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 1m5s_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MEINGVEIED TYAEAFPIKI ARVLITAATK RWALVAATEA TGFATSVIMC DATA SEQUENCE PAEAGIERLA SPSETPDGRP GVYVQICTFK YEALEEQLLE RIGQCVLTAP DATA SEQUENCE TTAVFNGLPE AEKQDNVGFK LKFFADGMES ETQIAGRKVY KVPIMEGDFL DATA SEQUENCE AEENIGAIAG IAGGNFFIFG DSQMTALTAA EAAVDTIAEL EGTITPFPGG DATA SEQUENCE IVASGSKSGA NKYKFLKATA NERFCPSIKD KIENTEIPAD VNAVYEIVIN DATA SEQUENCE GLDEESIKAA MKAGIKAAVT VPGVKKISAG NYGGKLGKYQ FKLHELF 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.236 176.300 -0.107 0.000 1.140 2001 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 2001 M CB 0.000 32.452 32.600 -0.247 0.000 1.302 2002 E N 4.832 124.957 120.200 -0.126 0.000 2.210 2002 E HA 0.646 4.996 4.350 0.001 0.000 0.266 2002 E C -1.385 175.099 176.600 -0.194 0.000 0.883 2002 E CA -0.738 55.579 56.400 -0.138 0.000 0.761 2002 E CB 2.705 32.355 29.700 -0.083 0.000 1.156 2002 E HN 0.614 nan 8.360 nan 0.000 0.412 2003 I N 2.890 123.319 120.570 -0.235 0.000 2.389 2003 I HA 0.192 4.363 4.170 0.001 0.000 0.288 2003 I C 0.252 176.280 176.117 -0.148 0.000 0.999 2003 I CA -0.583 60.570 61.300 -0.246 0.000 1.129 2003 I CB 1.188 38.947 38.000 -0.402 0.000 1.288 2003 I HN 0.584 nan 8.210 nan 0.000 0.444 2004 N N 4.655 123.292 118.700 -0.105 0.000 2.714 2004 N HA -0.211 4.529 4.740 0.001 0.000 0.250 2004 N C 0.813 176.293 175.510 -0.050 0.000 1.117 2004 N CA 1.457 54.469 53.050 -0.064 0.000 0.719 2004 N CB -0.684 37.771 38.487 -0.053 0.000 1.081 2004 N HN 1.152 nan 8.380 nan 0.000 0.557 2005 G N -3.321 105.444 108.800 -0.058 0.000 2.176 2005 G HA2 -0.265 3.695 3.960 0.001 0.000 0.253 2005 G HA3 -0.265 3.695 3.960 0.001 0.000 0.253 2005 G C -0.014 174.862 174.900 -0.040 0.000 0.979 2005 G CA 0.239 45.313 45.100 -0.042 0.000 0.641 2005 G HN 0.668 nan 8.290 nan 0.000 0.530 2006 V N 1.276 121.159 119.914 -0.053 0.000 2.439 2006 V HA 0.458 4.578 4.120 0.001 0.000 0.282 2006 V C 0.741 176.796 176.094 -0.064 0.000 1.039 2006 V CA -0.589 61.687 62.300 -0.040 0.000 0.913 2006 V CB 1.806 33.616 31.823 -0.022 0.000 0.983 2006 V HN 0.423 nan 8.190 nan 0.000 0.460 2007 E N 4.789 124.959 120.200 -0.050 0.000 2.351 2007 E HA 0.079 4.429 4.350 0.001 0.000 0.266 2007 E C -0.818 175.749 176.600 -0.054 0.000 1.031 2007 E CA -0.543 55.824 56.400 -0.055 0.000 0.911 2007 E CB 0.505 30.172 29.700 -0.055 0.000 0.986 2007 E HN 0.436 nan 8.360 nan 0.000 0.446 2008 I N 4.875 125.403 120.570 -0.071 0.000 2.301 2008 I HA 0.106 4.276 4.170 0.001 0.000 0.292 2008 I C 0.584 176.771 176.117 0.116 0.000 1.046 2008 I CA -0.232 61.042 61.300 -0.042 0.000 1.282 2008 I CB 0.438 38.308 38.000 -0.217 0.000 1.409 2008 I HN 0.689 nan 8.210 nan 0.000 0.484 2009 E N 4.922 125.184 120.200 0.104 0.000 2.414 2009 E HA -0.094 4.256 4.350 0.001 0.000 0.263 2009 E C -0.150 176.598 176.600 0.246 0.000 1.000 2009 E CA -0.163 56.305 56.400 0.113 0.000 0.914 2009 E CB 0.705 30.412 29.700 0.012 0.000 0.948 2009 E HN 0.393 nan 8.360 nan 0.000 0.444 2010 D N 3.669 124.132 120.400 0.104 0.000 2.508 2010 D HA 0.087 4.728 4.640 0.001 0.000 0.224 2010 D C -0.687 175.607 176.300 -0.010 0.000 1.171 2010 D CA 0.405 54.307 54.000 -0.162 0.000 1.006 2010 D CB 0.116 40.636 40.800 -0.467 0.000 1.073 2010 D HN 0.382 nan 8.370 nan 0.000 0.513 2011 T N 1.685 116.300 114.554 0.102 0.000 2.618 2011 T HA 0.619 4.970 4.350 0.001 0.000 0.293 2011 T C -1.644 173.190 174.700 0.224 0.000 1.093 2011 T CA -0.604 61.565 62.100 0.114 0.000 1.061 2011 T CB 0.761 69.597 68.868 -0.053 0.000 1.498 2011 T HN 0.240 nan 8.240 nan 0.000 0.494 2012 Y N -0.774 119.553 120.300 0.046 0.000 2.571 2012 Y HA 0.856 5.407 4.550 0.001 0.000 0.341 2012 Y C -0.661 175.289 175.900 0.082 0.000 1.076 2012 Y CA -1.541 56.609 58.100 0.084 0.000 1.029 2012 Y CB 1.028 39.525 38.460 0.061 0.000 1.308 2012 Y HN 0.732 nan 8.280 nan 0.000 0.461 2013 A N 1.843 124.801 122.820 0.229 0.000 2.309 2013 A HA 0.429 4.750 4.320 0.001 0.000 0.298 2013 A C -0.505 177.296 177.584 0.362 0.000 1.165 2013 A CA -0.710 51.447 52.037 0.199 0.000 0.821 2013 A CB 0.427 19.586 19.000 0.264 0.000 1.102 2013 A HN 0.773 nan 8.150 nan 0.000 0.500 2014 E N 1.234 121.584 120.200 0.250 0.000 2.081 2014 E HA 0.470 4.821 4.350 0.001 0.000 0.281 2014 E C -0.250 176.415 176.600 0.109 0.000 0.986 2014 E CA -0.213 56.321 56.400 0.223 0.000 0.796 2014 E CB 1.441 31.272 29.700 0.219 0.000 1.085 2014 E HN 0.734 nan 8.360 nan 0.000 0.398 2015 A N 3.739 126.639 122.820 0.134 0.000 2.311 2015 A HA 0.715 5.036 4.320 0.001 0.000 0.334 2015 A C -0.961 176.618 177.584 -0.008 0.000 1.139 2015 A CA -0.530 51.633 52.037 0.209 0.000 0.830 2015 A CB 0.588 19.908 19.000 0.533 0.000 1.234 2015 A HN 0.475 nan 8.150 nan 0.000 0.483 2016 F N 0.672 120.847 119.950 0.374 0.000 2.523 2016 F HA 0.559 5.086 4.527 0.001 0.000 0.329 2016 F C -2.018 174.017 175.800 0.392 0.000 1.061 2016 F CA -2.547 55.675 58.000 0.370 0.000 0.967 2016 F CB 1.423 40.606 39.000 0.304 0.000 1.218 2016 F HN 0.287 nan 8.300 nan 0.000 0.480 2017 P HA 0.324 nan 4.420 nan 0.000 0.271 2017 P C -0.810 176.702 177.300 0.354 0.000 1.216 2017 P CA 0.208 63.573 63.100 0.443 0.000 0.776 2017 P CB 1.758 33.685 31.700 0.380 0.000 0.881 2018 I N 1.545 122.218 120.570 0.171 0.000 2.842 2018 I HA 0.242 4.413 4.170 0.001 0.000 0.297 2018 I C -0.870 175.223 176.117 -0.041 0.000 1.380 2018 I CA -1.148 60.173 61.300 0.035 0.000 1.018 2018 I CB 2.335 40.268 38.000 -0.112 0.000 1.311 2018 I HN 0.049 nan 8.210 nan 0.000 0.439 2019 K N 7.133 127.461 120.400 -0.119 0.000 2.276 2019 K HA 0.528 4.848 4.320 0.001 0.000 0.283 2019 K C -0.891 175.684 176.600 -0.041 0.000 1.044 2019 K CA -0.109 56.085 56.287 -0.155 0.000 0.944 2019 K CB 0.934 33.220 32.500 -0.358 0.000 1.012 2019 K HN 0.454 nan 8.250 nan 0.000 0.472 2020 I N 2.060 122.650 120.570 0.033 0.000 2.439 2020 I HA 0.242 4.413 4.170 0.001 0.000 0.285 2020 I C -0.215 175.957 176.117 0.091 0.000 1.021 2020 I CA -0.962 60.362 61.300 0.041 0.000 1.091 2020 I CB 1.917 39.930 38.000 0.021 0.000 1.242 2020 I HN 0.510 nan 8.210 nan 0.000 0.439 2021 A N 7.136 130.007 122.820 0.086 0.000 2.301 2021 A HA 0.597 4.917 4.320 0.001 0.000 0.298 2021 A C -0.217 177.415 177.584 0.080 0.000 1.185 2021 A CA -0.504 51.589 52.037 0.093 0.000 0.830 2021 A CB 0.780 19.835 19.000 0.092 0.000 1.112 2021 A HN 0.760 nan 8.150 nan 0.000 0.508 2022 R N 2.327 122.881 120.500 0.090 0.000 2.338 2022 R HA 0.589 4.930 4.340 0.001 0.000 0.317 2022 R C -1.695 174.692 176.300 0.145 0.000 0.968 2022 R CA -0.235 55.930 56.100 0.109 0.000 0.849 2022 R CB 1.310 31.663 30.300 0.088 0.000 1.128 2022 R HN 0.514 nan 8.270 nan 0.000 0.448 2023 V N 5.587 125.603 119.914 0.169 0.000 2.588 2023 V HA 0.347 4.467 4.120 0.001 0.000 0.304 2023 V C -0.738 175.471 176.094 0.191 0.000 1.042 2023 V CA -1.020 61.376 62.300 0.161 0.000 0.877 2023 V CB 1.795 33.683 31.823 0.108 0.000 0.996 2023 V HN 0.596 nan 8.190 nan 0.000 0.425 2024 L N 6.273 127.595 121.223 0.166 0.000 2.265 2024 L HA 0.627 4.968 4.340 0.001 0.000 0.289 2024 L C -0.534 176.357 176.870 0.036 0.000 1.033 2024 L CA 0.276 55.118 54.840 0.003 0.000 0.814 2024 L CB 0.763 42.785 42.059 -0.062 0.000 1.203 2024 L HN 0.557 nan 8.230 nan 0.000 0.423 2025 I N 5.113 125.679 120.570 -0.007 0.000 2.312 2025 I HA 0.323 4.493 4.170 0.001 0.000 0.290 2025 I C 0.398 176.536 176.117 0.036 0.000 1.008 2025 I CA -0.375 60.944 61.300 0.032 0.000 1.226 2025 I CB 1.369 39.397 38.000 0.046 0.000 1.371 2025 I HN 0.716 nan 8.210 nan 0.000 0.468 2026 T N 3.060 117.668 114.554 0.091 0.000 2.943 2026 T HA 0.914 5.265 4.350 0.001 0.000 0.284 2026 T C -0.241 174.523 174.700 0.106 0.000 1.015 2026 T CA -0.597 61.566 62.100 0.104 0.000 1.042 2026 T CB 2.344 71.324 68.868 0.185 0.000 1.055 2026 T HN 0.713 nan 8.240 nan 0.000 0.500 2027 A N 0.294 123.180 122.820 0.110 0.000 2.515 2027 A HA 0.865 5.186 4.320 0.001 0.000 0.299 2027 A C 1.219 178.881 177.584 0.129 0.000 1.179 2027 A CA -0.399 51.716 52.037 0.131 0.000 0.656 2027 A CB 0.201 19.316 19.000 0.191 0.000 1.306 2027 A HN 1.386 nan 8.150 nan 0.000 0.459 2028 A N -0.637 122.269 122.820 0.142 0.000 1.972 2028 A HA 0.365 4.686 4.320 0.001 0.000 0.219 2028 A C 1.274 178.956 177.584 0.162 0.000 1.169 2028 A CA 2.574 54.688 52.037 0.128 0.000 0.635 2028 A CB -0.735 18.322 19.000 0.095 0.000 0.810 2028 A HN 2.189 nan 8.150 nan 0.000 0.446 2029 T N -5.720 108.974 114.554 0.232 0.000 2.841 2029 T HA 0.482 4.832 4.350 0.001 0.000 0.296 2029 T C 0.390 175.153 174.700 0.106 0.000 1.166 2029 T CA -0.416 61.778 62.100 0.157 0.000 1.007 2029 T CB 1.534 70.501 68.868 0.165 0.000 1.253 2029 T HN 0.099 nan 8.240 nan 0.000 0.511 2030 K N -0.159 120.264 120.400 0.040 0.000 2.074 2030 K HA -0.143 4.177 4.320 0.001 0.000 0.209 2030 K C 2.491 179.072 176.600 -0.033 0.000 1.048 2030 K CA 1.119 57.410 56.287 0.007 0.000 0.926 2030 K CB -0.154 32.340 32.500 -0.010 0.000 0.713 2030 K HN 0.419 nan 8.250 nan 0.000 0.444 2031 R N 0.579 121.012 120.500 -0.112 0.000 2.083 2031 R HA -0.171 4.170 4.340 0.001 0.000 0.237 2031 R C 1.755 177.864 176.300 -0.317 0.000 1.137 2031 R CA 1.854 57.785 56.100 -0.281 0.000 0.951 2031 R CB -0.588 29.425 30.300 -0.478 0.000 0.851 2031 R HN 0.368 nan 8.270 nan 0.000 0.434 2032 W N 0.326 121.630 121.300 0.006 0.000 2.436 2032 W HA 0.054 4.714 4.660 0.000 0.000 0.284 2032 W C 2.527 179.051 176.519 0.008 0.000 1.225 2032 W CA 0.725 58.074 57.345 0.006 0.000 1.271 2032 W CB -0.239 29.227 29.460 0.010 0.000 1.114 2032 W HN 0.236 nan 8.180 nan 0.000 0.559 2033 A N 0.037 122.969 122.820 0.188 0.000 1.902 2033 A HA -0.190 4.130 4.320 0.001 0.000 0.217 2033 A C 1.891 179.515 177.584 0.067 0.000 1.181 2033 A CA 1.513 53.618 52.037 0.113 0.000 0.623 