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 2hn9_1_C DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQXXXXXXX XMKQTESHAV KIVVEAARRL DATA SEQUENCE L 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.595 176.600 -0.008 0.000 0.988 2003 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 2003 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 2004 S N 1.354 117.043 115.700 -0.019 0.000 2.549 2004 S HA 0.007 4.492 4.470 0.023 0.000 0.286 2004 S C 0.526 175.123 174.600 -0.005 0.000 1.314 2004 S CA 0.123 58.310 58.200 -0.022 0.000 1.062 2004 S CB 0.632 63.794 63.200 -0.063 0.000 0.865 2004 S HN 0.170 nan 8.310 nan 0.000 0.498 2005 D N 1.935 122.338 120.400 0.005 0.000 2.323 2005 D HA 0.073 4.727 4.640 0.023 0.000 0.209 2005 D C 0.703 177.022 176.300 0.031 0.000 0.973 2005 D CA 0.753 54.764 54.000 0.018 0.000 0.874 2005 D CB 0.107 40.918 40.800 0.018 0.000 0.930 2005 D HN 0.454 nan 8.370 nan 0.000 0.521 2006 V N -2.594 117.337 119.914 0.029 0.000 2.960 2006 V HA 0.382 4.516 4.120 0.023 0.000 0.315 2006 V C 0.762 176.890 176.094 0.055 0.000 1.087 2006 V CA -1.001 61.334 62.300 0.058 0.000 0.982 2006 V CB 1.715 33.569 31.823 0.051 0.000 1.039 2006 V HN -0.170 nan 8.190 nan 0.000 0.437 2007 F N 0.846 120.748 119.950 -0.080 0.000 2.234 2007 F HA 0.120 4.661 4.527 0.023 0.000 0.296 2007 F C 1.901 177.503 175.800 -0.329 0.000 1.089 2007 F CA 2.230 60.101 58.000 -0.214 0.000 1.343 2007 F CB -0.027 38.808 39.000 -0.275 0.000 1.040 2007 F HN 0.820 nan 8.300 nan 0.000 0.498 2008 H N -1.249 117.762 119.070 -0.098 0.000 2.460 2008 H HA 0.229 4.800 4.556 0.024 0.000 0.297 2008 H C 2.049 177.299 175.328 -0.129 0.000 1.023 2008 H CA 1.027 56.980 56.048 -0.158 0.000 1.321 2008 H CB -0.231 29.453 29.762 -0.129 0.000 1.455 2008 H HN 0.088 nan 8.280 nan 0.000 0.539 2009 L N -0.034 121.181 121.223 -0.014 0.000 2.376 2009 L HA 0.101 4.455 4.340 0.023 0.000 0.219 2009 L C 1.040 177.996 176.870 0.143 0.000 1.133 2009 L CA 0.681 55.554 54.840 0.056 0.000 0.816 2009 L CB -0.436 41.620 42.059 -0.004 0.000 0.933 2009 L HN 0.542 nan 8.230 nan 0.000 0.449 2010 G N 1.387 110.160 108.800 -0.044 0.000 2.295 2010 G HA2 -0.270 3.704 3.960 0.023 0.000 0.287 2010 G HA3 -0.270 3.704 3.960 0.023 0.000 0.287 2010 G C -0.227 174.708 174.900 0.058 0.000 1.055 2010 G CA 0.118 45.172 45.100 -0.078 0.000 0.922 2010 G HN 0.262 nan 8.290 nan 0.000 0.503 2011 L N -0.254 120.987 121.223 0.029 0.000 2.371 2011 L HA 0.823 5.177 4.340 0.023 0.000 0.262 2011 L C 0.711 177.591 176.870 0.017 0.000 1.006 2011 L CA -0.596 54.264 54.840 0.033 0.000 0.818 2011 L CB 2.481 44.566 42.059 0.043 0.000 1.354 2011 L HN 0.378 nan 8.230 nan 0.000 0.415 2012 T N -3.083 111.479 114.554 0.013 0.000 2.950 2012 T HA 0.303 4.667 4.350 0.023 0.000 0.288 2012 T C 0.615 175.321 174.700 0.010 0.000 1.035 2012 T CA -0.789 61.317 62.100 0.009 0.000 1.028 2012 T CB 2.098 70.968 68.868 0.004 0.000 1.109 2012 T HN 0.630 nan 8.240 nan 0.000 0.514 2013 K N 0.336 120.742 120.400 0.009 0.000 2.147 2013 K HA -0.157 4.177 4.320 0.023 0.000 0.205 2013 K C 2.029 178.631 176.600 0.003 0.000 1.049 2013 K CA 1.500 57.791 56.287 0.008 0.000 0.936 2013 K CB -0.287 32.218 32.500 0.009 0.000 0.722 2013 K HN 0.693 nan 8.250 nan 0.000 0.446 2014 N N 1.131 119.831 118.700 0.001 0.000 2.166 2014 N HA -0.161 4.593 4.740 0.023 0.000 0.186 2014 N C 1.107 176.614 175.510 -0.006 0.000 1.019 2014 N CA 1.674 54.722 53.050 -0.003 0.000 0.856 2014 N CB -0.025 38.460 38.487 -0.004 0.000 0.993 2014 N HN 0.141 nan 8.380 nan 0.000 0.426 2015 D N -0.225 120.172 120.400 -0.005 0.000 2.221 2015 D HA -0.121 4.533 4.640 0.023 0.000 0.204 2015 D C 1.552 177.847 176.300 -0.008 0.000 0.982 2015 D CA 0.683 54.677 54.000 -0.010 0.000 0.857 2015 D CB -0.099 40.698 40.800 -0.005 0.000 0.934 2015 D HN 0.312 nan 8.370 nan 0.000 0.475 2016 L N 0.344 121.566 121.223 -0.002 0.000 2.313 2016 L HA -0.001 4.353 4.340 0.023 0.000 0.214 2016 L C 0.720 177.586 176.870 -0.006 0.000 1.119 2016 L CA 0.538 55.376 54.840 -0.002 0.000 0.809 2016 L CB -0.215 41.842 42.059 -0.003 0.000 0.933 2016 L HN -0.067 nan 8.230 nan 0.000 0.449 2017 Q N -0.081 119.716 119.800 -0.006 0.000 2.453 2017 Q HA -0.254 4.100 4.340 0.023 0.000 0.294 2017 Q C 1.152 177.147 176.000 -0.007 0.000 1.295 2017 Q CA 0.900 56.699 55.803 -0.007 0.000 0.853 2017 Q CB -2.317 26.417 28.738 -0.007 0.000 1.193 2017 Q HN 0.671 nan 8.270 nan 0.000 0.461 2018 G N -1.817 106.978 108.800 -0.008 0.000 2.143 2018 G HA2 -0.251 3.723 3.960 0.023 0.000 0.249 2018 G HA3 -0.251 3.723 3.960 0.023 0.000 0.249 2018 G C 0.326 175.216 174.900 -0.017 0.000 0.981 2018 G CA 0.476 45.569 45.100 -0.011 0.000 0.665 2018 G HN 1.213 nan 8.290 nan 0.000 0.528 2019 A N -0.489 122.319 122.820 -0.020 0.000 2.477 2019 A HA 0.629 4.963 4.320 0.023 0.000 0.246 2019 A C 1.030 178.582 177.584 -0.053 0.000 1.078 2019 A CA 1.133 53.151 52.037 -0.033 0.000 0.770 2019 A CB 0.317 19.299 19.000 -0.029 0.000 1.011 2019 A HN 0.550 nan 8.150 nan 0.000 0.494 2020 Q N 0.961 120.720 119.800 -0.069 0.000 2.185 2020 Q HA 0.325 4.679 4.340 0.023 0.000 0.234 2020 Q C -0.443 175.460 176.000 -0.160 0.000 0.819 2020 Q CA 0.020 55.766 55.803 -0.094 0.000 0.961 2020 Q CB 0.749 29.451 28.738 -0.061 0.000 1.140 2020 Q HN 0.737 nan 8.270 nan 0.000 0.492 2021 L N 0.490 121.621 121.223 -0.154 0.000 2.362 2021 L HA 0.819 5.173 4.340 0.023 0.000 0.271 2021 L C -1.755 174.996 176.870 -0.198 0.000 1.002 2021 L CA -0.693 54.029 54.840 -0.198 0.000 0.818 2021 L CB 1.812 43.802 42.059 -0.114 0.000 1.298 2021 L HN -0.092 nan 8.230 nan 0.000 0.420 2022 A N 4.859 127.517 122.820 -0.271 0.000 2.374 2022 A HA 0.717 5.051 4.320 0.023 0.000 0.305 2022 A C -1.215 176.342 177.584 -0.046 0.000 1.053 2022 A CA -0.493 51.455 52.037 -0.148 0.000 0.726 2022 A CB 1.188 20.088 19.000 -0.167 0.000 1.229 2022 A HN 0.565 nan 8.150 nan 0.000 0.431 2023 I N 2.112 122.688 120.570 0.009 0.000 2.371 2023 I HA 0.335 4.519 4.170 0.023 0.000 0.290 2023 I C 0.153 176.317 176.117 0.078 0.000 1.028 2023 I CA -0.060 61.265 61.300 0.040 0.000 1.345 2023 I CB 1.757 39.771 38.000 0.023 0.000 1.407 2023 I HN 0.430 nan 8.210 nan 0.000 0.501 2024 V N 6.342 126.318 119.914 0.103 0.000 2.276 2024 V HA 0.552 4.686 4.120 0.023 0.000 0.268 2024 V C -2.503 173.639 176.094 0.080 0.000 1.032 2024 V CA -1.780 60.593 62.300 0.121 0.000 0.810 2024 V CB 0.236 32.168 31.823 0.181 0.000 1.060 2024 V HN 0.481 nan 8.190 nan 0.000 0.446 2025 P HA 0.299 nan 4.420 nan 0.000 0.276 2025 P C 1.017 178.340 177.300 0.038 0.000 1.261 2025 P CA 0.262 63.382 63.100 0.034 0.000 0.800 2025 P CB 1.766 33.473 31.700 0.012 0.000 1.066 2026 G N -0.142 108.670 108.800 0.020 0.000 2.396 2026 G HA2 -0.082 3.892 3.960 0.023 0.000 0.214 2026 G HA3 -0.082 3.892 3.960 0.023 0.000 0.214 2026 G C 0.315 175.212 174.900 -0.006 0.000 1.166 2026 G CA 0.448 45.555 45.100 0.011 0.000 0.793 2026 G HN 0.500 nan 8.290 nan 0.000 0.533 2027 D N 0.307 120.699 120.400 -0.013 0.000 2.295 2027 D HA 0.291 4.946 4.640 0.023 0.000 0.248 2027 D C -1.456 174.831 176.300 -0.023 0.000 1.154 2027 D CA -2.313 51.670 54.000 -0.028 0.000 0.857 2027 D CB 1.997 42.777 40.800 -0.034 0.000 1.117 2027 D HN -0.070 nan 8.370 nan 0.000 0.468 2028 P HA -0.113 nan 4.420 nan 0.000 0.218 2028 P C 0.787 178.076 177.300 -0.018 0.000 1.148 2028 P CA 0.990 64.087 63.100 -0.005 0.000 0.822 2028 P CB 0.360 32.051 31.700 -0.016 0.000 0.784 2029 E N -0.942 119.237 120.200 -0.036 0.000 2.347 2029 E HA -0.065 4.299 4.350 0.023 0.000 0.196 2029 E C 1.782 178.330 176.600 -0.086 0.000 1.008 2029 E CA 0.500 56.868 56.400 -0.053 0.000 0.852 2029 E CB -0.074 29.598 29.700 -0.046 0.000 0.783 2029 E HN 0.213 nan 8.360 nan 0.000 0.505 2030 R N 0.440 120.893 120.500 -0.079 0.000 2.276 2030 R HA 0.031 4.385 4.340 0.023 0.000 0.196 2030 R C 2.224 178.443 176.300 -0.136 0.000 0.961 2030 R CA 0.196 56.239 56.100 -0.095 0.000 1.024 2030 R CB -0.339 29.924 30.300 -0.062 0.000 0.940 2030 R HN 0.063 nan 8.270 nan 0.000 0.480 2031 V N 1.294 121.123 119.914 -0.141 0.000 2.255 2031 V HA -0.268 3.866 4.120 0.023 0.000 0.247 2031 V C 2.445 178.283 176.094 -0.427 0.000 1.051 2031 V CA 2.162 64.356 62.300 -0.178 0.000 1.018 2031 V CB -0.450 31.336 31.823 -0.061 0.000 0.641 2031 V HN 0.368 nan 8.190 nan 0.000 0.445 2032 E N 0.165 119.943 120.200 -0.704 0.000 2.110 2032 E HA -0.262 4.102 4.350 0.023 0.000 0.193 2032 E C 2.232 178.470 176.600 -0.603 0.000 0.988 2032 E CA 1.387 57.105 56.400 -1.135 0.000 0.804 2032 E CB -0.053 28.995 29.700 -1.087 0.000 0.745 2032 E HN 0.606 nan 8.360 nan 0.000 0.458 2033 K N -0.054 120.131 120.400 -0.359 