.363 119.944 120.200 0.178 0.000 2.685 412 E HA 0.133 4.482 4.350 -0.001 0.000 0.208 412 E C -0.537 176.139 176.600 0.126 0.000 0.996 412 E CA -0.630 55.861 56.400 0.151 0.000 1.054 412 E CB -0.119 29.628 29.700 0.079 0.000 1.075 412 E HN 0.449 nan 8.360 nan 0.000 0.460 413 D N 0.829 121.302 120.400 0.121 0.000 2.419 413 D HA -0.012 4.628 4.640 -0.001 0.000 0.236 413 D C 0.868 177.224 176.300 0.094 0.000 1.165 413 D CA 0.650 54.700 54.000 0.082 0.000 0.882 413 D CB 1.405 42.237 40.800 0.053 0.000 1.201 413 D HN 0.256 nan 8.370 nan 0.000 0.443 414 A N 3.853 126.717 122.820 0.073 0.000 2.066 414 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 414 A C 0.846 178.488 177.584 0.096 0.000 1.157 414 A CA 0.973 53.065 52.037 0.092 0.000 0.670 414 A CB 0.072 19.113 19.000 0.068 0.000 0.804 414 A HN 0.510 nan 8.150 nan 0.000 0.453 415 K N 0.977 121.397 120.400 0.033 0.000 2.258 415 K HA 0.146 4.465 4.320 -0.001 0.000 0.284 415 K C 0.830 177.402 176.600 -0.046 0.000 1.051 415 K CA -0.422 55.835 56.287 -0.049 0.000 0.923 415 K CB 0.679 33.094 32.500 -0.142 0.000 1.046 415 K HN 0.656 nan 8.250 nan 0.000 0.474 416 W N 4.584 125.880 121.300 -0.006 0.000 2.465 416 W HA -0.124 4.536 4.660 -0.001 0.000 0.268 416 W C 0.702 177.182 176.519 -0.066 0.000 1.242 416 W CA 0.365 57.683 57.345 -0.045 0.000 1.248 416 W CB -0.385 29.029 29.460 -0.076 0.000 1.118 416 W HN 0.512 nan 8.180 nan 0.000 0.587 417 R N 1.030 121.004 120.500 -0.876 0.000 2.105 417 R HA -0.121 4.219 4.340 -0.001 0.000 0.239 417 R C 2.335 178.453 176.300 -0.304 0.000 1.135 417 R CA 1.949 57.594 56.100 -0.757 0.000 0.967 417 R CB -0.736 29.099 30.300 -0.774 0.000 0.861 417 R HN 0.146 nan 8.270 nan 0.000 0.442 418 V N 1.005 120.784 119.914 -0.224 0.000 2.283 418 V HA -0.196 3.924 4.120 -0.001 0.000 0.243 418 V C 2.353 178.384 176.094 -0.105 0.000 1.039 418 V CA 1.547 63.768 62.300 -0.130 0.000 1.016 418 V CB -0.511 31.267 31.823 -0.076 0.000 0.650 418 V HN 0.288 nan 8.190 nan 0.000 0.449 419 R N -0.266 120.211 120.500 -0.039 0.000 2.103 419 R HA -0.215 4.124 4.340 -0.001 0.000 0.242 419 R C 2.254 178.417 176.300 -0.228 0.000 1.142 419 R CA 1.773 57.857 56.100 -0.026 0.000 0.960 419 R CB -0.731 29.616 30.300 0.079 0.000 0.858 419 R HN 0.382 nan 8.270 nan 0.000 0.439 420 L N 0.851 121.978 121.223 -0.160 0.000 2.046 420 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 420 L C 2.329 179.023 176.870 -0.294 0.000 1.077 420 L CA 1.920 56.636 54.840 -0.206 0.000 0.747 420 L CB -0.638 41.427 42.059 0.011 0.000 0.896 420 L HN 0.127 nan 8.230 nan 0.000 0.432 421 A N -0.103 122.544 122.820 -0.289 0.000 1.908 421 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 421 A C 2.125 179.193 177.584 -0.861 0.000 1.181 421 A CA 2.005 53.782 52.037 -0.435 0.000 0.627 421 A CB -0.816 17.988 19.000 -0.327 0.000 0.818 421 A HN 0.465 nan 8.150 nan 0.000 0.445 422 I N 0.065 120.223 120.570 -0.685 0.000 2.226 422 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 422 I C 2.377 178.268 176.117 -0.377 0.000 1.100 422 I CA 1.110 62.054 61.300 -0.593 0.000 1.374 422 I CB -1.365 36.606 38.000 -0.047 0.000 1.057 422 I HN 0.313 nan 8.210 nan 0.000 0.413 423 I N 0.701 120.954 120.570 -0.528 0.000 2.286 423 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 423 I C 2.387 178.386 176.117 -0.198 0.000 1.115 423 I CA 1.126 62.118 61.300 -0.514 0.000 1.392 423 I CB -0.351 37.206 38.000 -0.738 0.000 1.065 423 I HN 0.222 nan 8.210 nan 0.000 0.418 424 E N 0.188 120.247 120.200 -0.234 0.000 2.268 424 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 424 E C 1.958 178.628 176.600 0.117 0.000 0.995 424 E CA 1.090 57.446 56.400 -0.073 0.000 0.836 424 E CB -0.140 29.507 29.700 -0.088 0.000 0.763 424 E HN 0.553 nan 8.360 nan 0.000 0.491 425 Y N -0.117 120.218 120.300 0.058 0.000 2.395 425 Y HA -0.035 4.514 4.550 -0.001 0.000 0.293 425 Y C 2.172 178.165 175.900 0.155 0.000 1.123 425 Y CA 0.138 58.296 58.100 0.096 0.000 1.227 425 Y CB -0.592 37.932 38.460 0.107 0.000 1.012 425 Y HN -0.022 nan 8.280 nan 0.000 0.552 426 M N 0.799 120.605 119.600 0.342 0.000 2.088 426 M HA -0.195 4.285 4.480 -0.001 0.000 0.256 426 M C -0.549 175.959 176.300 0.347 0.000 1.071 426 M CA 2.161 57.697 55.300 0.393 0.000 1.097 426 M CB -1.833 30.997 32.600 0.383 0.000 1.315 426 M HN 0.015 nan 8.290 nan 0.000 0.406 427 P HA -0.136 nan 4.420 nan 0.000 0.218 427 P C 1.728 179.111 177.300 0.139 0.000 1.149 427 P CA 1.417 64.596 63.100 0.131 0.000 0.817 427 P CB -0.217 31.524 31.700 0.069 0.000 0.785 428 L N -1.316 120.004 121.223 0.162 0.000 2.109 428 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 428 L C 2.788 179.740 176.870 0.137 0.000 1.086 428 L CA 0.932 55.844 54.840 0.121 0.000 0.760 428 L CB -0.790 41.328 42.059 0.098 0.000 0.910 428 L HN -0.095 nan 8.230 nan 0.000 0.437 429 L N -0.418 120.938 121.223 0.221 0.000 2.027 429 L HA -0.150 4.190 4.340 -0.001 0.000 0.206 429 L C 2.876 179.974 176.870 0.380 0.000 1.074 429 L CA 1.173 56.153 54.840 0.233 0.000 0.745 429 L CB -0.663 41.606 42.059 0.351 0.000 0.898 429 L HN 0.206 nan 8.230 nan 0.000 0.433 430 A N 0.221 123.369 122.820 0.546 0.000 1.902 430 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 430 A C 2.389 180.126 177.584 0.256 0.000 1.181 430 A CA 1.685 54.042 52.037 0.533 0.000 0.623 430 A CB -1.292 17.772 19.000 0.106 0.000 0.818 430 A HN 0.436 nan 8.150 nan 0.000 0.443 431 G N -1.187 107.693 108.800 0.135 0.000 2.432 431 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.219 431 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.219 431 G C 1.633 176.577 174.900 0.073 0.000 1.135 431 G CA 1.053 46.194 45.100 0.069 0.000 0.767 431 G HN 0.629 nan 8.290 nan 0.000 0.550 432 Q N -0.771 119.074 119.800 0.075 0.000 2.200 432 Q HA 0.266 4.606 4.340 -0.001 0.000 0.197 432 Q C 2.363 178.375 176.000 0.020 0.000 0.953 432 Q CA 0.427 56.248 55.803 0.029 0.000 0.851 432 Q CB 0.041 28.774 28.738 -0.008 0.000 0.938 432 Q HN 0.413 nan 8.270 nan 0.000 0.488 433 L N -0.331 120.907 121.223 0.024 0.000 2.585 433 L HA 0.286 4.626 4.340 -0.001 0.000 0.226 433 L C 0.957 177.926 176.870 0.165 0.000 1.113 433 L CA 0.065 54.903 54.840 -0.003 0.000 0.876 433 L CB -0.256 41.619 42.059 -0.307 0.000 1.072 433 L HN 0.253 nan 8.230 nan 0.000 0.468 434 G N 0.522 109.481 108.800 