2033 A CB -0.882 18.162 19.000 0.073 0.000 0.818 2033 A HN 0.266 nan 8.150 nan 0.000 0.443 2034 L N -0.265 120.974 121.223 0.025 0.000 2.109 2034 L HA -0.055 4.286 4.340 0.001 0.000 0.207 2034 L C 2.382 179.255 176.870 0.004 0.000 1.086 2034 L CA 1.516 56.356 54.840 -0.000 0.000 0.760 2034 L CB -0.453 41.584 42.059 -0.037 0.000 0.910 2034 L HN 0.148 nan 8.230 nan 0.000 0.437 2035 V N 0.011 119.927 119.914 0.004 0.000 2.287 2035 V HA -0.339 3.782 4.120 0.001 0.000 0.248 2035 V C 2.742 178.878 176.094 0.068 0.000 1.053 2035 V CA 1.861 64.179 62.300 0.031 0.000 1.027 2035 V CB -1.272 30.606 31.823 0.092 0.000 0.646 2035 V HN 0.599 nan 8.190 nan 0.000 0.447 2036 A N -0.357 122.522 122.820 0.099 0.000 1.872 2036 A HA -0.014 4.306 4.320 0.001 0.000 0.214 2036 A C 2.412 180.026 177.584 0.049 0.000 1.187 2036 A CA 1.818 53.901 52.037 0.077 0.000 0.614 2036 A CB -0.817 18.238 19.000 0.091 0.000 0.826 2036 A HN 0.569 nan 8.150 nan 0.000 0.442 2037 A N -0.936 121.913 122.820 0.048 0.000 1.940 2037 A HA -0.101 4.219 4.320 0.001 0.000 0.219 2037 A C 2.280 179.882 177.584 0.029 0.000 1.176 2037 A CA 2.359 54.419 52.037 0.039 0.000 0.631 2037 A CB -1.152 17.871 19.000 0.038 0.000 0.814 2037 A HN 0.429 nan 8.150 nan 0.000 0.446 2038 T N -0.819 113.749 114.554 0.023 0.000 2.812 2038 T HA -0.071 4.279 4.350 0.001 0.000 0.264 2038 T C 1.915 176.625 174.700 0.016 0.000 1.042 2038 T CA 1.552 63.660 62.100 0.014 0.000 1.140 2038 T CB -0.154 68.716 68.868 0.003 0.000 0.870 2038 T HN 0.638 nan 8.240 nan 0.000 0.445 2039 E N 1.714 121.926 120.200 0.020 0.000 2.077 2039 E HA -0.010 4.341 4.350 0.001 0.000 0.193 2039 E C 2.135 178.747 176.600 0.019 0.000 0.989 2039 E CA 1.339 57.750 56.400 0.018 0.000 0.800 2039 E CB -0.461 29.250 29.700 0.018 0.000 0.746 2039 E HN 0.421 nan 8.360 nan 0.000 0.452 2040 A N -0.400 122.431 122.820 0.018 0.000 2.014 2040 A HA -0.069 4.252 4.320 0.001 0.000 0.218 2040 A C 2.164 179.758 177.584 0.016 0.000 1.163 2040 A CA 1.767 53.813 52.037 0.015 0.000 0.652 2040 A CB -0.647 18.364 19.000 0.017 0.000 0.808 2040 A HN 0.396 nan 8.150 nan 0.000 0.449 2041 T N -2.998 111.566 114.554 0.017 0.000 3.145 2041 T HA 0.440 4.791 4.350 0.001 0.000 0.255 2041 T C 0.839 175.544 174.700 0.008 0.000 1.039 2041 T CA 0.277 62.381 62.100 0.007 0.000 0.928 2041 T CB 0.034 68.908 68.868 0.009 0.000 1.029 2041 T HN 0.366 nan 8.240 nan 0.000 0.554 2042 G N 0.732 109.550 108.800 0.029 0.000 2.616 2042 G HA2 0.410 4.370 3.960 0.001 0.000 0.268 2042 G HA3 0.410 4.370 3.960 0.001 0.000 0.268 2042 G C -0.140 174.839 174.900 0.131 0.000 1.213 2042 G CA -0.877 44.256 45.100 0.055 0.000 0.926 2042 G HN 0.337 nan 8.290 nan 0.000 0.523 2043 F N -0.779 119.130 119.950 -0.068 0.000 2.907 2043 F HA -0.179 4.348 4.527 0.001 0.000 0.244 2043 F C 0.686 176.431 175.800 -0.091 0.000 1.007 2043 F CA 0.433 58.387 58.000 -0.076 0.000 0.872 2043 F CB -0.985 37.981 39.000 -0.056 0.000 0.767 2043 F HN 1.089 nan 8.300 nan 0.000 0.837 2044 A N 0.987 123.761 122.820 -0.076 0.000 3.455 2044 A HA 0.478 4.798 4.320 0.001 0.000 0.225 2044 A C 0.958 178.405 177.584 -0.229 0.000 1.052 2044 A CA 0.278 52.196 52.037 -0.199 0.000 1.005 2044 A CB -0.663 18.255 19.000 -0.137 0.000 1.318 2044 A HN 0.751 nan 8.150 nan 0.000 0.639 2045 T N -2.859 111.500 114.554 -0.324 0.000 3.010 2045 T HA 0.342 4.693 4.350 0.001 0.000 0.252 2045 T C 0.842 175.193 174.700 -0.582 0.000 1.047 2045 T CA 0.896 62.636 62.100 -0.600 0.000 1.140 2045 T CB 0.099 68.404 68.868 -0.939 0.000 0.885 2045 T HN 1.018 nan 8.240 nan 0.000 0.464 2046 S N -0.457 115.020 115.700 -0.371 0.000 2.614 2046 S HA 0.459 4.929 4.470 0.001 0.000 0.275 2046 S C 0.259 174.758 174.600 -0.169 0.000 1.161 2046 S CA -0.668 57.421 58.200 -0.185 0.000 0.969 2046 S CB 1.935 65.100 63.200 -0.059 0.000 1.059 2046 S HN 0.099 nan 8.310 nan 0.000 0.482 2047 V N 6.496 126.309 119.914 -0.168 0.000 3.241 2047 V HA 0.060 4.181 4.120 0.001 0.000 0.269 2047 V C 1.515 177.562 176.094 -0.078 0.000 1.151 2047 V CA 1.482 63.677 62.300 -0.175 0.000 1.158 2047 V CB -0.702 30.954 31.823 -0.279 0.000 0.764 2047 V HN 0.890 nan 8.190 nan 0.000 0.508 2048 I N -0.688 119.861 120.570 -0.035 0.000 3.001 2048 I HA -0.086 4.085 4.170 0.001 0.000 0.268 2048 I C 1.859 177.974 176.117 -0.003 0.000 1.267 2048 I CA 1.532 62.841 61.300 0.016 0.000 1.472 2048 I CB -0.003 38.015 38.000 0.031 0.000 1.089 2048 I HN 0.394 nan 8.210 nan 0.000 0.468 2049 M N -2.052 117.521 119.600 -0.045 0.000 2.096 2049 M HA 0.187 4.668 4.480 0.001 0.000 0.422 2049 M C -0.299 175.926 176.300 -0.125 0.000 0.886 2049 M CA 0.025 55.300 55.300 -0.041 0.000 1.103 2049 M CB 0.790 33.394 32.600 0.007 0.000 2.239 2049 M HN 0.007 nan 8.290 nan 0.000 0.758 2050 C N 1.231 120.389 119.300 -0.236 0.000 2.358 2050 C HA 0.440 4.901 4.460 0.001 0.000 0.354 2050 C C -1.159 173.577 174.990 -0.424 0.000 1.183 2050 C CA -0.902 57.808 59.018 -0.513 0.000 2.150 2050 C CB 1.249 28.680 27.740 -0.515 0.000 2.361 2050 C HN 0.292 nan 8.230 nan 0.000 0.535 2051 P HA 0.018 nan 4.420 nan 0.000 0.219 2051 P C 0.027 177.193 177.300 -0.223 0.000 1.146 2051 P CA 1.406 64.326 63.100 -0.299 0.000 0.808 2051 P CB 0.248 31.779 31.700 -0.282 0.000 0.779 2052 A N -1.626 121.036 122.820 -0.263 0.000 2.581 2052 A HA 0.509 4.830 4.320 0.001 0.000 0.290 2052 A C -1.447 176.009 177.584 -0.213 0.000 1.119 2052 A CA -0.606 51.312 52.037 -0.199 0.000 0.670 2052 A CB 0.801 19.717 19.000 -0.139 0.000 1.280 2052 A HN -0.165 nan 8.150 nan 0.000 0.425 2053 E N -0.239 119.851 120.200 -0.183 0.000 2.133 2053 E HA 0.618 4.969 4.350 0.001 0.000 0.274 2053 E C -0.413 176.123 176.600 -0.107 0.000 0.930 2053 E CA -0.300 56.006 56.400 -0.157 0.000 0.770 2053 E CB 1.837 31.447 29.700 -0.150 0.000 1.104 2053 E HN 1.001 nan 8.360 nan 0.000 0.403 2054 A N 2.393 125.160 122.820 -0.087 0.000 2.587 2054 A HA 0.936 5.257 4.320 0.001 0.000 0.293 2054 A C -0.592 176.975 177.584 -0.028 0.000 1.087 2054 A CA -0.178 51.831 52.037 -0.047 0.000 0.692 2054 A CB 2.098 21.074 19.000 -0.040 0.000 1.291 2054 A HN 0.660 nan 8.150 nan 0.000 0.407 2055 G N -0.643 108.156 108.800 -0.002 0.000 2.495 2055 G HA2 0.528 4.489 3.960 0.001 0.000 0.294 2055 G HA3 0.528 4.489 3.960 0.001 0.000 0.294 2055 G C -1.590 173.328 174.900 0.031 0.000 1.397 2055 G CA -0.669 44.437 45.100 0.011 0.000 0.790 2055 G HN 0.754 nan 8.290 nan 0.000 0.486 2056 I N 1.074 121.665 120.570 0.035 0.000 2.371 2056 I HA 0.204 4.375 4.170 0.001 0.000 0.290 2056 I C 1.521 177.674 176.117 0.059 0.000 1.028 2056 I CA -0.122 61.210 61.300 0.053 0.000 1.345 2056 I CB 1.867 39.892 38.000 0.043 0.000 1.407 2056 I HN 0.866 nan 8.210 nan 0.000 0.501 2057 E N 7.685 127.936 120.200 0.086 0.000 2.060 2057 E HA 0.007 4.357 4.350 0.001 0.000 0.189 2057 E C 0.157 176.805 176.600 0.079 0.000 0.974 2057 E CA 0.537 56.980 56.400 0.073 0.000 0.808 2057 E CB 0.510 30.255 29.700 0.075 0.000 0.768 2057 E HN 0.700 nan 8.360 nan 0.000 0.453 2058 R N -1.146 119.431 120.500 0.129 0.000 3.062 2058 R HA 0.202 4.542 4.340 0.001 0.000 0.279 2058 R C -1.679 174.723 176.300 0.170 0.000 1.003 2058 R CA -0.899 55.276 56.100 0.125 0.000 0.872 2058 R CB -0.040 30.324 30.300 0.107 0.000 1.280 2058 R HN -0.100 nan 8.270 nan 0.000 0.516 2059 L N 1.541 122.831 121.223 0.112 0.000 2.439 2059 L HA 0.515 4.855 4.340 0.001 0.000 0.269 2059 L C 0.356 177.295 176.870 0.116 0.000 1.179 2059 L CA 0.460 55.350 54.840 0.084 0.000 0.828 2059 L CB 1.075 43.163 42.059 0.048 0.000 1.106 2059 L HN 0.844 nan 8.230 nan 0.000 0.467 2060 A N 2.261 125.104 122.820 0.038 0.000 2.260 2060 A HA 0.535 4.855 4.320 0.001 0.000 0.314 2060 A C 0.187 177.781 177.584 0.017 0.000 1.257 2060 A CA -0.432 51.621 52.037 0.027 0.000 0.871 2060 A CB 0.726 19.595 19.000 -0.217 0.000 1.166 2060 A HN 0.655 nan 8.150 nan 0.000 0.522 2061 S N 2.808 118.535 115.700 0.045 0.000 2.560 2061 S HA 0.210 4.681 4.470 0.001 0.000 0.284 2061 S C -1.358 173.246 174.600 0.008 0.000 1.327 2061 S CA -0.810 57.406 58.200 0.026 0.000 1.055 2061 S CB 0.396 63.615 63.200 0.032 0.000 0.868 2061 S HN 0.489 nan 8.310 nan 0.000 0.506 2062 P HA -0.096 nan 4.420 nan 0.000 0.220 2062 P C 1.307 178.601 177.300 -0.010 0.000 1.144 2062 P CA 1.229 64.327 63.100 -0.004 0.000 0.800 2062 P CB -0.082 31.621 31.700 0.004 0.000 0.772 2063 S N -0.818 114.882 115.700 -0.001 0.000 2.561 2063 S HA -0.090 4.380 4.470 0.001 0.000 0.225 2063 S C 1.513 176.110 174.600 -0.005 0.000 0.977 2063 S CA 0.712 58.910 58.200 -0.003 0.000 0.926 2063 S CB -0.850 62.352 63.200 0.004 0.000 0.769 2063 S HN 0.413 nan 8.310 nan 0.000 0.533 2064 E N 0.774 120.974 120.200 -0.000 0.000 2.572 2064 E HA 0.090 4.441 4.350 0.001 0.000 0.220 2064 E C 0.233 176.822 176.600 -0.019 0.000 0.945 2064 E CA 0.074 56.481 56.400 0.010 0.000 1.070 2064 E CB 0.024 29.761 29.700 0.061 0.000 1.090 2064 E HN 0.479 nan 8.360 nan 0.000 0.506 2065 T N -0.669 113.845 114.554 -0.066 0.000 2.913 2065 T HA 0.271 4.621 4.350 0.001 0.000 0.287 2065 T C -1.825 172.722 174.700 -0.256 0.000 1.008 2065 T CA -1.700 60.306 62.100 -0.157 0.000 1.067 2065 T CB 1.455 70.240 68.868 -0.139 0.000 0.996 2065 T HN -0.268 nan 8.240 nan 0.000 0.513 2066 P HA -0.087 nan 4.420 nan 0.000 0.216 2066 P C 0.933 177.997 177.300 -0.394 0.000 1.150 2066 P CA 1.156 63.914 63.100 -0.570 0.000 0.837 2066 P CB -0.020 30.987 31.700 -1.154 0.000 0.786 2067 D N -2.546 117.639 120.400 -0.358 0.000 2.349 2067 D HA 0.133 4.773 4.640 0.001 0.000 0.214 2067 D C 1.359 177.628 176.300 -0.052 0.000 1.063 2067 D CA 0.480 54.419 54.000 -0.102 0.000 0.847 2067 D CB -0.900 39.947 40.800 0.079 0.000 0.933 2067 D HN 0.201 nan 8.370 nan 0.000 0.513 2068 G N 0.425 109.180 108.800 -0.075 0.000 2.148 2068 G HA2 -0.329 3.631 3.960 0.001 0.000 0.254 2068 G HA3 -0.329 