0.000 2.057 2033 K HA -0.159 4.175 4.320 0.023 0.000 0.207 2033 K C 2.098 178.594 176.600 -0.172 0.000 1.049 2033 K CA 1.412 57.567 56.287 -0.220 0.000 0.931 2033 K CB -0.111 32.296 32.500 -0.154 0.000 0.714 2033 K HN 0.149 nan 8.250 nan 0.000 0.440 2034 I N 1.057 121.529 120.570 -0.163 0.000 2.233 2034 I HA -0.210 3.974 4.170 0.023 0.000 0.243 2034 I C 2.336 178.397 176.117 -0.093 0.000 1.093 2034 I CA 1.172 62.411 61.300 -0.101 0.000 1.380 2034 I CB -0.366 37.593 38.000 -0.068 0.000 1.067 2034 I HN 0.102 nan 8.210 nan 0.000 0.413 2035 A N 0.240 122.978 122.820 -0.137 0.000 2.015 2035 A HA -0.060 4.274 4.320 0.023 0.000 0.219 2035 A C 2.432 179.988 177.584 -0.046 0.000 1.163 2035 A CA 1.524 53.526 52.037 -0.058 0.000 0.646 2035 A CB -0.914 18.081 19.000 -0.008 0.000 0.806 2035 A HN 0.392 nan 8.150 nan 0.000 0.448 2036 A N -0.458 122.288 122.820 -0.124 0.000 2.121 2036 A HA 0.120 4.454 4.320 0.023 0.000 0.218 2036 A C 1.864 179.426 177.584 -0.037 0.000 1.154 2036 A CA 0.968 52.959 52.037 -0.076 0.000 0.679 2036 A CB -0.451 18.476 19.000 -0.122 0.000 0.795 2036 A HN 0.477 nan 8.150 nan 0.000 0.458 2037 L N -1.346 119.854 121.223 -0.039 0.000 2.554 2037 L HA 0.122 4.476 4.340 0.023 0.000 0.226 2037 L C 0.844 177.711 176.870 -0.005 0.000 1.137 2037 L CA 0.168 54.995 54.840 -0.022 0.000 0.863 2037 L CB -0.328 41.716 42.059 -0.025 0.000 0.985 2037 L HN 0.428 nan 8.230 nan 0.000 0.451 2038 M N -1.513 118.090 119.600 0.005 0.000 2.821 2038 M HA 0.311 4.805 4.480 0.023 0.000 0.304 2038 M C -0.707 175.611 176.300 0.030 0.000 1.233 2038 M CA -0.888 54.423 55.300 0.017 0.000 0.851 2038 M CB 1.560 34.172 32.600 0.021 0.000 1.723 2038 M HN -0.186 nan 8.290 nan 0.000 0.493 2039 D N 1.341 121.759 120.400 0.029 0.000 2.341 2039 D HA 0.140 4.794 4.640 0.023 0.000 0.245 2039 D C -0.426 175.902 176.300 0.047 0.000 1.106 2039 D CA 0.134 54.153 54.000 0.032 0.000 0.905 2039 D CB 0.613 41.426 40.800 0.022 0.000 1.202 2039 D HN 0.442 nan 8.370 nan 0.000 0.426 2040 K N -0.074 120.355 120.400 0.049 0.000 3.451 2040 K HA -0.137 4.197 4.320 0.023 0.000 0.273 2040 K C -2.373 174.280 176.600 0.089 0.000 0.944 2040 K CA 0.074 56.394 56.287 0.055 0.000 0.734 2040 K CB -1.152 31.368 32.500 0.033 0.000 1.437 2040 K HN 0.353 nan 8.250 nan 0.000 0.454 2041 P HA 0.221 nan 4.420 nan 0.000 0.282 2041 P C -0.606 176.857 177.300 0.271 0.000 1.262 2041 P CA -0.276 62.992 63.100 0.281 0.000 0.773 2041 P CB 1.704 33.605 31.700 0.334 0.000 0.879 2042 V N 3.629 123.600 119.914 0.095 0.000 2.888 2042 V HA 0.337 4.471 4.120 0.023 0.000 0.309 2042 V C -0.254 175.317 176.094 -0.872 0.000 1.114 2042 V CA -1.158 60.937 62.300 -0.341 0.000 0.940 2042 V CB 2.355 34.062 31.823 -0.193 0.000 1.021 2042 V HN 0.485 nan 8.190 nan 0.000 0.426 2043 K N 4.372 123.838 120.400 -1.557 0.000 2.350 2043 K HA 0.367 4.701 4.320 0.023 0.000 0.279 2043 K C 0.204 176.409 176.600 -0.659 0.000 1.027 2043 K CA -0.116 55.206 56.287 -1.608 0.000 0.969 2043 K CB 0.979 32.722 32.500 -1.262 0.000 0.954 2043 K HN 0.734 nan 8.250 nan 0.000 0.474 2044 L N 2.222 123.187 121.223 -0.430 0.000 2.356 2044 L HA 0.366 4.720 4.340 0.023 0.000 0.193 2044 L C 0.417 177.213 176.870 -0.123 0.000 1.087 2044 L CA 0.075 54.800 54.840 -0.192 0.000 0.817 2044 L CB 0.291 42.300 42.059 -0.084 0.000 1.035 2044 L HN 0.728 nan 8.230 nan 0.000 0.482 2045 A N -1.009 121.761 122.820 -0.083 0.000 2.610 2045 A HA 0.642 4.976 4.320 0.023 0.000 0.291 2045 A C -1.218 176.322 177.584 -0.074 0.000 1.086 2045 A CA -0.282 51.717 52.037 -0.064 0.000 0.677 2045 A CB 1.791 20.840 19.000 0.081 0.000 1.278 2045 A HN -0.109 nan 8.150 nan 0.000 0.414 2046 S N 0.714 116.250 115.700 -0.273 0.000 2.737 2046 S HA 0.617 5.101 4.470 0.023 0.000 0.269 2046 S C -1.724 172.599 174.600 -0.461 0.000 1.150 2046 S CA -0.484 57.596 58.200 -0.201 0.000 1.077 2046 S CB 0.236 63.375 63.200 -0.101 0.000 1.075 2046 S HN 0.689 nan 8.310 nan 0.000 0.476 2047 H N 4.152 123.294 119.070 0.119 0.000 2.840 2047 H HA 0.509 5.079 4.556 0.023 0.000 0.340 2047 H C 0.622 176.023 175.328 0.122 0.000 1.004 2047 H CA -0.493 55.624 56.048 0.114 0.000 1.288 2047 H CB 1.372 31.210 29.762 0.128 0.000 1.607 2047 H HN 0.765 nan 8.280 nan 0.000 0.522 2048 R N 0.719 121.291 120.500 0.119 0.000 3.869 2048 R HA -0.232 4.122 4.340 0.023 0.000 0.424 2048 R C 1.015 177.212 176.300 -0.171 0.000 0.241 2048 R CA 1.882 57.967 56.100 -0.025 0.000 1.351 2048 R CB -0.836 29.455 30.300 -0.014 0.000 0.979 2048 R HN 0.715 nan 8.270 nan 0.000 0.572 2049 E N 2.286 122.196 120.200 -0.483 0.000 2.445 2049 E HA 0.035 4.399 4.350 0.023 0.000 0.189 2049 E C -0.090 176.209 176.600 -0.502 0.000 1.069 2049 E CA 0.560 56.652 56.400 -0.514 0.000 0.871 2049 E CB 0.093 29.469 29.700 -0.539 0.000 0.991 2049 E HN 0.403 nan 8.360 nan 0.000 0.481 2050 F N 1.662 121.656 119.950 0.075 0.000 2.310 2050 F HA 0.294 4.834 4.527 0.022 0.000 0.365 2050 F C 0.049 175.904 175.800 0.093 0.000 1.080 2050 F CA -0.808 57.246 58.000 0.091 0.000 1.187 2050 F CB 1.235 40.306 39.000 0.117 0.000 1.465 2050 F HN -0.306 nan 8.300 nan 0.000 0.496 2051 T N 1.549 116.229 114.554 0.209 0.000 2.744 2051 T HA 0.396 4.760 4.350 0.023 0.000 0.291 2051 T C -0.038 174.812 174.700 0.251 0.000 0.957 2051 T CA -0.693 61.524 62.100 0.196 0.000 1.002 2051 T CB 0.931 69.897 68.868 0.164 0.000 0.919 2051 T HN 0.480 nan 8.240 nan 0.000 0.468 2052 S N 2.497 118.345 115.700 0.247 0.000 2.502 2052 S HA 0.720 5.204 4.470 0.023 0.000 0.304 2052 S C -1.408 173.353 174.600 0.269 0.000 1.097 2052 S CA -1.027 57.318 58.200 0.242 0.000 1.045 2052 S CB 1.025 64.320 63.200 0.159 0.000 1.019 2052 S HN 0.653 nan 8.310 nan 0.000 0.481 2053 W N 1.412 122.728 121.300 0.028 0.000 2.781 2053 W HA 0.645 5.319 4.660 0.023 0.000 0.345 2053 W C 0.269 176.795 176.519 0.011 0.000 1.085 2053 W CA -0.874 56.480 57.345 0.015 0.000 1.198 2053 W CB 1.800 31.266 29.460 0.010 0.000 1.423 2053 W HN 0.676 nan 8.180 nan 0.000 0.532 2054 R N 1.736 122.341 120.500 0.175 0.000 2.562 2054 R HA 0.843 5.197 4.340 0.023 0.000 0.298 2054 R C -0.667 175.713 176.300 0.135 0.000 0.961 2054 R CA -0.350 55.816 56.100 0.110 0.000 0.881 2054 R CB 1.372 31.691 30.300 0.031 0.000 1.159 2054 R HN 0.632 nan 8.270 nan 0.000 0.450 2055 A N 2.804 125.687 122.820 0.105 0.000 2.475 2055 A HA 0.552 4.886 4.320 0.023 0.000 0.281 2055 A C -1.396 176.217 177.584 0.049 0.000 1.263 2055 A CA -0.659 51.432 52.037 0.091 0.000 0.776 2055 A CB 1.747 20.804 19.000 0.095 0.000 1.347 2055 A HN 0.722 nan 8.150 nan 0.000 0.443 2056 E N -0.702 119.522 120.200 0.039 0.000 2.248 2056 E HA 0.572 4.936 4.350 0.023 0.000 0.267 2056 E C -2.291 174.319 176.600 0.017 0.000 0.877 2056 E CA -0.572 55.841 56.400 0.022 0.000 0.759 2056 E CB 1.962 31.674 29.700 0.019 0.000 1.182 2056 E HN 0.427 nan 8.360 nan 0.000 0.418 2057 L N 4.516 125.744 121.223 0.009 0.000 2.457 2057 L HA 0.323 4.677 4.340 0.023 0.000 0.266 2057 L C -1.237 175.634 176.870 0.001 0.000 0.979 2057 L CA -0.077 54.765 54.840 0.004 0.000 0.857 2057 L CB 1.289 43.348 42.059 0.001 0.000 1.213 2057 L HN 0.637 nan 8.230 nan 0.000 0.418 2058 D N 4.267 124.668 120.400 0.001 0.000 2.772 2058 D HA -0.199 4.455 4.640 0.023 0.000 0.233 2058 D C 1.094 177.394 176.300 -0.000 0.000 1.143 2058 D CA 1.515 55.515 54.000 -0.000 0.000 0.700 2058 D CB -1.089 39.709 40.800 -0.002 0.000 1.076 2058 D HN 1.209 nan 8.370 nan 0.000 0.430 2059 G N -0.813 107.988 108.800 0.002 0.000 2.195 2059 G HA2 -0.341 3.633 3.960 0.023 0.000 0.246 2059 G HA3 -0.341 3.633 3.960 0.023 0.000 0.246 2059 G C 0.262 175.162 174.900 0.000 0.000 0.984 2059 G CA 0.593 45.693 45.100 0.001 0.000 0.633 2059 G HN 0.473 nan 8.290 nan 0.000 0.525 2060 K N 0.641 121.041 120.400 -0.001 0.000 2.221 2060 K HA 0.721 5.055 4.320 0.023 0.000 0.258 2060 K C 0.422 177.021 176.600 -0.003 0.000 0.944 2060 K CA -0.113 56.172 56.287 -0.004 0.000 0.823 2060 K CB 1.925 34.420 32.500 -0.008 0.000 1.113 2060 K HN 0.485 nan 8.250 nan 0.000 0.431 2061 A N 2.105 124.922 122.820 -0.004 0.000 2.477 2061 A HA 0.365 4.699 4.320 0.023 0.000 0.246 2061 A C -0.028 177.552 177.584 -0.007 0.000 1.078 2061 A CA -0.355 51.682 52.037 -0.001 0.000 0.770 2061 A CB -0.014 18.984 19.000 -0.002 0.000 1.011 2061 A HN 0.523 nan 8.150 nan 0.000 0.494 2062 V N 0.887 120.803 119.914 0.003 0.000 2.962 2062 V HA 0.747 4.881 4.120 0.023 0.000 0.313 2062 V C -0.591 175.513 176.094 0.017 0.000 1.099 2062 V CA -1.104 61.194 62.300 -0.004 0.000 0.971 2062 V CB 1.746 33.568 31.823 -0.002 0.000 1.028 2062 V HN 0.638 nan 8.190 nan 0.000 0.430 2063 I N 3.079 123.651 120.570 0.004 0.000 2.460 2063 I HA 0.593 4.777 4.170 