0.264 0.000 2.806 434 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.236 434 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.236 434 G C 0.606 175.661 174.900 0.259 0.000 1.387 434 G CA -0.134 45.136 45.100 0.283 0.000 0.884 434 G HN -0.094 nan 8.290 nan 0.000 0.560 435 V N 1.210 121.016 119.914 -0.181 0.000 2.469 435 V HA -0.160 3.960 4.120 -0.001 0.000 0.251 435 V C 2.859 178.872 176.094 -0.135 0.000 1.064 435 V CA 3.142 65.002 62.300 -0.733 0.000 1.066 435 V CB -0.561 30.647 31.823 -1.026 0.000 0.667 435 V HN 0.906 nan 8.190 nan 0.000 0.461 436 E N -0.793 119.418 120.200 0.019 0.000 2.333 436 E HA -0.276 4.073 4.350 -0.001 0.000 0.198 436 E C 2.041 178.760 176.600 0.198 0.000 1.007 436 E CA 1.588 58.044 56.400 0.093 0.000 0.845 436 E CB -0.686 29.061 29.700 0.079 0.000 0.766 436 E HN 0.662 nan 8.360 nan 0.000 0.507 437 F N 1.258 121.276 119.950 0.114 0.000 2.335 437 F HA 0.127 4.654 4.527 -0.001 0.000 0.296 437 F C 0.610 176.409 175.800 -0.002 0.000 1.091 437 F CA -0.227 57.806 58.000 0.055 0.000 1.399 437 F CB -0.032 38.990 39.000 0.037 0.000 1.067 437 F HN -0.227 nan 8.300 nan 0.000 0.520 438 F N 3.076 123.005 119.950 -0.036 0.000 2.652 438 F HA 0.161 4.687 4.527 -0.001 0.000 0.352 438 F C 0.674 176.468 175.800 -0.009 0.000 1.259 438 F CA -1.116 56.856 58.000 -0.046 0.000 1.249 438 F CB -1.245 37.880 39.000 0.208 0.000 1.628 438 F HN 0.029 nan 8.300 nan 0.000 0.654 439 D N 0.114 120.466 120.400 -0.080 0.000 2.478 439 D HA 0.088 4.727 4.640 -0.001 0.000 0.269 439 D C 1.076 177.338 176.300 -0.063 0.000 1.232 439 D CA -0.369 53.603 54.000 -0.048 0.000 1.059 439 D CB 0.533 41.279 40.800 -0.090 0.000 1.104 439 D HN 0.247 nan 8.370 nan 0.000 0.566 440 E N 0.020 120.179 120.200 -0.068 0.000 2.035 440 E HA -0.287 4.063 4.350 -0.001 0.000 0.204 440 E C 1.694 178.231 176.600 -0.106 0.000 1.025 440 E CA 1.993 58.343 56.400 -0.083 0.000 0.835 440 E CB -0.433 29.219 29.700 -0.080 0.000 0.764 440 E HN 0.423 nan 8.360 nan 0.000 0.457 441 K N 0.699 121.028 120.400 -0.119 0.000 2.001 441 K HA -0.169 4.151 4.320 -0.001 0.000 0.214 441 K C 1.998 178.494 176.600 -0.173 0.000 1.050 441 K CA 1.286 57.491 56.287 -0.137 0.000 0.934 441 K CB -0.800 31.625 32.500 -0.125 0.000 0.718 441 K HN 0.181 nan 8.250 nan 0.000 0.443 442 L N 1.442 122.530 121.223 -0.226 0.000 2.043 442 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 442 L C 1.600 178.382 176.870 -0.146 0.000 1.075 442 L CA 1.940 56.612 54.840 -0.280 0.000 0.752 442 L CB -0.860 40.867 42.059 -0.555 0.000 0.891 442 L HN 0.325 nan 8.230 nan 0.000 0.432 443 N N -0.629 118.038 118.700 -0.055 0.000 2.166 443 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 443 N C 2.007 177.474 175.510 -0.072 0.000 1.019 443 N CA 1.531 54.596 53.050 0.025 0.000 0.856 443 N CB -0.453 38.053 38.487 0.032 0.000 0.993 443 N HN 0.617 nan 8.380 nan 0.000 0.426 444 S N 0.928 116.548 115.700 -0.133 0.000 2.382 444 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 444 S C 2.083 176.531 174.600 -0.254 0.000 1.027 444 S CA 0.577 58.670 58.200 -0.179 0.000 0.991 444 S CB -0.584 62.506 63.200 -0.184 0.000 0.823 444 S HN 0.063 nan 8.310 nan 0.000 0.469 445 L N 1.622 122.654 121.223 -0.318 0.000 1.989 445 L HA -0.059 4.280 4.340 -0.001 0.000 0.211 445 L C 2.886 179.260 176.870 -0.826 0.000 1.071 445 L CA 1.533 56.029 54.840 -0.573 0.000 0.749 445 L CB -1.068 40.675 42.059 -0.527 0.000 0.890 445 L HN 0.477 nan 8.230 nan 0.000 0.431 446 C N -1.118 117.921 119.300 -0.435 0.000 2.411 446 C HA -0.188 4.271 4.460 -0.001 0.000 0.279 446 C C 2.738 177.748 174.990 0.032 0.000 1.288 446 C CA 0.848 59.815 59.018 -0.085 0.000 1.764 446 C CB -0.938 26.929 27.740 0.211 0.000 1.974 446 C HN 0.527 nan 8.230 nan 0.000 0.498 447 M N 0.796 120.354 119.600 -0.069 0.000 2.248 447 M HA 0.000 4.480 4.480 -0.001 0.000 0.265 447 M C 2.599 178.879 176.300 -0.033 0.000 1.079 447 M CA 1.552 56.842 55.300 -0.016 0.000 1.150 447 M CB -0.550 32.016 32.600 -0.056 0.000 1.366 447 M HN 0.340 nan 8.290 nan 0.000 0.433 448 A N 0.218 122.940 122.820 -0.163 0.000 1.978 448 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 448 A C 1.788 179.378 177.584 0.011 0.000 1.170 448 A CA 1.190 53.145 52.037 -0.136 0.000 0.636 448 A CB -1.024 17.832 19.000 -0.239 0.000 0.810 448 A HN 0.639 nan 8.150 nan 0.000 0.448 449 W N 0.069 121.390 121.300 0.035 0.000 2.364 449 W HA -0.094 4.566 4.660 -0.001 0.000 0.281 449 W C 1.782 178.333 176.519 0.052 0.000 1.219 449 W CA 0.751 58.121 57.345 0.042 0.000 1.220 449 W CB -1.024 28.457 29.460 0.034 0.000 1.127 449 W HN 0.314 nan 8.180 nan 0.000 0.556 450 L N -0.389 121.006 121.223 0.287 0.000 2.349 450 L HA -0.155 4.184 4.340 -0.001 0.000 0.220 450 L C 1.823 178.895 176.870 0.338 0.000 1.130 450 L CA 0.611 55.603 54.840 0.253 0.000 0.791 450 L CB -0.704 41.511 42.059 0.259 0.000 0.918 450 L HN -0.250 nan 8.230 nan 0.000 0.444 451 V N -1.172 118.895 119.914 0.255 0.000 3.376 451 V HA 0.072 4.192 4.120 -0.001 0.000 0.313 451 V C 0.723 176.941 176.094 0.206 0.000 1.393 451 V CA -0.101 62.336 62.300 0.227 0.000 1.125 451 V CB -0.086 31.758 31.823 0.035 0.000 1.037 451 V HN 0.257 nan 8.190 nan 0.000 0.440 452 D N 0.103 120.632 120.400 0.215 0.000 2.399 452 D HA -0.048 4.592 4.640 -0.001 0.000 0.241 452 D C 1.183 177.599 176.300 0.193 0.000 1.133 452 D CA 0.036 54.166 54.000 0.218 0.000 0.890 452 D CB 0.842 41.746 40.800 0.175 0.000 1.201 452 D HN 0.544 nan 8.370 nan 0.000 0.432 453 H N 1.112 120.240 119.070 0.096 0.000 2.548 453 H HA 0.073 4.628 4.556 -0.001 0.000 0.268 453 H C 0.253 175.609 175.328 0.047 0.000 0.975 453 H CA -0.069 56.028 56.048 0.081 0.000 1.195 453 H CB -0.271 29.539 29.762 0.080 0.000 1.397 453 H HN -0.045 nan 8.280 nan 0.000 0.572 454 V N 2.661 122.344 119.914 -0.384 0.000 2.406 454 V HA -0.054 4.066 4.120 -0.001 0.000 0.272 454 V C 1.231 177.229 176.094 -0.161 0.000 1.043 454 V CA -0.470 61.624 62.300 -0.343 0.000 0.915 454 V CB 0.693 32.226 31.823 -0.484 0.000 0.988 454 V HN 0.217 nan 8.190 nan 0.000 0.466 455 Y N 5.281 125.450 120.300 -0.218 0.000 2.114 455 Y HA -0.318 4.232 4.550 -0.001 0.000 0.282 455 Y C 2.284 178.084 175.900 -0.167 0.000 1.165 455 Y CA 2.406 60.411 58.100 -0.158 0.000 1.148 455 Y CB -0.096 38.278 38.460 -0.144 0.000 0.972 455 Y HN 0.667 nan 8.280 nan 