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 1n10_1_B DATA FIRST_RESID 2003 DATA SEQUENCE PKVPPGPNIT ATYGDKWLDA KSTWYGXXXX XXXXXXGGAc GYKDVDKPPF DATA SEQUENCE SGMTGCGNTP IFKSGRGcGS cFEIKcTKPE AcSGEPVVVH ITDDNEEPIA DATA SEQUENCE PYHFDLSGHA FGAMAKKGDE QKLRSAGELE LQFRRVKcKY PEGTKVTFHV DATA SEQUENCE EKGSNPNYLA LLVKYVNGDG DVVAVDIKEK GKDKWIELKE SWGAIWRIDT DATA SEQUENCE PDKLTGPFTV RYTTEGGTKT EAEDVIPEGW KADTSYES 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2003 P C 0.000 177.298 177.300 -0.003 0.000 1.155 2003 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 2003 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 2004 K N 1.017 121.415 120.400 -0.003 0.000 2.026 2004 K HA 0.006 4.326 4.320 0.001 0.000 0.208 2004 K C 0.609 177.207 176.600 -0.003 0.000 1.048 2004 K CA 1.569 57.854 56.287 -0.003 0.000 0.929 2004 K CB -0.297 32.201 32.500 -0.002 0.000 0.713 2004 K HN 0.343 nan 8.250 nan 0.000 0.439 2005 V N 3.825 123.737 119.914 -0.003 0.000 2.427 2005 V HA 0.193 4.313 4.120 0.001 0.000 0.268 2005 V C -2.203 173.889 176.094 -0.004 0.000 1.046 2005 V CA -1.671 60.627 62.300 -0.003 0.000 0.970 2005 V CB 0.595 32.416 31.823 -0.003 0.000 1.001 2005 V HN 0.266 nan 8.190 nan 0.000 0.476 2006 P HA 0.159 nan 4.420 nan 0.000 0.265 2006 P C -2.246 175.051 177.300 -0.005 0.000 1.193 2006 P CA -0.725 62.373 63.100 -0.004 0.000 0.765 2006 P CB -0.229 31.468 31.700 -0.004 0.000 0.823 2007 P HA 0.090 nan 4.420 nan 0.000 0.271 2007 P C 0.489 177.785 177.300 -0.007 0.000 1.216 2007 P CA 0.013 63.109 63.100 -0.006 0.000 0.776 2007 P CB 0.676 32.373 31.700 -0.006 0.000 0.881 2008 G N 3.352 112.148 108.800 -0.007 0.000 2.647 2008 G HA2 0.255 4.216 3.960 0.001 0.000 0.271 2008 G HA3 0.255 4.216 3.960 0.001 0.000 0.271 2008 G C -2.001 172.894 174.900 -0.009 0.000 1.300 2008 G CA -0.781 44.314 45.100 -0.008 0.000 0.997 2008 G HN 0.496 nan 8.290 nan 0.000 0.533 2009 P HA 0.106 nan 4.420 nan 0.000 0.271 2009 P C -0.376 176.916 177.300 -0.013 0.000 1.218 2009 P CA -0.637 62.456 63.100 -0.012 0.000 0.780 2009 P CB 0.660 32.353 31.700 -0.013 0.000 0.901 2010 N N 1.387 120.078 118.700 -0.014 0.000 2.292 2010 N HA -0.003 4.738 4.740 0.001 0.000 0.242 2010 N C 0.178 175.678 175.510 -0.018 0.000 1.243 2010 N CA 0.442 53.483 53.050 -0.015 0.000 0.851 2010 N CB -0.065 38.413 38.487 -0.016 0.000 1.093 2010 N HN 0.381 nan 8.380 nan 0.000 0.450 2011 I N 1.804 122.363 120.570 -0.018 0.000 2.313 2011 I HA 0.103 4.274 4.170 0.001 0.000 0.286 2011 I C 0.329 176.431 176.117 -0.025 0.000 1.091 2011 I CA -0.276 61.012 61.300 -0.021 0.000 1.216 2011 I CB -0.076 37.913 38.000 -0.018 0.000 1.434 2011 I HN 0.458 nan 8.210 nan 0.000 0.487 2012 T N 1.943 116.479 114.554 -0.030 0.000 2.906 2012 T HA 0.746 5.096 4.350 0.001 0.000 0.295 2012 T C -0.243 174.426 174.700 -0.050 0.000 1.075 2012 T CA -0.903 61.175 62.100 -0.037 0.000 1.005 2012 T CB 2.105 70.952 68.868 -0.034 0.000 1.136 2012 T HN 0.386 nan 8.240 nan 0.000 0.498 2013 A N 2.046 124.826 122.820 -0.065 0.000 2.409 2013 A HA 0.658 4.978 4.320 0.001 0.000 0.267 2013 A C 0.782 178.289 177.584 -0.128 0.000 1.127 2013 A CA -0.151 51.827 52.037 -0.098 0.000 0.795 2013 A CB -0.539 18.393 19.000 -0.112 0.000 1.061 2013 A HN 1.399 nan 8.150 nan 0.000 0.502 2014 T N -0.273 114.196 114.554 -0.142 0.000 2.887 2014 T HA 0.638 4.988 4.350 0.001 0.000 0.292 2014 T C -0.564 174.012 174.700 -0.206 0.000 1.087 2014 T CA -0.607 61.407 62.100 -0.143 0.000 1.009 2014 T CB 0.538 69.374 68.868 -0.053 0.000 1.203 2014 T HN 0.363 nan 8.240 nan 0.000 0.518 2015 Y N 0.647 120.913 120.300 -0.057 0.000 2.326 2015 Y HA 0.504 5.054 4.550 0.001 0.000 0.333 2015 Y C 1.768 177.617 175.900 -0.085 0.000 1.240 2015 Y CA 0.775 58.836 58.100 -0.065 0.000 1.365 2015 Y CB 0.324 38.732 38.460 -0.087 0.000 1.289 2015 Y HN 1.125 nan 8.280 nan 0.000 0.548 2016 G N 0.851 109.689 108.800 0.064 0.000 2.332 2016 G HA2 0.016 3.977 3.960 0.001 0.000 0.311 2016 G HA3 0.016 3.977 3.960 0.001 0.000 0.311 2016 G C 0.168 175.018 174.900 -0.084 0.000 1.392 2016 G CA 0.648 45.730 45.100 -0.029 0.000 1.110 2016 G HN 0.853 nan 8.290 nan 0.000 0.594 2017 D N -2.453 117.857 120.400 -0.150 0.000 2.601 2017 D HA 0.003 4.643 4.640 0.001 0.000 0.350 2017 D C 0.226 176.344 176.300 -0.303 0.000 1.386 2017 D CA -0.195 53.672 54.000 -0.221 0.000 0.929 2017 D CB -0.471 40.249 40.800 -0.134 0.000 1.456 2017 D HN 0.609 nan 8.370 nan 0.000 0.430 2018 K N 0.017 120.262 120.400 -0.259 0.000 2.123 2018 K HA 0.584 4.904 4.320 0.001 0.000 0.248 2018 K C -0.888 175.519 176.600 -0.322 0.000 0.969 2018 K CA -0.821 55.343 56.287 -0.205 0.000 0.882 2018 K CB 1.221 33.684 32.500 -0.061 0.000 1.080 2018 K HN -0.172 nan 8.250 nan 0.000 0.441 2019 W N 1.684 122.920 121.300 -0.105 0.000 2.316 2019 W HA 0.323 4.983 4.660 0.000 0.000 0.321 2019 W C -0.694 175.695 176.519 -0.217 0.000 1.203 2019 W CA -0.701 56.544 57.345 -0.167 0.000 1.214 2019 W CB 0.604 30.002 29.460 -0.104 0.000 1.169 2019 W HN 0.258 nan 8.180 nan 0.000 0.561 2020 L N 2.938 124.030 121.223 -0.218 0.000 2.322 2020 L HA 0.448 4.788 4.340 0.001 0.000 0.269 2020 L C -0.247 176.622 176.870 -0.003 0.000 1.012 2020 L CA -0.917 53.746 54.840 -0.295 0.000 0.815 2020 L CB 0.935 42.450 42.059 -0.905 0.000 1.295 2020 L HN 0.263 nan 8.230 nan 0.000 0.438 2021 D N 0.967 121.533 120.400 0.278 0.000 2.168 2021 D HA 0.758 5.398 4.640 0.001 0.000 0.246 2021 D C -0.678 175.986 176.300 0.607 0.000 1.050 2021 D CA -0.134 54.094 54.000 0.380 0.000 0.857 2021 D CB 1.988 42.929 40.800 0.235 0.000 1.169 2021 D HN 0.663 nan 8.370 nan 0.000 0.453 2022 A N 1.442 124.553 122.820 0.486 0.000 2.594 2022 A HA 0.559 4.880 4.320 0.001 0.000 0.295 2022 A C -0.538 177.184 177.584 0.229 0.000 1.071 2022 A CA -0.839 51.446 52.037 0.414 0.000 0.685 2022 A CB 1.588 20.831 19.000 0.405 0.000 1.285 2022 A HN 0.291 nan 8.150 nan 0.000 0.405 2023 K N 0.206 120.697 120.400 0.150 0.000 2.126 2023 K HA 0.651 4.971 4.320 0.001 0.000 0.257 2023 K C -0.095 176.572 176.600 0.113 0.000 1.007 2023 K CA 0.340 56.646 56.287 0.031 0.000 0.928 2023 K CB 0.999 33.397 32.500 -0.171 0.000 1.013 2023 K HN 0.799 nan 8.250 nan 0.000 0.473 2024 S N 0.832 116.610 115.700 0.131 0.000 2.546 2024 S HA 0.642 5.113 4.470 0.001 0.000 0.272 2024 S C -1.428 173.443 174.600 0.451 0.000 1.140 2024 S CA -0.521 57.860 58.200 0.303 0.000 0.920 2024 S CB 0.741 64.047 63.200 0.176 0.000 1.083 2024 S HN 0.749 nan 8.310 nan 0.000 0.476 2025 T N 1.315 116.180 114.554 0.519 0.000 2.838 2025 T HA 0.830 5.180 4.350 0.001 0.000 0.292 2025 T C -1.026 173.860 174.700 0.311 0.000 1.113 2025 T CA -0.902 61.425 62.100 0.378 0.000 1.008 2025 T CB 1.309 70.321 68.868 0.239 0.000 1.259 2025 T HN 0.883 nan 8.240 nan 0.000 0.520 2026 W N 0.108 121.301 121.300 -0.179 0.000 3.032 2026 W HA 0.740 5.400 4.660 0.000 0.000 0.341 2026 W C -2.342 174.101 176.519 -0.127 0.000 1.202 2026 W CA -1.719 55.466 57.345 -0.268 0.000 1.132 2026 W CB 0.549 29.764 29.460 -0.409 0.000 1.465 2026 W HN 0.866 nan 8.180 nan 0.000 0.576 2027 Y N 0.169 120.620 120.300 0.252 0.000 2.553 2027 Y HA 0.895 5.445 4.550 0.001 0.000 0.347 2027 Y C -0.248 175.831 175.900 0.299 0.000 1.019 2027 Y CA -1.641 56.518 58.100 0.098 0.000 1.032 2027 Y CB 1.395 39.879 38.460 0.040 0.000 1.284 2027 Y HN 0.805 nan 8.280 nan 0.000 0.466 2040 G N -0.546 108.259 108.800 0.009 0.000 2.537 2040 G HA2 0.592 4.552 3.960 0.001 0.000 0.273 2040 G HA3 0.592 4.552 3.960 0.001 0.000 0.273 2040 G C 1.319 176.213 174.900 -0.011 0.000 1.189 2040 G CA 0.360 45.453 45.100 -0.013 0.000 0.881 2040 G HN 0.949 nan 8.290 nan 0.000 0.535 2041 A N -0.624 122.196 122.820 -0.000 0.000 2.076 2041 A HA -0.111 4.209 4.320 0.001 0.000 0.220 2041 A C 2.174 179.798 177.584 0.066 0.000 1.160 2041 A CA 1.785 53.871 52.037 0.082 0.000 0.653 2041 A CB -0.597 18.461 19.000 0.096 0.000 0.801 2041 A HN 0.585 nan 8.150 nan 0.000 0.455 2042 c N -1.345 117.215 118.600 -0.066 0.000 2.576 2042 c HA 0.406 4.977 4.570 0.001 0.000 0.267 2042 c C 2.026 175.853 174.090 -0.440 0.000 1.364 