0.023 0.000 0.298 2063 I C -0.274 175.877 176.117 0.056 0.000 0.989 2063 I CA -0.703 60.620 61.300 0.038 0.000 1.173 2063 I CB 1.837 39.848 38.000 0.019 0.000 1.338 2063 I HN 0.539 nan 8.210 nan 0.000 0.456 2064 V N 5.075 125.054 119.914 0.108 0.000 2.378 2064 V HA 0.431 4.565 4.120 0.023 0.000 0.288 2064 V C -0.385 175.797 176.094 0.147 0.000 1.016 2064 V CA -0.471 61.893 62.300 0.106 0.000 0.840 2064 V CB 1.969 33.842 31.823 0.084 0.000 0.994 2064 V HN 0.908 nan 8.190 nan 0.000 0.431 2065 C N 5.053 124.435 119.300 0.137 0.000 2.608 2065 C HA 0.720 5.194 4.460 0.023 0.000 0.325 2065 C C 0.539 175.631 174.990 0.169 0.000 1.147 2065 C CA -0.358 58.763 59.018 0.172 0.000 1.359 2065 C CB 1.215 29.062 27.740 0.178 0.000 1.912 2065 C HN 1.042 nan 8.230 nan 0.000 0.466 2066 S N 3.283 119.089 115.700 0.176 0.000 2.592 2066 S HA 0.407 4.891 4.470 0.023 0.000 0.271 2066 S C 0.894 175.631 174.600 0.228 0.000 1.326 2066 S CA 0.399 58.685 58.200 0.144 0.000 1.024 2066 S CB 1.339 64.588 63.200 0.080 0.000 0.921 2066 S HN 1.052 nan 8.310 nan 0.000 0.527 2067 T N -1.531 113.118 114.554 0.159 0.000 2.990 2067 T HA 0.540 4.904 4.350 0.023 0.000 0.249 2067 T C 1.186 175.939 174.700 0.088 0.000 1.039 2067 T CA 0.373 62.599 62.100 0.210 0.000 1.036 2067 T CB -0.820 68.124 68.868 0.127 0.000 0.994 2067 T HN 1.951 nan 8.240 nan 0.000 0.489 2068 G N 1.554 110.338 108.800 -0.026 0.000 2.760 2068 G HA2 -0.100 3.874 3.960 0.023 0.000 0.246 2068 G HA3 -0.100 3.874 3.960 0.023 0.000 0.246 2068 G C -0.660 174.218 174.900 -0.037 0.000 1.359 2068 G CA -0.519 44.526 45.100 -0.092 0.000 0.861 2068 G HN 0.643 nan 8.290 nan 0.000 0.541 2069 I N 2.178 122.720 120.570 -0.047 0.000 2.371 2069 I HA 0.530 4.714 4.170 0.023 0.000 0.290 2069 I C 1.095 177.207 176.117 -0.010 0.000 1.028 2069 I CA 0.994 62.280 61.300 -0.024 0.000 1.345 2069 I CB 0.642 38.622 38.000 -0.034 0.000 1.407 2069 I HN 2.031 nan 8.210 nan 0.000 0.501 2070 G N 3.921 112.722 108.800 0.003 0.000 2.663 2070 G HA2 -0.087 3.887 3.960 0.023 0.000 0.686 2070 G HA3 -0.087 3.887 3.960 0.023 0.000 0.686 2070 G C 0.536 175.441 174.900 0.009 0.000 1.246 2070 G CA -0.468 44.636 45.100 0.006 0.000 0.795 2070 G HN 0.920 nan 8.290 nan 0.000 0.627 2071 G N 0.394 109.196 108.800 0.003 0.000 2.446 2071 G HA2 0.056 4.030 3.960 0.023 0.000 0.217 2071 G HA3 0.056 4.030 3.960 0.023 0.000 0.217 2071 G C 0.162 175.066 174.900 0.007 0.000 1.168 2071 G CA 2.130 47.229 45.100 -0.001 0.000 0.771 2071 G HN 0.699 nan 8.290 nan 0.000 0.551 2072 P HA -0.114 nan 4.420 nan 0.000 0.214 2072 P C 2.304 179.632 177.300 0.046 0.000 1.163 2072 P CA 1.896 65.001 63.100 0.008 0.000 0.889 2072 P CB -0.127 31.574 31.700 0.002 0.000 0.790 2073 S N -1.798 113.944 115.700 0.071 0.000 2.368 2073 S HA -0.130 4.354 4.470 0.023 0.000 0.224 2073 S C 1.906 176.637 174.600 0.218 0.000 1.029 2073 S CA 1.941 60.242 58.200 0.169 0.000 0.988 2073 S CB -1.310 61.940 63.200 0.084 0.000 0.838 2073 S HN 0.147 nan 8.310 nan 0.000 0.462 2074 T N 1.802 116.421 114.554 0.108 0.000 2.684 2074 T HA -0.128 4.236 4.350 0.023 0.000 0.267 2074 T C 2.208 176.899 174.700 -0.015 0.000 1.036 2074 T CA 1.785 63.918 62.100 0.055 0.000 1.148 2074 T CB -0.673 68.194 68.868 -0.001 0.000 0.863 2074 T HN 0.717 nan 8.240 nan 0.000 0.436 2075 S N 1.273 116.968 115.700 -0.010 0.000 2.399 2075 S HA -0.057 4.427 4.470 0.023 0.000 0.231 2075 S C 2.063 176.657 174.600 -0.010 0.000 1.022 2075 S CA 0.868 59.066 58.200 -0.003 0.000 0.983 2075 S CB -0.782 62.509 63.200 0.153 0.000 0.803 2075 S HN 0.510 nan 8.310 nan 0.000 0.480 2076 I N 2.052 122.595 120.570 -0.046 0.000 2.202 2076 I HA -0.081 4.103 4.170 0.023 0.000 0.242 2076 I C 3.097 179.064 176.117 -0.251 0.000 1.091 2076 I CA 1.058 62.254 61.300 -0.173 0.000 1.368 2076 I CB -0.681 37.114 38.000 -0.342 0.000 1.058 2076 I HN 0.427 nan 8.210 nan 0.000 0.410 2077 A N 0.507 123.176 122.820 -0.251 0.000 1.858 2077 A HA -0.160 4.174 4.320 0.023 0.000 0.216 2077 A C 2.424 179.966 177.584 -0.071 0.000 1.190 2077 A CA 1.911 53.823 52.037 -0.207 0.000 0.617 2077 A CB -1.046 17.965 19.000 0.019 0.000 0.827 2077 A HN 0.221 nan 8.150 nan 0.000 0.443 2078 V N 0.297 120.133 119.914 -0.131 0.000 2.295 2078 V HA -0.269 3.865 4.120 0.023 0.000 0.246 2078 V C 2.646 178.656 176.094 -0.140 0.000 1.049 2078 V CA 2.531 64.646 62.300 -0.308 0.000 1.024 2078 V CB -0.864 30.569 31.823 -0.651 0.000 0.648 2078 V HN 0.768 nan 8.190 nan 0.000 0.447 2079 E N 0.961 121.102 120.200 -0.098 0.000 2.058 2079 E HA -0.263 4.101 4.350 0.023 0.000 0.194 2079 E C 2.077 178.701 176.600 0.041 0.000 0.997 2079 E CA 2.142 58.541 56.400 -0.002 0.000 0.801 2079 E CB -0.343 29.385 29.700 0.047 0.000 0.746 2079 E HN 0.688 nan 8.360 nan 0.000 0.450 2080 E N -0.319 119.893 120.200 0.020 0.000 2.152 2080 E HA -0.067 4.297 4.350 0.023 0.000 0.192 2080 E C 2.236 178.875 176.600 0.064 0.000 0.983 2080 E CA 0.742 57.163 56.400 0.036 0.000 0.818 2080 E CB -0.070 29.631 29.700 0.002 0.000 0.758 2080 E HN 0.316 nan 8.360 nan 0.000 0.467 2081 L N 0.515 121.803 121.223 0.108 0.000 2.093 2081 L HA -0.117 4.237 4.340 0.023 0.000 0.208 2081 L C 2.540 179.522 176.870 0.187 0.000 1.085 2081 L CA 0.802 55.741 54.840 0.166 0.000 0.755 2081 L CB -0.347 41.889 42.059 0.294 0.000 0.904 2081 L HN 0.133 nan 8.230 nan 0.000 0.435 2082 A N -0.521 122.453 122.820 0.256 0.000 1.930 2082 A HA -0.231 4.103 4.320 0.023 0.000 0.217 2082 A C 2.207 179.858 177.584 0.110 0.000 1.175 2082 A CA 1.341 53.508 52.037 0.215 0.000 0.627 2082 A CB -0.395 18.725 19.000 0.199 0.000 0.815 2082 A HN 0.453 nan 8.150 nan 0.000 0.443 2083 Q N -1.107 118.746 119.800 0.087 0.000 2.170 2083 Q HA -0.108 4.246 4.340 0.023 0.000 0.203 2083 Q C 1.383 177.412 176.000 0.048 0.000 0.976 2083 Q CA 0.973 56.812 55.803 0.060 0.000 0.858 2083 Q CB -0.181 28.590 28.738 0.055 0.000 0.907 2083 Q HN 0.474 nan 8.270 nan 0.000 0.433 2084 L N -1.457 119.795 121.223 0.050 0.000 2.554 2084 L HA 0.105 4.459 4.340 0.023 0.000 0.226 2084 L C 1.370 178.252 176.870 0.021 0.000 1.137 2084 L CA 1.528 56.388 54.840 0.033 0.000 0.863 2084 L CB 0.012 42.090 42.059 0.033 0.000 0.985 2084 L HN 0.377 nan 8.230 nan 0.000 0.451 2085 G N -1.508 107.307 108.800 0.025 0.000 2.205 2085 G HA2 -0.162 3.812 3.960 0.023 0.000 0.180 2085 G HA3 -0.162 3.812 3.960 0.023 0.000 0.180 2085 G C 0.290 175.175 174.900 -0.025 0.000 1.004 2085 G CA -0.523 44.580 45.100 0.006 0.000 0.670 2085 G HN 0.056 nan 8.290 nan 0.000 0.496 2086 I N 1.301 121.843 120.570 -0.046 0.000 2.533 2086 I HA 0.322 4.506 4.170 0.023 0.000 0.284 2086 I C 1.301 177.315 176.117 -0.171 0.000 1.109 2086 I CA 0.104 61.284 61.300 -0.201 0.000 1.412 2086 I CB 1.069 38.830 38.000 -0.398 0.000 1.396 2086 I HN 0.065 nan 8.210 nan 0.000 0.543 2087 R N 3.065 123.445 120.500 -0.200 0.000 2.316 2087 R HA 0.184 4.538 4.340 0.023 0.000 0.201 2087 R C -0.009 176.243 176.300 -0.079 0.000 0.888 2087 R CA 0.331 56.396 56.100 -0.058 0.000 1.041 2087 R CB 0.340 30.629 30.300 -0.018 0.000 1.115 2087 R HN 0.514 nan 8.270 nan 0.000 0.559 2088 T N 1.355 115.740 114.554 -0.282 0.000 2.824 2088 T HA 0.588 4.952 4.350 0.023 0.000 0.282 2088 T C -0.913 173.538 174.700 -0.415 0.000 0.993 2088 T CA -0.282 61.708 62.100 -0.184 0.000 0.967 2088 T CB 1.243 70.052 68.868 -0.098 0.000 0.960 2088 T HN -0.170 nan 8.240 nan 0.000 0.441 2089 F N 2.535 122.483 119.950 -0.004 0.000 2.477 2089 F HA 0.549 5.091 4.527 0.026 0.000 0.335 2089 F C -0.288 175.509 175.800 -0.005 0.000 1.130 2089 F CA -1.046 56.952 58.000 -0.004 0.000 0.948 2089 F CB 1.333 40.326 39.000 -0.013 0.000 1.154 2089 F HN 0.215 nan 8.300 nan 0.000 0.439 2090 L N 4.306 125.609 121.223 0.134 0.000 2.316 2090 L HA 0.509 4.863 4.340 0.023 0.000 0.280 2090 L C -0.038 176.881 176.870 0.081 0.000 1.006 2090 L CA -0.650 54.238 54.840 0.081 0.000 0.836 2090 L CB 1.667 43.746 42.059 0.033 0.000 1.221 2090 L HN 0.586 nan 8.230 nan 0.000 0.418 2091 R N 4.018 124.560 120.500 0.071 0.000 2.308 2091 R HA 0.466 4.820 4.340 0.023 0.000 0.305 2091 R C -0.879 175.441 176.300 0.033 0.000 1.053 2091 R CA -0.354 55.779 56.100 0.054 0.000 0.957 2091 R CB 1.069 31.393 30.300 0.040 0.000 1.022 2091 R HN 0.493 nan 8.270 nan 0.000 0.461 2092 I N 3.714 124.301 120.570 0.029 0.000 2.474 2092 I HA 0.649 4.833 4.170 0.023 0.000 0.294 2092 I C -0.581 175.545 176.117 0.014 0.000 1.005 2092 I CA -0.095 61.216 61.300 0.018 0.000 1.113 2092 I CB 1.698 39.705 38.000 0.012 0.000 1.289 2092 I HN 0.876 nan 8.210 nan 0.000 0.436 2093 G N 4.312 113.119 108.800 0.012 0.000 2.645 2093 G HA2 0.606 4.581 3.960 0.023 0.000 0.292 2093 G HA3 0.606 4.581 3.960 0.023 