3.631 3.960 0.001 0.000 0.254 2068 G C 0.211 175.104 174.900 -0.011 0.000 0.981 2068 G CA 0.073 45.150 45.100 -0.038 0.000 0.670 2068 G HN 0.452 nan 8.290 nan 0.000 0.528 2069 R N 0.781 121.282 120.500 0.002 0.000 2.573 2069 R HA 0.474 4.815 4.340 0.001 0.000 0.272 2069 R C -2.240 174.072 176.300 0.019 0.000 1.009 2069 R CA -1.843 54.273 56.100 0.028 0.000 1.059 2069 R CB 1.168 31.504 30.300 0.060 0.000 1.112 2069 R HN 0.112 nan 8.270 nan 0.000 0.517 2070 P HA 0.032 nan 4.420 nan 0.000 0.267 2070 P C -0.481 176.827 177.300 0.014 0.000 1.200 2070 P CA 0.129 63.240 63.100 0.019 0.000 0.772 2070 P CB 0.879 32.598 31.700 0.032 0.000 0.855 2071 G N 0.268 109.053 108.800 -0.024 0.000 2.727 2071 G HA2 0.585 4.545 3.960 0.001 0.000 0.289 2071 G HA3 0.585 4.545 3.960 0.001 0.000 0.289 2071 G C -1.860 172.987 174.900 -0.087 0.000 1.418 2071 G CA -0.609 44.454 45.100 -0.061 0.000 0.818 2071 G HN 0.362 nan 8.290 nan 0.000 0.486 2072 V N 0.189 120.037 119.914 -0.111 0.000 2.623 2072 V HA 0.370 4.491 4.120 0.001 0.000 0.304 2072 V C -1.469 174.573 176.094 -0.087 0.000 1.054 2072 V CA -0.846 61.419 62.300 -0.058 0.000 0.882 2072 V CB 1.508 33.337 31.823 0.012 0.000 1.002 2072 V HN 0.640 nan 8.190 nan 0.000 0.424 2073 Y N 3.880 124.212 120.300 0.052 0.000 2.336 2073 Y HA 0.554 5.105 4.550 0.002 0.000 0.335 2073 Y C 0.463 176.387 175.900 0.041 0.000 1.046 2073 Y CA -0.362 57.769 58.100 0.051 0.000 1.198 2073 Y CB 1.575 40.061 38.460 0.042 0.000 1.182 2073 Y HN 0.563 nan 8.280 nan 0.000 0.502 2074 V N 1.126 121.157 119.914 0.194 0.000 2.919 2074 V HA 0.653 4.773 4.120 0.001 0.000 0.316 2074 V C -0.827 175.331 176.094 0.106 0.000 1.077 2074 V CA -1.113 61.259 62.300 0.119 0.000 0.977 2074 V CB 2.092 33.962 31.823 0.078 0.000 1.039 2074 V HN 0.706 nan 8.190 nan 0.000 0.441 2075 Q N 2.255 122.095 119.800 0.066 0.000 2.333 2075 Q HA 0.700 5.041 4.340 0.001 0.000 0.267 2075 Q C -1.303 174.711 176.000 0.023 0.000 1.012 2075 Q CA -0.509 55.322 55.803 0.046 0.000 0.824 2075 Q CB 2.696 31.451 28.738 0.029 0.000 1.290 2075 Q HN 0.793 nan 8.270 nan 0.000 0.449 2076 I N 1.901 122.484 120.570 0.022 0.000 2.433 2076 I HA 0.460 4.631 4.170 0.001 0.000 0.292 2076 I C -0.816 175.292 176.117 -0.014 0.000 1.001 2076 I CA -0.800 60.499 61.300 -0.002 0.000 1.119 2076 I CB 1.534 39.540 38.000 0.010 0.000 1.289 2076 I HN 0.579 nan 8.210 nan 0.000 0.438 2077 C N 3.872 123.138 119.300 -0.057 0.000 2.441 2077 C HA 0.822 5.282 4.460 0.001 0.000 0.318 2077 C C 0.328 175.227 174.990 -0.151 0.000 1.222 2077 C CA -0.524 58.438 59.018 -0.093 0.000 1.474 2077 C CB 1.180 28.851 27.740 -0.115 0.000 2.125 2077 C HN 0.868 nan 8.230 nan 0.000 0.479 2078 T N -1.242 113.220 114.554 -0.154 0.000 2.841 2078 T HA 0.604 4.955 4.350 0.001 0.000 0.296 2078 T C 0.326 174.897 174.700 -0.215 0.000 1.166 2078 T CA -0.463 61.517 62.100 -0.200 0.000 1.007 2078 T CB 0.829 69.652 68.868 -0.075 0.000 1.253 2078 T HN 0.199 nan 8.240 nan 0.000 0.511 2079 F N 0.986 120.901 119.950 -0.058 0.000 2.128 2079 F HA 0.258 4.785 4.527 0.001 0.000 0.295 2079 F C 1.488 177.226 175.800 -0.104 0.000 1.100 2079 F CA 0.807 58.765 58.000 -0.069 0.000 1.260 2079 F CB -0.064 38.904 39.000 -0.054 0.000 1.009 2079 F HN 0.245 nan 8.300 nan 0.000 0.476 2080 K N -0.273 120.197 120.400 0.117 0.000 2.138 2080 K HA 0.124 4.444 4.320 0.001 0.000 0.263 2080 K C 0.308 176.937 176.600 0.048 0.000 0.965 2080 K CA -0.664 55.652 56.287 0.048 0.000 0.868 2080 K CB 0.775 33.323 32.500 0.080 0.000 1.083 2080 K HN -0.022 nan 8.250 nan 0.000 0.443 2081 Y N 1.448 121.785 120.300 0.062 0.000 2.256 2081 Y HA -0.244 4.306 4.550 0.001 0.000 0.288 2081 Y C 2.394 178.316 175.900 0.037 0.000 1.155 2081 Y CA 1.847 59.975 58.100 0.046 0.000 1.203 2081 Y CB -0.136 38.350 38.460 0.044 0.000 0.980 2081 Y HN 0.783 nan 8.280 nan 0.000 0.530 2082 E N -0.254 120.065 120.200 0.198 0.000 2.106 2082 E HA -0.136 4.215 4.350 0.001 0.000 0.192 2082 E C 2.200 178.853 176.600 0.088 0.000 0.984 2082 E CA 1.146 57.618 56.400 0.120 0.000 0.806 2082 E CB -0.249 29.505 29.700 0.090 0.000 0.750 2082 E HN 0.277 nan 8.360 nan 0.000 0.458 2083 A N 0.782 123.649 122.820 0.080 0.000 1.968 2083 A HA -0.029 4.292 4.320 0.001 0.000 0.217 2083 A C 2.124 179.735 177.584 0.046 0.000 1.169 2083 A CA 0.943 53.010 52.037 0.049 0.000 0.638 2083 A CB -0.528 18.495 19.000 0.037 0.000 0.812 2083 A HN 0.391 nan 8.150 nan 0.000 0.446 2084 L N 0.270 121.539 121.223 0.076 0.000 2.083 2084 L HA -0.131 4.209 4.340 0.001 0.000 0.209 2084 L C 2.182 179.098 176.870 0.077 0.000 1.083 2084 L CA 2.552 57.441 54.840 0.081 0.000 0.752 2084 L CB -0.566 41.583 42.059 0.151 0.000 0.899 2084 L HN 0.609 nan 8.230 nan 0.000 0.433 2085 E N -0.694 119.557 120.200 0.086 0.000 2.107 2085 E HA -0.219 4.132 4.350 0.001 0.000 0.191 2085 E C 1.879 178.508 176.600 0.049 0.000 0.982 2085 E CA 1.182 57.622 56.400 0.067 0.000 0.809 2085 E CB -0.001 29.736 29.700 0.062 0.000 0.756 2085 E HN 0.667 nan 8.360 nan 0.000 0.459 2086 E N 0.224 120.449 120.200 0.041 0.000 2.051 2086 E HA -0.206 4.145 4.350 0.001 0.000 0.192 2086 E C 2.310 178.921 176.600 0.018 0.000 0.991 2086 E CA 0.852 57.268 56.400 0.026 0.000 0.799 2086 E CB -0.045 29.668 29.700 0.021 0.000 0.748 2086 E HN 0.204 nan 8.360 nan 0.000 0.449 2087 Q N 0.705 120.513 119.800 0.013 0.000 2.061 2087 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 2087 Q C 2.447 178.454 176.000 0.011 0.000 0.984 2087 Q CA 1.109 56.912 55.803 0.001 0.000 0.846 2087 Q CB -0.373 28.357 28.738 -0.014 0.000 0.902 2087 Q HN 0.370 nan 8.270 nan 0.000 0.421 2088 L N -0.010 121.229 121.223 0.027 0.000 2.012 2088 L HA -0.221 4.120 4.340 0.001 0.000 0.210 2088 L C 2.303 179.193 176.870 0.034 0.000 1.073 2088 L CA 0.749 55.611 54.840 0.038 0.000 0.748 2088 L CB -0.451 41.641 42.059 0.055 0.000 0.891 2088 L HN 0.236 nan 8.230 nan 0.000 0.431 2089 L N -0.246 120.997 121.223 0.032 0.000 2.056 2089 L HA -0.182 4.159 4.340 0.001 0.000 0.207 2089 L C 2.521 179.392 176.870 0.001 0.000 1.078 2089 L CA 1.822 56.678 54.840 0.026 0.000 0.749 2089 L CB -1.017 41.060 42.059 0.029 0.000 0.901 2089 L HN 0.358 nan 8.230 nan 0.000 0.433 2090 E N -0.948 119.252 120.200 -0.001 0.000 2.072 2090 E HA -0.137 4.214 4.350 0.001 0.000 0.190 2090 E C 2.261 178.848 176.600 -0.021 0.000 0.982 2090 E CA 0.570 56.962 56.400 -0.013 0.000 0.803 2090 E CB 0.050 29.747 29.700 -0.004 0.000 0.755 2090 E HN 0.416 nan 8.360 nan 0.000 0.453 2091 R N 0.395 120.890 120.500 -0.010 0.000 2.073 2091 R HA -0.023 4.318 4.340 0.001 0.000 0.229 2091 R C 2.373 178.662 176.300 -0.018 0.000 1.120 2091 R CA 0.929 57.024 56.100 -0.009 0.000 0.967 2091 R CB -0.166 30.135 30.300 0.001 0.000 0.862 2091 R HN 0.212 nan 8.270 nan 0.000 0.436 2092 I N -0.299 120.266 120.570 -0.010 0.000 2.277 2092 I HA -0.077 4.093 4.170 0.001 0.000 0.243 2092 I C 2.536 178.605 176.117 -0.079 0.000 1.094 2092 I CA 1.175 62.469 61.300 -0.009 0.000 1.393 2092 I CB -0.625 37.402 38.000 0.045 0.000 1.078 2092 I HN 0.244 nan 8.210 nan 0.000 0.417 2093 G N 0.179 108.928 108.800 -0.085 0.000 2.422 2093 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 2093 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 2093 G C 1.583 176.339 174.900 -0.239 0.000 1.146 2093 G CA 0.551 45.547 45.100 -0.172 0.000 0.769 2093 G HN 0.283 nan 8.290 nan 0.000 0.547 2094 Q N -1.030 118.675 119.800 -0.158 0.000 2.352 2094 Q HA 0.152 4.493 4.340 0.001 0.000 0.212 2094 Q C 1.819 177.743 176.000 -0.127 0.000 0.888 2094 Q CA 0.329 56.043 55.803 -0.148 0.000 0.934 2094 Q CB 0.530 29.215 28.738 -0.089 0.000 1.093 2094 Q HN 0.556 nan 8.270 nan 0.000 0.523 2095 C N -1.361 117.874 119.300 -0.110 0.000 3.724 2095 C HA 0.322 4.782 4.460 0.001 0.000 0.327 2095 C C 2.054 176.996 174.990 -0.079 0.000 1.490 2095 C CA -0.272 58.701 59.018 -0.074 0.000 1.825 2095 C CB 0.337 28.059 27.740 -0.031 0.000 2.613 2095 C HN 0.119 nan 8.230 nan 0.000 0.692 2096 V N 0.229 120.068 119.914 -0.126 0.000 2.996 2096 V HA 0.113 4.233 4.120 0.001 0.000 0.235 2096 V C 1.934 177.825 176.094 -0.337 0.000 1.205 2096 V CA 0.631 62.862 62.300 -0.115 0.000 1.225 2096 V CB -0.418 31.402 31.823 -0.005 0.000 0.995 2096 V HN 0.438 nan 8.190 nan 0.000 0.484 2097 L N 1.301 122.143 121.223 -0.635 0.000 2.127 2097 L HA -0.157 4.184 4.340 0.001 0.000 0.211 2097 L C 2.382 178.819 176.870 -0.721 0.000 1.089 2097 L CA 2.353 56.431 54.840 -1.270 0.000 0.757 2097 L CB -0.224 41.187 42.059 -1.080 0.000 0.899 2097 L HN 0.623 nan 8.230 nan 0.000 0.434 2098 T N -2.774 111.521 114.554 -0.432 0.000 3.081 2098 T HA 0.339 4.690 4.350 0.001 0.000 0.255 2098 T C 0.773 175.365 174.700 -0.180 0.000 1.113 2098 T CA 0.188 62.123 62.100 -0.276 0.000 1.082 2098 T CB -0.203 68.538 68.868 -0.213 0.000 0.939 2098 T HN 0.326 nan 8.240 nan 0.000 0.506 2099 A N 2.542 125.264 122.820 -0.163 0.000 2.310 2099 A HA 0.662 4.983 4.320 0.001 0.000 0.299 2099 A C -2.694 174.839 177.584 -0.085 0.000 1.147 2099 A CA -2.045 49.950 52.037 -0.071 0.000 0.818 2099 A CB 0.248 19.245 19.000 -0.005 0.000 1.096 2099 A HN 0.171 nan 8.150 nan 0.000 0.495 2100 P HA 0.128 nan 4.420 nan 0.000 0.267 2100 P C 0.647 177.832 177.300 -0.193 0.000 1.209 2100 P CA 1.694 64.628 63.100 -0.278 0.000 0.763 2100 P CB 0.462 31.757 31.700 -0.676 0.000 0.816 2101 T N -1.125 113.347 114.554 -0.136 0.000 6.885 2101 T HA -0.207 4.144 4.350 0.001 0.000 0.286 2101 T C 0.298 175.030 174.700 0.053 0.000 2.119 2101 T CA 1.375 63.443 62.100 -0.053 0.000 3.358 2101 T CB -2.990 65.818 68.868 -0.101 0.000 1.764 2101 T HN 0.603 nan 8.240 nan 0.000 1.202 2102 T N -0.111 114.504 114.554 0.103 0.000 2.898 2102 T HA 0.703 5.054 4.350 0.001 0.000 0.301 2102 T C 0.214 175.025 174.700 0.184 0.000 1.049 2102 T CA -0.272 61.925 62.100 0.160 0.000 1.095 2102 