0.000 0.504 456 A N 0.044 122.845 122.820 -0.031 0.000 1.978 456 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 456 A C 2.288 179.790 177.584 -0.136 0.000 1.170 456 A CA 2.022 54.011 52.037 -0.079 0.000 0.636 456 A CB -1.066 17.834 19.000 -0.166 0.000 0.810 456 A HN 0.609 nan 8.150 nan 0.000 0.448 457 I N -1.426 119.048 120.570 -0.159 0.000 2.286 457 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 457 I C 2.788 178.813 176.117 -0.153 0.000 1.104 457 I CA 1.055 62.254 61.300 -0.167 0.000 1.397 457 I CB -0.303 37.621 38.000 -0.126 0.000 1.072 457 I HN 0.287 nan 8.210 nan 0.000 0.417 458 R N 0.449 120.853 120.500 -0.159 0.000 2.081 458 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 458 R C 2.241 178.411 176.300 -0.216 0.000 1.131 458 R CA 1.432 57.441 56.100 -0.153 0.000 0.960 458 R CB -0.300 29.867 30.300 -0.223 0.000 0.856 458 R HN 0.385 nan 8.270 nan 0.000 0.436 459 E N 0.450 120.452 120.200 -0.330 0.000 2.077 459 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 459 E C 1.850 178.368 176.600 -0.136 0.000 0.989 459 E CA 1.230 57.470 56.400 -0.267 0.000 0.800 459 E CB 0.016 29.565 29.700 -0.251 0.000 0.746 459 E HN 0.366 nan 8.360 nan 0.000 0.452 460 A N 1.081 123.822 122.820 -0.131 0.000 1.897 460 A HA -0.016 4.303 4.320 -0.001 0.000 0.215 460 A C 2.366 179.900 177.584 -0.082 0.000 1.181 460 A CA 1.543 53.514 52.037 -0.111 0.000 0.620 460 A CB -0.618 18.285 19.000 -0.161 0.000 0.821 460 A HN 0.385 nan 8.150 nan 0.000 0.443 461 A N -0.801 121.978 122.820 -0.068 0.000 1.902 461 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 461 A C 2.305 179.939 177.584 0.084 0.000 1.181 461 A CA 2.367 54.450 52.037 0.077 0.000 0.623 461 A CB -1.351 17.776 19.000 0.212 0.000 0.818 461 A HN 0.420 nan 8.150 nan 0.000 0.443 462 T N 0.310 114.875 114.554 0.019 0.000 2.652 462 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 462 T C 2.287 176.998 174.700 0.019 0.000 1.039 462 T CA 1.886 63.991 62.100 0.010 0.000 1.153 462 T CB -0.415 68.423 68.868 -0.050 0.000 0.863 462 T HN 0.531 nan 8.240 nan 0.000 0.428 463 S N 1.441 117.140 115.700 -0.001 0.000 2.359 463 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 463 S C 2.037 176.654 174.600 0.027 0.000 1.035 463 S CA 1.154 59.357 58.200 0.005 0.000 1.018 463 S CB -0.679 62.516 63.200 -0.009 0.000 0.876 463 S HN 0.585 nan 8.310 nan 0.000 0.448 464 N N 1.040 119.768 118.700 0.046 0.000 2.061 464 N HA -0.180 4.559 4.740 -0.001 0.000 0.193 464 N C 1.919 177.497 175.510 0.114 0.000 1.030 464 N CA 1.435 54.537 53.050 0.087 0.000 0.856 464 N CB -0.246 38.323 38.487 0.138 0.000 1.023 464 N HN 0.251 nan 8.380 nan 0.000 0.424 465 L N 1.809 123.114 121.223 0.137 0.000 2.046 465 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 465 L C 2.252 179.195 176.870 0.122 0.000 1.077 465 L CA 1.713 56.648 54.840 0.159 0.000 0.747 465 L CB -0.519 41.628 42.059 0.147 0.000 0.896 465 L HN 0.091 nan 8.230 nan 0.000 0.432 466 K N -0.814 119.631 120.400 0.076 0.000 2.026 466 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 466 K C 2.130 178.743 176.600 0.021 0.000 1.048 466 K CA 1.491 57.809 56.287 0.052 0.000 0.929 466 K CB -0.137 32.381 32.500 0.030 0.000 0.713 466 K HN 0.077 nan 8.250 nan 0.000 0.439 467 K N 0.886 121.283 120.400 -0.004 0.000 2.063 467 K HA -0.126 4.193 4.320 -0.001 0.000 0.208 467 K C 1.897 178.410 176.600 -0.146 0.000 1.048 467 K CA 0.960 57.210 56.287 -0.063 0.000 0.928 467 K CB -0.429 32.036 32.500 -0.058 0.000 0.713 467 K HN -0.037 nan 8.250 nan 0.000 0.442 468 L N 0.071 121.222 121.223 -0.119 0.000 2.012 468 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 468 L C 2.089 178.839 176.870 -0.199 0.000 1.073 468 L CA 1.460 56.139 54.840 -0.268 0.000 0.748 468 L CB -0.746 41.315 42.059 0.004 0.000 0.891 468 L HN -0.031 nan 8.230 nan 0.000 0.431 469 V N -0.671 119.309 119.914 0.110 0.000 2.427 469 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 469 V C 2.326 178.459 176.094 0.064 0.000 1.051 469 V CA 1.568 64.008 62.300 0.233 0.000 1.048 469 V CB -0.544 31.414 31.823 0.225 0.000 0.666 469 V HN 0.501 nan 8.190 nan 0.000 0.456 470 E N -0.190 119.997 120.200 -0.022 0.000 2.268 470 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 470 E C 2.168 178.695 176.600 -0.122 0.000 0.995 470 E CA 1.024 57.394 56.400 -0.050 0.000 0.836 470 E CB -0.029 29.641 29.700 -0.051 0.000 0.763 470 E HN 0.551 nan 8.360 nan 0.000 0.491 471 K N 0.210 120.444 120.400 -0.277 0.000 2.078 471 K HA -0.028 4.292 4.320 -0.001 0.000 0.203 471 K C 1.506 177.903 176.600 -0.337 0.000 1.043 471 K CA 0.629 56.668 56.287 -0.413 0.000 0.960 471 K CB 0.107 32.149 32.500 -0.764 0.000 0.761 471 K HN -0.011 nan 8.250 nan 0.000 0.448 472 F N 0.854 120.608 119.950 -0.326 0.000 2.615 472 F HA 0.265 4.792 4.527 -0.001 0.000 0.297 472 F C 1.082 176.835 175.800 -0.080 0.000 1.124 472 F CA 0.657 58.420 58.000 -0.395 0.000 1.451 472 F CB -0.175 38.149 39.000 -1.125 0.000 1.103 472 F HN 0.320 nan 8.300 nan 0.000 0.569 473 G N 0.640 109.550 108.800 0.184 0.000 2.675 473 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.686 473 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.686 473 G C 0.717 175.795 174.900 0.296 0.000 1.215 473 G CA -0.274 44.950 45.100 0.206 0.000 0.777 473 G HN 0.350 nan 8.290 nan 0.000 0.638 474 K N -0.022 120.497 120.400 0.199 0.000 2.209 474 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 474 K C 1.554 178.271 176.600 0.194 0.000 1.048 474 K CA 1.734 58.129 56.287 0.181 0.000 0.940 474 K CB 0.080 32.645 32.500 0.110 0.000 0.729 474 K HN 0.369 nan 8.250 nan 0.000 0.451 475 E N 0.857 121.177 120.200 0.200 0.000 2.106 475 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 475 E C 1.563 178.284 176.600 0.201 0.000 0.984 475 E CA 0.985 57.503 56.400 0.196 0.000 0.806 475 E CB -0.289 29.507 29.700 0.161 0.000 0.750 475 E HN 0.591 nan 8.360 nan 0.000 0.458 476 W N 1.651 122.991 121.300 0.067 0.000 2.363 476 W HA -0.133 4.527 4.660 -0.001 0.000 0.296 476 W C 2.189 178.734 176.519 0.044 0.000 1.212 476 W CA 2.221 59.587 57.345 0.037 0.000 1.260 476 W CB -0.317 29.177 29.460 0.057 0.000 1.131 476 W HN 0.029 nan 8.180 nan 0.000 0.530 477 A N -0.357 122.464 122.820 0.002 0.000 1.877 477 A HA -0.280 4.039 4.320 -0.001 0.000 0.216 477 A C 1.905 179.378 177.584 -0.185 0.000 1.186 477 A CA 2.087 53.980 52.037 -0.240 0.000 0.620 477 A CB -1.540 17.487 19.000 0.045 0.000 0.822 477 A HN 0.566 nan 8.150 nan 0.000 0.443 478 H N 0.172 119.156 119.070 -0.142 0.000 2.352 478 H HA 0.030 4.586 4.556 -0.001 0.000 0.299 478 H C 2.018 177.222 175.328 -0.206 0.000 1.097 478 H CA 1.945 57.901 56.048 -0.153 0.000 1.311 478 H CB -0.298 29.407 29.762 -0.095 0.000 1.377 478 H HN 0.366 nan 8.280 nan 0.000 0.504 479 A N -1.356 121.273 122.820 -0.319 0.000 1.935 479 A HA 0.014 4.334 4.320 -0.001 0.000 0.214 479 A C 2.307 179.686 177.584 -0.343 0.000 1.178 479 A CA 1.432 53.246 52.037 -0.371 0.000 0.640 479 A CB -0.240 18.625 19.000 -0.226 0.000 0.825 479 A HN 0.513 nan 8.150 nan 0.000 0.447 480 T N -1.015 113.261 114.554 -0.463 0.000 3.023 480 T HA 0.290 4.640 4.350 -0.001 0.000 0.249 480 T C 1.588 176.016 174.700 -0.454 0.000 1.050 480 T CA 0.727 62.530 62.100 -0.496 0.000 1.088 480 T CB 0.013 68.432 68.868 -0.749 0.000 0.946 480 T HN 0.315 nan 8.240 nan 0.000 0.480 481 I N 0.164 120.441 120.570 -0.488 0.000 2.899 481 I HA 0.188 4.357 4.170 -0.001 0.000 0.257 481 I C 1.975 177.975 176.117 -0.194 0.000 1.115 481 I CA 0.325 61.428 61.300 -0.329 0.000 1.451 481 I CB -0.005 37.787 38.000 -0.347 0.000 1.251 481 I HN 0.058 nan 8.210 nan 0.000 0.456 482 I N 1.644 122.119 120.570 -0.158 0.000 2.145 482 I HA -0.241 3.929 4.170 -0.001 0.000 0.244 482 I C -0.536 175.527 176.117 -0.090 0.000 1.075 482 I CA 1.947 63.199 61.300 -0.080 0.000 1.332 482 I CB -1.638 36.356 38.000 -0.009 0.000 1.033 482 I HN 0.153 nan 8.210 nan 0.000 0.410 483 P HA -0.207 nan 4.420 nan 0.000 0.215 483 P C 1.345 178.587 177.300 -0.098 0.000 1.157 483 P CA 1.710 64.738 63.100 -0.120 0.000 0.874 483 P CB -0.031 31.576 31.700 -0.156 0.000 0.790 484 K N -0.751 119.581 120.400 -0.113 0.000 2.026 484 K HA -0.077 4.242 4.320 -0.001 0.000 0.208 484 K C 2.018 178.564 176.600 -0.091 0.000 1.048 484 K CA 1.231 57.455 56.287 -0.105 0.000 0.929 484 K CB -1.098 31.329 32.500 -0.120 0.000 0.713 484 K HN -0.017 nan 8.250 nan 0.000 0.439 485 V N 2.332 122.196 119.914 -0.083 0.000 2.282 485 V HA -0.272 3.847 4.120 -0.001 0.000 0.249 485 V C 2.269 178.335 176.094 -0.047 0.000 1.057 485 V CA 1.768 64.030 62.300 -0.062 0.000 1.032 485 V CB -0.514 31.284 31.823 -0.042 0.000 0.645 485 V HN 0.289 nan 8.190 nan 0.000 0.447 486 L N -0.099 121.101 121.223 -0.037 0.000 2.056 486 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 486 L C 2.753 179.606 176.870 -0.028 0.000 1.078 486 L CA 1.467 56.294 54.840 -0.022 0.000 0.749 486 L CB -0.930 41.125 42.059 -0.008 0.000 0.901 486 L HN 0.371 nan 8.230 nan 0.000 0.433 487 A N -0.058 122.737 122.820 -0.042 0.000 1.978 487 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 487 A C 2.279 179.842 177.584 -0.035 0.000 1.170 487 A CA 1.738 53.751 52.037 -0.040 0.000 0.636 487 A CB -0.492 18.477 19.000 -0.053 0.000 0.810 487 A HN 0.383 nan 8.150 nan 0.000 0.448 488 M N 0.546 120.118 119.600 -0.047 0.000 2.476 488 M HA -0.102 4.377 4.480 -0.001 0.000 0.262 488 M C 2.188 178.481 176.300 -0.013 0.000 1.079 488 M CA 1.252 56.530 55.300 -0.037 0.000 1.104 488 M CB -0.318 32.233 32.600 -0.081 0.000 1.409 488 M HN 0.658 nan 8.290 nan 0.000 0.467 489 S N -0.078 115.611 115.700 -0.019 0.000 2.442 489 S HA -0.072 4.397 4.470 -0.001 0.000 0.236 489 S C 1.872 176.469 174.600 -0.004 0.000 1.007 489 S CA 1.094 59.286 58.200 -0.013 0.000 0.965 489 S CB -0.969 62.224 63.200 -0.012 0.000 0.773 489 S HN 0.546 nan 8.310 nan 0.000 0.504 490 G N 1.591 110.390 108.800 -0.002 0.000 2.424 490 G HA2 0.009 3.968 3.960 -0.001 0.000 0.214 490 G HA3 0.009 3.968 3.960 -0.001 0.000 0.214 490 G C -0.028 174.878 174.900 0.010 0.000 1.202 490 G CA 0.245 45.347 45.100 0.002 0.000 0.793 490 G HN 0.480 nan 8.290 nan 0.000 0.534 491 D N 1.315 121.730 120.400 0.025 0.000 3.360 491 D HA -0.047 4.592 4.640 -0.001 0.000 0.192 491 D C -1.077 175.232 176.300 0.015 0.000 1.037 491 D CA 0.205 54.232 54.000 0.046 0.000 0.720 491 D CB 1.104 41.988 40.800 0.139 0.000 1.140 491 D HN 0.181 nan 8.370 nan 0.000 0.529 492 P HA -0.118 nan 4.420 nan 0.000 0.231 492 P C 0.141 177.417 177.300 -0.039 0.000 1.168 492 P CA 0.210 63.300 63.100 -0.018 0.000 0.779 492 P CB 0.303 31.991 31.700 -0.019 0.000 0.844 493 N N 0.755 119.380 118.700 -0.125 0.000 2.452 493 N HA -0.078 4.662 4.740 -0.001 0.000 0.266 493 N C 1.032 176.458 175.510 -0.140 0.000 1.175 493 N CA -0.244 52.661 53.050 -0.242 0.000 0.945 493 N CB 0.396 38.439 38.487 -0.739 0.000 1.063 493 N HN 0.061 nan 8.380 nan 0.000 0.472 494 Y N 4.435 124.647 120.300 -0.146 0.000 2.314 494 Y HA 0.026 4.575 4.550 -0.001 0.000 0.293 494 Y C 1.595 177.428 175.900 -0.112 0.000 1.129 494 Y CA 0.908 58.941 58.100 -0.112 0.000 1.201 494 Y CB -0.237 38.163 38.460 -0.100 0.000 0.999 494 Y HN 0.506 nan 8.280 nan 0.000 0.541 495 L N 0.203 120.849 121.223 -0.961 0.000 2.131 495 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 495 L C 2.491 179.203 176.870 -0.263 0.000 1.092 495 L CA 1.746 56.146 54.840 -0.733 0.000 0.759 495 L CB -0.751 40.995 42.059 -0.521 0.000 0.903 495 L HN 0.448 nan 8.230 nan 0.000 0.435 496 H N -0.831 118.071 119.070 -0.280 0.000 2.326 496 H HA -0.114 4.442 4.556 -0.001 0.000 0.301 496 H C 2.451 177.671 175.328 -0.180 0.000 1.081 496 H CA 0.821 56.756 56.048 -0.189 0.000 1.334 496 H CB 0.209 29.894 29.762 -0.128 0.000 1.385 496 H HN 0.182 nan 8.280 nan 0.000 0.504 497 R N 0.174 120.660 120.500 -0.024 0.000 2.120 497 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 497 R C 2.251 178.460 176.300 -0.151 0.000 1.123 497 R CA 1.120 57.183 56.100 -0.061 0.000 0.975 497 R CB -0.044 30.241 30.300 -0.026 0.000 0.866 497 R HN 0.201 nan 8.270 nan 0.000 0.446 498 M N -0.388 119.059 119.600 -0.254 0.000 2.229 498 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 498 M C 1.706 177.663 176.300 -0.572 0.000 1.063 498 M CA 1.655 56.671 55.300 -0.472 0.000 1.114 498 M CB 0.143 32.391 32.600 -0.587 0.000 1.387 498 M HN -0.001 nan 8.290 nan 0.000 0.420 499 T N -0.276 114.070 114.554 -0.346 0.000 2.833 499 T HA -0.117 4.232 4.350 -0.001 0.000 0.269 499 T C 1.621 176.252 174.700 -0.115 0.000 1.054 499 T CA 1.874 63.847 62.100 -0.211 0.000 1.135 499 T CB -0.453 68.331 68.868 -0.140 0.000 0.869 499 T HN 0.462 nan 8.240 