0.000 0.292 2093 G C -1.305 173.601 174.900 0.010 0.000 1.415 2093 G CA -0.387 44.719 45.100 0.010 0.000 0.785 2093 G HN 0.625 nan 8.290 nan 0.000 0.483 2094 T N -2.304 112.256 114.554 0.011 0.000 2.885 2094 T HA 0.776 5.140 4.350 0.023 0.000 0.285 2094 T C -0.360 174.352 174.700 0.019 0.000 1.019 2094 T CA -0.689 61.419 62.100 0.013 0.000 1.010 2094 T CB 2.126 70.999 68.868 0.009 0.000 1.022 2094 T HN 0.884 nan 8.240 nan 0.000 0.466 2095 T N 0.079 114.644 114.554 0.017 0.000 2.843 2095 T HA 0.698 5.062 4.350 0.023 0.000 0.302 2095 T C 0.310 175.016 174.700 0.010 0.000 1.232 2095 T CA -0.140 61.970 62.100 0.016 0.000 1.009 2095 T CB 1.296 70.168 68.868 0.006 0.000 1.254 2095 T HN 1.062 nan 8.240 nan 0.000 0.504 2096 G N 0.522 109.327 108.800 0.008 0.000 2.543 2096 G HA2 0.710 4.684 3.960 0.023 0.000 0.290 2096 G HA3 0.710 4.684 3.960 0.023 0.000 0.290 2096 G C -0.625 174.262 174.900 -0.022 0.000 1.310 2096 G CA -0.133 44.966 45.100 -0.001 0.000 1.025 2096 G HN 1.050 nan 8.290 nan 0.000 0.502 2097 A N -1.056 121.743 122.820 -0.034 0.000 2.475 2097 A HA 0.603 4.937 4.320 0.023 0.000 0.301 2097 A C 0.327 177.876 177.584 -0.059 0.000 1.059 2097 A CA -0.536 51.454 52.037 -0.078 0.000 0.710 2097 A CB 1.288 20.215 19.000 -0.122 0.000 1.288 2097 A HN 1.166 nan 8.150 nan 0.000 0.408 2098 I N -2.170 118.348 120.570 -0.086 0.000 4.082 2098 I HA 0.273 4.457 4.170 0.023 0.000 0.337 2098 I C -0.267 175.822 176.117 -0.047 0.000 1.352 2098 I CA -0.109 61.164 61.300 -0.045 0.000 1.097 2098 I CB 0.337 38.301 38.000 -0.059 0.000 1.048 2098 I HN 0.331 nan 8.210 nan 0.000 0.393 2099 Q N 2.880 122.615 119.800 -0.108 0.000 2.271 2099 Q HA 0.360 4.714 4.340 0.023 0.000 0.258 2099 Q C -1.790 174.130 176.000 -0.134 0.000 0.936 2099 Q CA -2.083 53.659 55.803 -0.102 0.000 0.909 2099 Q CB 1.870 30.495 28.738 -0.188 0.000 1.253 2099 Q HN 0.047 nan 8.270 nan 0.000 0.440 2100 P HA -0.203 nan 4.420 nan 0.000 0.218 2100 P C 0.802 178.097 177.300 -0.008 0.000 1.148 2100 P CA 1.638 64.738 63.100 0.000 0.000 0.822 2100 P CB 0.073 31.802 31.700 0.049 0.000 0.784 2101 H N -1.557 117.485 119.070 -0.046 0.000 2.547 2101 H HA 0.187 4.756 4.556 0.023 0.000 0.272 2101 H C 0.875 176.161 175.328 -0.070 0.000 0.989 2101 H CA -0.144 55.882 56.048 -0.035 0.000 1.214 2101 H CB -1.069 28.682 29.762 -0.018 0.000 1.389 2101 H HN 0.064 nan 8.280 nan 0.000 0.577 2102 I N 2.648 122.837 120.570 -0.636 0.000 2.352 2102 I HA 0.086 4.270 4.170 0.023 0.000 0.290 2102 I C -0.222 175.782 176.117 -0.188 0.000 1.036 2102 I CA -0.416 60.560 61.300 -0.539 0.000 1.336 2102 I CB 0.589 38.166 38.000 -0.705 0.000 1.407 2102 I HN 0.334 nan 8.210 nan 0.000 0.497 2103 N N 4.991 123.664 118.700 -0.045 0.000 2.472 2103 N HA 0.300 5.054 4.740 0.023 0.000 0.289 2103 N C -0.580 174.937 175.510 0.012 0.000 1.156 2103 N CA -0.618 52.432 53.050 -0.001 0.000 0.940 2103 N CB 2.207 40.715 38.487 0.036 0.000 1.200 2103 N HN 0.169 nan 8.380 nan 0.000 0.511 2104 V N 1.292 121.213 119.914 0.013 0.000 2.400 2104 V HA 0.309 4.443 4.120 0.023 0.000 0.263 2104 V C 1.358 177.474 176.094 0.036 0.000 1.026 2104 V CA 0.975 63.286 62.300 0.019 0.000 1.077 2104 V CB -0.316 31.516 31.823 0.015 0.000 1.054 2104 V HN 1.081 nan 8.190 nan 0.000 0.477 2105 G N 3.771 112.601 108.800 0.049 0.000 2.551 2105 G HA2 -0.131 3.843 3.960 0.023 0.000 0.186 2105 G HA3 -0.131 3.843 3.960 0.023 0.000 0.186 2105 G C -0.113 174.835 174.900 0.080 0.000 1.002 2105 G CA -0.440 44.705 45.100 0.075 0.000 0.723 2105 G HN 0.596 nan 8.290 nan 0.000 0.481 2106 D N 0.805 121.251 120.400 0.077 0.000 2.357 2106 D HA 0.474 5.128 4.640 0.023 0.000 0.242 2106 D C 0.877 177.229 176.300 0.087 0.000 1.153 2106 D CA 0.622 54.678 54.000 0.094 0.000 0.918 2106 D CB 1.900 42.828 40.800 0.213 0.000 1.181 2106 D HN 0.884 nan 8.370 nan 0.000 0.435 2107 V N -1.304 118.650 119.914 0.065 0.000 2.581 2107 V HA 0.631 4.765 4.120 0.023 0.000 0.303 2107 V C -0.489 175.647 176.094 0.071 0.000 1.041 2107 V CA -0.927 61.404 62.300 0.052 0.000 0.907 2107 V CB 1.431 33.266 31.823 0.020 0.000 0.994 2107 V HN 0.322 nan 8.190 nan 0.000 0.442 2108 L N 4.274 125.531 121.223 0.057 0.000 2.333 2108 L HA 0.696 5.050 4.340 0.023 0.000 0.280 2108 L C -0.717 176.169 176.870 0.027 0.000 1.004 2108 L CA -0.810 54.064 54.840 0.057 0.000 0.820 2108 L CB 1.989 44.069 42.059 0.036 0.000 1.247 2108 L HN 0.514 nan 8.230 nan 0.000 0.416 2109 V N 1.660 121.588 119.914 0.024 0.000 2.384 2109 V HA 0.331 4.465 4.120 0.023 0.000 0.287 2109 V C 0.211 176.309 176.094 0.007 0.000 1.020 2109 V CA -0.415 61.889 62.300 0.006 0.000 0.850 2109 V CB 1.738 33.556 31.823 -0.008 0.000 0.987 2109 V HN 0.736 nan 8.190 nan 0.000 0.436 2110 T N 3.349 117.903 114.554 0.000 0.000 2.743 2110 T HA 0.214 4.578 4.350 0.023 0.000 0.293 2110 T C 1.330 176.030 174.700 0.000 0.000 0.945 2110 T CA 0.167 62.264 62.100 -0.004 0.000 1.030 2110 T CB 1.248 70.108 68.868 -0.013 0.000 0.912 2110 T HN 0.964 nan 8.240 nan 0.000 0.483 2111 T N 0.903 115.460 114.554 0.005 0.000 2.851 2111 T HA 0.444 4.808 4.350 0.023 0.000 0.262 2111 T C 0.763 175.470 174.700 0.011 0.000 1.043 2111 T CA 0.332 62.442 62.100 0.016 0.000 1.140 2111 T CB 0.137 69.020 68.868 0.025 0.000 0.872 2111 T HN 0.750 nan 8.240 nan 0.000 0.446 2112 A N -0.135 122.682 122.820 -0.005 0.000 2.601 2112 A HA 0.683 5.017 4.320 0.023 0.000 0.291 2112 A C -1.032 176.529 177.584 -0.037 0.000 1.075 2112 A CA -0.822 51.206 52.037 -0.014 0.000 0.671 2112 A CB 1.325 20.316 19.000 -0.015 0.000 1.277 2112 A HN 0.199 nan 8.150 nan 0.000 0.417 2113 S N -0.308 115.367 115.700 -0.042 0.000 2.513 2113 S HA 0.583 5.067 4.470 0.023 0.000 0.299 2113 S C -0.412 174.130 174.600 -0.098 0.000 1.087 2113 S CA -0.504 57.652 58.200 -0.074 0.000 1.012 2113 S CB 1.670 64.837 63.200 -0.055 0.000 1.044 2113 S HN 0.869 nan 8.310 nan 0.000 0.485 2114 V N 3.553 123.355 119.914 -0.186 0.000 2.479 2114 V HA 0.178 4.312 4.120 0.023 0.000 0.281 2114 V C 0.595 176.601 176.094 -0.147 0.000 1.031 2114 V CA 0.047 62.199 62.300 -0.247 0.000 1.038 2114 V CB -0.018 31.449 31.823 -0.594 0.000 0.981 2114 V HN 0.695 nan 8.190 nan 0.000 0.478 2115 R N 5.317 125.784 120.500 -0.056 0.000 2.891 2115 R HA 0.317 4.671 4.340 0.023 0.000 0.248 2115 R C 0.076 176.412 176.300 0.061 0.000 1.439 2115 R CA -0.119 55.990 56.100 0.015 0.000 1.288 2115 R CB 0.010 30.343 30.300 0.055 0.000 1.212 2115 R HN 0.671 nan 8.270 nan 0.000 0.605 2116 L N 1.951 123.216 121.223 0.070 0.000 2.851 2116 L HA 0.126 4.480 4.340 0.023 0.000 0.237 2116 L C 0.354 177.314 176.870 0.150 0.000 1.257 2116 L CA -0.236 54.715 54.840 0.185 0.000 1.061 2116 L CB -0.683 41.535 42.059 0.264 0.000 1.372 2116 L HN 0.505 nan 8.230 nan 0.000 0.493 2117 D N -1.293 119.168 120.400 0.102 0.000 2.621 2117 D HA 0.319 4.973 4.640 0.023 0.000 0.255 2117 D C 0.729 177.080 176.300 0.084 0.000 1.122 2117 D CA -0.302 53.743 54.000 0.075 0.000 1.096 2117 D CB 1.885 42.711 40.800 0.043 0.000 1.282 2117 D HN -0.073 nan 8.370 nan 0.000 0.619 2118 G N -1.208 107.623 108.800 0.052 0.000 2.747 2118 G HA2 0.242 4.216 3.960 0.023 0.000 0.202 2118 G HA3 0.242 4.216 3.960 0.023 0.000 0.202 2118 G C 1.295 176.182 174.900 -0.022 0.000 1.090 2118 G CA 0.603 45.736 45.100 0.055 0.000 0.779 2118 G HN 0.615 nan 8.290 nan 0.000 0.535 2119 A N 1.798 124.551 122.820 -0.112 0.000 1.972 2119 A HA -0.012 4.322 4.320 0.023 0.000 0.219 2119 A C 2.667 180.315 177.584 0.106 0.000 1.169 2119 A CA 2.436 54.346 52.037 -0.211 0.000 0.635 2119 A CB -0.672 18.284 19.000 -0.074 0.000 0.810 2119 A HN 0.736 nan 8.150 nan 0.000 0.446 2120 S N 0.183 115.977 115.700 0.158 0.000 2.400 2120 S HA -0.111 4.374 4.470 0.023 0.000 0.232 2120 S C 1.698 176.457 174.600 0.265 0.000 1.025 2120 S CA 1.463 59.805 58.200 0.237 0.000 0.993 2120 S CB -0.735 62.543 63.200 0.130 0.000 0.808 2120 S HN 0.444 nan 8.310 nan 0.000 0.478 2121 L N 0.797 122.154 121.223 0.223 0.000 2.456 2121 L HA 0.011 4.365 4.340 0.023 0.000 0.224 2121 L C 2.253 179.233 176.870 0.182 0.000 1.148 2121 L CA 0.981 55.941 54.840 0.199 0.000 0.825 2121 L CB -0.626 41.547 42.059 0.189 0.000 0.937 2121 L HN 0.509 nan 8.230 nan 0.000 0.450 2122 H N -2.014 117.010 119.070 -0.077 0.000 2.548 2122 H HA 0.039 4.606 4.556 0.019 0.000 0.265 2122 H C 1.258 176.244 175.328 -0.570 0.000 0.969 2122 H CA 0.503 56.354 56.048 -0.327 0.000 1.155 2122 H CB 0.454 29.951 29.762 -0.443 0.000 1.394 2122 H HN 0.349 nan 8.280 nan 0.000 0.570 2123 F N -0.155 119.819 119.950 0.039 0.000 2.667 2123 F HA 0.438 4.977 4.527 0.021 0.000 0.288 2123 F C 0.851 176.563 175.800 -0.147 0.000 1.086 2123 F CA -0.019 57.944 58.000 -0.062 0.000 