2042 c CA 0.141 56.266 56.329 -0.341 0.000 1.723 2042 c CB -1.301 40.797 42.510 -0.688 0.000 1.778 2042 c HN 1.065 nan 8.230 nan 0.000 0.572 2043 G N -0.151 108.532 108.800 -0.195 0.000 2.153 2043 G HA2 -0.266 3.694 3.960 0.001 0.000 0.252 2043 G HA3 -0.266 3.694 3.960 0.001 0.000 0.252 2043 G C -0.190 174.713 174.900 0.005 0.000 0.994 2043 G CA 0.018 45.072 45.100 -0.078 0.000 0.698 2043 G HN 0.499 nan 8.290 nan 0.000 0.521 2044 Y N 0.099 120.433 120.300 0.057 0.000 2.304 2044 Y HA 0.529 5.079 4.550 0.000 0.000 0.327 2044 Y C 1.551 177.495 175.900 0.072 0.000 1.209 2044 Y CA -0.583 57.573 58.100 0.092 0.000 1.299 2044 Y CB 0.877 39.499 38.460 0.270 0.000 1.249 2044 Y HN 0.132 nan 8.280 nan 0.000 0.519 2045 K N 0.277 120.807 120.400 0.218 0.000 2.253 2045 K HA 0.083 4.403 4.320 0.001 0.000 0.225 2045 K C -0.468 176.210 176.600 0.129 0.000 1.037 2045 K CA 0.220 56.579 56.287 0.121 0.000 0.928 2045 K CB 0.150 32.673 32.500 0.038 0.000 1.057 2045 K HN 0.441 nan 8.250 nan 0.000 0.462 2046 D N 2.163 122.622 120.400 0.098 0.000 2.558 2046 D HA 0.053 4.693 4.640 0.001 0.000 0.221 2046 D C 0.536 176.909 176.300 0.122 0.000 1.143 2046 D CA 0.119 54.169 54.000 0.082 0.000 1.010 2046 D CB 1.030 41.849 40.800 0.031 0.000 1.068 2046 D HN -0.100 nan 8.370 nan 0.000 0.511 2047 V N 1.589 121.621 119.914 0.197 0.000 2.970 2047 V HA -0.159 3.961 4.120 0.001 0.000 0.260 2047 V C 1.792 178.013 176.094 0.212 0.000 1.100 2047 V CA 1.315 63.793 62.300 0.296 0.000 1.122 2047 V CB -0.149 31.857 31.823 0.304 0.000 0.721 2047 V HN 0.476 nan 8.190 nan 0.000 0.483 2048 D N -0.260 120.216 120.400 0.128 0.000 2.277 2048 D HA -0.065 4.576 4.640 0.001 0.000 0.208 2048 D C 0.869 177.194 176.300 0.041 0.000 0.962 2048 D CA 0.335 54.382 54.000 0.079 0.000 0.865 2048 D CB 0.321 41.151 40.800 0.049 0.000 0.939 2048 D HN 0.386 nan 8.370 nan 0.000 0.510 2049 K N 0.981 121.398 120.400 0.027 0.000 2.109 2049 K HA 0.393 4.713 4.320 0.001 0.000 0.243 2049 K C -2.539 174.021 176.600 -0.066 0.000 1.006 2049 K CA -1.948 54.326 56.287 -0.022 0.000 0.917 2049 K CB 0.791 33.269 32.500 -0.036 0.000 1.081 2049 K HN -0.173 nan 8.250 nan 0.000 0.468 2050 P HA -0.054 nan 4.420 nan 0.000 0.269 2050 P C -1.944 175.113 177.300 -0.406 0.000 1.217 2050 P CA -0.703 62.276 63.100 -0.200 0.000 0.783 2050 P CB 0.147 31.745 31.700 -0.170 0.000 0.898 2051 P HA -0.014 nan 4.420 nan 0.000 0.235 2051 P C 1.025 178.153 177.300 -0.287 0.000 1.177 2051 P CA 0.975 63.793 63.100 -0.470 0.000 0.785 2051 P CB -0.000 31.317 31.700 -0.639 0.000 0.885 2052 F N 1.559 121.346 119.950 -0.272 0.000 2.075 2052 F HA -0.050 4.477 4.527 0.001 0.000 0.297 2052 F C 1.460 177.230 175.800 -0.050 0.000 1.113 2052 F CA 0.654 58.475 58.000 -0.299 0.000 1.218 2052 F CB -1.661 37.232 39.000 -0.178 0.000 0.984 2052 F HN -0.113 nan 8.300 nan 0.000 0.472 2053 S N -0.263 115.540 115.700 0.171 0.000 3.783 2053 S HA -0.030 4.440 4.470 0.001 0.000 0.360 2053 S C 1.352 176.066 174.600 0.190 0.000 1.006 2053 S CA 0.728 59.005 58.200 0.129 0.000 1.115 2053 S CB -1.803 61.460 63.200 0.104 0.000 0.893 2053 S HN 1.166 nan 8.310 nan 0.000 0.475 2054 G N 0.144 109.077 108.800 0.222 0.000 2.267 2054 G HA2 -0.335 3.625 3.960 0.001 0.000 0.257 2054 G HA3 -0.335 3.625 3.960 0.001 0.000 0.257 2054 G C 0.215 175.320 174.900 0.342 0.000 0.998 2054 G CA 0.434 45.697 45.100 0.272 0.000 0.620 2054 G HN 0.578 nan 8.290 nan 0.000 0.529 2055 M N 3.143 122.945 119.600 0.336 0.000 3.442 2055 M HA 0.280 4.760 4.480 0.001 0.000 0.232 2055 M C 0.877 177.337 176.300 0.267 0.000 1.508 2055 M CA 1.108 56.574 55.300 0.277 0.000 1.647 2055 M CB -1.473 31.317 32.600 0.317 0.000 1.126 2055 M HN 0.601 nan 8.290 nan 0.000 0.557 2056 T N -1.763 112.908 114.554 0.194 0.000 2.887 2056 T HA 0.961 5.312 4.350 0.001 0.000 0.292 2056 T C -0.045 174.747 174.700 0.154 0.000 1.087 2056 T CA -0.784 61.408 62.100 0.153 0.000 1.009 2056 T CB 2.847 71.786 68.868 0.117 0.000 1.203 2056 T HN 0.523 nan 8.240 nan 0.000 0.518 2057 G N -0.826 108.082 108.800 0.180 0.000 2.616 2057 G HA2 0.498 4.459 3.960 0.001 0.000 0.294 2057 G HA3 0.498 4.459 3.960 0.001 0.000 0.294 2057 G C -1.005 174.022 174.900 0.211 0.000 1.489 2057 G CA -0.756 44.445 45.100 0.169 0.000 0.836 2057 G HN 1.026 nan 8.290 nan 0.000 0.527 2058 C N 0.445 119.890 119.300 0.241 0.000 2.593 2058 C HA 0.744 5.205 4.460 0.001 0.000 0.409 2058 C C 1.211 176.167 174.990 -0.056 0.000 1.304 2058 C CA 0.423 59.526 59.018 0.142 0.000 2.007 2058 C CB 0.190 28.055 27.740 0.209 0.000 2.614 2058 C HN 0.981 nan 8.230 nan 0.000 0.585 2059 G N 3.855 112.585 108.800 -0.117 0.000 2.513 2059 G HA2 0.476 4.436 3.960 0.001 0.000 0.317 2059 G HA3 0.476 4.436 3.960 0.001 0.000 0.317 2059 G C -0.477 174.301 174.900 -0.203 0.000 1.277 2059 G CA -0.400 44.508 45.100 -0.321 0.000 0.955 2059 G HN 0.855 nan 8.290 nan 0.000 0.484 2060 N N 0.509 119.066 118.700 -0.238 0.000 2.424 2060 N HA 0.030 4.770 4.740 0.001 0.000 0.257 2060 N C 1.443 176.962 175.510 0.014 0.000 1.250 2060 N CA 0.415 53.410 53.050 -0.091 0.000 0.946 2060 N CB 0.738 39.196 38.487 -0.049 0.000 1.175 2060 N HN 0.444 nan 8.380 nan 0.000 0.477 2061 T N -0.107 114.492 114.554 0.074 0.000 2.731 2061 T HA -0.172 4.178 4.350 0.001 0.000 0.259 2061 T C -0.791 173.992 174.700 0.137 0.000 1.054 2061 T CA 2.281 64.465 62.100 0.140 0.000 1.158 2061 T CB -1.206 67.740 68.868 0.130 0.000 0.847 2061 T HN 0.721 nan 8.240 nan 0.000 0.470 2062 P HA 0.207 nan 4.420 nan 0.000 0.241 2062 P C 1.421 178.816 177.300 0.158 0.000 1.191 2062 P CA 0.683 63.895 63.100 0.187 0.000 0.771 2062 P CB -0.093 31.797 31.700 0.318 0.000 0.929 2063 I N -2.428 118.183 120.570 0.069 0.000 3.194 2063 I HA 0.001 4.171 4.170 0.001 0.000 0.271 2063 I C 2.199 178.354 176.117 0.063 0.000 1.150 2063 I CA 0.276 61.578 61.300 0.004 0.000 1.440 2063 I CB -0.324 37.468 38.000 -0.346 0.000 1.276 2063 I HN -0.233 nan 8.210 nan 0.000 0.457 2064 F N 2.744 122.638 119.950 -0.093 0.000 2.146 2064 F HA -0.069 4.458 4.527 0.000 0.000 0.298 2064 F C 1.024 176.733 175.800 -0.152 0.000 1.096 2064 F CA 1.064 58.987 58.000 -0.128 0.000 1.275 2064 F CB -0.073 38.832 39.000 -0.158 0.000 1.008 2064 F HN -0.111 nan 8.300 nan 0.000 0.480 2065 K N 1.033 121.394 120.400 -0.065 0.000 3.278 2065 K HA -0.255 4.066 4.320 0.001 0.000 0.270 2065 K C 0.612 177.000 176.600 -0.355 0.000 0.955 2065 K CA 0.500 56.708 56.287 -0.132 0.000 0.723 2065 K CB -2.046 30.399 32.500 -0.092 0.000 1.382 2065 K HN 0.416 nan 8.250 nan 0.000 0.461 2066 S N -2.456 113.009 115.700 -0.393 0.000 3.257 2066 S HA -0.278 4.192 4.470 0.001 0.000 0.300 2066 S C 1.207 175.039 174.600 -1.281 0.000 1.275 2066 S CA 2.032 59.709 58.200 -0.872 0.000 1.023 2066 S CB -1.117 61.888 63.200 -0.325 0.000 1.180 2066 S HN 1.285 nan 8.310 nan 0.000 0.660 2067 G N 0.210 107.967 108.800 -1.738 0.000 2.352 2067 G HA2 -0.275 3.685 3.960 0.001 0.000 0.204 2067 G HA3 -0.275 3.685 3.960 0.001 0.000 0.204 2067 G C 0.484 174.884 174.900 -0.833 0.000 1.004 2067 G CA 0.779 44.983 45.100 -1.493 0.000 0.648 2067 G HN 0.546 nan 8.290 nan 0.000 0.491 2068 R N 1.657 121.807 120.500 -0.582 0.000 2.211 2068 R HA 0.090 4.430 4.340 0.001 0.000 0.240 2068 R C 2.113 178.274 176.300 -0.233 0.000 1.144 2068 R CA 2.262 58.191 56.100 -0.285 0.000 0.992 2068 R CB -0.643 29.554 30.300 -0.171 0.000 0.869 2068 R HN 0.600 nan 8.270 nan 0.000 0.462 2069 G N -2.097 106.484 108.800 -0.365 0.000 3.609 2069 G HA2 0.040 4.000 3.960 0.001 0.000 0.280 2069 G HA3 0.040 4.000 3.960 0.001 0.000 0.280 2069 G C 0.707 175.510 174.900 -0.161 0.000 1.155 2069 G CA -0.219 44.764 45.100 -0.195 0.000 0.876 2069 G HN 0.312 nan 8.290 nan 0.000 0.535 2070 c N -0.297 118.174 118.600 -0.214 0.000 2.450 2070 c HA 0.093 4.663 4.570 0.001 0.000 0.279 2070 c C 2.966 177.180 174.090 0.207 0.000 1.335 2070 c CA 1.213 57.501 56.329 -0.068 0.000 1.749 2070 c CB -0.480 41.912 42.510 -0.196 0.000 1.963 2070 c HN 0.519 nan 8.230 nan 0.000 0.501 2071 G N -0.295 108.625 108.800 0.199 0.000 2.623 2071 G HA2 -0.008 3.953 3.960 0.001 0.000 