nan 0.000 0.466 500 T N 2.317 116.803 114.554 -0.114 0.000 2.684 500 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 500 T C 1.837 176.526 174.700 -0.018 0.000 1.036 500 T CA 0.798 62.863 62.100 -0.057 0.000 1.148 500 T CB -0.378 68.458 68.868 -0.053 0.000 0.863 500 T HN 0.081 nan 8.240 nan 0.000 0.436 501 L N 0.304 121.499 121.223 -0.047 0.000 2.017 501 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 501 L C 2.165 179.177 176.870 0.236 0.000 1.073 501 L CA 1.575 56.445 54.840 0.049 0.000 0.745 501 L CB -1.159 40.899 42.059 -0.002 0.000 0.894 501 L HN 0.207 nan 8.230 nan 0.000 0.432 502 F N -1.189 118.748 119.950 -0.022 0.000 2.171 502 F HA -0.189 4.337 4.527 -0.001 0.000 0.300 502 F C 2.729 178.525 175.800 -0.007 0.000 1.090 502 F CA 0.465 58.456 58.000 -0.015 0.000 1.293 502 F CB -1.714 37.278 39.000 -0.015 0.000 1.013 502 F HN 0.136 nan 8.300 nan 0.000 0.486 503 C N 0.322 119.734 119.300 0.187 0.000 2.432 503 C HA -0.171 4.288 4.460 -0.001 0.000 0.277 503 C C 2.964 178.001 174.990 0.079 0.000 1.249 503 C CA 0.559 59.639 59.018 0.102 0.000 1.725 503 C CB -1.222 26.549 27.740 0.051 0.000 2.028 503 C HN 0.372 nan 8.230 nan 0.000 0.477 504 I N 1.330 121.944 120.570 0.073 0.000 2.208 504 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 504 I C 2.181 178.332 176.117 0.057 0.000 1.097 504 I CA 1.737 63.072 61.300 0.057 0.000 1.363 504 I CB -0.690 37.340 38.000 0.050 0.000 1.051 504 I HN 0.528 nan 8.210 nan 0.000 0.413 505 N N 0.013 118.757 118.700 0.072 0.000 2.149 505 N HA -0.167 4.572 4.740 -0.001 0.000 0.188 505 N C 1.793 177.318 175.510 0.026 0.000 1.019 505 N CA 1.166 54.242 53.050 0.043 0.000 0.857 505 N CB 0.041 38.545 38.487 0.028 0.000 0.997 505 N HN 0.151 nan 8.380 nan 0.000 0.426 506 V N 1.319 121.254 119.914 0.035 0.000 2.379 506 V HA -0.088 4.031 4.120 -0.001 0.000 0.243 506 V C 2.116 178.233 176.094 0.039 0.000 1.035 506 V CA 1.040 63.358 62.300 0.030 0.000 1.035 506 V CB -0.417 31.430 31.823 0.040 0.000 0.673 506 V HN 0.260 nan 8.190 nan 0.000 0.457 507 L N 1.228 122.479 121.223 0.047 0.000 2.191 507 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 507 L C 2.729 179.624 176.870 0.041 0.000 1.103 507 L CA 1.671 56.541 54.840 0.049 0.000 0.769 507 L CB -0.845 41.241 42.059 0.045 0.000 0.908 507 L HN 0.561 nan 8.230 nan 0.000 0.438 508 S N -0.427 115.294 115.700 0.035 0.000 2.400 508 S HA -0.230 4.240 4.470 -0.001 0.000 0.232 508 S C 1.699 176.314 174.600 0.024 0.000 1.025 508 S CA 1.248 59.464 58.200 0.027 0.000 0.993 508 S CB -0.344 62.870 63.200 0.024 0.000 0.808 508 S HN 0.504 nan 8.310 nan 0.000 0.478 509 E N 0.514 120.728 120.200 0.024 0.000 2.268 509 E HA -0.034 4.315 4.350 -0.001 0.000 0.195 509 E C 1.763 178.378 176.600 0.025 0.000 0.995 509 E CA 1.262 57.674 56.400 0.021 0.000 0.836 509 E CB 0.044 29.755 29.700 0.017 0.000 0.763 509 E HN 0.740 nan 8.360 nan 0.000 0.491 510 V N -4.214 115.720 119.914 0.035 0.000 3.485 510 V HA 0.132 4.252 4.120 -0.001 0.000 0.280 510 V C 1.511 177.634 176.094 0.049 0.000 1.495 510 V CA -0.236 62.089 62.300 0.042 0.000 1.018 510 V CB 0.115 31.969 31.823 0.052 0.000 0.818 510 V HN 0.173 nan 8.190 nan 0.000 0.436 511 C N 1.935 121.263 119.300 0.046 0.000 2.594 511 C HA 0.669 5.128 4.460 -0.001 0.000 0.265 511 C C 1.574 176.582 174.990 0.029 0.000 1.351 511 C CA 0.433 59.478 59.018 0.046 0.000 1.744 511 C CB -1.386 26.381 27.740 0.045 0.000 1.890 511 C HN 1.167 nan 8.230 nan 0.000 0.551 512 G N 0.111 108.924 108.800 0.022 0.000 2.699 512 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.686 512 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.686 512 G C 0.218 175.120 174.900 0.003 0.000 1.301 512 G CA 0.157 45.264 45.100 0.012 0.000 0.816 512 G HN 0.276 nan 8.290 nan 0.000 0.595 513 Q N -0.844 118.955 119.800 -0.002 0.000 2.124 513 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 513 Q C 1.980 177.967 176.000 -0.023 0.000 0.977 513 Q CA 1.875 57.672 55.803 -0.009 0.000 0.850 513 Q CB -0.143 28.590 28.738 -0.008 0.000 0.901 513 Q HN 0.671 nan 8.270 nan 0.000 0.429 514 D N 0.108 120.493 120.400 -0.026 0.000 2.084 514 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 514 D C 1.937 178.197 176.300 -0.067 0.000 0.990 514 D CA 1.246 55.219 54.000 -0.045 0.000 0.826 514 D CB -0.040 40.739 40.800 -0.035 0.000 0.971 514 D HN 0.329 nan 8.370 nan 0.000 0.453 515 I N 0.581 121.124 120.570 -0.045 0.000 2.252 515 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 515 I C 2.440 178.552 176.117 -0.007 0.000 1.102 515 I CA 0.842 62.129 61.300 -0.021 0.000 1.385 515 I CB -0.404 37.575 38.000 -0.033 0.000 1.064 515 I HN -0.035 nan 8.210 nan 0.000 0.414 516 T N 0.215 114.764 114.554 -0.009 0.000 2.708 516 T HA -0.167 4.182 4.350 -0.001 0.000 0.266 516 T C 1.929 176.613 174.700 -0.027 0.000 1.037 516 T CA 2.142 64.242 62.100 -0.001 0.000 1.146 516 T CB -0.391 68.478 68.868 0.003 0.000 0.865 516 T HN 0.359 nan 8.240 nan 0.000 0.435 517 T N 1.771 116.295 114.554 -0.050 0.000 2.777 517 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 517 T C 2.009 176.637 174.700 -0.120 0.000 1.040 517 T CA 1.003 63.063 62.100 -0.066 0.000 1.141 517 T CB -0.085 68.747 68.868 -0.060 0.000 0.868 517 T HN 0.393 nan 8.240 nan 0.000 0.444 518 K N -0.249 120.021 120.400 -0.216 0.000 2.137 518 K HA 0.040 4.360 4.320 -0.001 0.000 0.202 518 K C 1.703 177.979 176.600 -0.539 0.000 1.052 518 K CA 0.774 56.807 56.287 -0.424 0.000 0.961 518 K CB 0.117 32.227 32.500 -0.650 0.000 0.741 518 K HN 0.417 nan 8.250 nan 0.000 0.452 519 H N -1.390 117.664 119.070 -0.026 0.000 2.893 519 H HA 0.267 4.822 4.556 -0.001 0.000 0.270 519 H C 1.298 176.630 175.328 0.005 0.000 1.095 519 H CA 0.255 56.304 56.048 0.001 0.000 1.186 519 H CB 0.754 30.528 29.762 0.020 0.000 1.562 519 H HN 0.115 nan 8.280 nan 0.000 0.536 520 M N -0.717 118.923 119.600 0.067 0.000 2.724 520 M HA 0.021 4.501 4.480 -0.001 0.000 0.231 520 M C 1.942 178.256 176.300 0.024 0.000 1.568 520 M CA 0.180 55.510 55.300 0.050 0.000 1.153 520 M CB 0.387 33.014 32.600 0.045 0.000 1.345 520 M HN 0.038 nan 8.290 nan 0.000 0.555 521 L N 2.340 123.567 121.223 0.007 0.000 1.990 521 L HA -0.095 4.245 4.340 -0.001 0.000 0.213 521 L C -0.965 175.906 176.870 0.002 0.000 1.072 521 L CA 2.579 57.420 54.840 0.001 0.000 0.755 521 L CB -1.588 