1.297 2123 F CB 1.039 39.987 39.000 -0.087 0.000 1.059 2123 F HN -0.039 nan 8.300 nan 0.000 0.624 2124 A N 0.372 123.216 122.820 0.040 0.000 2.589 2124 A HA 0.619 4.953 4.320 0.023 0.000 0.296 2124 A C -2.815 174.792 177.584 0.039 0.000 1.062 2124 A CA -1.396 50.591 52.037 -0.084 0.000 0.686 2124 A CB 0.637 19.394 19.000 -0.405 0.000 1.282 2124 A HN -0.179 nan 8.150 nan 0.000 0.404 2125 P HA 0.133 nan 4.420 nan 0.000 0.272 2125 P C 0.871 178.254 177.300 0.138 0.000 1.240 2125 P CA -0.252 62.902 63.100 0.089 0.000 0.791 2125 P CB 0.451 32.198 31.700 0.080 0.000 0.978 2126 M N 1.439 121.107 119.600 0.113 0.000 2.195 2126 M HA -0.197 4.297 4.480 0.023 0.000 0.260 2126 M C 1.499 177.875 176.300 0.126 0.000 1.066 2126 M CA 1.941 57.311 55.300 0.117 0.000 1.089 2126 M CB -1.299 31.355 32.600 0.091 0.000 1.377 2126 M HN 0.311 nan 8.290 nan 0.000 0.411 2127 E N -0.811 119.462 120.200 0.121 0.000 2.160 2127 E HA -0.116 4.248 4.350 0.023 0.000 0.195 2127 E C 0.315 176.986 176.600 0.118 0.000 0.991 2127 E CA 0.698 57.159 56.400 0.102 0.000 0.810 2127 E CB -0.480 29.273 29.700 0.089 0.000 0.742 2127 E HN 0.494 nan 8.360 nan 0.000 0.466 2128 F N 2.319 122.289 119.950 0.034 0.000 2.538 2128 F HA 0.123 4.659 4.527 0.015 0.000 0.371 2128 F C -1.945 173.872 175.800 0.028 0.000 1.087 2128 F CA -2.666 55.354 58.000 0.033 0.000 1.250 2128 F CB 0.536 39.562 39.000 0.042 0.000 1.110 2128 F HN -0.112 nan 8.300 nan 0.000 0.570 2129 P HA 0.154 nan 4.420 nan 0.000 0.281 2129 P C -1.222 176.103 177.300 0.042 0.000 1.252 2129 P CA -0.411 62.611 63.100 -0.130 0.000 0.778 2129 P CB 1.240 32.796 31.700 -0.240 0.000 0.895 2130 A N 3.980 126.847 122.820 0.078 0.000 3.063 2130 A HA 0.249 4.583 4.320 0.023 0.000 0.263 2130 A C 0.309 177.918 177.584 0.042 0.000 1.736 2130 A CA -0.309 51.782 52.037 0.090 0.000 1.408 2130 A CB -0.981 18.051 19.000 0.053 0.000 1.108 2130 A HN 0.468 nan 8.150 nan 0.000 0.621 2131 V N 1.491 121.432 119.914 0.045 0.000 2.539 2131 V HA 0.694 4.828 4.120 0.023 0.000 0.292 2131 V C 0.631 176.753 176.094 0.046 0.000 1.045 2131 V CA -0.204 62.109 62.300 0.023 0.000 0.945 2131 V CB 1.402 33.217 31.823 -0.013 0.000 0.993 2131 V HN 0.861 nan 8.190 nan 0.000 0.464 2132 A N 4.222 127.067 122.820 0.041 0.000 2.322 2132 A HA 0.414 4.748 4.320 0.023 0.000 0.269 2132 A C 0.022 177.650 177.584 0.073 0.000 1.094 2132 A CA -0.291 51.775 52.037 0.048 0.000 0.807 2132 A CB 0.230 19.248 19.000 0.031 0.000 1.047 2132 A HN 1.021 nan 8.150 nan 0.000 0.487 2133 D N 0.073 120.519 120.400 0.077 0.000 2.455 2133 D HA 0.094 4.748 4.640 0.023 0.000 0.241 2133 D C 0.671 177.040 176.300 0.115 0.000 1.138 2133 D CA 0.080 54.141 54.000 0.102 0.000 0.877 2133 D CB 0.162 41.014 40.800 0.087 0.000 1.187 2133 D HN 0.382 nan 8.370 nan 0.000 0.451 2134 F N 3.909 123.868 119.950 0.015 0.000 2.146 2134 F HA -0.073 4.468 4.527 0.022 0.000 0.298 2134 F C 2.033 177.839 175.800 0.009 0.000 1.096 2134 F CA 1.691 59.696 58.000 0.009 0.000 1.275 2134 F CB -0.382 38.621 39.000 0.006 0.000 1.008 2134 F HN 0.484 nan 8.300 nan 0.000 0.480 2135 A N -0.583 122.233 122.820 -0.007 0.000 1.933 2135 A HA -0.194 4.140 4.320 0.023 0.000 0.218 2135 A C 2.354 179.858 177.584 -0.132 0.000 1.175 2135 A CA 1.753 53.731 52.037 -0.099 0.000 0.628 2135 A CB -1.648 17.368 19.000 0.027 0.000 0.814 2135 A HN 0.567 nan 8.150 nan 0.000 0.444 2136 C N -1.172 118.087 119.300 -0.068 0.000 2.462 2136 C HA -0.076 4.399 4.460 0.023 0.000 0.278 2136 C C 3.058 177.993 174.990 -0.090 0.000 1.253 2136 C CA 1.533 60.519 59.018 -0.053 0.000 1.713 2136 C CB -1.493 26.245 27.740 -0.003 0.000 2.049 2136 C HN 0.649 nan 8.230 nan 0.000 0.477 2137 T N 0.810 115.297 114.554 -0.111 0.000 2.684 2137 T HA -0.195 4.169 4.350 0.023 0.000 0.267 2137 T C 1.744 176.330 174.700 -0.191 0.000 1.036 2137 T CA 2.290 64.315 62.100 -0.124 0.000 1.148 2137 T CB -0.688 68.121 68.868 -0.098 0.000 0.863 2137 T HN 0.613 nan 8.240 nan 0.000 0.436 2138 T N 2.165 116.511 114.554 -0.346 0.000 2.635 2138 T HA -0.137 4.227 4.350 0.023 0.000 0.267 2138 T C 2.406 176.993 174.700 -0.189 0.000 1.040 2138 T CA 1.425 63.315 62.100 -0.350 0.000 1.156 2138 T CB -0.733 67.811 68.868 -0.540 0.000 0.863 2138 T HN 0.472 nan 8.240 nan 0.000 0.430 2139 A N 1.025 123.753 122.820 -0.154 0.000 1.908 2139 A HA -0.031 4.303 4.320 0.023 0.000 0.218 2139 A C 2.342 179.882 177.584 -0.072 0.000 1.181 2139 A CA 1.371 53.352 52.037 -0.093 0.000 0.627 2139 A CB -0.887 18.070 19.000 -0.071 0.000 0.818 2139 A HN 0.492 nan 8.150 nan 0.000 0.445 2140 L N -0.806 120.374 121.223 -0.071 0.000 2.056 2140 L HA -0.142 4.212 4.340 0.023 0.000 0.207 2140 L C 2.520 179.358 176.870 -0.053 0.000 1.078 2140 L CA 0.981 55.791 54.840 -0.050 0.000 0.749 2140 L CB -0.530 41.505 42.059 -0.040 0.000 0.901 2140 L HN 0.240 nan 8.230 nan 0.000 0.433 2141 V N -0.257 119.616 119.914 -0.069 0.000 2.307 2141 V HA -0.259 3.875 4.120 0.023 0.000 0.245 2141 V C 2.302 178.360 176.094 -0.060 0.000 1.045 2141 V CA 1.799 64.061 62.300 -0.064 0.000 1.024 2141 V CB -0.403 31.377 31.823 -0.071 0.000 0.651 2141 V HN 0.436 nan 8.190 nan 0.000 0.449 2142 E N -0.126 120.035 120.200 -0.066 0.000 2.208 2142 E HA -0.068 4.296 4.350 0.023 0.000 0.193 2142 E C 2.226 178.798 176.600 -0.046 0.000 0.988 2142 E CA 0.976 57.343 56.400 -0.055 0.000 0.828 2142 E CB -0.204 29.462 29.700 -0.057 0.000 0.763 2142 E HN 0.601 nan 8.360 nan 0.000 0.478 2143 A N 1.124 123.917 122.820 -0.045 0.000 1.968 2143 A HA 0.033 4.367 4.320 0.023 0.000 0.217 2143 A C 2.301 179.862 177.584 -0.038 0.000 1.169 2143 A CA 1.259 53.275 52.037 -0.036 0.000 0.638 2143 A CB -0.296 18.686 19.000 -0.031 0.000 0.812 2143 A HN 0.275 nan 8.150 nan 0.000 0.446 2144 A N -0.240 122.553 122.820 -0.044 0.000 1.897 2144 A HA -0.092 4.243 4.320 0.023 0.000 0.215 2144 A C 2.104 179.649 177.584 -0.065 0.000 1.181 2144 A CA 1.740 53.746 52.037 -0.053 0.000 0.620 2144 A CB -0.373 18.596 19.000 -0.051 0.000 0.821 2144 A HN 0.463 nan 8.150 nan 0.000 0.443 2145 K N 0.319 120.684 120.400 -0.058 0.000 2.211 2145 K HA -0.112 4.222 4.320 0.023 0.000 0.203 2145 K C 2.236 178.804 176.600 -0.052 0.000 1.050 2145 K CA 1.383 57.636 56.287 -0.057 0.000 0.945 2145 K CB -0.101 32.370 32.500 -0.049 0.000 0.732 2145 K HN 0.650 nan 8.250 nan 0.000 0.451 2146 S N 0.695 116.368 115.700 -0.046 0.000 2.428 2146 S HA -0.117 4.367 4.470 0.023 0.000 0.230 2146 S C 1.757 176.331 174.600 -0.043 0.000 1.014 2146 S CA 0.917 59.094 58.200 -0.039 0.000 0.957 2146 S CB -0.434 62.747 63.200 -0.031 0.000 0.784 2146 S HN 0.436 nan 8.310 nan 0.000 0.499 2147 I N -2.157 118.379 120.570 -0.056 0.000 3.956 2147 I HA 0.617 4.801 4.170 0.023 0.000 0.333 2147 I C 1.290 177.341 176.117 -0.110 0.000 1.302 2147 I CA 0.262 61.520 61.300 -0.071 0.000 1.122 2147 I CB -0.171 37.789 38.000 -0.066 0.000 1.013 2147 I HN 0.285 nan 8.210 nan 0.000 0.405 2148 G N 1.137 109.878 108.800 -0.099 0.000 2.137 2148 G HA2 -0.132 3.842 3.960 0.023 0.000 0.237 2148 G HA3 -0.132 3.842 3.960 0.023 0.000 0.237 2148 G C 0.355 175.175 174.900 -0.134 0.000 1.002 2148 G CA -0.059 44.980 45.100 -0.102 0.000 0.702 2148 G HN 0.975 nan 8.290 nan 0.000 0.515 2149 A N 0.101 122.831 122.820 -0.150 0.000 2.388 2149 A HA 0.694 5.028 4.320 0.023 0.000 0.257 2149 A C 0.854 178.365 177.584 -0.122 0.000 1.095 2149 A CA 0.762 52.704 52.037 -0.158 0.000 0.791 2149 A CB 0.411 19.322 19.000 -0.148 0.000 1.029 2149 A HN 0.863 nan 8.150 nan 0.000 0.489 2150 T N 3.216 117.703 114.554 -0.112 0.000 2.743 2150 T HA 0.360 4.724 4.350 0.023 0.000 0.290 2150 T C 0.161 174.732 174.700 -0.214 0.000 0.908 2150 T CA 0.451 62.466 62.100 -0.142 0.000 1.092 2150 T CB -0.341 68.474 68.868 -0.088 0.000 0.882 2150 T HN 0.625 nan 8.240 nan 0.000 0.531 2151 T N 4.457 118.846 114.554 -0.276 0.000 2.823 2151 T HA 0.363 4.727 4.350 0.023 0.000 0.279 2151 T C -0.359 174.100 174.700 -0.401 0.000 0.998 2151 T CA -0.811 61.145 62.100 -0.240 0.000 0.994 2151 T CB 0.824 69.619 68.868 -0.121 0.000 0.960 2151 T HN 0.530 nan 8.240 nan 0.000 0.448 2152 H N 1.344 120.416 119.070 0.004 0.000 2.505 2152 H HA 0.495 5.065 4.556 0.024 0.000 0.338 2152 H C -0.873 174.460 175.328 0.009 0.000 1.057 2152 H CA -0.530 55.531 56.048 0.021 0.000 1.202 2152 H CB 1.597 31.372 29.762 0.023 0.000 1.466 2152 H HN 0.282 nan 8.280 nan 0.000 0.499 2153 V N 2.678 122.657 119.914 0.108 0.000 2.384 2153 V HA 0.709 4.843 4.120 0.023 0.000 0.287 2153 V C 0.635 176.766 176.094 0.062 0.000 1.020 2153 V CA -0.254 62.082 62.300 0.060 0.000 0.850 2153 V CB 1.221 33.061 31.823 0.028 0.000 0.987 2153 V HN 1.087 nan 8.190 nan 0.000 0.436 2154 G N 3.230 112.054 