0.214 2071 G HA3 -0.008 3.953 3.960 0.001 0.000 0.214 2071 G C 0.719 175.752 174.900 0.222 0.000 1.138 2071 G CA 0.226 45.513 45.100 0.312 0.000 0.794 2071 G HN 0.484 nan 8.290 nan 0.000 0.535 2072 S N -0.369 115.383 115.700 0.087 0.000 2.952 2072 S HA -0.017 4.453 4.470 0.001 0.000 0.351 2072 S C 0.147 174.701 174.600 -0.076 0.000 1.211 2072 S CA 0.118 58.284 58.200 -0.056 0.000 1.002 2072 S CB -0.123 63.139 63.200 0.103 0.000 0.702 2072 S HN 0.342 nan 8.310 nan 0.000 0.495 2073 c N 4.589 122.959 118.600 -0.384 0.000 2.455 2073 c HA 0.789 5.360 4.570 0.001 0.000 0.320 2073 c C -0.477 173.269 174.090 -0.573 0.000 1.226 2073 c CA -0.693 55.420 56.329 -0.360 0.000 1.569 2073 c CB 0.248 42.507 42.510 -0.419 0.000 2.200 2073 c HN 0.788 nan 8.230 nan 0.000 0.491 2074 F N 1.080 120.980 119.950 -0.084 0.000 2.576 2074 F HA 0.446 4.973 4.527 0.000 0.000 0.313 2074 F C 0.284 176.048 175.800 -0.061 0.000 1.078 2074 F CA -0.685 57.301 58.000 -0.023 0.000 0.921 2074 F CB 1.174 40.253 39.000 0.131 0.000 1.232 2074 F HN 0.466 nan 8.300 nan 0.000 0.459 2075 E N 3.178 123.462 120.200 0.140 0.000 2.249 2075 E HA 0.579 4.929 4.350 0.001 0.000 0.280 2075 E C -0.963 175.790 176.600 0.256 0.000 1.016 2075 E CA -0.591 55.888 56.400 0.132 0.000 0.830 2075 E CB 2.041 31.806 29.700 0.109 0.000 1.081 2075 E HN 0.565 nan 8.360 nan 0.000 0.395 2076 I N 0.037 120.697 120.570 0.150 0.000 2.534 2076 I HA 0.483 4.654 4.170 0.001 0.000 0.288 2076 I C -0.793 175.316 176.117 -0.014 0.000 1.077 2076 I CA -0.983 60.358 61.300 0.068 0.000 1.051 2076 I CB 1.577 39.458 38.000 -0.199 0.000 1.234 2076 I HN 0.365 nan 8.210 nan 0.000 0.425 2077 K N 5.080 125.431 120.400 -0.081 0.000 2.346 2077 K HA 0.894 5.214 4.320 0.001 0.000 0.238 2077 K C -1.341 175.125 176.600 -0.224 0.000 1.039 2077 K CA -0.750 55.408 56.287 -0.215 0.000 0.861 2077 K CB 2.294 34.542 32.500 -0.419 0.000 1.278 2077 K HN 0.778 nan 8.250 nan 0.000 0.460 2078 c N 0.878 119.345 118.600 -0.222 0.000 3.090 2078 c HA 0.550 5.120 4.570 0.001 0.000 0.347 2078 c C 0.338 174.327 174.090 -0.169 0.000 1.147 2078 c CA 0.362 56.575 56.329 -0.194 0.000 1.305 2078 c CB 1.058 43.440 42.510 -0.214 0.000 1.692 2078 c HN 1.047 nan 8.230 nan 0.000 0.506 2079 T N 0.947 115.417 114.554 -0.140 0.000 3.041 2079 T HA 0.193 4.543 4.350 0.001 0.000 0.276 2079 T C 1.189 175.840 174.700 -0.080 0.000 0.948 2079 T CA 0.372 62.404 62.100 -0.114 0.000 0.885 2079 T CB -0.106 68.690 68.868 -0.120 0.000 1.175 2079 T HN 0.853 nan 8.240 nan 0.000 0.529 2080 K N 2.559 122.915 120.400 -0.073 0.000 1.992 2080 K HA 0.037 4.357 4.320 0.001 0.000 0.227 2080 K C -1.418 175.163 176.600 -0.032 0.000 1.016 2080 K CA 0.850 57.111 56.287 -0.044 0.000 1.059 2080 K CB -1.096 31.384 32.500 -0.032 0.000 0.752 2080 K HN 0.334 nan 8.250 nan 0.000 0.449 2081 P HA -0.012 nan 4.420 nan 0.000 0.272 2081 P C -0.246 177.042 177.300 -0.021 0.000 1.230 2081 P CA 0.178 63.274 63.100 -0.007 0.000 0.788 2081 P CB 1.209 32.921 31.700 0.019 0.000 0.949 2082 E N 2.627 122.819 120.200 -0.013 0.000 2.136 2082 E HA -0.253 4.098 4.350 0.001 0.000 0.202 2082 E C 1.896 178.481 176.600 -0.026 0.000 1.019 2082 E CA 2.381 58.769 56.400 -0.019 0.000 0.819 2082 E CB -1.124 28.570 29.700 -0.010 0.000 0.739 2082 E HN 0.523 nan 8.360 nan 0.000 0.458 2083 A N -0.306 122.502 122.820 -0.019 0.000 2.070 2083 A HA -0.109 4.211 4.320 0.001 0.000 0.220 2083 A C 1.267 178.821 177.584 -0.050 0.000 1.159 2083 A CA 0.873 52.894 52.037 -0.026 0.000 0.656 2083 A CB -0.744 18.250 19.000 -0.009 0.000 0.800 2083 A HN 0.376 nan 8.150 nan 0.000 0.453 2084 c N 1.372 119.933 118.600 -0.065 0.000 2.648 2084 c HA 0.243 4.813 4.570 0.001 0.000 0.415 2084 c C 2.360 176.396 174.090 -0.090 0.000 1.366 2084 c CA 0.385 56.656 56.329 -0.097 0.000 1.756 2084 c CB -0.222 42.220 42.510 -0.113 0.000 2.549 2084 c HN 0.719 nan 8.230 nan 0.000 0.597 2085 S N 2.408 118.049 115.700 -0.098 0.000 2.428 2085 S HA 0.063 4.533 4.470 0.001 0.000 0.230 2085 S C 1.638 176.180 174.600 -0.097 0.000 1.014 2085 S CA 1.071 59.219 58.200 -0.087 0.000 0.957 2085 S CB -0.350 62.800 63.200 -0.082 0.000 0.784 2085 S HN 1.867 nan 8.310 nan 0.000 0.499 2086 G N 0.622 109.347 108.800 -0.125 0.000 2.179 2086 G HA2 -0.201 3.759 3.960 0.001 0.000 0.260 2086 G HA3 -0.201 3.759 3.960 0.001 0.000 0.260 2086 G C -0.223 174.583 174.900 -0.157 0.000 0.977 2086 G CA 0.320 45.330 45.100 -0.150 0.000 0.641 2086 G HN 0.564 nan 8.290 nan 0.000 0.533 2087 E N 1.202 121.327 120.200 -0.125 0.000 2.204 2087 E HA 0.479 4.829 4.350 0.001 0.000 0.276 2087 E C -2.351 174.192 176.600 -0.095 0.000 0.974 2087 E CA -1.838 54.504 56.400 -0.096 0.000 0.815 2087 E CB 2.207 31.866 29.700 -0.067 0.000 1.119 2087 E HN 0.290 nan 8.360 nan 0.000 0.393 2088 P HA 0.294 nan 4.420 nan 0.000 0.286 2088 P C -0.572 176.730 177.300 0.004 0.000 1.261 2088 P CA -0.481 62.626 63.100 0.012 0.000 0.821 2088 P CB 1.301 33.103 31.700 0.169 0.000 1.013 2089 V N 2.585 122.494 119.914 -0.008 0.000 2.789 2089 V HA 0.237 4.357 4.120 0.001 0.000 0.311 2089 V C 0.098 176.181 176.094 -0.019 0.000 1.073 2089 V CA -0.903 61.380 62.300 -0.028 0.000 0.921 2089 V CB 2.576 34.356 31.823 -0.072 0.000 1.009 2089 V HN 0.268 nan 8.190 nan 0.000 0.426 2090 V N 4.586 124.485 119.914 -0.025 0.000 2.465 2090 V HA 0.477 4.597 4.120 0.001 0.000 0.279 2090 V C -0.071 175.993 176.094 -0.050 0.000 1.045 2090 V CA -0.249 62.017 62.300 -0.057 0.000 0.938 2090 V CB 1.597 33.351 31.823 -0.116 0.000 0.986 2090 V HN 0.595 nan 8.190 nan 0.000 0.467 2091 V N 4.324 124.214 119.914 -0.040 0.000 2.715 2091 V HA 0.481 4.601 4.120 0.001 0.000 0.310 2091 V C -0.790 175.301 176.094 -0.005 0.000 1.054 2091 V CA -0.843 61.483 62.300 0.043 0.000 0.928 2091 V CB 2.108 33.978 31.823 0.078 0.000 1.007 2091 V HN 0.936 nan 8.190 nan 0.000 0.437 2092 H N 3.287 122.415 119.070 0.098 0.000 2.459 2092 H HA 0.499 5.055 4.556 0.001 0.000 0.332 2092 H C -0.300 175.055 175.328 0.044 0.000 1.094 2092 H CA -0.726 55.351 56.048 0.047 0.000 1.224 2092 H CB 1.124 30.804 29.762 -0.136 0.000 1.449 2092 H HN 0.337 nan 8.280 nan 0.000 0.484 2093 I N 3.226 123.947 120.570 0.252 0.000 2.452 2093 I HA -0.000 4.170 4.170 0.001 0.000 0.287 2093 I C 1.164 177.389 176.117 0.180 0.000 1.079 2093 I CA 0.320 61.761 61.300 0.234 0.000 1.387 2093 I CB 0.617 38.785 38.000 0.281 0.000 1.404 2093 I HN 0.826 nan 8.210 nan 0.000 0.522 2094 T N 0.447 115.090 114.554 0.148 0.000 3.040 2094 T HA 0.266 4.617 4.350 0.001 0.000 0.266 2094 T C 0.193 174.961 174.700 0.114 0.000 1.005 2094 T CA -0.272 61.914 62.100 0.143 0.000 0.906 2094 T CB 0.493 69.433 68.868 0.120 0.000 1.082 2094 T HN 0.510 nan 8.240 nan 0.000 0.531 2095 D N -0.145 120.347 120.400 0.154 0.000 2.768 2095 D HA 0.403 5.043 4.640 0.001 0.000 0.327 2095 D C -2.178 174.056 176.300 -0.109 0.000 1.302 2095 D CA -0.469 53.565 54.000 0.056 0.000 0.897 2095 D CB 1.878 42.682 40.800 0.006 0.000 1.420 2095 D HN -0.005 nan 8.370 nan 0.000 0.494 2096 D N -0.022 120.091 120.400 -0.478 0.000 2.256 2096 D HA 0.253 4.893 4.640 0.001 0.000 0.240 2096 D C -0.813 175.295 176.300 -0.320 0.000 1.062 2096 D CA -0.293 53.255 54.000 -0.752 0.000 0.832 2096 D CB 0.572 40.719 40.800 -1.088 0.000 1.135 2096 D HN 0.313 nan 8.370 nan 0.000 0.484 2097 N N 3.314 121.873 118.700 -0.235 0.000 2.719 2097 N HA 0.045 4.785 4.740 0.001 0.000 0.243 2097 N C 0.432 175.857 175.510 -0.142 0.000 1.104 2097 N CA -0.156 52.784 53.050 -0.182 0.000 0.981 2097 N CB 0.472 38.814 38.487 -0.243 0.000 1.290 2097 N HN 0.398 nan 8.380 nan 0.000 0.513 2098 E N 1.114 121.242 120.200 -0.121 0.000 2.268 2098 E HA -0.093 4.258 4.350 0.001 0.000 0.195 2098 E C -0.248 176.322 176.600 -0.050 0.000 0.995 2098 E CA 0.807 57.161 56.400 -0.078 0.000 0.836 2098 E CB 0.260 29.910 29.700 -0.083 0.000 0.763 2098 E HN 0.567 nan 8.360 nan 0.000 0.491 2099 E N 1.446 121.615 120.200 -0.052 0.000 3.170 2099 E HA 0.169 4.520 4.350 0.001 0.000 0.212 2099 E C -2.334 174.296 176.600 0.051 0.000 1.143 2099 E CA -1.714 54.682 56.400 -0.007 0.000 1.139 2099 E