T CB 1.651 70.629 68.868 0.184 0.000 0.976 2102 T HN 1.633 nan 8.240 nan 0.000 0.539 2103 A N 1.768 124.617 122.820 0.048 0.000 2.401 2103 A HA 0.739 5.060 4.320 0.001 0.000 0.310 2103 A C -0.123 177.283 177.584 -0.296 0.000 1.075 2103 A CA -0.925 50.971 52.037 -0.236 0.000 0.746 2103 A CB 1.632 20.458 19.000 -0.291 0.000 1.277 2103 A HN 1.548 nan 8.150 nan 0.000 0.425 2104 V N -0.626 118.989 119.914 -0.498 0.000 2.435 2104 V HA 0.916 5.036 4.120 0.001 0.000 0.290 2104 V C -0.848 174.844 176.094 -0.670 0.000 1.030 2104 V CA -0.668 61.420 62.300 -0.355 0.000 0.881 2104 V CB 0.540 32.321 31.823 -0.071 0.000 0.983 2104 V HN 0.630 nan 8.190 nan 0.000 0.445 2105 F N 1.693 121.641 119.950 -0.002 0.000 2.618 2105 F HA 0.551 5.078 4.527 -0.000 0.000 0.332 2105 F C 0.349 176.178 175.800 0.048 0.000 1.061 2105 F CA -0.997 57.008 58.000 0.008 0.000 0.974 2105 F CB 1.603 40.599 39.000 -0.006 0.000 1.310 2105 F HN 0.564 nan 8.300 nan 0.000 0.491 2106 N N 0.395 119.256 118.700 0.268 0.000 2.430 2106 N HA 0.198 4.938 4.740 0.001 0.000 0.265 2106 N C 0.728 176.363 175.510 0.208 0.000 1.100 2106 N CA 0.181 53.343 53.050 0.186 0.000 0.961 2106 N CB 1.591 40.164 38.487 0.144 0.000 1.075 2106 N HN 0.785 nan 8.380 nan 0.000 0.478 2107 G N 2.839 111.763 108.800 0.206 0.000 2.551 2107 G HA2 0.060 4.020 3.960 0.001 0.000 0.216 2107 G HA3 0.060 4.020 3.960 0.001 0.000 0.216 2107 G C 0.563 175.534 174.900 0.119 0.000 1.137 2107 G CA 0.189 45.429 45.100 0.234 0.000 0.798 2107 G HN 0.549 nan 8.290 nan 0.000 0.536 2108 L N 1.751 123.033 121.223 0.097 0.000 2.581 2108 L HA 0.283 4.624 4.340 0.001 0.000 0.241 2108 L C -1.503 175.402 176.870 0.059 0.000 1.265 2108 L CA -1.470 53.407 54.840 0.062 0.000 0.954 2108 L CB 2.299 44.392 42.059 0.058 0.000 1.269 2108 L HN -0.016 nan 8.230 nan 0.000 0.475 2109 P HA -0.103 nan 4.420 nan 0.000 0.222 2109 P C 0.721 178.042 177.300 0.035 0.000 1.153 2109 P CA 0.968 64.099 63.100 0.053 0.000 0.798 2109 P CB 0.495 32.228 31.700 0.055 0.000 0.796 2110 E N -0.361 119.857 120.200 0.028 0.000 2.419 2110 E HA 0.294 4.644 4.350 0.001 0.000 0.190 2110 E C 0.294 176.907 176.600 0.021 0.000 1.040 2110 E CA -0.459 55.953 56.400 0.021 0.000 0.900 2110 E CB 0.243 29.953 29.700 0.016 0.000 1.054 2110 E HN 0.180 nan 8.360 nan 0.000 0.462 2111 A N 0.973 123.807 122.820 0.024 0.000 2.302 2111 A HA 0.110 4.430 4.320 0.001 0.000 0.285 2111 A C 1.048 178.638 177.584 0.010 0.000 1.105 2111 A CA -0.365 51.686 52.037 0.024 0.000 0.816 2111 A CB 0.900 19.919 19.000 0.032 0.000 1.067 2111 A HN 0.226 nan 8.150 nan 0.000 0.489 2112 E N 0.717 120.922 120.200 0.009 0.000 2.046 2112 E HA -0.081 4.269 4.350 0.001 0.000 0.190 2112 E C 0.258 176.830 176.600 -0.047 0.000 0.982 2112 E CA 0.623 57.018 56.400 -0.008 0.000 0.800 2112 E CB 0.051 29.755 29.700 0.007 0.000 0.756 2112 E HN 0.426 nan 8.360 nan 0.000 0.449 2113 K N 1.673 122.021 120.400 -0.087 0.000 2.297 2113 K HA 0.110 4.430 4.320 0.001 0.000 0.286 2113 K C -0.837 175.685 176.600 -0.129 0.000 1.053 2113 K CA 0.171 56.335 56.287 -0.204 0.000 0.940 2113 K CB 1.165 33.368 32.500 -0.494 0.000 1.019 2113 K HN 0.140 nan 8.250 nan 0.000 0.475 2114 Q N 2.915 122.649 119.800 -0.110 0.000 2.337 2114 Q HA 0.225 4.565 4.340 0.001 0.000 0.260 2114 Q C -1.182 174.796 176.000 -0.037 0.000 0.982 2114 Q CA -0.497 55.279 55.803 -0.046 0.000 0.734 2114 Q CB 1.846 30.573 28.738 -0.017 0.000 1.272 2114 Q HN 0.495 nan 8.270 nan 0.000 0.461 2115 D N 2.456 122.848 120.400 -0.014 0.000 2.295 2115 D HA 0.038 4.678 4.640 0.001 0.000 0.248 2115 D C 0.498 176.833 176.300 0.058 0.000 1.154 2115 D CA -0.233 53.776 54.000 0.015 0.000 0.857 2115 D CB 0.981 41.798 40.800 0.029 0.000 1.117 2115 D HN 0.366 nan 8.370 nan 0.000 0.468 2116 N N 2.374 121.118 118.700 0.074 0.000 3.254 2116 N HA -0.034 4.706 4.740 0.001 0.000 0.308 2116 N C 0.736 176.366 175.510 0.199 0.000 1.281 2116 N CA -0.252 52.880 53.050 0.135 0.000 1.212 2116 N CB 0.320 38.871 38.487 0.106 0.000 1.478 2116 N HN 0.077 nan 8.380 nan 0.000 0.548 2117 V N 0.465 120.472 119.914 0.156 0.000 2.515 2117 V HA -0.089 4.032 4.120 0.001 0.000 0.250 2117 V C 2.475 178.673 176.094 0.173 0.000 1.058 2117 V CA 2.032 64.421 62.300 0.148 0.000 1.064 2117 V CB -0.949 30.941 31.823 0.111 0.000 0.675 2117 V HN 0.621 nan 8.190 nan 0.000 0.461 2118 G N -0.520 108.401 108.800 0.201 0.000 2.418 2118 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 2118 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 2118 G C 1.554 176.569 174.900 0.191 0.000 1.158 2118 G CA 1.038 46.278 45.100 0.234 0.000 0.771 2118 G HN 0.494 nan 8.290 nan 0.000 0.545 2119 F N 1.375 121.362 119.950 0.063 0.000 2.102 2119 F HA 0.022 4.549 4.527 0.001 0.000 0.298 2119 F C 2.597 178.383 175.800 -0.022 0.000 1.105 2119 F CA 2.008 59.883 58.000 -0.209 0.000 1.239 2119 F CB -0.090 38.934 39.000 0.039 0.000 0.991 2119 F HN 0.098 nan 8.300 nan 0.000 0.474 2120 K N 0.302 120.820 120.400 0.196 0.000 2.097 2120 K HA -0.085 4.236 4.320 0.001 0.000 0.206 2120 K C 2.022 178.717 176.600 0.157 0.000 1.049 2120 K CA 1.445 57.840 56.287 0.180 0.000 0.933 2120 K CB -0.297 32.306 32.500 0.173 0.000 0.717 2120 K HN 0.374 nan 8.250 nan 0.000 0.442 2121 L N 1.047 122.327 121.223 0.095 0.000 2.217 2121 L HA -0.131 4.209 4.340 0.001 0.000 0.211 2121 L C 2.283 179.200 176.870 0.078 0.000 1.107 2121 L CA 1.101 56.008 54.840 0.111 0.000 0.783 2121 L CB -0.496 41.661 42.059 0.163 0.000 0.919 2121 L HN 0.253 nan 8.230 nan 0.000 0.442 2122 K N 0.427 120.743 120.400 -0.141 0.000 2.211 2122 K HA -0.201 4.120 4.320 0.001 0.000 0.204 2122 K C 1.729 178.120 176.600 -0.347 0.000 1.047 2122 K CA 1.613 57.709 56.287 -0.318 0.000 0.935 2122 K CB -0.427 31.609 32.500 -0.773 0.000 0.728 2122 K HN 0.151 nan 8.250 nan 0.000 0.452 2123 F N 0.436 120.271 119.950 -0.192 0.000 2.546 2123 F HA 0.000 4.528 4.527 0.002 0.000 0.298 2123 F C 1.843 177.630 175.800 -0.022 0.000 1.120 2123 F CA 0.403 58.320 58.000 -0.138 0.000 1.456 2123 F CB -0.326 38.577 39.000 -0.161 0.000 1.088 2123 F HN 0.017 nan 8.300 nan 0.000 0.572 2124 F N 0.942 120.907 119.950 0.026 0.000 2.269 2124 F HA -0.105 4.422 4.527 0.000 0.000 0.301 2124 F C 2.228 178.019 175.800 -0.015 0.000 1.082 2124 F CA 0.931 58.937 58.000 0.009 0.000 1.360 2124 F CB -0.467 38.532 39.000 -0.001 0.000 1.041 2124 F HN -0.068 nan 8.300 nan 0.000 0.512 2125 A N -0.487 122.291 122.820 -0.070 0.000 2.119 2125 A HA -0.072 4.249 4.320 0.001 0.000 0.217 2125 A C 0.904 178.384 177.584 -0.173 0.000 1.153 2125 A CA 1.092 53.044 52.037 -0.142 0.000 0.692 2125 A CB -0.684 18.276 19.000 -0.067 0.000 0.799 2125 A HN 0.464 nan 8.150 nan 0.000 0.458 2126 D N -3.404 116.907 120.400 -0.147 0.000 2.716 2126 D HA -0.105 4.535 4.640 0.001 0.000 0.239 2126 D C 0.915 177.160 176.300 -0.093 0.000 1.125 2126 D CA 1.889 55.823 54.000 -0.109 0.000 0.681 2126 D CB -1.449 39.263 40.800 -0.147 0.000 1.070 2126 D HN 1.342 nan 8.370 nan 0.000 0.432 2127 G N -0.869 107.868 108.800 -0.105 0.000 2.284 2127 G HA2 -0.296 3.665 3.960 0.001 0.000 0.216 2127 G HA3 -0.296 3.665 3.960 0.001 0.000 0.216 2127 G C 0.924 175.776 174.900 -0.081 0.000 1.009 2127 G CA 0.432 45.481 45.100 -0.084 0.000 0.625 2127 G HN 0.350 nan 8.290 nan 0.000 0.501 2128 M N 2.309 121.858 119.600 -0.085 0.000 2.495 2128 M HA 0.238 4.718 4.480 0.001 0.000 0.237 2128 M C 1.173 177.440 176.300 -0.055 0.000 1.131 2128 M CA 0.259 55.522 55.300 -0.062 0.000 1.032 2128 M CB -0.633 31.932 32.600 -0.058 0.000 1.513 2128 M HN 0.660 nan 8.290 nan 0.000 0.488 2129 E N 0.926 121.076 120.200 -0.083 0.000 2.392 2129 E HA 0.368 4.719 4.350 0.001 0.000 0.256 2129 E C -0.714 175.870 176.600 -0.027 0.000 1.145 2129 E CA 0.122 56.481 56.400 -0.067 0.000 0.929 2129 E CB 1.161 30.765 29.700 -0.161 0.000 0.998 2129 E HN -0.006 nan 8.360 nan 0.000 0.442 2130 S N -0.243 115.474 115.700 0.027 0.000 2.794 2130 S HA 0.424 4.894 4.470 0.001 0.000 0.299 2130 S C -1.093 173.562 174.600 0.092 0.000 1.179 2130 S CA -0.843 57.382 58.200 0.043 0.000 0.838 2130 S CB 1.841 65.049 63.200 0.013 0.000 1.206 2130 S HN 0.653 nan 8.310 nan 0.000 0.523 2131 E N 0.167 120.381 120.200 0.022 0.000 2.317 2131 E HA 0.729 5.079 4.350 0.001 0.000 0.270 2131 E C -1.403 175.147 176.600 -0.083 0.000 0.885 2131 E CA -0.448 55.903 56.400 -0.081 0.000 0.760 2131 E CB 1.686 31.330 29.700 -0.094 0.000 1.227 2131 E HN 0.648 nan 8.360 nan 0.000 0.434 2132 T N 1.538 116.019 114.554 -0.122 0.000 2.696 2132 T HA 0.389 4.740 4.350 0.001 0.000 0.291 2132 T C -1.203 173.449 174.700 -0.081 0.000 1.095 2132 T CA -1.001 61.054 62.100 -0.075 0.000 1.026 2132 T CB 1.509 70.349 68.868 -0.048 0.000 1.390 2132 T HN 0.356 nan 8.240 nan 0.000 0.513 2133 Q N 0.975 120.749 119.800 -0.044 0.000 2.310 2133 Q HA 0.459 4.800 4.340 0.001 0.000 0.270 2133 Q C -1.324 174.673 176.000 -0.004 0.000 1.025 2133 Q CA -0.693 55.093 55.803 -0.029 0.000 0.772 2133 Q CB 2.319 31.040 28.738 -0.029 0.000 1.253 2133 Q HN 0.457 nan 8.270 nan 0.000 0.450 2134 I N 1.479 122.064 120.570 0.026 0.000 2.328 2134 I HA 0.282 4.452 4.170 0.001 0.000 0.287 2134 I C 0.641 176.740 176.117 -0.031 0.000 1.012 2134 I CA -0.435 60.880 61.300 0.024 0.000 1.195 2134 I CB 0.619 38.693 38.000 0.123 0.000 1.350 2134 I HN 0.809 nan 8.210 nan 0.000 0.464 2135 A N 5.071 127.861 122.820 -0.051 0.000 2.667 2135 A HA -0.044 4.277 4.320 0.001 0.000 0.298 2135 A C 1.455 179.011 177.584 -0.047 0.000 1.483 2135 A CA 1.031 53.028 52.037 -0.067 0.000 0.738 2135 A CB -1.882 17.044 19.000 -0.124 0.000 1.067 2135 A HN 2.023 nan 8.150 nan 0.000 0.451 2136 G N -1.594 107.189 108.800 -0.029 0.000 2.196 2136 G HA2 -0.325 3.636 3.960 0.001 0.000 0.268 2136 G HA3 -0.325 3.636 3.960 0.001 0.000 0.268 2136 G C 0.235 175.127 174.900 -0.013 0.000 0.975 2136 