40.465 42.059 -0.011 0.000 0.889 521 L HN 0.013 nan 8.230 nan 0.000 0.432 522 P HA -0.167 nan 4.420 nan 0.000 0.216 522 P C 1.655 178.959 177.300 0.007 0.000 1.157 522 P CA 2.277 65.376 63.100 -0.001 0.000 0.880 522 P CB -0.222 31.476 31.700 -0.004 0.000 0.791 523 T N -0.970 113.592 114.554 0.014 0.000 2.746 523 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 523 T C 1.808 176.514 174.700 0.009 0.000 1.039 523 T CA 1.241 63.349 62.100 0.012 0.000 1.142 523 T CB -0.969 67.909 68.868 0.016 0.000 0.866 523 T HN -0.115 nan 8.240 nan 0.000 0.444 524 V N 1.635 121.556 119.914 0.012 0.000 2.295 524 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 524 V C 2.488 178.589 176.094 0.012 0.000 1.049 524 V CA 1.490 63.798 62.300 0.013 0.000 1.024 524 V CB -0.720 31.115 31.823 0.019 0.000 0.648 524 V HN 0.441 nan 8.190 nan 0.000 0.447 525 L N -0.347 120.883 121.223 0.011 0.000 2.046 525 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 525 L C 2.728 179.604 176.870 0.010 0.000 1.077 525 L CA 1.920 56.766 54.840 0.011 0.000 0.747 525 L CB -0.611 41.452 42.059 0.007 0.000 0.896 525 L HN 0.265 nan 8.230 nan 0.000 0.432 526 R N 0.329 120.834 120.500 0.007 0.000 2.115 526 R HA -0.114 4.225 4.340 -0.001 0.000 0.230 526 R C 2.232 178.535 176.300 0.005 0.000 1.111 526 R CA 1.149 57.252 56.100 0.006 0.000 0.976 526 R CB -0.091 30.212 30.300 0.005 0.000 0.870 526 R HN 0.289 nan 8.270 nan 0.000 0.445 527 M N 0.003 119.605 119.600 0.003 0.000 2.549 527 M HA -0.013 4.466 4.480 -0.001 0.000 0.260 527 M C 2.026 178.327 176.300 0.002 0.000 1.076 527 M CA 0.915 56.214 55.300 -0.002 0.000 1.090 527 M CB 0.105 32.700 32.600 -0.009 0.000 1.418 527 M HN 0.275 nan 8.290 nan 0.000 0.486 528 A N 0.349 123.175 122.820 0.010 0.000 2.076 528 A HA -0.058 4.261 4.320 -0.001 0.000 0.220 528 A C 2.198 179.792 177.584 0.017 0.000 1.160 528 A CA 1.744 53.792 52.037 0.019 0.000 0.653 528 A CB -1.080 17.935 19.000 0.023 0.000 0.801 528 A HN 0.563 nan 8.150 nan 0.000 0.455 529 G N -1.017 107.790 108.800 0.011 0.000 2.880 529 G HA2 0.015 3.975 3.960 -0.001 0.000 0.209 529 G HA3 0.015 3.975 3.960 -0.001 0.000 0.209 529 G C 0.386 175.290 174.900 0.006 0.000 1.157 529 G CA 0.232 45.338 45.100 0.010 0.000 0.779 529 G HN 0.508 nan 8.290 nan 0.000 0.539 530 D N 1.288 121.688 120.400 0.001 0.000 2.648 530 D HA -0.035 4.605 4.640 -0.001 0.000 0.229 530 D C -0.787 175.510 176.300 -0.005 0.000 1.119 530 D CA -0.764 53.233 54.000 -0.005 0.000 0.850 530 D CB 1.861 42.653 40.800 -0.014 0.000 1.169 530 D HN 0.119 nan 8.370 nan 0.000 0.489 531 P HA -0.067 nan 4.420 nan 0.000 0.223 531 P C 0.431 177.718 177.300 -0.022 0.000 1.151 531 P CA 0.278 63.371 63.100 -0.011 0.000 0.787 531 P CB 0.297 31.990 31.700 -0.013 0.000 0.788 532 V N 1.198 121.090 119.914 -0.037 0.000 2.455 532 V HA 0.253 4.372 4.120 -0.001 0.000 0.273 532 V C 1.958 178.021 176.094 -0.052 0.000 1.045 532 V CA 0.226 62.484 62.300 -0.071 0.000 0.976 532 V CB 0.439 32.195 31.823 -0.112 0.000 0.993 532 V HN 0.032 nan 8.190 nan 0.000 0.475 533 A N 4.256 127.063 122.820 -0.021 0.000 1.978 533 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 533 A C 2.107 179.711 177.584 0.034 0.000 1.170 533 A CA 1.806 53.874 52.037 0.051 0.000 0.636 533 A CB -0.538 18.523 19.000 0.101 0.000 0.810 533 A HN 0.837 nan 8.150 nan 0.000 0.448 534 N N 0.307 118.962 118.700 -0.075 0.000 2.069 534 N HA -0.140 4.599 4.740 -0.001 0.000 0.191 534 N C 1.737 176.907 175.510 -0.567 0.000 1.031 534 N CA 1.863 54.738 53.050 -0.293 0.000 0.852 534 N CB -0.238 38.139 38.487 -0.183 0.000 1.018 534 N HN 0.243 nan 8.380 nan 0.000 0.423 535 V N 2.032 121.790 119.914 -0.260 0.000 2.343 535 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 535 V C 2.501 178.478 176.094 -0.196 0.000 1.051 535 V CA 1.383 63.557 62.300 -0.210 0.000 1.036 535 V CB -0.396 31.376 31.823 -0.084 0.000 0.654 535 V HN 0.323 nan 8.190 nan 0.000 0.451 536 R N 0.184 120.620 120.500 -0.107 0.000 2.091 536 R HA -0.186 4.153 4.340 -0.001 0.000 0.238 536 R C 2.325 178.674 176.300 0.081 0.000 1.136 536 R CA 2.077 58.178 56.100 0.002 0.000 0.959 536 R CB -0.650 29.686 30.300 0.060 0.000 0.856 536 R HN 0.729 nan 8.270 nan 0.000 0.437 537 F N 0.617 120.632 119.950 0.107 0.000 2.407 537 F HA 0.095 4.622 4.527 -0.001 0.000 0.299 537 F C 1.496 177.327 175.800 0.051 0.000 1.097 537 F CA 0.433 58.525 58.000 0.154 0.000 1.422 537 F CB -0.541 38.635 39.000 0.293 0.000 1.067 537 F HN -0.164 nan 8.300 nan 0.000 0.539 538 N N 1.000 119.591 118.700 -0.182 0.000 2.409 538 N HA -0.043 4.696 4.740 -0.001 0.000 0.179 538 N C 1.995 177.518 175.510 0.022 0.000 1.032 538 N CA 0.972 53.986 53.050 -0.060 0.000 0.898 538 N CB 0.031 38.420 38.487 -0.163 0.000 0.971 538 N HN 0.303 nan 8.380 nan 0.000 0.441 539 V N 1.479 121.400 119.914 0.012 0.000 2.358 539 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 539 V C 2.431 178.564 176.094 0.065 0.000 1.047 539 V CA 1.755 64.075 62.300 0.034 0.000 1.035 539 V CB -0.714 31.125 31.823 0.027 0.000 0.658 539 V HN 0.240 nan 8.190 nan 0.000 0.452 540 A N -0.024 122.860 122.820 0.106 0.000 1.877 540 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 540 A C 2.265 179.908 177.584 0.099 0.000 1.186 540 A CA 1.957 54.068 52.037 0.123 0.000 0.620 540 A CB -0.424 18.698 19.000 0.204 0.000 0.822 540 A HN 0.550 nan 8.150 nan 0.000 0.443 541 K N -0.353 120.094 120.400 0.078 0.000 2.057 541 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 541 K C 2.421 179.040 176.600 0.032 0.000 1.049 541 K CA 1.423 57.720 56.287 0.016 0.000 0.931 541 K CB -0.260 32.195 32.500 -0.076 0.000 0.714 541 K HN 0.439 nan 8.250 nan 0.000 0.440 542 S N 1.125 116.855 115.700 0.050 0.000 2.368 542 S HA -0.061 4.408 4.470 -0.001 0.000 0.225 542 S C 1.912 176.536 174.600 0.040 0.000 1.030 542 S CA 0.853 59.084 58.200 0.052 0.000 0.999 542 S CB -0.176 63.065 63.200 0.068 0.000 0.844 542 S HN 0.199 nan 8.310 nan 0.000 0.459 543 L N 1.068 122.315 121.223 0.042 0.000 2.141 543 L HA -0.086 4.254 4.340 -0.001 0.000 0.209 543 L C 2.832 179.720 176.870 0.031 0.000 1.094 543 L CA 1.520 56.381 54.840 0.034 0.000 0.763 543 L CB -0.476 41.605 42.059 0.036 0.000 0.908 543 L HN 0.487 nan 8.230 nan 0.000 0.437 544 Q N 0.559 120.381 119.800 0.036 0.000 2.123 544 Q HA -0.248 4.091 4.340 -0.001 