CB 0.683 30.381 29.700 -0.003 0.000 1.346 2099 E HN 0.205 nan 8.360 nan 0.000 0.432 2100 P HA 0.166 nan 4.420 nan 0.000 0.272 2100 P C 0.805 178.237 177.300 0.221 0.000 1.223 2100 P CA -0.174 63.064 63.100 0.231 0.000 0.784 2100 P CB 1.092 32.863 31.700 0.118 0.000 0.923 2101 I N -2.548 118.161 120.570 0.232 0.000 4.102 2101 I HA 0.667 4.837 4.170 0.001 0.000 0.325 2101 I C 0.015 176.115 176.117 -0.029 0.000 1.471 2101 I CA -0.539 60.779 61.300 0.029 0.000 1.133 2101 I CB 0.527 38.492 38.000 -0.058 0.000 1.184 2101 I HN 0.252 nan 8.210 nan 0.000 0.451 2102 A N 0.926 123.748 122.820 0.003 0.000 2.586 2102 A HA 0.648 4.968 4.320 0.001 0.000 0.290 2102 A C -2.393 175.189 177.584 -0.002 0.000 1.086 2102 A CA -0.754 51.279 52.037 -0.007 0.000 0.665 2102 A CB 0.279 19.271 19.000 -0.014 0.000 1.279 2102 A HN -0.052 nan 8.150 nan 0.000 0.423 2103 P HA -0.120 nan 4.420 nan 0.000 0.216 2103 P C -0.320 176.844 177.300 -0.227 0.000 1.157 2103 P CA 1.670 64.642 63.100 -0.212 0.000 0.880 2103 P CB -0.089 31.409 31.700 -0.337 0.000 0.791 2104 Y N -2.416 117.938 120.300 0.091 0.000 2.341 2104 Y HA 0.416 4.967 4.550 0.001 0.000 0.338 2104 Y C 0.347 176.279 175.900 0.053 0.000 0.965 2104 Y CA -0.909 57.212 58.100 0.035 0.000 1.108 2104 Y CB 1.466 40.004 38.460 0.130 0.000 1.180 2104 Y HN -0.078 nan 8.280 nan 0.000 0.458 2105 H N 4.046 123.108 119.070 -0.013 0.000 2.924 2105 H HA 0.381 4.938 4.556 0.001 0.000 0.333 2105 H C -1.808 173.440 175.328 -0.133 0.000 0.979 2105 H CA -0.922 55.122 56.048 -0.007 0.000 1.326 2105 H CB 0.905 30.673 29.762 0.010 0.000 1.600 2105 H HN 0.581 nan 8.280 nan 0.000 0.520 2106 F N 3.206 123.255 119.950 0.165 0.000 2.410 2106 F HA 0.128 4.655 4.527 0.000 0.000 0.349 2106 F C 0.233 176.063 175.800 0.049 0.000 1.117 2106 F CA -0.465 57.514 58.000 -0.036 0.000 1.104 2106 F CB 1.280 40.200 39.000 -0.133 0.000 1.122 2106 F HN 0.571 nan 8.300 nan 0.000 0.483 2107 D N 5.001 125.434 120.400 0.056 0.000 2.477 2107 D HA 0.345 4.985 4.640 0.001 0.000 0.239 2107 D C -0.473 175.718 176.300 -0.181 0.000 1.102 2107 D CA -0.132 53.869 54.000 0.001 0.000 0.901 2107 D CB 0.370 41.182 40.800 0.020 0.000 1.026 2107 D HN 0.315 nan 8.370 nan 0.000 0.515 2108 L N 1.074 122.257 121.223 -0.067 0.000 2.468 2108 L HA 0.379 4.719 4.340 0.001 0.000 0.254 2108 L C 1.270 177.881 176.870 -0.433 0.000 1.171 2108 L CA -0.783 53.983 54.840 -0.124 0.000 0.809 2108 L CB 0.719 42.848 42.059 0.116 0.000 1.155 2108 L HN 0.310 nan 8.230 nan 0.000 0.473 2109 S N -0.497 115.073 115.700 -0.217 0.000 2.645 2109 S HA 0.256 4.726 4.470 0.001 0.000 0.266 2109 S C 1.089 175.745 174.600 0.093 0.000 1.258 2109 S CA -0.275 57.898 58.200 -0.045 0.000 0.990 2109 S CB 1.312 64.620 63.200 0.180 0.000 0.967 2109 S HN 0.765 nan 8.310 nan 0.000 0.556 2110 G N -0.084 108.819 108.800 0.172 0.000 2.440 2110 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 2110 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 2110 G C 1.425 176.241 174.900 -0.139 0.000 1.154 2110 G CA 1.042 46.034 45.100 -0.179 0.000 0.767 2110 G HN 0.972 nan 8.290 nan 0.000 0.552 2111 H N 0.893 119.929 119.070 -0.056 0.000 2.321 2111 H HA -0.035 4.521 4.556 0.001 0.000 0.300 2111 H C 2.817 178.134 175.328 -0.019 0.000 1.087 2111 H CA 1.358 57.386 56.048 -0.034 0.000 1.319 2111 H CB 0.001 29.776 29.762 0.021 0.000 1.379 2111 H HN 0.323 nan 8.280 nan 0.000 0.501 2112 A N 0.822 123.604 122.820 -0.063 0.000 1.877 2112 A HA -0.181 4.140 4.320 0.001 0.000 0.216 2112 A C 2.375 179.896 177.584 -0.104 0.000 1.186 2112 A CA 1.347 53.316 52.037 -0.114 0.000 0.620 2112 A CB -1.301 17.702 19.000 0.006 0.000 0.822 2112 A HN 0.539 nan 8.150 nan 0.000 0.443 2113 F N 0.956 120.781 119.950 -0.209 0.000 2.043 2113 F HA -0.145 4.383 4.527 0.001 0.000 0.297 2113 F C 2.430 178.072 175.800 -0.263 0.000 1.121 2113 F CA 2.083 59.948 58.000 -0.225 0.000 1.199 2113 F CB -0.673 38.137 39.000 -0.318 0.000 0.968 2113 F HN 0.234 nan 8.300 nan 0.000 0.478 2114 G N -0.663 108.126 108.800 -0.019 0.000 2.462 2114 G HA2 -0.228 3.732 3.960 0.001 0.000 0.220 2114 G HA3 -0.228 3.732 3.960 0.001 0.000 0.220 2114 G C 1.661 176.468 174.900 -0.156 0.000 1.121 2114 G CA 0.614 45.658 45.100 -0.093 0.000 0.758 2114 G HN 0.639 nan 8.290 nan 0.000 0.559 2115 A N 0.315 123.000 122.820 -0.224 0.000 2.225 2115 A HA 0.132 4.453 4.320 0.001 0.000 0.215 2115 A C 2.204 179.681 177.584 -0.178 0.000 1.164 2115 A CA 1.177 53.074 52.037 -0.233 0.000 0.710 2115 A CB -0.311 18.500 19.000 -0.316 0.000 0.780 2115 A HN 0.441 nan 8.150 nan 0.000 0.473 2116 M N -0.593 118.886 119.600 -0.201 0.000 2.495 2116 M HA 0.208 4.688 4.480 0.001 0.000 0.237 2116 M C 0.987 177.192 176.300 -0.158 0.000 1.131 2116 M CA 0.107 55.291 55.300 -0.194 0.000 1.032 2116 M CB -0.067 32.372 32.600 -0.268 0.000 1.513 2116 M HN 0.415 nan 8.290 nan 0.000 0.488 2117 A N 1.127 123.868 122.820 -0.132 0.000 2.246 2117 A HA 0.437 4.757 4.320 0.001 0.000 0.291 2117 A C -0.018 177.523 177.584 -0.073 0.000 1.103 2117 A CA -0.541 51.440 52.037 -0.094 0.000 0.844 2117 A CB 0.548 19.505 19.000 -0.071 0.000 1.136 2117 A HN 0.280 nan 8.150 nan 0.000 0.500 2118 K N 0.828 121.194 120.400 -0.056 0.000 2.295 2118 K HA 0.158 4.479 4.320 0.001 0.000 0.270 2118 K C -0.539 176.040 176.600 -0.035 0.000 1.011 2118 K CA -0.154 56.106 56.287 -0.045 0.000 0.953 2118 K CB 0.510 32.988 32.500 -0.037 0.000 0.956 2118 K HN 0.534 nan 8.250 nan 0.000 0.477 2119 K N 1.140 121.522 120.400 -0.030 0.000 2.438 2119 K HA -0.177 4.144 4.320 0.001 0.000 0.270 2119 K C 0.936 177.526 176.600 -0.016 0.000 1.095 2119 K CA 1.010 57.285 56.287 -0.021 0.000 1.174 2119 K CB -0.396 32.095 32.500 -0.016 0.000 0.830 2119 K HN 0.972 nan 8.250 nan 0.000 0.487 2120 G N 2.983 111.775 108.800 -0.014 0.000 2.175 2120 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 2120 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 2120 G C 0.160 175.053 174.900 -0.011 0.000 0.982 2120 G CA 0.148 45.242 45.100 -0.009 0.000 0.641 2120 G HN 0.684 nan 8.290 nan 0.000 0.527 2121 D N 0.256 120.645 120.400 -0.018 0.000 2.395 2121 D HA 0.313 4.953 4.640 0.001 0.000 0.213 2121 D C 1.843 178.130 176.300 -0.022 0.000 1.110 2121 D CA 0.240 54.230 54.000 -0.017 0.000 0.835 2121 D CB 0.142 40.931 40.800 -0.019 0.000 0.965 2121 D HN 0.468 nan 8.370 nan 0.000 0.505 2122 E N 0.542 120.724 120.200 -0.031 0.000 2.233 2122 E HA -0.234 4.117 4.350 0.001 0.000 0.199 2122 E C 1.781 178.350 176.600 -0.053 0.000 1.004 2122 E CA 1.030 57.402 56.400 -0.047 0.000 0.819 2122 E CB 0.001 29.675 29.700 -0.044 0.000 0.738 2122 E HN 0.363 nan 8.360 nan 0.000 0.478 2123 Q N 0.277 120.056 119.800 -0.035 0.000 2.204 2123 Q HA -0.054 4.287 4.340 0.001 0.000 0.198 2123 Q C 2.075 178.074 176.000 -0.002 0.000 0.946 2123 Q CA 0.703 56.484 55.803 -0.036 0.000 0.859 2123 Q CB 0.104 28.832 28.738 -0.015 0.000 0.946 2123 Q HN 0.131 nan 8.270 nan 0.000 0.474 2124 K N 0.315 120.721 120.400 0.010 0.000 2.063 2124 K HA -0.201 4.120 4.320 0.001 0.000 0.208 2124 K C 2.066 178.699 176.600 0.054 0.000 1.048 2124 K CA 1.284 57.589 56.287 0.029 0.000 0.928 2124 K CB -0.111 32.400 32.500 0.018 0.000 0.713 2124 K HN 0.212 nan 8.250 nan 0.000 0.442 2125 L N 1.503 122.758 121.223 0.053 0.000 2.072 2125 L HA -0.061 4.279 4.340 0.001 0.000 0.205 2125 L C 2.293 179.314 176.870 0.252 0.000 1.079 2125 L CA 1.554 56.463 54.840 0.116 0.000 0.752 2125 L CB -0.564 41.525 42.059 0.050 0.000 0.906 2125 L HN 0.100 nan 8.230 nan 0.000 0.436 2126 R N -0.631 119.935 120.500 0.109 0.000 2.249 2126 R HA -0.124 4.216 4.340 0.001 0.000 0.230 2126 R C 2.077 178.451 176.300 0.125 0.000 1.121 2126 R CA 1.178 57.190 56.100 -0.147 0.000 0.997 2126 R CB -0.170 29.803 30.300 -0.545 0.000 0.867 2126 R HN 0.679 nan 8.270 nan 0.000 0.465 2127 S N -1.407 114.390 115.700 0.161 0.000 2.593 2127 S HA 0.101 4.571 4.470 0.001 0.000 0.217 2127 S C 1.684 176.393 174.600 0.180 0.000 0.966 2127 S CA 0.373 58.683 58.200 0.182 0.000 0.914 2127 S CB 0.703 63.972 63.200 0.114 0.000 0.776 2127 S HN 0.329 nan 8.310 nan 0.000 