G CA 1.133 46.220 45.100 -0.020 0.000 0.648 2136 G HN 1.307 nan 8.290 nan 0.000 0.538 2137 R N -0.060 120.437 120.500 -0.005 0.000 2.604 2137 R HA 0.515 4.855 4.340 0.001 0.000 0.287 2137 R C 0.104 176.407 176.300 0.006 0.000 0.970 2137 R CA -0.795 55.317 56.100 0.020 0.000 0.946 2137 R CB 1.409 31.749 30.300 0.066 0.000 1.127 2137 R HN 0.206 nan 8.270 nan 0.000 0.473 2138 K N 2.354 122.742 120.400 -0.020 0.000 2.276 2138 K HA 0.288 4.609 4.320 0.001 0.000 0.285 2138 K C -1.137 175.368 176.600 -0.158 0.000 1.062 2138 K CA -0.319 55.906 56.287 -0.103 0.000 0.918 2138 K CB 0.874 33.303 32.500 -0.119 0.000 1.055 2138 K HN 0.275 nan 8.250 nan 0.000 0.477 2139 V N 5.476 125.255 119.914 -0.225 0.000 2.709 2139 V HA 0.297 4.418 4.120 0.001 0.000 0.308 2139 V C -1.196 174.696 176.094 -0.337 0.000 1.062 2139 V CA -0.930 61.241 62.300 -0.214 0.000 0.901 2139 V CB 1.380 33.156 31.823 -0.078 0.000 1.003 2139 V HN 0.653 nan 8.190 nan 0.000 0.425 2140 Y N 2.478 122.730 120.300 -0.080 0.000 2.308 2140 Y HA 0.475 5.026 4.550 0.001 0.000 0.329 2140 Y C 0.561 176.382 175.900 -0.132 0.000 1.111 2140 Y CA -0.376 57.671 58.100 -0.088 0.000 1.179 2140 Y CB 1.260 39.671 38.460 -0.081 0.000 1.201 2140 Y HN 0.453 nan 8.280 nan 0.000 0.483 2141 K N 2.496 122.930 120.400 0.057 0.000 2.211 2141 K HA 0.513 4.834 4.320 0.001 0.000 0.275 2141 K C -1.323 175.303 176.600 0.043 0.000 1.024 2141 K CA -0.531 55.759 56.287 0.006 0.000 0.887 2141 K CB 1.148 33.647 32.500 -0.002 0.000 1.084 2141 K HN 0.364 nan 8.250 nan 0.000 0.463 2142 V N 5.934 125.893 119.914 0.076 0.000 2.304 2142 V HA 0.234 4.355 4.120 0.001 0.000 0.278 2142 V C -2.358 173.825 176.094 0.148 0.000 1.018 2142 V CA -2.366 60.018 62.300 0.141 0.000 0.814 2142 V CB 1.018 33.018 31.823 0.295 0.000 1.021 2142 V HN 0.649 nan 8.190 nan 0.000 0.440 2143 P HA 0.286 nan 4.420 nan 0.000 0.267 2143 P C -0.316 177.034 177.300 0.083 0.000 1.209 2143 P CA 0.492 63.629 63.100 0.060 0.000 0.763 2143 P CB 0.409 32.118 31.700 0.014 0.000 0.816 2144 I N -1.286 119.339 120.570 0.092 0.000 3.343 2144 I HA 0.397 4.568 4.170 0.001 0.000 0.315 2144 I C 1.187 177.333 176.117 0.049 0.000 1.153 2144 I CA -1.305 60.056 61.300 0.101 0.000 0.952 2144 I CB 1.170 39.255 38.000 0.141 0.000 1.287 2144 I HN 0.060 nan 8.210 nan 0.000 0.472 2145 M N 0.563 120.186 119.600 0.038 0.000 2.267 2145 M HA -0.150 4.330 4.480 0.001 0.000 0.263 2145 M C 1.803 178.100 176.300 -0.004 0.000 1.063 2145 M CA 2.249 57.555 55.300 0.010 0.000 1.090 2145 M CB -0.497 32.105 32.600 0.004 0.000 1.392 2145 M HN 0.796 nan 8.290 nan 0.000 0.422 2146 E N -0.442 119.754 120.200 -0.006 0.000 2.385 2146 E HA 0.256 4.607 4.350 0.001 0.000 0.194 2146 E C 1.065 177.658 176.600 -0.012 0.000 1.013 2146 E CA 0.614 56.998 56.400 -0.026 0.000 0.866 2146 E CB 0.358 30.027 29.700 -0.050 0.000 0.832 2146 E HN 0.406 nan 8.360 nan 0.000 0.500 2147 G N 0.438 109.245 108.800 0.012 0.000 2.366 2147 G HA2 -0.063 3.898 3.960 0.001 0.000 0.190 2147 G HA3 -0.063 3.898 3.960 0.001 0.000 0.190 2147 G C -1.792 173.135 174.900 0.045 0.000 1.299 2147 G CA -0.330 44.782 45.100 0.018 0.000 1.056 2147 G HN 0.093 nan 8.290 nan 0.000 0.468 2148 D N 0.752 121.180 120.400 0.046 0.000 2.280 2148 D HA 0.511 5.151 4.640 0.001 0.000 0.236 2148 D C -0.885 175.475 176.300 0.099 0.000 1.082 2148 D CA -0.093 53.944 54.000 0.062 0.000 0.834 2148 D CB 1.730 42.542 40.800 0.021 0.000 1.100 2148 D HN 0.258 nan 8.370 nan 0.000 0.486 2149 F N 3.256 123.202 119.950 -0.006 0.000 2.445 2149 F HA 0.254 4.782 4.527 0.001 0.000 0.359 2149 F C -0.992 174.791 175.800 -0.029 0.000 1.101 2149 F CA -0.646 57.340 58.000 -0.023 0.000 1.177 2149 F CB 0.398 39.388 39.000 -0.017 0.000 1.110 2149 F HN 0.099 nan 8.300 nan 0.000 0.522 2150 L N 6.272 127.034 121.223 -0.768 0.000 2.282 2150 L HA 0.682 5.023 4.340 0.001 0.000 0.288 2150 L C -0.414 175.813 176.870 -1.072 0.000 1.033 2150 L CA -0.581 53.843 54.840 -0.693 0.000 0.807 2150 L CB 1.252 43.075 42.059 -0.393 0.000 1.209 2150 L HN 0.770 nan 8.230 nan 0.000 0.423 2151 A N 3.157 125.562 122.820 -0.692 0.000 2.385 2151 A HA 0.493 4.814 4.320 0.001 0.000 0.290 2151 A C -0.314 177.150 177.584 -0.200 0.000 1.094 2151 A CA -0.626 51.115 52.037 -0.493 0.000 0.729 2151 A CB 0.681 19.516 19.000 -0.276 0.000 1.194 2151 A HN 0.681 nan 8.150 nan 0.000 0.442 2152 E N 1.750 121.812 120.200 -0.230 0.000 2.436 2152 E HA -0.033 4.318 4.350 0.001 0.000 0.262 2152 E C 0.960 177.609 176.600 0.082 0.000 1.063 2152 E CA 0.323 56.699 56.400 -0.040 0.000 0.944 2152 E CB 0.576 30.311 29.700 0.059 0.000 0.950 2152 E HN 0.755 nan 8.360 nan 0.000 0.444 2153 E N 2.786 123.054 120.200 0.114 0.000 2.038 2153 E HA -0.206 4.145 4.350 0.001 0.000 0.195 2153 E C -0.083 176.648 176.600 0.218 0.000 1.000 2153 E CA 1.088 57.647 56.400 0.264 0.000 0.803 2153 E CB 0.194 30.005 29.700 0.185 0.000 0.750 2153 E HN 0.410 nan 8.360 nan 0.000 0.448 2154 N N -0.440 118.342 118.700 0.136 0.000 2.402 2154 N HA 0.415 5.156 4.740 0.001 0.000 0.294 2154 N C -0.910 174.657 175.510 0.095 0.000 1.203 2154 N CA -0.465 52.650 53.050 0.107 0.000 0.838 2154 N CB 1.837 40.368 38.487 0.074 0.000 1.306 2154 N HN 0.003 nan 8.380 nan 0.000 0.510 2155 I N 0.305 120.924 120.570 0.081 0.000 2.468 2155 I HA 0.308 4.478 4.170 0.001 0.000 0.285 2155 I C 0.484 176.638 176.117 0.062 0.000 1.039 2155 I CA -0.765 60.584 61.300 0.081 0.000 1.074 2155 I CB 1.946 39.997 38.000 0.084 0.000 1.228 2155 I HN 0.419 nan 8.210 nan 0.000 0.436 2156 G N 4.539 113.379 108.800 0.066 0.000 2.390 2156 G HA2 0.655 4.616 3.960 0.001 0.000 0.270 2156 G HA3 0.655 4.616 3.960 0.001 0.000 0.270 2156 G C -0.552 174.387 174.900 0.064 0.000 1.211 2156 G CA -0.169 44.960 45.100 0.049 0.000 0.842 2156 G HN 0.716 nan 8.290 nan 0.000 0.519 2157 A N 1.691 124.545 122.820 0.057 0.000 2.401 2157 A HA 0.859 5.179 4.320 0.001 0.000 0.310 2157 A C -0.252 177.447 177.584 0.192 0.000 1.075 2157 A CA -0.758 51.365 52.037 0.144 0.000 0.746 2157 A CB 1.282 20.412 19.000 0.216 0.000 1.277 2157 A HN 1.370 nan 8.150 nan 0.000 0.425 2158 I N -1.992 118.722 120.570 0.240 0.000 3.174 2158 I HA 0.858 5.028 4.170 0.001 0.000 0.313 2158 I C 0.083 176.322 176.117 0.203 0.000 1.155 2158 I CA -1.313 60.126 61.300 0.232 0.000 0.977 2158 I CB 2.243 40.317 38.000 0.123 0.000 1.248 2158 I HN 0.667 nan 8.210 nan 0.000 0.453 2159 A N 2.155 125.069 122.820 0.156 0.000 2.376 2159 A HA 0.706 5.026 4.320 0.001 0.000 0.298 2159 A C 0.300 177.918 177.584 0.058 0.000 1.271 2159 A CA 0.334 52.409 52.037 0.064 0.000 0.926 2159 A CB -1.006 18.043 19.000 0.082 0.000 1.141 2159 A HN 1.073 nan 8.150 nan 0.000 0.539 2160 G N 1.128 109.942 108.800 0.024 0.000 2.828 2160 G HA2 0.649 4.609 3.960 0.001 0.000 0.244 2160 G HA3 0.649 4.609 3.960 0.001 0.000 0.244 2160 G C -0.527 174.343 174.900 -0.049 0.000 1.365 2160 G CA -0.787 44.305 45.100 -0.013 0.000 1.041 2160 G HN 0.646 nan 8.290 nan 0.000 0.560 2161 I N 0.255 120.767 120.570 -0.097 0.000 2.509 2161 I HA 0.595 4.765 4.170 0.001 0.000 0.293 2161 I C -0.034 176.083 176.117 0.000 0.000 1.020 2161 I CA -0.838 60.388 61.300 -0.123 0.000 1.088 2161 I CB 2.364 40.176 38.000 -0.314 0.000 1.267 2161 I HN 0.513 nan 8.210 nan 0.000 0.430 2162 A N 3.912 126.800 122.820 0.113 0.000 2.318 2162 A HA 0.772 5.093 4.320 0.001 0.000 0.317 2162 A C 0.480 178.233 177.584 0.282 0.000 1.159 2162 A CA 0.039 52.160 52.037 0.140 0.000 0.799 2162 A CB 1.043 20.090 19.000 0.078 0.000 1.194 2162 A HN 1.219 nan 8.150 nan 0.000 0.479 2163 G N 1.700 110.629 108.800 0.214 0.000 2.141 2163 G HA2 0.152 4.113 3.960 0.001 0.000 0.164 2163 G HA3 0.152 4.113 3.960 0.001 0.000 0.164 2163 G C 0.659 175.702 174.900 0.238 0.000 1.009 2163 G CA 0.080 45.351 45.100 0.285 0.000 0.677 2163 G HN 1.790 nan 8.290 nan 0.000 0.508 2164 G N 0.133 108.997 108.800 0.108 0.000 2.491 2164 G HA2 0.584 4.545 3.960 0.001 0.000 0.238 2164 G HA3 0.584 4.545 3.960 0.001 0.000 0.238 2164 G C 0.039 174.978 174.900 0.065 0.000 1.277 2164 G CA 0.683 45.782 45.100 -0.003 0.000 0.851 2164 G HN 1.759 nan 8.290 nan 0.000 0.573 2165 N N -0.983 117.796 118.700 0.130 0.000 3.043 2165 N HA 0.646 5.386 4.740 0.001 0.000 0.243 2165 N C -1.051 174.656 175.510 0.328 0.000 1.347 2165 N CA -1.059 52.085 53.050 0.156 0.000 0.896 2165 N CB 1.208 39.782 38.487 0.145 0.000 1.501 2165 N HN 0.694 nan 8.380 nan 0.000 0.504 2166 F N -2.179 117.882 119.950 0.186 0.000 2.631 2166 F HA 0.824 5.351 4.527 0.001 0.000 0.308 2166 F C -1.858 174.205 175.800 0.439 0.000 1.097 2166 F CA -1.268 56.888 58.000 0.261 0.000 0.952 2166 F CB 1.192 40.298 39.000 0.178 0.000 1.307 2166 F HN 0.261 nan 8.300 nan 0.000 0.450 2167 F N 2.682 122.735 119.950 0.172 0.000 2.422 2167 F HA 0.661 5.189 4.527 0.001 0.000 0.333 2167 F C -0.116 175.849 175.800 0.274 0.000 1.095 2167 F CA -1.965 56.071 58.000 0.061 0.000 1.038 2167 F CB 1.734 40.755 39.000 0.036 0.000 1.156 2167 F HN 0.360 nan 8.300 nan 0.000 0.483 2168 I N 3.917 124.666 120.570 0.298 0.000 2.355 2168 I HA 0.274 4.445 4.170 0.001 0.000 0.288 2168 I C -1.069 175.182 176.117 0.223 0.000 0.999 2168 I CA -0.484 61.022 61.300 0.344 0.000 1.163 2168 I CB 0.880 39.042 38.000 0.269 0.000 1.316 2168 I HN 0.248 nan 8.210 nan 0.000 0.454 2169 F N 4.278 124.332 119.950 0.174 0.000 2.405 2169 F HA 0.651 5.178 4.527 0.001 0.000 0.355 2169 F C 0.920 176.783 175.800 0.104 0.000 1.121 2169 F CA -0.562 57.517 58.000 0.132 0.000 1.112 2169 F CB 1.511 40.588 39.000 0.128 0.000 1.126 2169 F HN 0.397 nan 8.300 nan 0.000 0.481 2170 G N 1.595 110.521 108.800 0.210 0.000 2.533 2170 G HA2 0.340 4.301 3.960 0.001 0.000 0.304 2170 G HA3 0.340 4.301 3.960 0.001 0.000 0.304 2170 G C -0.054 174.919 174.900 0.121 0.000 1.263 2170 G CA -0.766 44.428 45.100 0.156 0.000 0.964 2170 G HN 