108.800 0.041 0.000 2.392 2154 G HA2 0.399 4.373 3.960 0.023 0.000 0.260 2154 G HA3 0.399 4.373 3.960 0.023 0.000 0.260 2154 G C -1.423 173.476 174.900 -0.001 0.000 1.226 2154 G CA -0.409 44.707 45.100 0.027 0.000 0.913 2154 G HN 0.498 nan 8.290 nan 0.000 0.483 2155 V N 0.923 120.826 119.914 -0.017 0.000 2.509 2155 V HA 0.651 4.785 4.120 0.023 0.000 0.284 2155 V C 0.227 176.265 176.094 -0.093 0.000 1.047 2155 V CA -0.112 62.157 62.300 -0.053 0.000 0.952 2155 V CB 1.334 33.124 31.823 -0.056 0.000 0.988 2155 V HN 0.763 nan 8.190 nan 0.000 0.469 2156 T N 3.494 117.977 114.554 -0.117 0.000 2.856 2156 T HA 0.658 5.022 4.350 0.023 0.000 0.283 2156 T C -0.083 174.480 174.700 -0.228 0.000 1.008 2156 T CA -0.310 61.697 62.100 -0.154 0.000 0.997 2156 T CB 1.669 70.479 68.868 -0.096 0.000 0.992 2156 T HN 0.902 nan 8.240 nan 0.000 0.454 2157 A N 2.125 124.751 122.820 -0.323 0.000 2.276 2157 A HA 0.614 4.948 4.320 0.023 0.000 0.300 2157 A C 0.356 177.865 177.584 -0.125 0.000 1.235 2157 A CA -0.467 51.340 52.037 -0.382 0.000 0.867 2157 A CB 0.386 18.971 19.000 -0.692 0.000 1.137 2157 A HN 0.632 nan 8.150 nan 0.000 0.527 2158 S N 2.245 117.889 115.700 -0.093 0.000 2.461 2158 S HA 0.486 4.970 4.470 0.023 0.000 0.322 2158 S C -0.045 174.562 174.600 0.011 0.000 1.063 2158 S CA -0.327 57.860 58.200 -0.021 0.000 1.120 2158 S CB 0.235 63.417 63.200 -0.030 0.000 0.968 2158 S HN 0.915 nan 8.310 nan 0.000 0.467 2159 S N 3.223 118.934 115.700 0.018 0.000 2.525 2159 S HA 0.337 4.822 4.470 0.023 0.000 0.290 2159 S C 0.543 175.124 174.600 -0.032 0.000 1.152 2159 S CA -0.605 57.582 58.200 -0.021 0.000 1.072 2159 S CB 1.102 64.223 63.200 -0.131 0.000 1.027 2159 S HN 0.716 nan 8.310 nan 0.000 0.500 2160 D N 1.927 122.316 120.400 -0.018 0.000 2.371 2160 D HA 0.092 4.746 4.640 0.023 0.000 0.221 2160 D C 0.674 176.960 176.300 -0.024 0.000 0.986 2160 D CA 0.837 54.834 54.000 -0.005 0.000 0.899 2160 D CB 0.176 40.993 40.800 0.028 0.000 0.902 2160 D HN 0.708 nan 8.370 nan 0.000 0.530 2161 T N -3.839 110.665 114.554 -0.084 0.000 2.893 2161 T HA 0.274 4.638 4.350 0.023 0.000 0.291 2161 T C 0.552 175.181 174.700 -0.120 0.000 1.028 2161 T CA -0.877 61.183 62.100 -0.066 0.000 0.995 2161 T CB 1.232 70.052 68.868 -0.080 0.000 1.051 2161 T HN -0.125 nan 8.240 nan 0.000 0.470 2162 F N 0.441 120.250 119.950 -0.235 0.000 2.367 2162 F HA 0.145 4.686 4.527 0.023 0.000 0.298 2162 F C 0.973 176.434 175.800 -0.565 0.000 1.094 2162 F CA 0.923 58.663 58.000 -0.433 0.000 1.409 2162 F CB -0.068 38.597 39.000 -0.558 0.000 1.064 2162 F HN 0.705 nan 8.300 nan 0.000 0.528 2163 Y N 0.198 120.456 120.300 -0.070 0.000 2.382 2163 Y HA 0.149 4.712 4.550 0.022 0.000 0.263 2163 Y C -0.523 175.204 175.900 -0.288 0.000 1.103 2163 Y CA 0.280 58.297 58.100 -0.138 0.000 1.223 2163 Y CB -1.788 36.674 38.460 0.004 0.000 1.124 2163 Y HN -0.231 nan 8.280 nan 0.000 0.501 2164 P HA -0.061 nan 4.420 nan 0.000 0.219 2164 P C 1.439 178.438 177.300 -0.501 0.000 1.150 2164 P CA 2.069 65.031 63.100 -0.229 0.000 0.814 2164 P CB -0.163 31.471 31.700 -0.110 0.000 0.787 2165 G N -0.082 108.285 108.800 -0.722 0.000 2.598 2165 G HA2 -0.173 3.801 3.960 0.023 0.000 0.215 2165 G HA3 -0.173 3.801 3.960 0.023 0.000 0.215 2165 G C 1.315 175.716 174.900 -0.830 0.000 1.131 2165 G CA 0.220 44.550 45.100 -1.284 0.000 0.785 2165 G HN 0.366 nan 8.290 nan 0.000 0.539 2166 Q N -0.529 118.806 119.800 -0.774 0.000 2.188 2166 Q HA 0.194 4.548 4.340 0.023 0.000 0.212 2166 Q C -0.023 175.626 176.000 -0.584 0.000 0.846 2166 Q CA -0.297 54.827 55.803 -1.132 0.000 0.989 2166 Q CB 0.516 28.498 28.738 -1.261 0.000 1.114 2166 Q HN 0.576 nan 8.270 nan 0.000 0.488 2167 E N 1.794 121.771 120.200 -0.371 0.000 2.228 2167 E HA -0.232 4.132 4.350 0.023 0.000 0.213 2167 E C -0.950 175.444 176.600 -0.343 0.000 1.282 2167 E CA 0.165 56.390 56.400 -0.292 0.000 0.707 2167 E CB -0.326 29.343 29.700 -0.053 0.000 1.150 2167 E HN 0.330 nan 8.360 nan 0.000 0.362 2168 R N 0.325 120.626 120.500 -0.331 0.000 2.254 2168 R HA 0.203 4.557 4.340 0.023 0.000 0.318 2168 R C 0.259 176.422 176.300 -0.227 0.000 1.031 2168 R CA -0.193 55.812 56.100 -0.159 0.000 0.905 2168 R CB 0.513 30.816 30.300 0.004 0.000 1.050 2168 R HN 0.231 nan 8.270 nan 0.000 0.456 2169 Y N 0.144 120.477 120.300 0.055 0.000 2.458 2169 Y HA -0.024 4.540 4.550 0.024 0.000 0.254 2169 Y C 0.887 176.808 175.900 0.035 0.000 1.120 2169 Y CA -0.253 57.870 58.100 0.039 0.000 1.282 2169 Y CB 0.466 38.941 38.460 0.025 0.000 1.109 2169 Y HN 0.553 nan 8.280 nan 0.000 0.526 2170 D N 1.475 121.985 120.400 0.182 0.000 2.745 2170 D HA 0.007 4.661 4.640 0.023 0.000 0.229 2170 D C 0.208 176.547 176.300 0.065 0.000 1.088 2170 D CA 0.304 54.380 54.000 0.127 0.000 1.054 2170 D CB -0.603 40.280 40.800 0.139 0.000 1.132 2170 D HN 0.246 nan 8.370 nan 0.000 0.464 2171 T N -3.898 110.669 114.554 0.022 0.000 2.858 2171 T HA 0.231 4.595 4.350 0.023 0.000 0.285 2171 T C 0.876 175.572 174.700 -0.006 0.000 1.052 2171 T CA -0.976 61.084 62.100 -0.067 0.000 1.009 2171 T CB 0.974 69.784 68.868 -0.096 0.000 1.241 2171 T HN 0.092 nan 8.240 nan 0.000 0.542 2172 Y N 1.326 121.555 120.300 -0.120 0.000 2.128 2172 Y HA -0.144 4.419 4.550 0.022 0.000 0.284 2172 Y C 2.777 178.656 175.900 -0.035 0.000 1.154 2172 Y CA 2.615 60.672 58.100 -0.072 0.000 1.149 2172 Y CB -0.301 38.109 38.460 -0.082 0.000 0.976 2172 Y HN 0.741 nan 8.280 nan 0.000 0.505 2173 S N -1.065 114.558 115.700 -0.127 0.000 2.425 2173 S HA 0.127 4.611 4.470 0.023 0.000 0.225 2173 S C 1.883 176.428 174.600 -0.091 0.000 1.024 2173 S CA 0.638 58.733 58.200 -0.175 0.000 0.951 2173 S CB -0.529 62.660 63.200 -0.018 0.000 0.796 2173 S HN 0.974 nan 8.310 nan 0.000 0.498 2174 G N 1.525 110.317 108.800 -0.014 0.000 2.155 2174 G HA2 -0.326 3.648 3.960 0.023 0.000 0.257 2174 G HA3 -0.326 3.648 3.960 0.023 0.000 0.257 2174 G C 0.054 175.053 174.900 0.165 0.000 0.983 2174 G CA 0.463 45.609 45.100 0.076 0.000 0.676 2174 G HN 0.821 nan 8.290 nan 0.000 0.528 2175 R N -0.400 120.160 120.500 0.100 0.000 2.532 2175 R HA 0.657 5.011 4.340 0.023 0.000 0.295 2175 R C -0.870 175.471 176.300 0.068 0.000 0.968 2175 R CA -0.612 55.559 56.100 0.118 0.000 0.916 2175 R CB 1.623 31.963 30.300 0.066 0.000 1.124 2175 R HN 0.092 nan 8.270 nan 0.000 0.463 2176 V N 5.044 125.015 119.914 0.095 0.000 2.444 2176 V HA 0.201 4.335 4.120 0.023 0.000 0.294 2176 V C 0.056 176.214 176.094 0.106 0.000 1.022 2176 V CA -0.847 61.460 62.300 0.013 0.000 0.850 2176 V CB 1.686 33.390 31.823 -0.198 0.000 0.992 2176 V HN 0.661 nan 8.190 nan 0.000 0.426 2177 V N 6.223 126.213 119.914 0.126 0.000 2.901 2177 V HA 0.034 4.168 4.120 0.023 0.000 0.307 2177 V C 1.891 178.051 176.094 0.109 0.000 1.084 2177 V CA 0.815 63.190 62.300 0.126 0.000 1.184 2177 V CB 0.847 32.759 31.823 0.149 0.000 0.941 2177 V HN 0.984 nan 8.190 nan 0.000 0.493 2178 R N 3.681 124.217 120.500 0.060 0.000 2.159 2178 R HA -0.256 4.098 4.340 0.023 0.000 0.252 2178 R C 2.317 178.600 176.300 -0.028 0.000 1.144 2178 R CA 2.719 58.832 56.100 0.022 0.000 0.961 2178 R CB -0.399 29.903 30.300 0.004 0.000 0.877 2178 R HN 0.843 nan 8.270 nan 0.000 0.444 2179 R N -0.718 119.727 120.500 -0.091 0.000 2.119 2179 R HA -0.188 4.166 4.340 0.023 0.000 0.246 2179 R C 1.556 177.613 176.300 -0.406 0.000 1.146 2179 R CA 2.240 58.162 56.100 -0.297 0.000 0.962 2179 R CB -0.241 29.789 30.300 -0.451 0.000 0.863 2179 R HN 0.335 nan 8.270 nan 0.000 0.442 2180 F N 0.137 120.100 119.950 0.022 0.000 2.721 2180 F HA 0.259 4.808 4.527 0.035 0.000 0.301 2180 F C 0.501 176.298 175.800 -0.006 0.000 1.096 2180 F CA -0.338 57.671 58.000 0.015 0.000 1.308 2180 F CB 0.385 39.398 39.000 0.021 0.000 1.086 2180 F HN -0.269 nan 8.300 nan 0.000 0.587 2181 K N 1.000 121.482 120.400 0.136 0.000 2.419 2181 K HA 0.188 4.522 4.320 0.023 0.000 0.282 2181 K C 1.121 177.764 176.600 0.073 0.000 1.056 2181 K CA 0.879 57.247 56.287 0.135 0.000 1.035 2181 K CB -0.030 32.538 32.500 0.113 0.000 0.921 2181 K HN 0.402 nan 8.250 nan 0.000 0.472 2182 G N 2.112 110.973 108.800 0.103 0.000 2.148 2182 G HA2 -0.336 3.638 3.960 0.023 0.000 0.254 2182 G HA3 -0.336 3.638 3.960 0.023 0.000 0.254 2182 G C 0.857 175.723 174.900 -0.057 0.000 0.981 2182 G CA 0.784 45.903 45.100 0.031 0.000 0.670 2182 G HN 0.694 nan 8.290 nan 0.000 0.528 2183 S N -0.800 114.870 115.700 -0.050 0.000 2.387 2183 S HA 0.073 4.557 4.470 0.023 0.000 0.226 2183 S C 2.249 176.656 174.600 -0.322 0.000 1.026 2183 S CA 1.538 59.578 58.200 -0.267 0.000 0.972 2183 S CB -0.244 62.946 63.200 -0.017 0.000 0.814 2183 S HN 0.616 nan 8.310 nan 0.000 0.477 2184 M N 1.391 121.028 119.600 0.061 0.000 2.086 