0.000 0.199 544 Q C 2.170 178.184 176.000 0.024 0.000 0.966 544 Q CA 1.466 57.289 55.803 0.032 0.000 0.845 544 Q CB 0.167 28.932 28.738 0.044 0.000 0.907 544 Q HN 0.171 nan 8.270 nan 0.000 0.439 545 K N 1.017 121.430 120.400 0.022 0.000 2.062 545 K HA -0.108 4.212 4.320 -0.001 0.000 0.205 545 K C 1.825 178.434 176.600 0.015 0.000 1.051 545 K CA 1.648 57.944 56.287 0.014 0.000 0.941 545 K CB -0.262 32.242 32.500 0.007 0.000 0.719 545 K HN 0.521 nan 8.250 nan 0.000 0.440 546 I N -3.382 117.199 120.570 0.018 0.000 3.860 546 I HA 0.319 4.489 4.170 -0.001 0.000 0.319 546 I C 1.737 177.862 176.117 0.013 0.000 1.279 546 I CA 0.455 61.764 61.300 0.016 0.000 1.220 546 I CB -0.219 37.792 38.000 0.019 0.000 1.027 546 I HN 0.073 nan 8.210 nan 0.000 0.428 547 G N 2.942 111.751 108.800 0.014 0.000 2.476 547 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 547 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 547 G C -0.475 174.430 174.900 0.008 0.000 1.164 547 G CA 1.162 46.269 45.100 0.011 0.000 0.768 547 G HN 0.401 nan 8.290 nan 0.000 0.560 548 P HA 0.014 nan 4.420 nan 0.000 0.223 548 P C 1.551 178.854 177.300 0.006 0.000 1.144 548 P CA 0.624 63.729 63.100 0.007 0.000 0.783 548 P CB -0.010 31.695 31.700 0.009 0.000 0.771 549 I N -2.215 118.359 120.570 0.006 0.000 3.226 549 I HA -0.031 4.138 4.170 -0.001 0.000 0.277 549 I C 1.202 177.319 176.117 0.001 0.000 1.243 549 I CA 0.191 61.494 61.300 0.005 0.000 1.459 549 I CB -0.140 37.864 38.000 0.006 0.000 1.093 549 I HN -0.106 nan 8.210 nan 0.000 0.453 550 L N 0.130 121.353 121.223 0.000 0.000 2.479 550 L HA 0.200 4.539 4.340 -0.001 0.000 0.249 550 L C 0.073 176.940 176.870 -0.004 0.000 1.178 550 L CA -0.515 54.323 54.840 -0.004 0.000 0.811 550 L CB 0.243 42.300 42.059 -0.003 0.000 1.187 550 L HN -0.057 nan 8.230 nan 0.000 0.480 551 D N 0.206 120.602 120.400 -0.007 0.000 2.304 551 D HA 0.016 4.655 4.640 -0.001 0.000 0.250 551 D C 0.756 177.053 176.300 -0.004 0.000 1.107 551 D CA 0.057 54.053 54.000 -0.006 0.000 0.885 551 D CB 1.176 41.970 40.800 -0.009 0.000 1.192 551 D HN 0.460 nan 8.370 nan 0.000 0.436 552 N N 1.207 119.905 118.700 -0.003 0.000 2.137 552 N HA -0.243 4.496 4.740 -0.001 0.000 0.190 552 N C 1.489 176.998 175.510 -0.002 0.000 1.017 552 N CA 2.227 55.276 53.050 -0.001 0.000 0.859 552 N CB 0.107 38.593 38.487 -0.001 0.000 1.002 552 N HN 0.302 nan 8.380 nan 0.000 0.428 553 S N -2.186 113.512 115.700 -0.003 0.000 2.402 553 S HA -0.076 4.393 4.470 -0.001 0.000 0.229 553 S C 1.916 176.513 174.600 -0.005 0.000 1.021 553 S CA 1.425 59.623 58.200 -0.004 0.000 0.974 553 S CB -0.841 62.356 63.200 -0.005 0.000 0.800 553 S HN 0.311 nan 8.310 nan 0.000 0.484 554 T N 2.822 117.372 114.554 -0.006 0.000 2.857 554 T HA 0.194 4.544 4.350 -0.001 0.000 0.266 554 T C 1.703 176.401 174.700 -0.004 0.000 1.048 554 T CA 1.111 63.206 62.100 -0.008 0.000 1.139 554 T CB -0.460 68.402 68.868 -0.011 0.000 0.874 554 T HN 0.284 nan 8.240 nan 0.000 0.455 555 L N 0.968 122.190 121.223 -0.002 0.000 2.012 555 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 555 L C 3.042 179.913 176.870 0.002 0.000 1.073 555 L CA 1.183 56.024 54.840 0.001 0.000 0.748 555 L CB -0.534 41.526 42.059 0.002 0.000 0.891 555 L HN 0.218 nan 8.230 nan 0.000 0.431 556 Q N -0.349 119.452 119.800 0.000 0.000 2.079 556 Q HA -0.149 4.191 4.340 -0.001 0.000 0.200 556 Q C 2.391 178.391 176.000 0.001 0.000 0.974 556 Q CA 1.983 57.787 55.803 0.001 0.000 0.840 556 Q CB -0.432 28.306 28.738 0.000 0.000 0.898 556 Q HN 0.631 nan 8.270 nan 0.000 0.430 557 S N -0.896 114.804 115.700 -0.001 0.000 2.503 557 S HA 0.081 4.551 4.470 -0.001 0.000 0.217 557 S C 1.414 176.013 174.600 -0.000 0.000 0.999 557 S CA 0.332 58.531 58.200 -0.001 0.000 0.914 557 S CB 0.254 63.453 63.200 -0.003 0.000 0.782 557 S HN 0.333 nan 8.310 nan 0.000 0.520 558 E N 0.123 120.323 120.200 -0.000 0.000 2.441 558 E HA 0.198 4.548 4.350 -0.001 0.000 0.207 558 E C 1.542 178.145 176.600 0.004 0.000 0.803 558 E CA 0.335 56.736 56.400 0.000 0.000 1.240 558 E CB 0.432 30.130 29.700 -0.004 0.000 1.233 558 E HN 0.272 nan 8.360 nan 0.000 0.590 559 V N 2.100 122.016 119.914 0.005 0.000 2.379 559 V HA -0.148 3.972 4.120 -0.001 0.000 0.243 559 V C 2.357 178.457 176.094 0.011 0.000 1.035 559 V CA 1.635 63.941 62.300 0.009 0.000 1.035 559 V CB -0.264 31.564 31.823 0.009 0.000 0.673 559 V HN 0.119 nan 8.190 nan 0.000 0.457 560 K N 0.573 120.978 120.400 0.008 0.000 2.020 560 K HA -0.214 4.106 4.320 -0.001 0.000 0.212 560 K C -0.154 176.452 176.600 0.009 0.000 1.050 560 K CA 2.217 58.509 56.287 0.008 0.000 0.929 560 K CB -1.174 31.329 32.500 0.005 0.000 0.714 560 K HN 0.366 nan 8.250 nan 0.000 0.443 561 P HA -0.195 nan 4.420 nan 0.000 0.216 561 P C 1.299 178.607 177.300 0.013 0.000 1.153 561 P CA 1.158 64.263 63.100 0.009 0.000 0.858 561 P CB 0.004 31.708 31.700 0.007 0.000 0.789 562 I N -1.259 119.319 120.570 0.014 0.000 2.179 562 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 562 I C 2.348 178.481 176.117 0.025 0.000 1.088 562 I CA 1.529 62.840 61.300 0.019 0.000 1.357 562 I CB -1.489 36.522 38.000 0.019 0.000 1.051 562 I HN -0.017 nan 8.210 nan 0.000 0.409 563 L N 0.245 121.483 121.223 0.025 0.000 2.083 563 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 563 L C 2.487 179.372 176.870 0.025 0.000 1.083 563 L CA 1.329 56.187 54.840 0.029 0.000 0.752 563 L CB -0.507 41.567 42.059 0.025 0.000 0.899 563 L HN 0.313 nan 8.230 nan 0.000 0.433 564 E N 0.415 120.626 120.200 0.018 0.000 2.106 564 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 564 E C 2.119 178.730 176.600 0.018 0.000 0.984 564 E CA 1.371 57.779 56.400 0.015 0.000 0.806 564 E CB -0.020 29.686 29.700 0.010 0.000 0.750 564 E HN 0.531 nan 8.360 nan 0.000 0.458 565 K N 1.064 121.477 120.400 0.021 0.000 2.217 565 K HA -0.085 4.235 4.320 -0.001 0.000 0.202 565 K C 1.937 178.555 176.600 0.031 0.000 1.051 565 K CA 0.901 57.202 56.287 0.023 0.000 0.952 565 K CB -0.126 32.387 32.500 0.021 0.000 0.736 565 K HN 0.092 nan 8.250 nan 0.000 0.453 566 L N 2.259 123.505 121.223 0.039 0.000 2.291 566 L HA -0.074 4.266 4.340 -0.001 0.000 0.214 566 L C 2.402 179.304 176.870 0.055 0.000 1.120 566 L CA 1.405 56.279 54.840 0.055 0.000 0.799 566 L CB -0.609 41.493 42.059 0.071 0.000 0.925 566 L HN 0.490 nan 8.230 nan 0.000 