0.523 2128 A N 1.001 123.960 122.820 0.232 0.000 2.167 2128 A HA 0.483 4.803 4.320 0.001 0.000 0.214 2128 A C 2.066 179.777 177.584 0.212 0.000 1.151 2128 A CA 1.017 53.186 52.037 0.220 0.000 0.735 2128 A CB -1.382 17.778 19.000 0.268 0.000 0.802 2128 A HN 1.338 nan 8.150 nan 0.000 0.467 2129 G N -0.540 108.386 108.800 0.209 0.000 5.266 2129 G HA2 -0.326 3.635 3.960 0.001 0.000 0.262 2129 G HA3 -0.326 3.635 3.960 0.001 0.000 0.262 2129 G C 0.190 175.168 174.900 0.129 0.000 1.359 2129 G CA 0.709 45.848 45.100 0.066 0.000 0.955 2129 G HN 0.658 nan 8.290 nan 0.000 0.754 2130 E N 0.617 120.937 120.200 0.200 0.000 2.312 2130 E HA 0.763 5.113 4.350 0.001 0.000 0.267 2130 E C 0.015 176.767 176.600 0.253 0.000 0.894 2130 E CA -0.360 56.181 56.400 0.236 0.000 0.773 2130 E CB 2.401 32.161 29.700 0.099 0.000 1.241 2130 E HN 0.954 nan 8.360 nan 0.000 0.432 2131 L N -1.771 119.581 121.223 0.215 0.000 2.765 2131 L HA 0.671 5.011 4.340 0.001 0.000 0.263 2131 L C -1.432 175.468 176.870 0.051 0.000 1.068 2131 L CA -1.047 53.857 54.840 0.106 0.000 0.903 2131 L CB 2.059 44.156 42.059 0.062 0.000 1.512 2131 L HN 0.317 nan 8.230 nan 0.000 0.404 2132 E N 1.681 121.890 120.200 0.015 0.000 2.133 2132 E HA 0.661 5.011 4.350 0.001 0.000 0.274 2132 E C -1.105 175.489 176.600 -0.012 0.000 0.930 2132 E CA -0.337 56.076 56.400 0.020 0.000 0.770 2132 E CB 1.612 31.325 29.700 0.022 0.000 1.104 2132 E HN 0.565 nan 8.360 nan 0.000 0.403 2133 L N 0.440 121.671 121.223 0.014 0.000 2.283 2133 L HA 0.651 4.991 4.340 0.001 0.000 0.259 2133 L C -0.584 176.343 176.870 0.096 0.000 1.027 2133 L CA -0.818 54.010 54.840 -0.021 0.000 0.828 2133 L CB 1.329 43.322 42.059 -0.110 0.000 1.380 2133 L HN 0.313 nan 8.230 nan 0.000 0.425 2134 Q N 0.708 120.551 119.800 0.072 0.000 2.345 2134 Q HA 0.754 5.094 4.340 0.001 0.000 0.268 2134 Q C -1.563 174.714 176.000 0.461 0.000 1.054 2134 Q CA -0.534 55.399 55.803 0.216 0.000 0.835 2134 Q CB 2.690 31.411 28.738 -0.029 0.000 1.339 2134 Q HN 0.681 nan 8.270 nan 0.000 0.447 2135 F N -0.975 119.200 119.950 0.375 0.000 2.662 2135 F HA 0.813 5.341 4.527 0.001 0.000 0.312 2135 F C -1.549 174.352 175.800 0.167 0.000 1.113 2135 F CA -1.297 56.880 58.000 0.295 0.000 0.951 2135 F CB 1.408 40.398 39.000 -0.016 0.000 1.344 2135 F HN 0.528 nan 8.300 nan 0.000 0.462 2136 R N 0.774 121.281 120.500 0.012 0.000 2.579 2136 R HA 0.477 4.818 4.340 0.001 0.000 0.260 2136 R C -1.649 174.647 176.300 -0.007 0.000 1.103 2136 R CA -0.992 54.954 56.100 -0.257 0.000 0.942 2136 R CB 1.517 31.331 30.300 -0.810 0.000 1.251 2136 R HN 0.975 nan 8.270 nan 0.000 0.450 2137 R N 1.920 122.397 120.500 -0.037 0.000 2.543 2137 R HA 0.469 4.810 4.340 0.001 0.000 0.277 2137 R C -0.362 175.701 176.300 -0.396 0.000 1.074 2137 R CA -0.101 55.733 56.100 -0.443 0.000 1.076 2137 R CB 0.887 30.766 30.300 -0.701 0.000 0.993 2137 R HN 0.655 nan 8.270 nan 0.000 0.459 2138 V N -0.027 119.623 119.914 -0.441 0.000 3.114 2138 V HA 0.438 4.559 4.120 0.001 0.000 0.308 2138 V C -0.783 175.128 176.094 -0.305 0.000 1.168 2138 V CA -1.305 60.813 62.300 -0.303 0.000 1.015 2138 V CB 1.742 33.428 31.823 -0.228 0.000 1.050 2138 V HN 0.807 nan 8.190 nan 0.000 0.433 2139 K N 1.197 121.468 120.400 -0.214 0.000 2.448 2139 K HA 0.286 4.606 4.320 0.001 0.000 0.278 2139 K C -0.137 176.326 176.600 -0.227 0.000 1.009 2139 K CA -0.253 55.923 56.287 -0.185 0.000 0.995 2139 K CB 0.377 32.808 32.500 -0.115 0.000 0.917 2139 K HN 0.945 nan 8.250 nan 0.000 0.481 2140 c N 3.299 121.736 118.600 -0.272 0.000 2.700 2140 c HA 0.137 4.707 4.570 0.001 0.000 0.397 2140 c C 0.519 174.371 174.090 -0.398 0.000 1.301 2140 c CA -0.187 55.893 56.329 -0.415 0.000 2.219 2140 c CB -0.120 42.019 42.510 -0.619 0.000 2.699 2140 c HN 0.737 nan 8.230 nan 0.000 0.669 2141 K N 2.059 122.226 120.400 -0.388 0.000 2.621 2141 K HA 0.372 4.692 4.320 0.001 0.000 0.233 2141 K C -1.590 174.911 176.600 -0.166 0.000 0.972 2141 K CA -0.199 55.956 56.287 -0.220 0.000 0.988 2141 K CB 0.466 32.902 32.500 -0.107 0.000 1.187 2141 K HN 0.751 nan 8.250 nan 0.000 0.471 2142 Y N 3.266 123.595 120.300 0.048 0.000 2.320 2142 Y HA 0.289 4.839 4.550 0.001 0.000 0.324 2142 Y C -1.502 174.375 175.900 -0.038 0.000 1.190 2142 Y CA -2.082 56.015 58.100 -0.005 0.000 1.215 2142 Y CB 0.652 39.072 38.460 -0.066 0.000 1.221 2142 Y HN 0.486 nan 8.280 nan 0.000 0.486 2143 P HA -0.029 nan 4.420 nan 0.000 0.271 2143 P C -0.583 176.724 177.300 0.011 0.000 1.216 2143 P CA -0.320 62.797 63.100 0.029 0.000 0.771 2143 P CB 0.817 32.511 31.700 -0.009 0.000 0.864 2144 E N 2.014 122.220 120.200 0.011 0.000 2.467 2144 E HA -0.001 4.349 4.350 0.001 0.000 0.264 2144 E C 0.976 177.563 176.600 -0.022 0.000 1.020 2144 E CA 0.667 57.069 56.400 0.004 0.000 0.945 2144 E CB -0.577 29.126 29.700 0.005 0.000 0.942 2144 E HN 0.837 nan 8.360 nan 0.000 0.449 2145 G N 2.345 111.131 108.800 -0.023 0.000 2.213 2145 G HA2 -0.252 3.709 3.960 0.001 0.000 0.236 2145 G HA3 -0.252 3.709 3.960 0.001 0.000 0.236 2145 G C 0.275 175.130 174.900 -0.075 0.000 0.991 2145 G CA 0.284 45.361 45.100 -0.039 0.000 0.629 2145 G HN 0.730 nan 8.290 nan 0.000 0.517 2146 T N 1.754 116.245 114.554 -0.104 0.000 2.794 2146 T HA 0.548 4.898 4.350 0.001 0.000 0.296 2146 T C 0.122 174.736 174.700 -0.143 0.000 0.949 2146 T CA 0.454 62.428 62.100 -0.210 0.000 1.101 2146 T CB 1.233 69.916 68.868 -0.308 0.000 0.905 2146 T HN 0.302 nan 8.240 nan 0.000 0.516 2147 K N 1.818 122.142 120.400 -0.127 0.000 2.259 2147 K HA 0.489 4.809 4.320 0.001 0.000 0.252 2147 K C -0.589 175.992 176.600 -0.032 0.000 0.936 2147 K CA -0.781 55.482 56.287 -0.040 0.000 0.810 2147 K CB 1.912 34.421 32.500 0.014 0.000 1.143 2147 K HN 0.403 nan 8.250 nan 0.000 0.427 2148 V N 3.309 123.194 119.914 -0.048 0.000 2.486 2148 V HA 0.018 4.138 4.120 0.001 0.000 0.290 2148 V C -0.781 175.131 176.094 -0.302 0.000 0.991 2148 V CA 0.887 63.064 62.300 -0.205 0.000 1.142 2148 V CB -0.370 31.306 31.823 -0.245 0.000 0.926 2148 V HN 0.704 nan 8.190 nan 0.000 0.472 2149 T N 9.013 123.374 114.554 -0.322 0.000 2.795 2149 T HA 0.568 4.919 4.350 0.001 0.000 0.282 2149 T C -0.638 173.827 174.700 -0.391 0.000 0.980 2149 T CA 0.095 62.070 62.100 -0.208 0.000 1.012 2149 T CB 0.770 69.622 68.868 -0.026 0.000 0.936 2149 T HN 0.488 nan 8.240 nan 0.000 0.457 2150 F N 2.471 122.450 119.950 0.048 0.000 2.361 2150 F HA 0.336 4.864 4.527 0.001 0.000 0.364 2150 F C 0.491 176.385 175.800 0.158 0.000 1.117 2150 F CA -1.030 57.005 58.000 0.058 0.000 1.071 2150 F CB 0.650 39.673 39.000 0.039 0.000 1.188 2150 F HN 0.572 nan 8.300 nan 0.000 0.464 2151 H N 2.596 121.770 119.070 0.173 0.000 2.519 2151 H HA 0.532 5.088 4.556 0.001 0.000 0.316 2151 H C -1.003 174.421 175.328 0.160 0.000 1.065 2151 H CA -0.646 55.495 56.048 0.155 0.000 1.264 2151 H CB 1.127 30.942 29.762 0.089 0.000 1.413 2151 H HN 0.396 nan 8.280 nan 0.000 0.465 2152 V N 5.642 125.399 119.914 -0.262 0.000 2.370 2152 V HA 0.037 4.157 4.120 0.001 0.000 0.257 2152 V C 0.618 176.526 176.094 -0.310 0.000 1.064 2152 V CA -0.469 61.719 62.300 -0.186 0.000 0.975 2152 V CB -0.007 31.817 31.823 0.001 0.000 1.067 2152 V HN 0.793 nan 8.190 nan 0.000 0.485 2153 E N 5.230 125.374 120.200 -0.094 0.000 2.436 2153 E HA 0.059 4.409 4.350 0.001 0.000 0.262 2153 E C 0.554 177.214 176.600 0.099 0.000 1.063 2153 E CA -0.132 56.308 56.400 0.065 0.000 0.944 2153 E CB 0.487 30.268 29.700 0.135 0.000 0.950 2153 E HN 0.641 nan 8.360 nan 0.000 0.444 2154 K N 1.644 122.132 120.400 0.147 0.000 2.276 2154 K HA 0.297 4.617 4.320 0.001 0.000 0.259 2154 K C 0.852 177.559 176.600 0.178 0.000 1.001 2154 K CA 0.234 56.613 56.287 0.152 0.000 0.927 2154 K CB 0.427 33.009 32.500 0.137 0.000 0.969 2154 K HN 0.697 nan 8.250 nan 0.000 0.490 2155 G N 0.376 109.283 108.800 0.178 0.000 2.176 2155 G HA2 -0.245 3.715 3.960 0.001 0.000 0.232 2155 G HA3 -0.245 3.715 3.960 0.001 0.000 0.232 2155 G C -0.324 174.768 174.900 0.321 0.000 0.986 2155 G CA 0.183 45.399 45.100 0.192 0.000 0.643 2155 G HN 0.635 nan 8.290 nan 0.000 0.522 2156 S N 1.340 117.240 115.700 