2184 M HA -0.098 4.396 4.480 0.023 0.000 0.261 2184 M C 2.497 178.847 176.300 0.084 0.000 1.067 2184 M CA 1.902 57.335 55.300 0.222 0.000 1.116 2184 M CB -0.256 32.521 32.600 0.295 0.000 1.348 2184 M HN 0.382 nan 8.290 nan 0.000 0.407 2185 E N 0.373 120.587 120.200 0.023 0.000 2.110 2185 E HA -0.233 4.131 4.350 0.023 0.000 0.193 2185 E C 1.612 178.186 176.600 -0.044 0.000 0.988 2185 E CA 1.585 57.988 56.400 0.004 0.000 0.804 2185 E CB -0.083 29.617 29.700 0.001 0.000 0.745 2185 E HN 0.661 nan 8.360 nan 0.000 0.458 2186 E N -0.443 119.658 120.200 -0.164 0.000 2.031 2186 E HA -0.188 4.176 4.350 0.023 0.000 0.193 2186 E C 2.002 178.539 176.600 -0.106 0.000 0.994 2186 E CA 1.507 57.762 56.400 -0.242 0.000 0.800 2186 E CB -0.314 29.083 29.700 -0.506 0.000 0.752 2186 E HN 0.435 nan 8.360 nan 0.000 0.447 2187 W N 1.314 122.628 121.300 0.022 0.000 2.358 2187 W HA -0.179 4.487 4.660 0.009 0.000 0.303 2187 W C 2.516 179.010 176.519 -0.041 0.000 1.208 2187 W CA 0.214 57.545 57.345 -0.022 0.000 1.274 2187 W CB -0.174 29.241 29.460 -0.076 0.000 1.138 2187 W HN 0.123 nan 8.180 nan 0.000 0.515 2188 Q N 0.411 120.315 119.800 0.174 0.000 2.061 2188 Q HA -0.217 4.137 4.340 0.023 0.000 0.204 2188 Q C 2.487 178.534 176.000 0.077 0.000 0.984 2188 Q CA 1.915 57.774 55.803 0.093 0.000 0.846 2188 Q CB -0.620 28.158 28.738 0.066 0.000 0.902 2188 Q HN 0.334 nan 8.270 nan 0.000 0.421 2189 A N 0.305 123.163 122.820 0.063 0.000 2.015 2189 A HA -0.113 4.221 4.320 0.023 0.000 0.219 2189 A C 1.808 179.428 177.584 0.061 0.000 1.163 2189 A CA 1.109 53.173 52.037 0.045 0.000 0.646 2189 A CB -0.301 18.711 19.000 0.020 0.000 0.806 2189 A HN 0.314 nan 8.150 nan 0.000 0.448 2190 M N -1.405 118.256 119.600 0.101 0.000 2.561 2190 M HA 0.186 4.680 4.480 0.023 0.000 0.238 2190 M C 1.316 177.669 176.300 0.089 0.000 1.131 2190 M CA 0.733 56.101 55.300 0.113 0.000 1.046 2190 M CB 0.303 33.020 32.600 0.195 0.000 1.532 2190 M HN 0.592 nan 8.290 nan 0.000 0.497 2191 G N 0.694 109.540 108.800 0.078 0.000 2.157 2191 G HA2 -0.205 3.769 3.960 0.023 0.000 0.248 2191 G HA3 -0.205 3.769 3.960 0.023 0.000 0.248 2191 G C 0.096 175.020 174.900 0.040 0.000 0.979 2191 G CA -0.223 44.913 45.100 0.060 0.000 0.650 2191 G HN 0.305 nan 8.290 nan 0.000 0.529 2192 V N 1.854 121.787 119.914 0.031 0.000 2.617 2192 V HA 0.138 4.272 4.120 0.023 0.000 0.304 2192 V C 1.901 177.947 176.094 -0.081 0.000 1.040 2192 V CA 1.277 63.547 62.300 -0.050 0.000 1.149 2192 V CB 1.090 32.853 31.823 -0.099 0.000 0.914 2192 V HN 0.420 nan 8.190 nan 0.000 0.487 2193 M N 3.304 122.840 119.600 -0.106 0.000 2.193 2193 M HA 0.076 4.570 4.480 0.023 0.000 0.265 2193 M C 0.738 176.939 176.300 -0.166 0.000 1.071 2193 M CA 1.193 56.419 55.300 -0.123 0.000 1.140 2193 M CB -0.020 32.523 32.600 -0.095 0.000 1.369 2193 M HN 0.959 nan 8.290 nan 0.000 0.423 2194 N N -1.813 116.764 118.700 -0.205 0.000 3.116 2194 N HA 0.161 4.915 4.740 0.023 0.000 0.244 2194 N C -1.961 173.368 175.510 -0.300 0.000 1.485 2194 N CA -0.674 52.252 53.050 -0.205 0.000 0.884 2194 N CB 1.123 39.549 38.487 -0.102 0.000 1.415 2194 N HN -0.089 nan 8.380 nan 0.000 0.524 2195 Y N -0.174 120.068 120.300 -0.095 0.000 2.387 2195 Y HA 0.458 5.020 4.550 0.020 0.000 0.336 2195 Y C 0.482 176.318 175.900 -0.107 0.000 1.067 2195 Y CA -0.120 57.907 58.100 -0.121 0.000 1.114 2195 Y CB 1.463 39.831 38.460 -0.154 0.000 1.208 2195 Y HN 0.767 nan 8.280 nan 0.000 0.458 2196 E N 0.013 120.259 120.200 0.078 0.000 2.391 2196 E HA 0.554 4.918 4.350 0.023 0.000 0.256 2196 E C -0.962 175.651 176.600 0.022 0.000 0.975 2196 E CA -0.749 55.671 56.400 0.034 0.000 0.881 2196 E CB 1.191 30.900 29.700 0.016 0.000 1.728 2196 E HN 0.467 nan 8.360 nan 0.000 0.446 2197 M N -0.648 118.961 119.600 0.015 0.000 2.327 2197 M HA 0.328 4.822 4.480 0.023 0.000 0.365 2197 M C -0.216 176.087 176.300 0.005 0.000 0.992 2197 M CA 0.235 55.541 55.300 0.009 0.000 0.985 2197 M CB 0.746 33.358 32.600 0.020 0.000 1.673 2197 M HN 0.520 nan 8.290 nan 0.000 0.586 2198 E N -0.827 119.374 120.200 0.001 0.000 2.535 2198 E HA 0.072 4.436 4.350 0.023 0.000 0.216 2198 E C 1.754 178.342 176.600 -0.020 0.000 0.845 2198 E CA 0.553 56.950 56.400 -0.006 0.000 1.306 2198 E CB 0.468 30.168 29.700 -0.000 0.000 1.291 2198 E HN 0.298 nan 8.360 nan 0.000 0.635 2199 S N 0.711 116.400 115.700 -0.018 0.000 2.387 2199 S HA -0.019 4.465 4.470 0.023 0.000 0.226 2199 S C 2.208 176.791 174.600 -0.028 0.000 1.026 2199 S CA 0.821 59.006 58.200 -0.025 0.000 0.972 2199 S CB -0.170 63.017 63.200 -0.022 0.000 0.814 2199 S HN 0.215 nan 8.310 nan 0.000 0.477 2200 A N 1.850 124.657 122.820 -0.021 0.000 1.908 2200 A HA -0.046 4.288 4.320 0.023 0.000 0.218 2200 A C 2.422 180.000 177.584 -0.011 0.000 1.181 2200 A CA 2.187 54.219 52.037 -0.008 0.000 0.627 2200 A CB -1.676 17.326 19.000 0.004 0.000 0.818 2200 A HN 0.572 nan 8.150 nan 0.000 0.445 2201 T N -0.007 114.532 114.554 -0.026 0.000 2.668 2201 T HA -0.113 4.251 4.350 0.023 0.000 0.262 2201 T C 1.887 176.490 174.700 -0.163 0.000 1.045 2201 T CA 1.461 63.525 62.100 -0.059 0.000 1.152 2201 T CB -0.478 68.368 68.868 -0.038 0.000 0.864 2201 T HN 0.354 nan 8.240 nan 0.000 0.419 2202 L N 1.133 122.270 121.223 -0.144 0.000 1.990 2202 L HA -0.074 4.280 4.340 0.023 0.000 0.213 2202 L C 2.211 178.975 176.870 -0.178 0.000 1.072 2202 L CA 1.787 56.510 54.840 -0.194 0.000 0.755 2202 L CB -0.731 41.254 42.059 -0.123 0.000 0.889 2202 L HN 0.254 nan 8.230 nan 0.000 0.432 2203 L N -1.377 119.792 121.223 -0.089 0.000 2.056 2203 L HA -0.169 4.185 4.340 0.023 0.000 0.207 2203 L C 2.360 179.222 176.870 -0.013 0.000 1.078 2203 L CA 1.630 56.449 54.840 -0.035 0.000 0.749 2203 L CB -1.133 40.927 42.059 0.002 0.000 0.901 2203 L HN 0.324 nan 8.230 nan 0.000 0.433 2204 T N 0.654 115.197 114.554 -0.019 0.000 2.737 2204 T HA -0.216 4.148 4.350 0.023 0.000 0.265 2204 T C 1.866 176.477 174.700 -0.148 0.000 1.038 2204 T CA 1.887 64.001 62.100 0.022 0.000 1.144 2204 T CB -0.267 68.639 68.868 0.062 0.000 0.866 2204 T HN 0.438 nan 8.240 nan 0.000 0.434 2205 M N 0.322 119.688 119.600 -0.390 0.000 2.213 2205 M HA -0.025 4.469 4.480 0.023 0.000 0.263 2205 M C 2.183 178.227 176.300 -0.427 0.000 1.062 2205 M CA 1.503 56.343 55.300 -0.767 0.000 1.105 2205 M CB -1.068 30.576 32.600 -1.593 0.000 1.385 2205 M HN 0.190 nan 8.290 nan 0.000 0.417 2206 C N 1.235 120.368 119.300 -0.279 0.000 2.500 2206 C HA 0.200 4.674 4.460 0.023 0.000 0.279 2206 C C 3.272 178.251 174.990 -0.020 0.000 1.288 2206 C CA 0.938 59.874 59.018 -0.137 0.000 1.710 2206 C CB -1.061 26.624 27.740 -0.093 0.000 2.052 2206 C HN 0.762 nan 8.230 nan 0.000 0.488 2207 A N 1.041 123.885 122.820 0.040 0.000 2.015 2207 A HA -0.112 4.222 4.320 0.023 0.000 0.219 2207 A C 2.107 179.806 177.584 0.190 0.000 1.163 2207 A CA 2.024 54.161 52.037 0.166 0.000 0.646 2207 A CB -0.573 18.598 19.000 0.285 0.000 0.806 2207 A HN 0.705 nan 8.150 nan 0.000 0.448 2208 S N -1.899 113.789 115.700 -0.020 0.000 2.605 2208 S HA 0.193 4.677 4.470 0.023 0.000 0.217 2208 S C 0.865 175.417 174.600 -0.079 0.000 0.958 2208 S CA 0.206 58.279 58.200 -0.211 0.000 0.919 2208 S CB 0.108 62.935 63.200 -0.621 0.000 0.780 2208 S HN 0.623 nan 8.310 nan 0.000 0.507 2209 Q N 0.163 119.949 119.800 -0.023 0.000 2.057 2209 Q HA 0.328 4.682 4.340 0.023 0.000 0.216 2209 Q C 0.606 176.626 176.000 0.033 0.000 0.788 2209 Q CA 0.073 55.878 55.803 0.004 0.000 1.053 2209 Q CB 1.108 29.840 28.738 -0.009 0.000 1.210 2209 Q HN 0.637 nan 8.270 nan 0.000 0.455 2210 G N 1.490 110.320 108.800 0.050 0.000 2.160 2210 G HA2 -0.271 3.703 3.960 0.023 0.000 0.251 2210 G HA3 -0.271 3.703 3.960 0.023 0.000 0.251 2210 G C -0.133 174.812 174.900 0.074 0.000 1.008 2210 G CA 0.225 45.362 45.100 0.063 0.000 0.724 2210 G HN 0.255 nan 8.290 nan 0.000 0.514 2211 L N -0.364 120.908 121.223 0.082 0.000 2.325 2211 L HA 0.627 4.981 4.340 0.023 0.000 0.278 2211 L C 0.938 177.888 176.870 0.133 0.000 1.023 2211 L CA -1.137 53.782 54.840 0.131 0.000 0.811 2211 L CB 1.407 43.571 42.059 0.174 0.000 1.249 2211 L HN 0.052 nan 8.230 nan 0.000 0.431 2212 R N 1.971 122.563 120.500 0.153 0.000 2.297 2212 R HA 0.750 5.104 4.340 0.023 0.000 0.308 2212 R C -0.669 175.735 176.300 0.174 0.000 1.029 2212 R CA -0.445 55.731 56.100 0.127 0.000 0.929 2212 R CB 1.498 31.848 30.300 0.084 0.000 1.046 2212 R HN 0.710 nan 8.270 nan 0.000 0.461 2213 A N 1.456 124.351 122.820 0.125 0.000 2.486 2213 A HA 0.811 5.145 4.320 0.023 0.000 0.300 2213 A C -0.790 176.836 177.584 0.071 0.000 1.048 2213 A CA -0.612 51.498 52.037 0.121 0.000 0.696 2213 A CB 2.284 21.331 19.000 0.079 0.000 1.278 2213 A HN 0.769 nan 8.150 nan 0.000 