0.526 nan 8.290 nan 0.000 0.479 2171 D N -1.249 119.208 120.400 0.096 0.000 2.312 2171 D HA -0.007 4.634 4.640 0.001 0.000 0.211 2171 D C 1.129 177.464 176.300 0.059 0.000 0.964 2171 D CA 0.981 55.025 54.000 0.073 0.000 0.877 2171 D CB 0.086 40.920 40.800 0.058 0.000 0.924 2171 D HN 0.460 nan 8.370 nan 0.000 0.515 2172 S N -2.319 113.419 115.700 0.064 0.000 2.638 2172 S HA 0.257 4.727 4.470 0.001 0.000 0.274 2172 S C 0.618 175.264 174.600 0.077 0.000 1.157 2172 S CA -0.778 57.456 58.200 0.056 0.000 0.826 2172 S CB 2.063 65.292 63.200 0.049 0.000 1.139 2172 S HN -0.028 nan 8.310 nan 0.000 0.474 2173 Q N -0.420 119.426 119.800 0.076 0.000 2.084 2173 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 2173 Q C 1.304 177.411 176.000 0.179 0.000 0.978 2173 Q CA 1.559 57.443 55.803 0.136 0.000 0.844 2173 Q CB -0.233 28.570 28.738 0.108 0.000 0.898 2173 Q HN 0.739 nan 8.270 nan 0.000 0.426 2174 M N -0.578 119.080 119.600 0.097 0.000 2.419 2174 M HA -0.031 4.450 4.480 0.001 0.000 0.264 2174 M C 1.960 178.290 176.300 0.050 0.000 1.082 2174 M CA 1.041 56.376 55.300 0.058 0.000 1.119 2174 M CB -0.870 31.750 32.600 0.033 0.000 1.398 2174 M HN 0.126 nan 8.290 nan 0.000 0.453 2175 T N 1.458 116.053 114.554 0.068 0.000 2.674 2175 T HA -0.052 4.298 4.350 0.001 0.000 0.265 2175 T C 1.949 176.703 174.700 0.090 0.000 1.039 2175 T CA 1.808 63.949 62.100 0.068 0.000 1.150 2175 T CB -0.218 68.693 68.868 0.072 0.000 0.864 2175 T HN 0.468 nan 8.240 nan 0.000 0.427 2176 A N 1.011 123.919 122.820 0.146 0.000 1.930 2176 A HA 0.028 4.348 4.320 0.001 0.000 0.217 2176 A C 2.220 179.895 177.584 0.152 0.000 1.175 2176 A CA 1.103 53.271 52.037 0.218 0.000 0.627 2176 A CB -0.723 18.457 19.000 0.301 0.000 0.815 2176 A HN 0.386 nan 8.150 nan 0.000 0.443 2177 L N -0.143 121.083 121.223 0.004 0.000 2.056 2177 L HA -0.085 4.256 4.340 0.001 0.000 0.207 2177 L C 2.438 179.177 176.870 -0.218 0.000 1.078 2177 L CA 2.762 57.341 54.840 -0.435 0.000 0.749 2177 L CB -1.134 40.670 42.059 -0.425 0.000 0.901 2177 L HN 0.368 nan 8.230 nan 0.000 0.433 2178 T N -0.083 114.419 114.554 -0.086 0.000 2.788 2178 T HA -0.151 4.200 4.350 0.001 0.000 0.268 2178 T C 1.924 176.613 174.700 -0.018 0.000 1.044 2178 T CA 1.273 63.345 62.100 -0.046 0.000 1.139 2178 T CB -0.544 68.316 68.868 -0.012 0.000 0.867 2178 T HN 0.507 nan 8.240 nan 0.000 0.454 2179 A N 1.565 124.394 122.820 0.015 0.000 1.902 2179 A HA 0.115 4.435 4.320 0.001 0.000 0.217 2179 A C 2.668 180.287 177.584 0.059 0.000 1.181 2179 A CA 1.895 53.968 52.037 0.060 0.000 0.623 2179 A CB -1.159 17.905 19.000 0.107 0.000 0.818 2179 A HN 0.514 nan 8.150 nan 0.000 0.443 2180 A N -0.334 122.482 122.820 -0.006 0.000 1.902 2180 A HA -0.194 4.126 4.320 0.001 0.000 0.217 2180 A C 2.055 179.603 177.584 -0.060 0.000 1.181 2180 A CA 1.857 53.859 52.037 -0.057 0.000 0.623 2180 A CB -0.603 18.278 19.000 -0.198 0.000 0.818 2180 A HN 0.699 nan 8.150 nan 0.000 0.443 2181 E N -0.011 120.135 120.200 -0.089 0.000 2.085 2181 E HA -0.166 4.185 4.350 0.001 0.000 0.194 2181 E C 2.080 178.672 176.600 -0.014 0.000 0.994 2181 E CA 1.226 57.589 56.400 -0.063 0.000 0.801 2181 E CB -0.290 29.365 29.700 -0.075 0.000 0.743 2181 E HN 0.520 nan 8.360 nan 0.000 0.453 2182 A N 0.995 123.819 122.820 0.006 0.000 1.933 2182 A HA -0.053 4.268 4.320 0.001 0.000 0.218 2182 A C 2.350 179.967 177.584 0.056 0.000 1.175 2182 A CA 1.716 53.770 52.037 0.028 0.000 0.628 2182 A CB -0.630 18.391 19.000 0.035 0.000 0.814 2182 A HN 0.434 nan 8.150 nan 0.000 0.444 2183 A N -0.658 122.216 122.820 0.090 0.000 1.897 2183 A HA 0.076 4.397 4.320 0.001 0.000 0.215 2183 A C 2.190 179.841 177.584 0.111 0.000 1.181 2183 A CA 1.549 53.681 52.037 0.157 0.000 0.620 2183 A CB -0.810 18.379 19.000 0.316 0.000 0.821 2183 A HN 0.345 nan 8.150 nan 0.000 0.443 2184 V N 0.749 120.695 119.914 0.054 0.000 2.343 2184 V HA -0.234 3.886 4.120 0.001 0.000 0.247 2184 V C 2.118 178.230 176.094 0.030 0.000 1.051 2184 V CA 2.274 64.592 62.300 0.030 0.000 1.036 2184 V CB -0.768 31.052 31.823 -0.004 0.000 0.654 2184 V HN 0.486 nan 8.190 nan 0.000 0.451 2185 D N -0.103 120.312 120.400 0.024 0.000 2.144 2185 D HA -0.126 4.514 4.640 0.001 0.000 0.199 2185 D C 2.290 178.607 176.300 0.029 0.000 0.984 2185 D CA 1.833 55.845 54.000 0.021 0.000 0.834 2185 D CB -0.318 40.490 40.800 0.014 0.000 0.955 2185 D HN 0.411 nan 8.370 nan 0.000 0.465 2186 T N 0.928 115.506 114.554 0.040 0.000 2.777 2186 T HA -0.030 4.321 4.350 0.001 0.000 0.266 2186 T C 2.225 176.949 174.700 0.041 0.000 1.040 2186 T CA 0.493 62.618 62.100 0.041 0.000 1.141 2186 T CB -0.099 68.800 68.868 0.051 0.000 0.868 2186 T HN 0.155 nan 8.240 nan 0.000 0.444 2187 I N 1.349 121.951 120.570 0.053 0.000 2.493 2187 I HA -0.071 4.099 4.170 0.001 0.000 0.254 2187 I C 2.691 178.829 176.117 0.035 0.000 1.160 2187 I CA 0.663 61.991 61.300 0.048 0.000 1.445 2187 I CB -0.321 37.719 38.000 0.066 0.000 1.086 2187 I HN 0.172 nan 8.210 nan 0.000 0.433 2188 A N 0.168 123.008 122.820 0.034 0.000 2.168 2188 A HA -0.118 4.202 4.320 0.001 0.000 0.215 2188 A C 2.025 179.630 177.584 0.034 0.000 1.152 2188 A CA 0.999 53.056 52.037 0.033 0.000 0.716 2188 A CB -0.437 18.580 19.000 0.029 0.000 0.794 2188 A HN 0.429 nan 8.150 nan 0.000 0.465 2189 E N -0.705 119.513 120.200 0.030 0.000 2.435 2189 E HA 0.140 4.491 4.350 0.001 0.000 0.195 2189 E C -0.241 176.373 176.600 0.023 0.000 1.029 2189 E CA -0.039 56.378 56.400 0.028 0.000 0.865 2189 E CB 0.065 29.779 29.700 0.023 0.000 0.833 2189 E HN 0.525 nan 8.360 nan 0.000 0.510 2190 L N 1.525 122.759 121.223 0.018 0.000 2.309 2190 L HA 0.271 4.611 4.340 0.001 0.000 0.282 2190 L C 0.186 177.051 176.870 -0.008 0.000 1.036 2190 L CA -0.616 54.227 54.840 0.004 0.000 0.806 2190 L CB 1.480 43.540 42.059 0.001 0.000 1.220 2190 L HN -0.014 nan 8.230 nan 0.000 0.429 2191 E N 1.314 121.498 120.200 -0.027 0.000 2.373 2191 E HA 0.333 4.683 4.350 0.001 0.000 0.267 2191 E C 0.893 177.458 176.600 -0.058 0.000 1.032 2191 E CA 0.934 57.297 56.400 -0.061 0.000 0.889 2191 E CB 0.721 30.372 29.700 -0.082 0.000 0.984 2191 E HN 0.744 nan 8.360 nan 0.000 0.425 2192 G N 2.957 111.713 108.800 -0.072 0.000 2.213 2192 G HA2 -0.244 3.716 3.960 0.001 0.000 0.226 2192 G HA3 -0.244 3.716 3.960 0.001 0.000 0.226 2192 G C 0.115 174.991 174.900 -0.041 0.000 0.992 2192 G CA 0.247 45.312 45.100 -0.059 0.000 0.632 2192 G HN 0.870 nan 8.290 nan 0.000 0.511 2193 T N -0.572 113.964 114.554 -0.029 0.000 2.893 2193 T HA 0.775 5.126 4.350 0.001 0.000 0.291 2193 T C -0.069 174.631 174.700 0.000 0.000 1.028 2193 T CA -0.262 61.825 62.100 -0.020 0.000 0.995 2193 T CB 2.653 71.507 68.868 -0.024 0.000 1.051 2193 T HN 1.358 nan 8.240 nan 0.000 0.470 2194 I N -1.001 119.572 120.570 0.004 0.000 3.067 2194 I HA 0.865 5.036 4.170 0.001 0.000 0.312 2194 I C -0.534 175.597 176.117 0.024 0.000 1.073 2194 I CA -1.219 60.092 61.300 0.018 0.000 1.016 2194 I CB 2.657 40.669 38.000 0.018 0.000 1.227 2194 I HN 0.785 nan 8.210 nan 0.000 0.456 2195 T N -0.553 114.021 114.554 0.033 0.000 3.068 2195 T HA 0.457 4.808 4.350 0.001 0.000 0.364 2195 T C -2.047 172.696 174.700 0.072 0.000 1.161 2195 T CA -1.414 60.717 62.100 0.050 0.000 1.155 2195 T CB 0.969 69.858 68.868 0.035 0.000 1.060 2195 T HN 0.571 nan 8.240 nan 0.000 0.513 2196 P HA 0.088 nan 4.420 nan 0.000 0.229 2196 P C 0.278 177.559 177.300 -0.031 0.000 1.160 2196 P CA -0.038 63.077 63.100 0.024 0.000 0.777 2196 P CB 0.056 31.753 31.700 -0.005 0.000 0.814 2197 F N 1.599 121.530 119.950 -0.032 0.000 2.435 2197 F HA 0.269 4.796 4.527 0.001 0.000 0.316 2197 F C -1.550 174.236 175.800 -0.023 0.000 1.220 2197 F CA -2.215 55.768 58.000 -0.028 0.000 1.241 2197 F CB -0.828 38.146 39.000 -0.043 0.000 1.234 2197 F HN -0.268 nan 8.300 nan 0.000 0.569 2198 P HA 0.156 nan 4.420 nan 0.000 0.266 2198 P C 0.261 177.588 177.300 0.046 0.000 1.215 2198 P CA 0.806 63.933 63.100 0.045 0.000 0.763 2198 P CB 0.259 31.986 31.700 0.044 0.000 0.806 2199 G N 3.449 112.260 108.800 0.017 0.000 2.168 2199 G HA2 -0.165 3.795 3.960 0.001 0.000 0.257 2199 G HA3 -0.165 3.795 3.960 0.001 0.000 0.257 2199 G C 0.920 175.822 174.900 0.003 0.000 0.997 2199 G CA 0.511 45.611 45.100 -0.001 0.000 0.708 2199 G HN 1.009 nan 8.290 nan 0.000 0.520 2200 G N -1.637 107.185 108.800 0.037 0.000 2.179 2200 G HA2 -0.225 3.735 3.960 0.001 0.000 0.260 2200 G HA3 -0.225 3.735 3.960 0.001 0.000 0.260 2200 G C 0.245 175.169 174.900 0.041 0.000 0.977 2200 G CA 0.658 45.785 45.100 0.045 0.000 0.641 2200 G HN 1.449 nan 8.290 nan 0.000 0.533 2201 I N 0.644 121.247 120.570 0.054 0.000 2.465 2201 I HA 0.473 4.644 4.170 0.001 0.000 0.291 2201 I C 0.112 176.253 176.117 0.040 0.000 1.014 2201 I CA -1.291 59.998 61.300 -0.019 0.000 1.093 2201 I CB 2.367 40.304 38.000 -0.105 0.000 1.267 2201 I HN -0.123 nan 8.210 nan 0.000 0.431 2202 V N 5.625 125.443 119.914 -0.161 0.000 2.368 2202 V HA 0.288 4.409 4.120 0.001 0.000 0.266 2202 V C 0.972 177.001 176.094 -0.107 0.000 1.045 2202 V CA -0.100 62.003 62.300 -0.329 0.000 0.899 2202 V CB 0.963 32.288 31.823 -0.830 0.000 1.006 2202 V HN 0.978 nan 8.190 nan 0.000 0.470 2203 A N 3.627 126.463 122.820 0.026 0.000 2.147 2203 A HA 0.056 4.377 4.320 0.001 0.000 0.211 2203 A C 2.103 179.600 177.584 -0.146 0.000 1.160 2203 A CA 1.036 53.078 52.037 0.008 0.000 0.781 2203 A CB 0.014 19.109 19.000 0.157 0.000 0.842 2203 A HN 0.821 nan 8.150 nan 0.000 0.475 2204 S N -0.845 114.787 115.700 -0.112 0.000 2.339 2204 S HA 0.450 4.920 4.470 0.001 0.000 0.213 2204 S C 1.290 175.791 174.600 -0.165 0.000 1.033 2204 S CA 0.697 58.842 58.200 -0.093 0.000 0.950 2204 S CB -1.164 62.038 63.200 0.004 0.000 0.893 2204 S HN 1.992 nan 8.310 nan 0.000 0.492 2205 G N 0.754 109.415 108.800 -0.231 0.000 2.755 2205 G HA2 0.190 4.151 3.960 0.001 0.000 