0.334 0.000 2.499 2156 S HA 0.565 5.036 4.470 0.001 0.000 0.275 2156 S C 0.401 175.242 174.600 0.403 0.000 1.257 2156 S CA 0.236 58.681 58.200 0.409 0.000 1.050 2156 S CB 1.180 64.580 63.200 0.333 0.000 0.937 2156 S HN 0.954 nan 8.310 nan 0.000 0.490 2157 N N 2.417 121.359 118.700 0.404 0.000 2.966 2157 N HA 0.533 5.274 4.740 0.001 0.000 0.314 2157 N C -2.845 172.849 175.510 0.307 0.000 1.397 2157 N CA -1.972 51.227 53.050 0.248 0.000 0.776 2157 N CB 0.042 38.630 38.487 0.168 0.000 1.576 2157 N HN 0.139 nan 8.380 nan 0.000 0.592 2158 P HA 0.087 nan 4.420 nan 0.000 0.252 2158 P C -0.656 176.785 177.300 0.235 0.000 1.265 2158 P CA 0.691 63.906 63.100 0.192 0.000 0.775 2158 P CB -0.131 31.595 31.700 0.043 0.000 1.128 2159 N N -1.873 116.971 118.700 0.239 0.000 2.116 2159 N HA 0.054 4.794 4.740 0.001 0.000 0.230 2159 N C -0.963 174.699 175.510 0.254 0.000 1.326 2159 N CA -0.109 53.063 53.050 0.204 0.000 0.867 2159 N CB 0.969 39.549 38.487 0.155 0.000 1.174 2159 N HN 0.138 nan 8.380 nan 0.000 0.506 2160 Y N 1.398 121.776 120.300 0.129 0.000 2.399 2160 Y HA 0.473 5.023 4.550 0.000 0.000 0.327 2160 Y C -1.990 173.963 175.900 0.089 0.000 1.111 2160 Y CA -0.869 57.284 58.100 0.088 0.000 1.047 2160 Y CB 1.219 39.729 38.460 0.083 0.000 1.259 2160 Y HN -0.207 nan 8.280 nan 0.000 0.434 2161 L N 5.830 126.666 121.223 -0.645 0.000 2.410 2161 L HA 0.936 5.276 4.340 0.001 0.000 0.270 2161 L C -1.665 174.802 176.870 -0.672 0.000 0.983 2161 L CA -0.445 54.064 54.840 -0.552 0.000 0.822 2161 L CB 1.593 43.331 42.059 -0.536 0.000 1.285 2161 L HN 0.888 nan 8.230 nan 0.000 0.409 2162 A N 6.957 129.528 122.820 -0.415 0.000 2.385 2162 A HA 0.707 5.028 4.320 0.001 0.000 0.290 2162 A C -1.205 176.334 177.584 -0.075 0.000 1.094 2162 A CA -0.542 51.365 52.037 -0.218 0.000 0.729 2162 A CB 1.208 20.164 19.000 -0.073 0.000 1.194 2162 A HN 0.753 nan 8.150 nan 0.000 0.442 2163 L N 0.455 121.682 121.223 0.007 0.000 2.359 2163 L HA 0.892 5.232 4.340 0.001 0.000 0.256 2163 L C -1.556 175.432 176.870 0.198 0.000 1.026 2163 L CA -1.088 53.799 54.840 0.079 0.000 0.828 2163 L CB 1.778 43.856 42.059 0.032 0.000 1.406 2163 L HN 0.510 nan 8.230 nan 0.000 0.413 2164 L N 1.711 123.055 121.223 0.202 0.000 2.331 2164 L HA 0.613 4.953 4.340 0.001 0.000 0.275 2164 L C -0.658 176.272 176.870 0.101 0.000 1.022 2164 L CA -1.044 53.907 54.840 0.185 0.000 0.812 2164 L CB 2.231 44.389 42.059 0.166 0.000 1.257 2164 L HN 0.425 nan 8.230 nan 0.000 0.435 2165 V N 2.553 122.470 119.914 0.004 0.000 2.250 2165 V HA 0.258 4.378 4.120 0.001 0.000 0.268 2165 V C 0.094 175.982 176.094 -0.343 0.000 1.043 2165 V CA -0.828 61.290 62.300 -0.303 0.000 0.814 2165 V CB 0.591 32.204 31.823 -0.351 0.000 1.072 2165 V HN 0.686 nan 8.190 nan 0.000 0.451 2166 K N 2.385 122.514 120.400 -0.452 0.000 2.107 2166 K HA 0.483 4.803 4.320 0.001 0.000 0.251 2166 K C 0.043 176.202 176.600 -0.734 0.000 1.012 2166 K CA -0.720 55.159 56.287 -0.681 0.000 0.920 2166 K CB 0.407 32.214 32.500 -1.155 0.000 1.033 2166 K HN 0.570 nan 8.250 nan 0.000 0.478 2167 Y N -1.800 118.291 120.300 -0.347 0.000 3.054 2167 Y HA -0.202 4.348 4.550 0.000 0.000 0.210 2167 Y C -0.244 175.501 175.900 -0.259 0.000 1.212 2167 Y CA -0.614 57.160 58.100 -0.542 0.000 1.118 2167 Y CB -1.987 35.948 38.460 -0.876 0.000 1.292 2167 Y HN 0.137 nan 8.280 nan 0.000 0.533 2168 V N 1.246 121.158 119.914 -0.003 0.000 2.299 2168 V HA -0.030 4.090 4.120 0.001 0.000 0.255 2168 V C 1.267 177.497 176.094 0.227 0.000 1.100 2168 V CA 0.064 62.387 62.300 0.038 0.000 0.938 2168 V CB 0.977 32.748 31.823 -0.087 0.000 1.139 2168 V HN 0.591 nan 8.190 nan 0.000 0.490 2169 N N 3.701 122.601 118.700 0.333 0.000 2.617 2169 N HA -0.024 4.716 4.740 0.001 0.000 0.198 2169 N C 1.266 176.854 175.510 0.131 0.000 1.317 2169 N CA 0.118 53.337 53.050 0.283 0.000 0.892 2169 N CB 0.209 38.857 38.487 0.267 0.000 1.041 2169 N HN 0.835 nan 8.380 nan 0.000 0.450 2170 G N 0.931 109.814 108.800 0.138 0.000 2.777 2170 G HA2 -0.243 3.717 3.960 0.001 0.000 0.286 2170 G HA3 -0.243 3.717 3.960 0.001 0.000 0.286 2170 G C 0.534 175.472 174.900 0.063 0.000 1.283 2170 G CA 0.448 45.611 45.100 0.107 0.000 1.060 2170 G HN 0.527 nan 8.290 nan 0.000 0.641 2171 D N -1.099 119.339 120.400 0.063 0.000 2.106 2171 D HA 0.242 4.882 4.640 0.001 0.000 0.203 2171 D C 1.456 177.816 176.300 0.100 0.000 0.977 2171 D CA 1.122 55.158 54.000 0.060 0.000 0.844 2171 D CB -0.276 40.558 40.800 0.057 0.000 1.002 2171 D HN 0.668 nan 8.370 nan 0.000 0.461 2172 G N -0.828 108.047 108.800 0.126 0.000 3.119 2172 G HA2 0.384 4.344 3.960 0.001 0.000 0.206 2172 G HA3 0.384 4.344 3.960 0.001 0.000 0.206 2172 G C -1.053 173.921 174.900 0.123 0.000 1.313 2172 G CA -0.674 44.541 45.100 0.192 0.000 1.010 2172 G HN -0.016 nan 8.290 nan 0.000 0.578 2173 D N 0.548 121.030 120.400 0.135 0.000 2.341 2173 D HA 0.310 4.951 4.640 0.001 0.000 0.245 2173 D C 0.789 177.159 176.300 0.118 0.000 1.106 2173 D CA -0.148 53.915 54.000 0.104 0.000 0.905 2173 D CB 1.859 42.715 40.800 0.095 0.000 1.202 2173 D HN 0.356 nan 8.370 nan 0.000 0.426 2174 V N 0.363 120.357 119.914 0.133 0.000 2.508 2174 V HA 0.133 4.253 4.120 0.001 0.000 0.281 2174 V C 0.967 177.182 176.094 0.201 0.000 1.041 2174 V CA -0.427 61.953 62.300 0.133 0.000 1.016 2174 V CB 0.814 32.691 31.823 0.091 0.000 0.984 2174 V HN 0.405 nan 8.190 nan 0.000 0.478 2175 V N 1.661 121.651 119.914 0.125 0.000 3.621 2175 V HA 0.815 4.935 4.120 0.001 0.000 0.285 2175 V C 0.775 176.960 176.094 0.152 0.000 1.346 2175 V CA 0.492 62.910 62.300 0.197 0.000 1.104 2175 V CB -0.848 31.043 31.823 0.113 0.000 0.913 2175 V HN 1.682 nan 8.190 nan 0.000 0.432 2176 A N -0.429 122.266 122.820 -0.208 0.000 2.577 2176 A HA 0.773 5.094 4.320 0.001 0.000 0.297 2176 A C -1.307 175.824 177.584 -0.755 0.000 1.060 2176 A CA -0.373 51.385 52.037 -0.464 0.000 0.697 2176 A CB 1.981 20.870 19.000 -0.186 0.000 1.281 2176 A HN 0.399 nan 8.150 nan 0.000 0.402 2177 V N 2.940 122.285 119.914 -0.949 0.000 2.577 2177 V HA 0.539 4.660 4.120 0.001 0.000 0.303 2177 V C -1.193 174.708 176.094 -0.323 0.000 1.042 2177 V CA -0.642 61.251 62.300 -0.678 0.000 0.872 2177 V CB 1.922 33.133 31.823 -1.020 0.000 0.998 2177 V HN 0.933 nan 8.190 nan 0.000 0.423 2178 D N 4.336 124.605 120.400 -0.218 0.000 2.490 2178 D HA 0.707 5.347 4.640 0.001 0.000 0.232 2178 D C -0.603 175.786 176.300 0.148 0.000 1.053 2178 D CA -0.250 53.723 54.000 -0.046 0.000 0.914 2178 D CB 3.256 43.961 40.800 -0.158 0.000 1.431 2178 D HN 0.581 nan 8.370 nan 0.000 0.483 2179 I N -2.865 117.895 120.570 0.316 0.000 2.934 2179 I HA 0.649 4.819 4.170 0.001 0.000 0.306 2179 I C -1.111 175.197 176.117 0.318 0.000 1.110 2179 I CA -0.855 60.627 61.300 0.304 0.000 1.019 2179 I CB 2.869 40.841 38.000 -0.047 0.000 1.227 2179 I HN 0.030 nan 8.210 nan 0.000 0.434 2180 K N 2.864 123.342 120.400 0.130 0.000 2.553 2180 K HA 0.302 4.622 4.320 0.001 0.000 0.250 2180 K C -1.377 175.177 176.600 -0.077 0.000 0.953 2180 K CA -0.494 55.658 56.287 -0.224 0.000 0.800 2180 K CB 2.352 34.255 32.500 -0.996 0.000 1.243 2180 K HN 0.818 nan 8.250 nan 0.000 0.435 2181 E N 3.217 123.349 120.200 -0.114 0.000 2.259 2181 E HA 0.046 4.397 4.350 0.001 0.000 0.281 2181 E C -0.498 175.936 176.600 -0.277 0.000 1.037 2181 E CA -0.567 55.627 56.400 -0.344 0.000 0.854 2181 E CB 0.763 30.236 29.700 -0.378 0.000 1.051 2181 E HN 0.211 nan 8.360 nan 0.000 0.409 2182 K N 3.314 123.549 120.400 -0.274 0.000 2.166 2182 K HA -0.085 4.236 4.320 0.001 0.000 0.258 2182 K C 0.328 176.827 176.600 -0.168 0.000 1.207 2182 K CA 1.238 57.409 56.287 -0.193 0.000 1.227 2182 K CB -0.398 32.003 32.500 -0.165 0.000 0.872 2182 K HN 0.839 nan 8.250 nan 0.000 0.426 2183 G N 3.208 111.916 108.800 -0.154 0.000 3.211 2183 G HA2 -0.153 3.808 3.960 0.001 0.000 0.202 2183 G HA3 -0.153 3.808 3.960 0.001 0.000 0.202 2183 G C -0.104 174.723 174.900 -0.122 0.000 1.035 2183 G CA -0.500 44.526 45.100 -0.123 0.000 0.846 2183 G HN 0.477 nan 8.290 nan 0.000 0.464 2184 K N 0.509 120.821 120.400 -0.147 0.000 2.240 2184 K HA 0.564 4.884 4.320 