0.405 2214 G N -0.135 108.703 108.800 0.063 0.000 2.690 2214 G HA2 0.665 4.639 3.960 0.023 0.000 0.291 2214 G HA3 0.665 4.639 3.960 0.023 0.000 0.291 2214 G C -1.247 173.671 174.900 0.029 0.000 1.403 2214 G CA -0.454 44.666 45.100 0.032 0.000 0.864 2214 G HN 1.055 nan 8.290 nan 0.000 0.480 2215 M N 1.416 121.024 119.600 0.014 0.000 2.324 2215 M HA 0.667 5.161 4.480 0.023 0.000 0.288 2215 M C -1.873 174.431 176.300 0.006 0.000 1.097 2215 M CA -0.833 54.475 55.300 0.012 0.000 0.928 2215 M CB 2.294 34.898 32.600 0.008 0.000 1.648 2215 M HN 0.590 nan 8.290 nan 0.000 0.460 2216 V N 4.029 123.948 119.914 0.008 0.000 2.769 2216 V HA 1.034 5.168 4.120 0.023 0.000 0.312 2216 V C -1.375 174.726 176.094 0.012 0.000 1.061 2216 V CA -0.123 62.182 62.300 0.008 0.000 0.931 2216 V CB 1.954 33.780 31.823 0.005 0.000 1.010 2216 V HN 1.024 nan 8.190 nan 0.000 0.433 2217 A N 3.732 126.561 122.820 0.014 0.000 2.549 2217 A HA 0.872 5.206 4.320 0.023 0.000 0.297 2217 A C -0.261 177.337 177.584 0.024 0.000 1.061 2217 A CA -0.122 51.925 52.037 0.016 0.000 0.690 2217 A CB 1.799 20.805 19.000 0.010 0.000 1.287 2217 A HN 1.492 nan 8.150 nan 0.000 0.402 2218 G N 0.226 109.041 108.800 0.026 0.000 2.332 2218 G HA2 0.521 4.495 3.960 0.023 0.000 0.310 2218 G HA3 0.521 4.495 3.960 0.023 0.000 0.310 2218 G C -0.472 174.444 174.900 0.027 0.000 1.123 2218 G CA -0.340 44.781 45.100 0.035 0.000 0.873 2218 G HN 0.921 nan 8.290 nan 0.000 0.460 2219 V N 3.692 123.625 119.914 0.031 0.000 2.405 2219 V HA 0.090 4.224 4.120 0.023 0.000 0.264 2219 V C 1.099 177.204 176.094 0.018 0.000 1.048 2219 V CA -0.025 62.285 62.300 0.017 0.000 0.966 2219 V CB 0.503 32.332 31.823 0.009 0.000 1.015 2219 V HN 0.771 nan 8.190 nan 0.000 0.477 2220 I N 4.141 124.719 120.570 0.013 0.000 3.939 2220 I HA 0.362 4.546 4.170 0.023 0.000 0.313 2220 I C 0.514 176.639 176.117 0.013 0.000 1.274 2220 I CA 0.330 61.639 61.300 0.014 0.000 1.301 2220 I CB 0.375 38.383 38.000 0.013 0.000 1.105 2220 I HN 0.415 nan 8.210 nan 0.000 0.427 2221 V N -1.926 117.994 119.914 0.011 0.000 3.182 2221 V HA 0.650 4.784 4.120 0.023 0.000 0.308 2221 V C -1.432 174.661 176.094 -0.001 0.000 1.240 2221 V CA -0.751 61.555 62.300 0.010 0.000 1.063 2221 V CB 1.854 33.688 31.823 0.019 0.000 1.076 2221 V HN 0.282 nan 8.190 nan 0.000 0.446 2222 N N 0.580 119.280 118.700 -0.000 0.000 2.454 2222 N HA 0.422 5.176 4.740 0.023 0.000 0.291 2222 N C 0.556 176.069 175.510 0.005 0.000 1.079 2222 N CA -0.617 52.428 53.050 -0.009 0.000 0.893 2222 N CB 2.566 41.040 38.487 -0.021 0.000 1.512 2222 N HN 0.721 nan 8.380 nan 0.000 0.497 2223 R N 0.633 121.140 120.500 0.012 0.000 2.091 2223 R HA -0.090 4.264 4.340 0.023 0.000 0.238 2223 R C 1.618 177.936 176.300 0.030 0.000 1.136 2223 R CA 2.153 58.270 56.100 0.029 0.000 0.959 2223 R CB -0.838 29.495 30.300 0.055 0.000 0.856 2223 R HN 0.755 nan 8.270 nan 0.000 0.437 2224 T N -1.637 112.929 114.554 0.021 0.000 2.942 2224 T HA -0.019 4.345 4.350 0.023 0.000 0.265 2224 T C 1.203 175.914 174.700 0.018 0.000 1.062 2224 T CA 0.340 62.453 62.100 0.023 0.000 1.139 2224 T CB 0.135 69.013 68.868 0.017 0.000 0.883 2224 T HN 0.195 nan 8.240 nan 0.000 0.468 2235 K N 0.218 120.586 120.400 -0.053 0.000 2.137 2235 K HA -0.004 4.330 4.320 0.023 0.000 0.202 2235 K C 1.435 177.960 176.600 -0.124 0.000 1.052 2235 K CA 1.734 57.978 56.287 -0.072 0.000 0.961 2235 K CB 0.074 32.536 32.500 -0.063 0.000 0.741 2235 K HN 0.480 nan 8.250 nan 0.000 0.452 2236 Q N 0.112 119.816 119.800 -0.160 0.000 2.124 2236 Q HA -0.087 4.267 4.340 0.023 0.000 0.202 2236 Q C 1.909 177.639 176.000 -0.451 0.000 0.977 2236 Q CA 2.259 57.855 55.803 -0.346 0.000 0.850 2236 Q CB -0.310 28.256 28.738 -0.287 0.000 0.901 2236 Q HN 0.301 nan 8.270 nan 0.000 0.429 2237 T N 0.890 115.345 114.554 -0.166 0.000 2.708 2237 T HA -0.162 4.202 4.350 0.023 0.000 0.266 2237 T C 1.510 176.188 174.700 -0.037 0.000 1.037 2237 T CA 1.223 63.306 62.100 -0.028 0.000 1.146 2237 T CB -0.193 68.686 68.868 0.020 0.000 0.865 2237 T HN 0.236 nan 8.240 nan 0.000 0.435 2238 E N 1.170 121.333 120.200 -0.061 0.000 2.070 2238 E HA -0.119 4.245 4.350 0.023 0.000 0.197 2238 E C 2.645 179.208 176.600 -0.061 0.000 1.004 2238 E CA 1.308 57.678 56.400 -0.049 0.000 0.805 2238 E CB -0.302 29.366 29.700 -0.054 0.000 0.744 2238 E HN 0.412 nan 8.360 nan 0.000 0.451 2239 S N -0.178 115.448 115.700 -0.123 0.000 2.368 2239 S HA -0.154 4.330 4.470 0.023 0.000 0.225 2239 S C 1.763 176.332 174.600 -0.052 0.000 1.030 2239 S CA 1.159 59.286 58.200 -0.121 0.000 0.999 2239 S CB -0.404 62.684 63.200 -0.187 0.000 0.844 2239 S HN 0.436 nan 8.310 nan 0.000 0.459 2240 H N 1.150 120.211 119.070 -0.015 0.000 2.321 2240 H HA -0.007 4.563 4.556 0.023 0.000 0.300 2240 H C 2.499 177.818 175.328 -0.015 0.000 1.087 2240 H CA 1.018 57.057 56.048 -0.014 0.000 1.319 2240 H CB -0.211 29.544 29.762 -0.011 0.000 1.379 2240 H HN 0.441 nan 8.280 nan 0.000 0.501 2241 A N 0.600 123.487 122.820 0.113 0.000 1.940 2241 A HA -0.144 4.190 4.320 0.023 0.000 0.219 2241 A C 2.556 180.158 177.584 0.029 0.000 1.176 2241 A CA 1.603 53.673 52.037 0.055 0.000 0.631 2241 A CB -0.697 18.325 19.000 0.037 0.000 0.814 2241 A HN 0.225 nan 8.150 nan 0.000 0.446 2242 V N -0.138 119.786 119.914 0.018 0.000 2.379 2242 V HA -0.229 3.906 4.120 0.023 0.000 0.245 2242 V C 2.382 178.480 176.094 0.007 0.000 1.044 2242 V CA 2.223 64.524 62.300 0.001 0.000 1.036 2242 V CB -0.642 31.169 31.823 -0.019 0.000 0.664 2242 V HN 0.542 nan 8.190 nan 0.000 0.453 2243 K N 0.030 120.444 120.400 0.022 0.000 2.063 2243 K HA -0.135 4.199 4.320 0.023 0.000 0.208 2243 K C 2.009 178.619 176.600 0.016 0.000 1.048 2243 K CA 1.658 57.960 56.287 0.025 0.000 0.928 2243 K CB -0.334 32.197 32.500 0.053 0.000 0.713 2243 K HN 0.383 nan 8.250 nan 0.000 0.442 2244 I N 0.183 120.765 120.570 0.020 0.000 2.179 2244 I HA -0.257 3.927 4.170 0.023 0.000 0.242 2244 I C 2.316 178.431 176.117 -0.002 0.000 1.088 2244 I CA 0.904 62.206 61.300 0.004 0.000 1.357 2244 I CB -0.215 37.788 38.000 0.004 0.000 1.051 2244 I HN -0.007 nan 8.210 nan 0.000 0.409 2245 V N 0.285 120.200 119.914 0.002 0.000 2.515 2245 V HA -0.175 3.959 4.120 0.023 0.000 0.250 2245 V C 2.293 178.384 176.094 -0.004 0.000 1.058 2245 V CA 1.503 63.803 62.300 -0.001 0.000 1.064 2245 V CB 0.216 32.042 31.823 0.004 0.000 0.675 2245 V HN 0.213 nan 8.190 nan 0.000 0.461 2246 V N -0.041 119.870 119.914 -0.004 0.000 2.379 2246 V HA -0.153 3.981 4.120 0.023 0.000 0.245 2246 V C 2.492 178.582 176.094 -0.008 0.000 1.044 2246 V CA 2.066 64.362 62.300 -0.006 0.000 1.036 2246 V CB -0.572 31.247 31.823 -0.006 0.000 0.664 2246 V HN 0.638 nan 8.190 nan 0.000 0.453 2247 E N 1.045 121.240 120.200 -0.008 0.000 2.106 2247 E HA -0.139 4.225 4.350 0.023 0.000 0.192 2247 E C 2.090 178.679 176.600 -0.017 0.000 0.984 2247 E CA 1.545 57.938 56.400 -0.011 0.000 0.806 2247 E CB -0.426 29.267 29.700 -0.011 0.000 0.750 2247 E HN 0.496 nan 8.360 nan 0.000 0.458 2248 A N 0.735 123.544 122.820 -0.019 0.000 1.933 2248 A HA -0.008 4.326 4.320 0.023 0.000 0.218 2248 A C 2.430 180.000 177.584 -0.024 0.000 1.175 2248 A CA 1.864 53.886 52.037 -0.025 0.000 0.628 2248 A CB -0.936 18.049 19.000 -0.026 0.000 0.814 2248 A HN 0.377 nan 8.150 nan 0.000 0.444 2249 A N -0.185 122.624 122.820 -0.018 0.000 1.933 2249 A HA -0.178 4.156 4.320 0.023 0.000 0.218 2249 A C 2.204 179.777 177.584 -0.020 0.000 1.175 2249 A CA 1.598 53.623 52.037 -0.020 0.000 0.628 2249 A CB -0.477 18.513 19.000 -0.017 0.000 0.814 2249 A HN 0.540 nan 8.150 nan 0.000 0.444 2250 R N -0.616 119.875 120.500 -0.016 0.000 2.117 2250 R HA -0.139 4.215 4.340 0.023 0.000 0.243 2250 R C 2.281 178.571 176.300 -0.016 0.000 1.143 2250 R CA 1.827 57.919 56.100 -0.014 0.000 0.968 2250 R CB -0.248 30.045 30.300 -0.012 0.000 0.863 2250 R HN 0.539 nan 8.270 nan 0.000 0.444 2251 R N -0.093 120.395 120.500 -0.020 0.000 2.236 2251 R HA 0.006 4.360 4.340 0.023 0.000 0.208 2251 R C 1.532 177.820 176.300 -0.020 0.000 1.036 2251 R CA 0.697 56.784 56.100 -0.021 0.000 1.001 2251 R CB 0.113 30.396 30.300 -0.029 0.000 0.896 2251 R HN 0.218 nan 8.270 nan 0.000 0.464 2252 L N 0.275 121.485 121.223 -0.022 0.000 2.693 2252 L HA 0.214 4.568 4.340 0.023 0.000 0.235 2252 L C 0.617 177.475 176.870 -0.020 0.000 1.127 2252 L CA -0.231 54.597 54.840 -0.021 0.000 0.914 2252 L CB 0.203 42.247 42.059 -0.024 0.000 1.193 2252 L HN 0.033 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.211 121.223 -0.020 0.000 2.949 2253 L HA 0.000 4.354 4.340 0.023 0.000 0.249 2253 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 2253 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502