0.686 2205 G HA3 0.190 4.151 3.960 0.001 0.000 0.686 2205 G C -0.381 174.462 174.900 -0.095 0.000 1.427 2205 G CA -0.277 44.671 45.100 -0.254 0.000 0.873 2205 G HN 1.770 nan 8.290 nan 0.000 0.580 2206 S N -0.426 115.243 115.700 -0.051 0.000 2.570 2206 S HA 0.870 5.340 4.470 0.001 0.000 0.270 2206 S C -0.600 174.043 174.600 0.072 0.000 1.149 2206 S CA -0.009 58.212 58.200 0.036 0.000 0.837 2206 S CB 2.341 65.585 63.200 0.074 0.000 1.124 2206 S HN 1.651 nan 8.310 nan 0.000 0.465 2207 K N -0.101 120.359 120.400 0.100 0.000 2.281 2207 K HA 0.717 5.038 4.320 0.001 0.000 0.242 2207 K C -0.491 176.210 176.600 0.168 0.000 0.971 2207 K CA -0.709 55.659 56.287 0.135 0.000 0.834 2207 K CB 1.824 34.391 32.500 0.111 0.000 1.181 2207 K HN 0.434 nan 8.250 nan 0.000 0.435 2208 S N 0.727 116.572 115.700 0.241 0.000 2.488 2208 S HA 0.439 4.910 4.470 0.001 0.000 0.278 2208 S C 0.528 175.191 174.600 0.105 0.000 1.259 2208 S CA 1.077 59.388 58.200 0.186 0.000 1.061 2208 S CB -0.813 62.524 63.200 0.229 0.000 0.910 2208 S HN 1.020 nan 8.310 nan 0.000 0.491 2209 G N 3.759 112.596 108.800 0.062 0.000 2.512 2209 G HA2 0.224 4.185 3.960 0.001 0.000 0.254 2209 G HA3 0.224 4.185 3.960 0.001 0.000 0.254 2209 G C -0.149 174.756 174.900 0.009 0.000 1.199 2209 G CA -0.252 44.865 45.100 0.028 0.000 0.941 2209 G HN 1.857 nan 8.290 nan 0.000 0.569 2210 A N -1.872 120.943 122.820 -0.009 0.000 2.601 2210 A HA 0.758 5.078 4.320 0.001 0.000 0.291 2210 A C 0.412 177.967 177.584 -0.048 0.000 1.075 2210 A CA 0.631 52.644 52.037 -0.040 0.000 0.671 2210 A CB 0.704 19.652 19.000 -0.087 0.000 1.277 2210 A HN 0.899 nan 8.150 nan 0.000 0.417 2211 N N -0.136 118.516 118.700 -0.079 0.000 2.432 2211 N HA 0.028 4.768 4.740 0.001 0.000 0.174 2211 N C 1.199 176.633 175.510 -0.126 0.000 1.037 2211 N CA 1.391 54.391 53.050 -0.082 0.000 0.892 2211 N CB 0.433 38.872 38.487 -0.080 0.000 1.049 2211 N HN 0.707 nan 8.380 nan 0.000 0.442 2212 K N -0.371 119.890 120.400 -0.232 0.000 2.363 2212 K HA 0.111 4.431 4.320 0.001 0.000 0.215 2212 K C -0.375 176.061 176.600 -0.273 0.000 1.179 2212 K CA 0.016 56.099 56.287 -0.339 0.000 0.856 2212 K CB 0.165 32.273 32.500 -0.654 0.000 1.371 2212 K HN -0.137 nan 8.250 nan 0.000 0.455 2213 Y N 3.240 123.448 120.300 -0.153 0.000 2.636 2213 Y HA 0.218 4.768 4.550 0.001 0.000 0.334 2213 Y C 0.436 176.006 175.900 -0.549 0.000 1.286 2213 Y CA -0.375 57.468 58.100 -0.428 0.000 1.688 2213 Y CB 0.363 38.416 38.460 -0.677 0.000 1.662 2213 Y HN 0.046 nan 8.280 nan 0.000 0.465 2214 K N 0.924 121.270 120.400 -0.090 0.000 2.504 2214 K HA -0.092 4.229 4.320 0.001 0.000 0.195 2214 K C 0.902 177.507 176.600 0.007 0.000 1.036 2214 K CA 0.764 57.033 56.287 -0.030 0.000 0.984 2214 K CB -0.236 32.294 32.500 0.051 0.000 0.788 2214 K HN 0.665 nan 8.250 nan 0.000 0.488 2215 F N -0.381 119.627 119.950 0.097 0.000 2.811 2215 F HA 0.192 4.719 4.527 0.001 0.000 0.301 2215 F C 0.354 176.190 175.800 0.061 0.000 1.151 2215 F CA -0.593 57.447 58.000 0.067 0.000 1.412 2215 F CB -0.146 38.887 39.000 0.056 0.000 1.113 2215 F HN -0.237 nan 8.300 nan 0.000 0.579 2216 L N 1.640 122.707 121.223 -0.259 0.000 2.334 2216 L HA 0.328 4.669 4.340 0.001 0.000 0.277 2216 L C 1.436 178.289 176.870 -0.028 0.000 1.075 2216 L CA -0.629 54.134 54.840 -0.128 0.000 0.804 2216 L CB 1.352 43.272 42.059 -0.232 0.000 1.174 2216 L HN 0.066 nan 8.230 nan 0.000 0.438 2217 K N 2.059 122.469 120.400 0.016 0.000 2.097 2217 K HA 0.179 4.499 4.320 0.001 0.000 0.205 2217 K C 0.049 176.665 176.600 0.026 0.000 1.050 2217 K CA 1.155 57.456 56.287 0.023 0.000 0.938 2217 K CB 0.272 32.790 32.500 0.030 0.000 0.718 2217 K HN 0.735 nan 8.250 nan 0.000 0.442 2218 A N -0.140 122.698 122.820 0.030 0.000 2.549 2218 A HA 0.510 4.830 4.320 0.001 0.000 0.297 2218 A C -0.825 176.782 177.584 0.039 0.000 1.061 2218 A CA -0.716 51.350 52.037 0.048 0.000 0.690 2218 A CB 1.536 20.578 19.000 0.071 0.000 1.287 2218 A HN 0.215 nan 8.150 nan 0.000 0.402 2219 T N -1.171 113.410 114.554 0.046 0.000 2.887 2219 T HA 0.811 5.162 4.350 0.001 0.000 0.292 2219 T C 0.243 174.973 174.700 0.050 0.000 1.087 2219 T CA -0.118 62.008 62.100 0.044 0.000 1.009 2219 T CB 1.274 70.163 68.868 0.034 0.000 1.203 2219 T HN 2.131 nan 8.240 nan 0.000 0.518 2220 A N 1.159 124.006 122.820 0.045 0.000 2.546 2220 A HA 0.243 4.564 4.320 0.001 0.000 0.243 2220 A C 0.457 178.075 177.584 0.057 0.000 1.063 2220 A CA -0.247 51.814 52.037 0.040 0.000 0.757 2220 A CB -0.915 18.103 19.000 0.030 0.000 0.991 2220 A HN 0.906 nan 8.150 nan 0.000 0.503 2221 N N 1.809 120.559 118.700 0.084 0.000 2.402 2221 N HA 0.035 4.775 4.740 0.001 0.000 0.259 2221 N C 1.430 177.027 175.510 0.145 0.000 1.167 2221 N CA -0.058 53.083 53.050 0.151 0.000 0.949 2221 N CB 0.470 39.118 38.487 0.269 0.000 1.212 2221 N HN 0.745 nan 8.380 nan 0.000 0.493 2222 E N 4.434 124.679 120.200 0.074 0.000 2.267 2222 E HA -0.245 4.105 4.350 0.001 0.000 0.197 2222 E C 0.694 177.294 176.600 -0.001 0.000 0.998 2222 E CA 1.105 57.523 56.400 0.029 0.000 0.830 2222 E CB -0.035 29.666 29.700 0.003 0.000 0.751 2222 E HN 0.640 nan 8.360 nan 0.000 0.491 2223 R N -0.329 120.163 120.500 -0.013 0.000 2.148 2223 R HA 0.005 4.345 4.340 0.001 0.000 0.223 2223 R C 1.015 177.077 176.300 -0.398 0.000 1.088 2223 R CA 0.888 56.858 56.100 -0.218 0.000 0.985 2223 R CB -0.220 29.890 30.300 -0.316 0.000 0.880 2223 R HN 0.244 nan 8.270 nan 0.000 0.451 2224 F N -0.791 119.170 119.950 0.019 0.000 2.668 2224 F HA 0.208 4.736 4.527 0.001 0.000 0.301 2224 F C 0.246 175.999 175.800 -0.078 0.000 1.106 2224 F CA -0.618 57.380 58.000 -0.004 0.000 1.289 2224 F CB 0.484 39.499 39.000 0.024 0.000 1.006 2224 F HN -0.189 nan 8.300 nan 0.000 0.535 2225 C N 2.651 121.977 119.300 0.045 0.000 2.200 2225 C HA 0.235 4.695 4.460 0.001 0.000 0.328 2225 C C -0.897 174.078 174.990 -0.024 0.000 1.148 2225 C CA -1.214 57.800 59.018 -0.006 0.000 1.624 2225 C CB 0.323 28.062 27.740 -0.002 0.000 2.167 2225 C HN 0.219 nan 8.230 nan 0.000 0.484 2226 P HA -0.123 nan 4.420 nan 0.000 0.217 2226 P C 1.637 178.925 177.300 -0.019 0.000 1.150 2226 P CA 1.401 64.486 63.100 -0.025 0.000 0.832 2226 P CB 0.051 31.728 31.700 -0.038 0.000 0.787 2227 S N -0.474 115.211 115.700 -0.024 0.000 2.555 2227 S HA -0.065 4.405 4.470 0.001 0.000 0.230 2227 S C 1.387 175.980 174.600 -0.011 0.000 0.978 2227 S CA 0.698 58.889 58.200 -0.016 0.000 0.934 2227 S CB -1.261 61.929 63.200 -0.016 0.000 0.766 2227 S HN 0.347 nan 8.310 nan 0.000 0.533 2228 I N -1.933 118.629 120.570 -0.013 0.000 3.817 2228 I HA 0.388 4.558 4.170 0.001 0.000 0.325 2228 I C 1.273 177.380 176.117 -0.017 0.000 1.550 2228 I CA -0.711 60.581 61.300 -0.012 0.000 1.100 2228 I CB 0.171 38.165 38.000 -0.011 0.000 1.216 2228 I HN 0.084 nan 8.210 nan 0.000 0.481 2229 K N -0.024 120.366 120.400 -0.017 0.000 2.283 2229 K HA -0.055 4.266 4.320 0.001 0.000 0.202 2229 K C 0.468 177.055 176.600 -0.020 0.000 1.048 2229 K CA 1.354 57.628 56.287 -0.022 0.000 0.948 2229 K CB -0.133 32.359 32.500 -0.015 0.000 0.742 2229 K HN 0.237 nan 8.250 nan 0.000 0.458 2230 D N 1.867 122.258 120.400 -0.014 0.000 2.348 2230 D HA -0.032 4.608 4.640 0.001 0.000 0.211 2230 D C 0.647 176.939 176.300 -0.014 0.000 0.998 2230 D CA 0.820 54.813 54.000 -0.012 0.000 0.873 2230 D CB 0.342 41.137 40.800 -0.008 0.000 0.925 2230 D HN 0.532 nan 8.370 nan 0.000 0.524 2231 K N 0.300 120.691 120.400 -0.015 0.000 2.593 2231 K HA 0.236 4.557 4.320 0.001 0.000 0.208 2231 K C -0.091 176.497 176.600 -0.020 0.000 1.051 2231 K CA -0.208 56.070 56.287 -0.015 0.000 1.111 2231 K CB 1.032 33.525 32.500 -0.011 0.000 0.849 2231 K HN -0.120 nan 8.250 nan 0.000 0.479 2232 I N 2.069 122.624 120.570 -0.025 0.000 2.503 2232 I HA 0.095 4.266 4.170 0.001 0.000 0.282 2232 I C 0.936 177.031 176.117 -0.037 0.000 1.059 2232 I CA -0.389 60.892 61.300 -0.032 0.000 1.081 2232 I CB 1.703 39.679 38.000 -0.040 0.000 1.210 2232 I HN 0.269 nan 8.210 nan 0.000 0.450 2233 E N 5.581 125.761 120.200 -0.033 0.000 2.110 2233 E HA -0.180 4.170 4.350 0.001 0.000 0.193 2233 E C 0.957 177.533 176.600 -0.041 0.000 0.988 2233 E CA 1.539 57.920 56.400 -0.032 0.000 0.804 2233 E CB 0.228 29.913 29.700 -0.025 0.000 0.745 2233 E HN 0.765 nan 8.360 nan 0.000 0.458 2234 N N 0.022 118.693 118.700 -0.049 0.000 2.455 2234 N HA -0.004 4.737 4.740 0.001 0.000 0.258 2234 N C -0.313 175.136 175.510 -0.102 0.000 1.158 2234 N CA -0.240 52.772 53.050 -0.064 0.000 0.893 2234 N CB 0.576 39.031 38.487 -0.054 0.000 1.173 2234 N HN -0.129 nan 8.380 nan 0.000 0.503 2235 T N 0.422 114.918 114.554 -0.097 0.000 2.940 2235 T HA -0.032 4.318 4.350 0.001 0.000 0.309 2235 T C 0.940 175.540 174.700 -0.167 0.000 1.056 2235 T CA 0.099 62.120 62.100 -0.132 0.000 1.137 2235 T CB 0.735 69.554 68.868 -0.082 0.000 0.976 2235 T HN 0.232 nan 8.240 nan 0.000 0.547 2236 E N 3.026 123.054 120.200 -0.286 0.000 2.474 2236 E HA 0.118 4.468 4.350 0.001 0.000 0.195 2236 E C 0.099 176.688 176.600 -0.018 0.000 1.039 2236 E CA 0.003 56.245 56.400 -0.264 0.000 0.881 2236 E CB 0.303 29.595 29.700 -0.680 0.000 0.970 2236 E HN 0.526 nan 8.360 nan 0.000 0.486 2237 I N 3.523 124.096 120.570 0.004 0.000 2.312 2237 I HA 0.214 4.385 4.170 0.001 0.000 0.291 2237 I C -2.146 174.019 176.117 0.080 0.000 1.031 2237 I CA -2.821 58.562 61.300 0.137 0.000 1.293 2237 I CB 0.148 38.194 38.000 0.075 0.000 1.403 2237 I HN -0.279 nan 8.210 nan 0.000 0.484 2238 P HA 0.104 nan 4.420 nan 0.000 0.271 2238 P C 0.679 178.007 177.300 0.046 0.000 1.233 2238 P CA -0.188 62.938 63.100 0.043 0.000 0.789 2238 P CB 0.804 32.522 31.700 0.030 0.000 0.951 2239 A N 1.742 124.577 122.820 0.024 0.000 2.019 2239 A HA -0.165 4.156 4.320 0.001 0.000 0.219 2239 A C 1.413 179.015 177.584 0.030 0.000 1.164 2239 A CA 1.869 53.918 52.037 0.021 0.000 0.644 