0.001 0.000 0.237 2184 K C 0.416 176.902 176.600 -0.189 0.000 1.027 2184 K CA 0.144 56.347 56.287 -0.140 0.000 0.937 2184 K CB 0.878 33.304 32.500 -0.123 0.000 1.171 2184 K HN 0.221 nan 8.250 nan 0.000 0.479 2185 D N -1.296 118.997 120.400 -0.179 0.000 2.500 2185 D HA 0.033 4.673 4.640 0.001 0.000 0.218 2185 D C -0.262 175.872 176.300 -0.276 0.000 1.140 2185 D CA -0.033 53.837 54.000 -0.218 0.000 0.830 2185 D CB 0.430 41.155 40.800 -0.125 0.000 1.055 2185 D HN -0.031 nan 8.370 nan 0.000 0.512 2186 K N 0.522 120.790 120.400 -0.220 0.000 2.143 2186 K HA 0.258 4.578 4.320 0.001 0.000 0.272 2186 K C -0.741 175.722 176.600 -0.228 0.000 1.001 2186 K CA -0.397 55.795 56.287 -0.157 0.000 0.915 2186 K CB 0.947 33.421 32.500 -0.044 0.000 1.047 2186 K HN 0.132 nan 8.250 nan 0.000 0.458 2187 W N 2.961 124.264 121.300 0.005 0.000 2.351 2187 W HA 0.349 5.009 4.660 0.001 0.000 0.311 2187 W C 0.387 176.908 176.519 0.003 0.000 1.168 2187 W CA -0.523 56.823 57.345 0.001 0.000 1.200 2187 W CB 0.563 30.014 29.460 -0.014 0.000 1.221 2187 W HN 0.282 nan 8.180 nan 0.000 0.519 2188 I N 3.711 124.443 120.570 0.269 0.000 2.304 2188 I HA 0.108 4.278 4.170 0.001 0.000 0.291 2188 I C 0.113 176.312 176.117 0.136 0.000 1.018 2188 I CA -0.616 60.773 61.300 0.149 0.000 1.260 2188 I CB 0.611 38.659 38.000 0.081 0.000 1.390 2188 I HN 0.326 nan 8.210 nan 0.000 0.475 2189 E N 6.169 126.433 120.200 0.106 0.000 2.194 2189 E HA 0.304 4.654 4.350 0.001 0.000 0.284 2189 E C -0.907 175.742 176.600 0.082 0.000 1.035 2189 E CA -0.828 55.618 56.400 0.076 0.000 0.836 2189 E CB 1.488 31.232 29.700 0.073 0.000 1.070 2189 E HN 0.293 nan 8.360 nan 0.000 0.401 2190 L N 3.421 124.699 121.223 0.092 0.000 2.375 2190 L HA 0.209 4.549 4.340 0.001 0.000 0.271 2190 L C 0.086 177.157 176.870 0.336 0.000 1.107 2190 L CA -0.097 54.851 54.840 0.180 0.000 0.806 2190 L CB 0.495 42.679 42.059 0.209 0.000 1.146 2190 L HN 0.288 nan 8.230 nan 0.000 0.447 2191 K N 1.567 122.120 120.400 0.255 0.000 2.130 2191 K HA 0.351 4.671 4.320 0.001 0.000 0.268 2191 K C -0.353 176.272 176.600 0.041 0.000 0.983 2191 K CA -0.445 55.956 56.287 0.191 0.000 0.893 2191 K CB 0.851 33.409 32.500 0.097 0.000 1.066 2191 K HN 0.454 nan 8.250 nan 0.000 0.450 2192 E N 1.082 121.178 120.200 -0.172 0.000 2.331 2192 E HA 0.291 4.641 4.350 0.001 0.000 0.272 2192 E C -0.784 175.598 176.600 -0.364 0.000 1.036 2192 E CA -0.235 55.737 56.400 -0.715 0.000 0.864 2192 E CB 0.716 29.990 29.700 -0.711 0.000 1.035 2192 E HN 0.665 nan 8.360 nan 0.000 0.408 2193 S N 3.491 118.954 115.700 -0.396 0.000 2.651 2193 S HA 0.256 4.727 4.470 0.001 0.000 0.279 2193 S C -0.709 173.835 174.600 -0.093 0.000 1.148 2193 S CA -1.056 57.063 58.200 -0.134 0.000 0.837 2193 S CB 0.634 63.807 63.200 -0.044 0.000 1.138 2193 S HN 0.718 nan 8.310 nan 0.000 0.478 2194 W N 1.532 122.765 121.300 -0.112 0.000 2.377 2194 W HA 0.299 4.960 4.660 0.000 0.000 0.341 2194 W C 1.164 177.648 176.519 -0.058 0.000 1.240 2194 W CA 2.406 59.721 57.345 -0.049 0.000 1.311 2194 W CB -0.357 29.111 29.460 0.013 0.000 1.175 2194 W HN 1.824 nan 8.180 nan 0.000 0.571 2195 G N 3.622 112.170 108.800 -0.419 0.000 2.143 2195 G HA2 -0.040 3.920 3.960 0.001 0.000 0.248 2195 G HA3 -0.040 3.920 3.960 0.001 0.000 0.248 2195 G C 0.722 175.460 174.900 -0.269 0.000 0.991 2195 G CA 0.694 45.664 45.100 -0.218 0.000 0.689 2195 G HN 2.061 nan 8.290 nan 0.000 0.522 2196 A N -1.825 120.764 122.820 -0.386 0.000 2.783 2196 A HA -0.202 4.118 4.320 0.001 0.000 0.292 2196 A C 0.576 177.953 177.584 -0.344 0.000 1.495 2196 A CA 1.548 53.357 52.037 -0.380 0.000 0.787 2196 A CB -1.956 16.914 19.000 -0.217 0.000 1.017 2196 A HN 1.506 nan 8.150 nan 0.000 0.516 2197 I N -0.429 119.925 120.570 -0.360 0.000 2.307 2197 I HA 0.353 4.523 4.170 0.001 0.000 0.289 2197 I C 0.181 176.094 176.117 -0.340 0.000 1.021 2197 I CA -0.573 60.609 61.300 -0.197 0.000 1.224 2197 I CB 0.748 38.718 38.000 -0.048 0.000 1.376 2197 I HN 0.421 nan 8.210 nan 0.000 0.470 2198 W N 6.672 127.959 121.300 -0.021 0.000 2.316 2198 W HA 0.511 5.171 4.660 0.000 0.000 0.311 2198 W C 0.177 176.648 176.519 -0.080 0.000 1.217 2198 W CA -0.393 56.930 57.345 -0.037 0.000 1.199 2198 W CB 0.542 29.978 29.460 -0.039 0.000 1.202 2198 W HN 0.288 nan 8.180 nan 0.000 0.528 2199 R N 2.813 123.358 120.500 0.075 0.000 2.686 2199 R HA 0.775 5.115 4.340 0.001 0.000 0.286 2199 R C -1.605 174.664 176.300 -0.052 0.000 0.969 2199 R CA -1.335 54.728 56.100 -0.060 0.000 0.898 2199 R CB 2.310 32.627 30.300 0.028 0.000 1.183 2199 R HN 0.375 nan 8.270 nan 0.000 0.456 2200 I N 1.367 121.811 120.570 -0.210 0.000 2.644 2200 I HA 0.246 4.416 4.170 0.001 0.000 0.291 2200 I C -1.823 174.261 176.117 -0.055 0.000 1.180 2200 I CA -0.943 60.305 61.300 -0.086 0.000 1.040 2200 I CB 2.149 40.099 38.000 -0.084 0.000 1.255 2200 I HN 0.762 nan 8.210 nan 0.000 0.422 2201 D N 4.282 124.756 120.400 0.123 0.000 2.505 2201 D HA 0.787 5.427 4.640 0.001 0.000 0.249 2201 D C -0.760 175.616 176.300 0.126 0.000 1.082 2201 D CA -0.351 53.780 54.000 0.218 0.000 0.839 2201 D CB 2.018 43.010 40.800 0.320 0.000 1.317 2201 D HN 0.577 nan 8.370 nan 0.000 0.497 2202 T N -1.444 113.180 114.554 0.117 0.000 2.841 2202 T HA 0.561 4.912 4.350 0.001 0.000 0.296 2202 T C -2.250 172.505 174.700 0.092 0.000 1.166 2202 T CA -1.700 60.455 62.100 0.092 0.000 1.007 2202 T CB 1.600 70.516 68.868 0.080 0.000 1.253 2202 T HN 0.094 nan 8.240 nan 0.000 0.511 2203 P HA 0.198 nan 4.420 nan 0.000 0.222 2203 P C -0.399 176.943 177.300 0.070 0.000 1.157 2203 P CA 0.443 63.583 63.100 0.066 0.000 0.816 2203 P CB 0.073 31.804 31.700 0.052 0.000 0.813 2204 D N 1.240 121.685 120.400 0.075 0.000 2.308 2204 D HA 0.067 4.707 4.640 0.001 0.000 0.251 2204 D C 0.374 176.742 176.300 0.113 0.000 1.127 2204 D CA -0.058 53.990 54.000 0.080 0.000 0.876 2204 D CB 0.892 41.737 40.800 0.075 0.000 1.176 2204 D HN -0.055 nan 8.370 nan 0.000 0.446 2205 K N 1.527 121.991 120.400 0.107 0.000 2.469 2205 K HA 0.080 4.400 4.320 0.001 0.000 0.274 2205 K C 0.347 177.086 176.600 0.232 0.000 0.983 2205 K CA 0.010 56.383 56.287 0.142 0.000 0.974 2205 K CB 0.603 33.160 32.500 0.095 0.000 0.913 2205 K HN 0.410 nan 8.250 nan 0.000 0.493 2206 L N 3.555 124.989 121.223 0.352 0.000 2.657 2206 L HA 0.065 4.405 4.340 0.001 0.000 0.239 2206 L C 1.542 178.846 176.870 0.722 0.000 1.215 2206 L CA -0.316 54.926 54.840 0.669 0.000 1.161 2206 L CB -0.148 42.239 42.059 0.547 0.000 1.436 2206 L HN 0.795 nan 8.230 nan 0.000 0.414 2207 T N -2.450 112.303 114.554 0.332 0.000 3.000 2207 T HA 0.117 4.468 4.350 0.001 0.000 0.233 2207 T C 1.256 175.962 174.700 0.011 0.000 1.036 2207 T CA 0.433 62.626 62.100 0.154 0.000 1.333 2207 T CB -0.493 68.391 68.868 0.027 0.000 1.048 2207 T HN 0.367 nan 8.240 nan 0.000 0.425 2208 G N 3.788 112.477 108.800 -0.185 0.000 2.707 2208 G HA2 0.335 4.295 3.960 0.001 0.000 0.231 2208 G HA3 0.335 4.295 3.960 0.001 0.000 0.231 2208 G C -2.593 171.985 174.900 -0.537 0.000 1.246 2208 G CA -0.784 44.135 45.100 -0.301 0.000 0.852 2208 G HN 0.368 nan 8.290 nan 0.000 0.584 2209 P HA 0.135 nan 4.420 nan 0.000 0.265 2209 P C -0.558 176.454 177.300 -0.479 0.000 1.193 2209 P CA 0.477 63.396 63.100 -0.300 0.000 0.765 2209 P CB 0.313 31.917 31.700 -0.160 0.000 0.823 2210 F N 0.557 120.419 119.950 -0.146 0.000 2.458 2210 F HA 0.405 4.932 4.527 0.001 0.000 0.330 2210 F C 1.062 176.759 175.800 -0.172 0.000 1.082 2210 F CA -0.327 57.572 58.000 -0.168 0.000 0.995 2210 F CB 1.338 40.206 39.000 -0.219 0.000 1.170 2210 F HN 0.029 nan 8.300 nan 0.000 0.478 2211 T N 2.592 117.197 114.554 0.084 0.000 2.771 2211 T HA 0.490 4.841 4.350 0.001 0.000 0.281 2211 T C -0.684 174.102 174.700 0.144 0.000 0.982 2211 T CA -0.491 61.644 62.100 0.059 0.000 0.978 2211 T CB 0.985 69.898 68.868 0.076 0.000 0.930 2211 T HN 0.245 nan 8.240 nan 0.000 0.447 2212 V N 5.291 125.188 119.914 -0.029 0.000 2.394 2212 V HA 0.510 4.630 4.120 0.001 0.000 0.282 2212 V C 0.352 176.497 176.094 0.085 0.000 1.031 2212 V CA -0.750 61.528 62.300 -0.037 0.000 0.881 2212 V CB 1.211 32.798 