0.446 567 T N -4.195 110.381 114.554 0.038 0.000 3.035 567 T HA -0.101 4.249 4.350 -0.001 0.000 0.268 567 T C 1.429 176.146 174.700 0.028 0.000 1.109 567 T CA 0.466 62.583 62.100 0.028 0.000 1.119 567 T CB -0.016 68.860 68.868 0.013 0.000 0.900 567 T HN 0.177 nan 8.240 nan 0.000 0.503 568 Q N 1.481 121.298 119.800 0.029 0.000 2.211 568 Q HA 0.308 4.648 4.340 -0.001 0.000 0.231 568 Q C -0.206 175.813 176.000 0.031 0.000 0.865 568 Q CA -0.079 55.739 55.803 0.026 0.000 0.997 568 Q CB 0.034 28.784 28.738 0.020 0.000 1.101 568 Q HN 0.661 nan 8.270 nan 0.000 0.468 569 D N 1.013 121.439 120.400 0.042 0.000 2.283 569 D HA 0.001 4.641 4.640 -0.001 0.000 0.248 569 D C 1.091 177.418 176.300 0.045 0.000 1.072 569 D CA -0.066 53.964 54.000 0.049 0.000 0.929 569 D CB 1.359 42.202 40.800 0.071 0.000 1.182 569 D HN 0.049 nan 8.370 nan 0.000 0.433 570 Q N 2.014 121.839 119.800 0.041 0.000 2.378 570 Q HA -0.085 4.255 4.340 -0.001 0.000 0.205 570 Q C 0.033 176.058 176.000 0.042 0.000 0.954 570 Q CA 0.615 56.439 55.803 0.035 0.000 0.901 570 Q CB 0.097 28.851 28.738 0.027 0.000 0.981 570 Q HN 0.388 nan 8.270 nan 0.000 0.483 571 D N 0.962 121.399 120.400 0.061 0.000 2.308 571 D HA 0.092 4.731 4.640 -0.001 0.000 0.251 571 D C 1.188 177.532 176.300 0.073 0.000 1.127 571 D CA -0.223 53.822 54.000 0.075 0.000 0.876 571 D CB 1.853 42.722 40.800 0.115 0.000 1.176 571 D HN -0.121 nan 8.370 nan 0.000 0.446 572 V N 3.888 123.829 119.914 0.045 0.000 2.392 572 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 572 V C 1.706 177.811 176.094 0.019 0.000 1.059 572 V CA 1.627 63.939 62.300 0.020 0.000 1.051 572 V CB -0.327 31.486 31.823 -0.016 0.000 0.658 572 V HN 0.581 nan 8.190 nan 0.000 0.455 573 D N 0.012 120.428 120.400 0.027 0.000 2.162 573 D HA -0.067 4.573 4.640 -0.001 0.000 0.203 573 D C 2.228 178.637 176.300 0.182 0.000 0.967 573 D CA 1.038 55.035 54.000 -0.006 0.000 0.840 573 D CB -0.205 40.514 40.800 -0.136 0.000 0.972 573 D HN 0.360 nan 8.370 nan 0.000 0.482 574 V N 2.458 122.528 119.914 0.261 0.000 2.295 574 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 574 V C 2.514 178.728 176.094 0.201 0.000 1.049 574 V CA 2.101 64.590 62.300 0.315 0.000 1.024 574 V CB -0.639 31.331 31.823 0.245 0.000 0.648 574 V HN 0.326 nan 8.190 nan 0.000 0.447 575 K N -0.228 120.248 120.400 0.126 0.000 2.097 575 K HA -0.251 4.069 4.320 -0.001 0.000 0.206 575 K C 2.278 178.901 176.600 0.037 0.000 1.049 575 K CA 2.094 58.425 56.287 0.074 0.000 0.933 575 K CB -0.711 31.822 32.500 0.055 0.000 0.717 575 K HN 0.472 nan 8.250 nan 0.000 0.442 576 Y N 1.285 121.525 120.300 -0.100 0.000 2.089 576 Y HA -0.155 4.395 4.550 -0.001 0.000 0.282 576 Y C 1.734 177.501 175.900 -0.221 0.000 1.139 576 Y CA 1.457 59.415 58.100 -0.237 0.000 1.123 576 Y CB -0.368 37.815 38.460 -0.463 0.000 0.980 576 Y HN -0.046 nan 8.280 nan 0.000 0.493 577 F N 0.051 119.948 119.950 -0.089 0.000 2.365 577 F HA -0.038 4.489 4.527 -0.001 0.000 0.300 577 F C 2.474 178.212 175.800 -0.104 0.000 1.090 577 F CA 0.868 58.788 58.000 -0.134 0.000 1.408 577 F CB -1.101 37.959 39.000 0.100 0.000 1.060 577 F HN 0.194 nan 8.300 nan 0.000 0.534 578 A N -0.374 122.502 122.820 0.094 0.000 1.873 578 A HA -0.229 4.091 4.320 -0.001 0.000 0.215 578 A C 2.130 179.702 177.584 -0.019 0.000 1.186 578 A CA 1.670 53.743 52.037 0.060 0.000 0.616 578 A CB -0.764 18.276 19.000 0.065 0.000 0.823 578 A HN 0.325 nan 8.150 nan 0.000 0.442 579 Q N 0.119 119.866 119.800 -0.089 0.000 2.167 579 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 579 Q C 1.848 177.762 176.000 -0.143 0.000 0.970 579 Q CA 2.166 57.905 55.803 -0.107 0.000 0.855 579 Q CB -0.352 28.315 28.738 -0.118 0.000 0.911 579 Q HN 0.757 nan 8.270 nan 0.000 0.438 580 E N -0.862 119.188 120.200 -0.251 0.000 2.072 580 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 580 E C 1.768 178.328 176.600 -0.068 0.000 0.985 580 E CA 0.989 57.263 56.400 -0.209 0.000 0.801 580 E CB -0.247 29.259 29.700 -0.324 0.000 0.750 580 E HN 0.457 nan 8.360 nan 0.000 0.452 581 A N 1.228 124.035 122.820 -0.020 0.000 1.883 581 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 581 A C 2.221 179.806 177.584 0.001 0.000 1.186 581 A CA 1.326 53.373 52.037 0.016 0.000 0.624 581 A CB -0.807 18.219 19.000 0.044 0.000 0.822 581 A HN 0.330 nan 8.150 nan 0.000 0.444 582 L N -0.888 120.330 121.223 -0.010 0.000 2.042 582 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 582 L C 2.849 179.712 176.870 -0.012 0.000 1.076 582 L CA 1.926 56.761 54.840 -0.009 0.000 0.749 582 L CB -0.846 41.205 42.059 -0.013 0.000 0.893 582 L HN 0.388 nan 8.230 nan 0.000 0.432 583 T N -0.886 113.654 114.554 -0.024 0.000 2.737 583 T HA -0.136 4.213 4.350 -0.001 0.000 0.265 583 T C 1.940 176.635 174.700 -0.008 0.000 1.038 583 T CA 1.205 63.293 62.100 -0.019 0.000 1.144 583 T CB -0.171 68.679 68.868 -0.029 0.000 0.866 583 T HN 0.043 nan 8.240 nan 0.000 0.434 584 V N 1.527 121.437 119.914 -0.006 0.000 2.568 584 V HA -0.042 4.078 4.120 -0.001 0.000 0.253 584 V C 1.961 178.059 176.094 0.007 0.000 1.072 584 V CA 1.328 63.631 62.300 0.005 0.000 1.084 584 V CB -0.585 31.246 31.823 0.014 0.000 0.676 584 V HN 0.468 nan 8.190 nan 0.000 0.469 585 L N -0.417 120.809 121.223 0.005 0.000 2.653 585 L HA 0.208 4.548 4.340 -0.001 0.000 0.231 585 L C 1.144 178.016 176.870 0.004 0.000 1.153 585 L CA 0.035 54.879 54.840 0.006 0.000 0.933 585 L CB -0.106 41.958 42.059 0.008 0.000 1.175 585 L HN 0.316 nan 8.230 nan 0.000 0.473 586 S N 0.392 116.093 115.700 0.002 0.000 3.533 586 S HA -0.175 4.294 4.470 -0.001 0.000 0.347 586 S C 0.863 175.464 174.600 0.000 0.000 1.101 586 S CA 0.525 58.725 58.200 0.001 0.000 1.009 586 S CB -1.420 61.781 63.200 0.002 0.000 0.916 586 S HN 0.417 nan 8.310 nan 0.000 0.496 587 L N -0.586 120.637 121.223 -0.000 0.000 2.769 587 L HA 0.390 4.730 4.340 -0.001 0.000 0.240 587 L C 1.377 178.246 176.870 -0.002 0.000 1.163 587 L CA 0.167 55.007 54.840 0.000 0.000 0.962 587 L CB -0.221 41.839 42.059 0.002 0.000 1.258 587 L HN 0.517 nan 8.230 nan 0.000 0.513 588 A N 0.000 122.818 122.820 -0.004 0.000 2.254 588 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 588 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 588 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 588 A HN 0.000 nan 8.150 nan 0.000 0.486