31.823 -0.392 0.000 0.982 2212 V HN 0.664 nan 8.190 nan 0.000 0.451 2213 R N 4.946 125.451 120.500 0.009 0.000 2.360 2213 R HA 0.525 4.865 4.340 0.001 0.000 0.318 2213 R C -1.641 174.549 176.300 -0.184 0.000 0.950 2213 R CA -0.552 55.418 56.100 -0.216 0.000 0.837 2213 R CB 1.289 31.167 30.300 -0.704 0.000 1.165 2213 R HN 0.790 nan 8.270 nan 0.000 0.458 2214 Y N 0.357 120.545 120.300 -0.188 0.000 2.376 2214 Y HA 0.518 5.068 4.550 0.000 0.000 0.340 2214 Y C -0.479 175.306 175.900 -0.193 0.000 0.965 2214 Y CA -1.084 56.876 58.100 -0.233 0.000 1.078 2214 Y CB 1.781 40.140 38.460 -0.167 0.000 1.193 2214 Y HN 0.454 nan 8.280 nan 0.000 0.452 2215 T N 0.620 115.089 114.554 -0.141 0.000 2.823 2215 T HA 0.625 4.976 4.350 0.001 0.000 0.279 2215 T C 0.011 174.698 174.700 -0.022 0.000 0.998 2215 T CA -0.319 61.702 62.100 -0.132 0.000 0.994 2215 T CB 1.260 70.033 68.868 -0.159 0.000 0.960 2215 T HN 0.982 nan 8.240 nan 0.000 0.448 2216 T N 0.815 115.371 114.554 0.005 0.000 2.881 2216 T HA 0.407 4.758 4.350 0.001 0.000 0.278 2216 T C 1.183 175.901 174.700 0.030 0.000 0.982 2216 T CA -0.728 61.402 62.100 0.051 0.000 0.989 2216 T CB 1.026 69.937 68.868 0.072 0.000 1.058 2216 T HN 0.758 nan 8.240 nan 0.000 0.529 2217 E N 0.887 121.119 120.200 0.052 0.000 2.136 2217 E HA -0.231 4.119 4.350 0.001 0.000 0.208 2217 E C 2.141 178.744 176.600 0.005 0.000 1.035 2217 E CA 1.788 58.209 56.400 0.035 0.000 0.838 2217 E CB -0.916 28.816 29.700 0.053 0.000 0.748 2217 E HN 0.867 nan 8.360 nan 0.000 0.459 2218 G N -0.720 108.083 108.800 0.005 0.000 2.739 2218 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 2218 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 2218 G C 1.099 175.985 174.900 -0.023 0.000 1.298 2218 G CA 1.416 46.508 45.100 -0.013 0.000 0.804 2218 G HN 0.550 nan 8.290 nan 0.000 0.623 2219 G N -2.959 105.823 108.800 -0.030 0.000 4.511 2219 G HA2 0.056 4.016 3.960 0.001 0.000 0.220 2219 G HA3 0.056 4.016 3.960 0.001 0.000 0.220 2219 G C 0.216 175.077 174.900 -0.066 0.000 0.733 2219 G CA 0.489 45.561 45.100 -0.046 0.000 0.897 2219 G HN 0.574 nan 8.290 nan 0.000 0.691 2220 T N 2.904 117.422 114.554 -0.060 0.000 2.800 2220 T HA 0.251 4.601 4.350 0.001 0.000 0.266 2220 T C 0.289 174.906 174.700 -0.139 0.000 0.939 2220 T CA 0.482 62.533 62.100 -0.081 0.000 1.199 2220 T CB 0.392 69.227 68.868 -0.055 0.000 0.899 2220 T HN 0.182 nan 8.240 nan 0.000 0.555 2221 K N 3.188 123.486 120.400 -0.170 0.000 2.284 2221 K HA 0.304 4.624 4.320 0.001 0.000 0.287 2221 K C 0.650 177.071 176.600 -0.299 0.000 1.081 2221 K CA -0.363 55.770 56.287 -0.257 0.000 0.910 2221 K CB 0.701 33.050 32.500 -0.251 0.000 1.088 2221 K HN 0.558 nan 8.250 nan 0.000 0.478 2222 T N 1.498 115.766 114.554 -0.477 0.000 2.856 2222 T HA 0.294 4.645 4.350 0.001 0.000 0.283 2222 T C -0.587 173.799 174.700 -0.523 0.000 1.008 2222 T CA -0.800 61.019 62.100 -0.467 0.000 0.997 2222 T CB 1.155 69.731 68.868 -0.487 0.000 0.992 2222 T HN 0.472 nan 8.240 nan 0.000 0.454 2223 E N 1.676 121.738 120.200 -0.230 0.000 2.207 2223 E HA 0.638 4.988 4.350 0.001 0.000 0.270 2223 E C -0.936 175.694 176.600 0.051 0.000 0.927 2223 E CA -1.327 55.026 56.400 -0.078 0.000 0.799 2223 E CB 2.033 31.741 29.700 0.013 0.000 1.172 2223 E HN 0.773 nan 8.360 nan 0.000 0.404 2224 A N 2.958 125.847 122.820 0.115 0.000 2.536 2224 A HA 0.188 4.508 4.320 0.001 0.000 0.329 2224 A C -0.285 177.312 177.584 0.022 0.000 1.321 2224 A CA -0.557 51.555 52.037 0.124 0.000 0.804 2224 A CB 0.347 19.484 19.000 0.229 0.000 1.126 2224 A HN 0.675 nan 8.150 nan 0.000 0.480 2225 E N 2.499 122.723 120.200 0.040 0.000 2.415 2225 E HA 0.111 4.461 4.350 0.001 0.000 0.263 2225 E C -0.574 176.016 176.600 -0.016 0.000 0.995 2225 E CA -0.085 56.326 56.400 0.018 0.000 0.915 2225 E CB 0.224 29.939 29.700 0.023 0.000 0.951 2225 E HN 0.597 nan 8.360 nan 0.000 0.449 2226 D N 2.889 123.264 120.400 -0.041 0.000 2.692 2226 D HA -0.174 4.466 4.640 0.001 0.000 0.233 2226 D C 0.733 176.994 176.300 -0.066 0.000 1.172 2226 D CA 0.743 54.706 54.000 -0.062 0.000 0.636 2226 D CB -1.265 39.504 40.800 -0.052 0.000 1.028 2226 D HN 0.260 nan 8.370 nan 0.000 0.419 2227 V N -0.744 119.099 119.914 -0.117 0.000 2.591 2227 V HA -0.061 4.059 4.120 0.001 0.000 0.249 2227 V C 1.541 177.544 176.094 -0.153 0.000 1.053 2227 V CA 0.750 62.984 62.300 -0.111 0.000 1.068 2227 V CB 0.068 31.741 31.823 -0.250 0.000 0.689 2227 V HN 0.342 nan 8.190 nan 0.000 0.462 2228 I N 3.889 124.306 120.570 -0.255 0.000 2.291 2228 I HA 0.255 4.425 4.170 0.001 0.000 0.290 2228 I C -2.053 173.932 176.117 -0.220 0.000 1.050 2228 I CA -1.927 59.121 61.300 -0.421 0.000 1.245 2228 I CB 1.379 39.128 38.000 -0.418 0.000 1.405 2228 I HN 0.131 nan 8.210 nan 0.000 0.478 2229 P HA 0.021 nan 4.420 nan 0.000 0.272 2229 P C -0.334 177.034 177.300 0.113 0.000 1.240 2229 P CA -0.290 62.798 63.100 -0.019 0.000 0.791 2229 P CB 0.819 32.544 31.700 0.042 0.000 0.978 2230 E N 0.216 120.452 120.200 0.060 0.000 2.398 2230 E HA 0.246 4.596 4.350 0.001 0.000 0.263 2230 E C 0.657 177.293 176.600 0.060 0.000 1.046 2230 E CA 0.196 56.635 56.400 0.064 0.000 0.908 2230 E CB -0.410 29.281 29.700 -0.015 0.000 0.963 2230 E HN 0.769 nan 8.360 nan 0.000 0.431 2231 G N 4.701 113.471 108.800 -0.050 0.000 2.350 2231 G HA2 -0.223 3.737 3.960 0.001 0.000 0.298 2231 G HA3 -0.223 3.737 3.960 0.001 0.000 0.298 2231 G C -0.057 174.781 174.900 -0.104 0.000 1.037 2231 G CA 0.388 45.383 45.100 -0.175 0.000 1.074 2231 G HN 0.493 nan 8.290 nan 0.000 0.511 2232 W N -0.739 120.582 121.300 0.034 0.000 2.141 2232 W HA 0.834 5.494 4.660 0.001 0.000 0.354 2232 W C -0.003 176.602 176.519 0.143 0.000 1.297 2232 W CA -0.943 56.445 57.345 0.071 0.000 1.380 2232 W CB 0.498 29.890 29.460 -0.113 0.000 1.168 2232 W HN 0.061 nan 8.180 nan 0.000 0.639 2233 K N 0.558 121.275 120.400 0.528 0.000 2.375 2233 K HA 0.548 4.869 4.320 0.001 0.000 0.249 2233 K C -0.204 176.657 176.600 0.434 0.000 0.942 2233 K CA -0.728 55.743 56.287 0.307 0.000 0.806 2233 K CB 1.913 34.523 32.500 0.184 0.000 1.227 2233 K HN 0.540 nan 8.250 nan 0.000 0.430 2234 A N 1.355 124.364 122.820 0.315 0.000 2.483 2234 A HA 0.264 4.584 4.320 0.001 0.000 0.238 2234 A C -0.122 177.554 177.584 0.153 0.000 1.070 2234 A CA 0.588 52.789 52.037 0.274 0.000 0.770 2234 A CB -0.294 18.841 19.000 0.226 0.000 1.008 2234 A HN 0.899 nan 8.150 nan 0.000 0.497 2235 D N -0.493 119.939 120.400 0.053 0.000 2.705 2235 D HA -0.125 4.515 4.640 0.001 0.000 0.240 2235 D C -0.283 176.045 176.300 0.047 0.000 1.137 2235 D CA 1.847 55.863 54.000 0.025 0.000 0.677 2235 D CB -1.201 39.692 40.800 0.155 0.000 1.049 2235 D HN 0.673 nan 8.370 nan 0.000 0.427 2236 T N 0.460 114.933 114.554 -0.136 0.000 2.952 2236 T HA 0.558 4.908 4.350 0.001 0.000 0.305 2236 T C -0.480 174.141 174.700 -0.131 0.000 1.064 2236 T CA -0.664 61.400 62.100 -0.060 0.000 1.008 2236 T CB 1.857 70.692 68.868 -0.056 0.000 1.078 2236 T HN -0.062 nan 8.240 nan 0.000 0.459 2237 S N 1.974 117.653 115.700 -0.035 0.000 2.442 2237 S HA 0.609 5.079 4.470 0.001 0.000 0.297 2237 S C -1.259 173.213 174.600 -0.214 0.000 1.131 2237 S CA -0.610 57.632 58.200 0.070 0.000 1.092 2237 S CB 0.189 63.505 63.200 0.193 0.000 0.998 2237 S HN 0.530 nan 8.310 nan 0.000 0.478 2238 Y N 1.799 122.212 120.300 0.188 0.000 2.376 2238 Y HA 0.393 4.943 4.550 0.000 0.000 0.340 2238 Y C 0.573 176.621 175.900 0.248 0.000 0.965 2238 Y CA -1.084 57.122 58.100 0.177 0.000 1.078 2238 Y CB 1.136 39.679 38.460 0.139 0.000 1.193 2238 Y HN 0.630 nan 8.280 nan 0.000 0.452 2239 E N 0.694 121.084 120.200 0.317 0.000 2.232 2239 E HA 0.735 5.085 4.350 0.001 0.000 0.264 2239 E C -0.726 176.045 176.600 0.285 0.000 0.973 2239 E CA -1.075 55.497 56.400 0.286 0.000 0.849 2239 E CB 1.732 31.522 29.700 0.149 0.000 1.198 2239 E HN 0.510 nan 8.360 nan 0.000 0.407 2240 S N 0.000 115.875 115.700 0.291 0.000 2.498 2240 S HA 0.000 4.470 4.470 0.001 0.000 0.327 2240 S CA 0.000 58.346 58.200 0.244 0.000 1.107 2240 S CB 0.000 63.401 63.200 0.334 0.000 0.593 2240 S HN 0.000 nan 8.310 nan 0.000 0.517