2239 A CB -1.128 17.878 19.000 0.011 0.000 0.805 2239 A HN 0.672 nan 8.150 nan 0.000 0.449 2240 D N -0.850 119.572 120.400 0.037 0.000 2.328 2240 D HA 0.134 4.774 4.640 0.001 0.000 0.221 2240 D C -0.047 176.292 176.300 0.065 0.000 1.072 2240 D CA 0.036 54.061 54.000 0.042 0.000 0.850 2240 D CB -0.273 40.547 40.800 0.033 0.000 0.922 2240 D HN 0.120 nan 8.370 nan 0.000 0.516 2241 V N 1.068 121.034 119.914 0.087 0.000 2.459 2241 V HA 0.269 4.390 4.120 0.001 0.000 0.295 2241 V C 0.178 176.318 176.094 0.076 0.000 1.029 2241 V CA -0.705 61.667 62.300 0.120 0.000 0.874 2241 V CB 1.521 33.484 31.823 0.234 0.000 0.985 2241 V HN -0.074 nan 8.190 nan 0.000 0.438 2242 N N 2.042 120.774 118.700 0.054 0.000 2.171 2242 N HA 0.564 5.304 4.740 0.001 0.000 0.212 2242 N C -0.137 175.364 175.510 -0.015 0.000 1.184 2242 N CA 0.489 53.552 53.050 0.021 0.000 0.888 2242 N CB 1.130 39.631 38.487 0.023 0.000 1.038 2242 N HN 0.831 nan 8.380 nan 0.000 0.517 2243 A N -0.192 122.611 122.820 -0.029 0.000 2.594 2243 A HA 0.653 4.974 4.320 0.001 0.000 0.296 2243 A C -1.622 175.842 177.584 -0.200 0.000 1.061 2243 A CA -0.475 51.484 52.037 -0.130 0.000 0.689 2243 A CB 1.091 20.038 19.000 -0.089 0.000 1.280 2243 A HN -0.116 nan 8.150 nan 0.000 0.406 2244 V N 1.596 121.273 119.914 -0.396 0.000 2.656 2244 V HA 0.637 4.758 4.120 0.001 0.000 0.307 2244 V C -1.383 174.310 176.094 -0.668 0.000 1.051 2244 V CA -0.473 61.535 62.300 -0.487 0.000 0.893 2244 V CB 1.672 33.136 31.823 -0.597 0.000 0.999 2244 V HN 0.812 nan 8.190 nan 0.000 0.426 2245 Y N 1.630 121.761 120.300 -0.283 0.000 2.462 2245 Y HA 0.569 5.120 4.550 0.001 0.000 0.346 2245 Y C 0.123 175.748 175.900 -0.459 0.000 0.976 2245 Y CA -0.683 57.224 58.100 -0.322 0.000 1.044 2245 Y CB 2.025 40.361 38.460 -0.207 0.000 1.230 2245 Y HN 0.665 nan 8.280 nan 0.000 0.455 2246 E N 2.829 122.762 120.200 -0.444 0.000 2.195 2246 E HA 0.599 4.950 4.350 0.001 0.000 0.271 2246 E C -1.562 174.747 176.600 -0.484 0.000 0.923 2246 E CA -0.640 55.376 56.400 -0.640 0.000 0.790 2246 E CB 1.213 30.305 29.700 -1.015 0.000 1.155 2246 E HN 0.640 nan 8.360 nan 0.000 0.402 2247 I N 4.228 124.462 120.570 -0.560 0.000 2.354 2247 I HA 0.212 4.383 4.170 0.001 0.000 0.286 2247 I C -0.657 175.272 176.117 -0.314 0.000 1.007 2247 I CA -0.843 60.178 61.300 -0.465 0.000 1.167 2247 I CB 1.706 39.320 38.000 -0.643 0.000 1.320 2247 I HN 0.293 nan 8.210 nan 0.000 0.458 2248 V N 7.776 127.572 119.914 -0.197 0.000 2.509 2248 V HA 0.402 4.522 4.120 0.001 0.000 0.284 2248 V C 0.109 176.210 176.094 0.012 0.000 1.047 2248 V CA -0.279 61.986 62.300 -0.059 0.000 0.952 2248 V CB 1.493 33.315 31.823 -0.002 0.000 0.988 2248 V HN 0.455 nan 8.190 nan 0.000 0.469 2249 I N 4.662 125.245 120.570 0.021 0.000 2.447 2249 I HA 0.452 4.623 4.170 0.001 0.000 0.287 2249 I C -0.505 175.614 176.117 0.003 0.000 1.023 2249 I CA -0.509 60.795 61.300 0.007 0.000 1.083 2249 I CB 1.815 39.805 38.000 -0.017 0.000 1.245 2249 I HN 0.511 nan 8.210 nan 0.000 0.434 2250 N N 3.705 122.408 118.700 0.006 0.000 2.466 2250 N HA 0.848 5.588 4.740 0.001 0.000 0.294 2250 N C -0.206 175.286 175.510 -0.030 0.000 1.129 2250 N CA -0.475 52.571 53.050 -0.006 0.000 0.931 2250 N CB 2.236 40.722 38.487 -0.001 0.000 1.193 2250 N HN 0.830 nan 8.380 nan 0.000 0.500 2251 G N -0.763 108.011 108.800 -0.044 0.000 2.623 2251 G HA2 0.352 4.312 3.960 0.001 0.000 0.290 2251 G HA3 0.352 4.312 3.960 0.001 0.000 0.290 2251 G C 0.134 175.006 174.900 -0.046 0.000 1.437 2251 G CA -0.625 44.445 45.100 -0.050 0.000 0.798 2251 G HN 0.395 nan 8.290 nan 0.000 0.488 2252 L N -0.462 120.739 121.223 -0.037 0.000 2.162 2252 L HA 0.243 4.584 4.340 0.001 0.000 0.205 2252 L C 0.772 177.628 176.870 -0.023 0.000 1.086 2252 L CA 1.177 56.004 54.840 -0.022 0.000 0.778 2252 L CB -0.260 41.788 42.059 -0.020 0.000 0.928 2252 L HN 0.735 nan 8.230 nan 0.000 0.446 2253 D N -3.158 117.226 120.400 -0.026 0.000 2.664 2253 D HA 0.097 4.737 4.640 0.001 0.000 0.292 2253 D C 0.283 176.593 176.300 0.017 0.000 1.214 2253 D CA -0.706 53.290 54.000 -0.007 0.000 0.932 2253 D CB 0.614 41.423 40.800 0.014 0.000 1.420 2253 D HN -0.176 nan 8.370 nan 0.000 0.471 2254 E N -0.525 119.728 120.200 0.088 0.000 2.106 2254 E HA -0.152 4.198 4.350 0.001 0.000 0.192 2254 E C 1.045 177.742 176.600 0.162 0.000 0.984 2254 E CA 1.181 57.729 56.400 0.247 0.000 0.806 2254 E CB 0.065 29.930 29.700 0.276 0.000 0.750 2254 E HN 0.436 nan 8.360 nan 0.000 0.458 2255 E N 0.465 120.714 120.200 0.081 0.000 2.085 2255 E HA -0.183 4.168 4.350 0.001 0.000 0.194 2255 E C 2.172 178.771 176.600 -0.001 0.000 0.994 2255 E CA 1.712 58.136 56.400 0.039 0.000 0.801 2255 E CB -0.248 29.465 29.700 0.021 0.000 0.743 2255 E HN 0.224 nan 8.360 nan 0.000 0.453 2256 S N -0.102 115.587 115.700 -0.018 0.000 2.425 2256 S HA 0.020 4.490 4.470 0.001 0.000 0.225 2256 S C 2.056 176.607 174.600 -0.082 0.000 1.024 2256 S CA 0.351 58.525 58.200 -0.044 0.000 0.951 2256 S CB -0.277 62.898 63.200 -0.042 0.000 0.796 2256 S HN 0.153 nan 8.310 nan 0.000 0.498 2257 I N 1.740 122.230 120.570 -0.134 0.000 2.315 2257 I HA -0.138 4.032 4.170 0.001 0.000 0.248 2257 I C 2.579 178.515 176.117 -0.302 0.000 1.117 2257 I CA 1.197 62.328 61.300 -0.281 0.000 1.404 2257 I CB -0.287 37.384 38.000 -0.549 0.000 1.071 2257 I HN 0.316 nan 8.210 nan 0.000 0.419 2258 K N 1.021 121.303 120.400 -0.197 0.000 2.057 2258 K HA -0.106 4.214 4.320 0.001 0.000 0.206 2258 K C 2.276 178.808 176.600 -0.113 0.000 1.050 2258 K CA 1.444 57.665 56.287 -0.110 0.000 0.935 2258 K CB -0.216 32.297 32.500 0.023 0.000 0.715 2258 K HN 0.267 nan 8.250 nan 0.000 0.439 2259 A N 1.535 124.305 122.820 -0.083 0.000 1.933 2259 A HA -0.108 4.212 4.320 0.001 0.000 0.218 2259 A C 2.350 179.898 177.584 -0.059 0.000 1.175 2259 A CA 1.822 53.817 52.037 -0.070 0.000 0.628 2259 A CB -0.593 18.380 19.000 -0.045 0.000 0.814 2259 A HN 0.333 nan 8.150 nan 0.000 0.444 2260 A N -0.577 122.211 122.820 -0.054 0.000 1.873 2260 A HA -0.059 4.262 4.320 0.001 0.000 0.215 2260 A C 2.257 179.853 177.584 0.020 0.000 1.186 2260 A CA 1.703 53.735 52.037 -0.009 0.000 0.616 2260 A CB -0.525 18.469 19.000 -0.009 0.000 0.823 2260 A HN 0.504 nan 8.150 nan 0.000 0.442 2261 M N -0.686 118.902 119.600 -0.021 0.000 2.086 2261 M HA -0.173 4.308 4.480 0.001 0.000 0.261 2261 M C 2.311 178.498 176.300 -0.189 0.000 1.067 2261 M CA 2.123 57.402 55.300 -0.036 0.000 1.116 2261 M CB -0.302 32.270 32.600 -0.047 0.000 1.348 2261 M HN 0.479 nan 8.290 nan 0.000 0.407 2262 K N 0.472 120.763 120.400 -0.182 0.000 2.026 2262 K HA -0.144 4.177 4.320 0.001 0.000 0.208 2262 K C 1.958 178.525 176.600 -0.056 0.000 1.048 2262 K CA 1.568 57.730 56.287 -0.208 0.000 0.929 2262 K CB -0.104 32.222 32.500 -0.291 0.000 0.713 2262 K HN 0.280 nan 8.250 nan 0.000 0.439 2263 A N 0.663 123.457 122.820 -0.044 0.000 1.898 2263 A HA -0.037 4.284 4.320 0.001 0.000 0.216 2263 A C 2.364 179.954 177.584 0.009 0.000 1.181 2263 A CA 1.779 53.816 52.037 0.000 0.000 0.620 2263 A CB -1.124 17.880 19.000 0.008 0.000 0.819 2263 A HN 0.555 nan 8.150 nan 0.000 0.442 2264 G N -0.084 108.724 108.800 0.014 0.000 2.422 2264 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 2264 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 2264 G C 1.523 176.381 174.900 -0.070 0.000 1.146 2264 G CA 1.093 46.264 45.100 0.117 0.000 0.769 2264 G HN 0.464 nan 8.290 nan 0.000 0.547 2265 I N 0.424 120.705 120.570 -0.480 0.000 2.202 2265 I HA -0.130 4.040 4.170 0.001 0.000 0.242 2265 I C 2.674 178.724 176.117 -0.112 0.000 1.091 2265 I CA 1.041 62.065 61.300 -0.460 0.000 1.368 2265 I CB -0.057 37.712 38.000 -0.385 0.000 1.058 2265 I HN 0.063 nan 8.210 nan 0.000 0.410 2266 K N 0.843 121.232 120.400 -0.018 0.000 2.209 2266 K HA -0.110 4.210 4.320 0.001 0.000 0.204 2266 K C 2.106 178.709 176.600 0.006 0.000 1.048 2266 K CA 1.463 57.754 56.287 0.006 0.000 0.940 2266 K CB -0.209 32.327 32.500 0.060 0.000 0.729 2266 K HN 0.339 nan 8.250 nan 0.000 0.451 2267 A N 1.528 124.362 122.820 0.024 0.000 1.903 2267 A HA 0.085 4.406 4.320 0.001 0.000 0.213 2267 A C 2.423 180.041 177.584 0.057 0.000 1.185 2267 A CA 1.267 53.329 52.037 0.042 0.000 0.628 2267 A CB -0.405 18.630 19.000 0.058 0.000 0.830 2267 A HN 0.259 nan 8.150 nan 0.000 0.446 2268 A N 0.194 123.068 122.820 0.090 0.000 1.940 2268 A HA -0.051 4.269 4.320 0.001 0.000 0.219 2268 A C 2.136 179.771 177.584 0.085 0.000 1.176 2268 A CA 2.039 54.153 52.037 0.129 0.000 0.631 2268 A CB -1.194 17.958 19.000 0.253 0.000 0.814 2268 A HN 1.182 nan 8.150 nan 0.000 0.446 2269 V N -1.676 118.265 119.914 0.044 0.000 3.510 2269 V HA -0.037 4.083 4.120 0.001 0.000 0.270 2269 V C 1.871 177.971 176.094 0.011 0.000 1.201 2269 V CA 1.911 64.223 62.300 0.019 0.000 1.166 2269 V CB -1.643 30.161 31.823 -0.033 0.000 0.825 2269 V HN 0.659 nan 8.190 nan 0.000 0.484 2270 T N -1.975 112.589 114.554 0.017 0.000 3.088 2270 T HA 0.183 4.534 4.350 0.001 0.000 0.259 2270 T C 0.651 175.363 174.700 0.020 0.000 1.122 2270 T CA 0.348 62.456 62.100 0.013 0.000 1.095 2270 T CB -0.344 68.532 68.868 0.013 0.000 0.930 2270 T HN 0.327 nan 8.240 nan 0.000 0.508 2271 V N 5.100 125.032 119.914 0.031 0.000 2.432 2271 V HA 0.310 4.431 4.120 0.001 0.000 0.271 2271 V C -2.003 174.112 176.094 0.034 0.000 1.046 2271 V CA -2.243 60.077 62.300 0.033 0.000 0.945 2271 V CB 0.700 32.549 31.823 0.043 0.000 0.992 2271 V HN 0.349 nan 8.190 nan 0.000 0.471 2272 P HA 0.213 nan 4.420 nan 0.000 0.267 2272 P C 0.802 178.123 177.300 0.035 0.000 1.209 2272 P CA 0.974 64.089 63.100 0.026 0.000 0.763 2272 P CB 1.052 32.764 31.700 0.019 0.000 0.816 2273 G N 1.721 110.545 108.800 0.039 0.000 2.231 2273 G HA2 -0.179 3.782 3.960 0.001 0.000 0.206 2273 G HA3 -0.179 3.782 3.960 0.001 0.000 0.206 2273 G C -0.108 174.834 174.900 0.070 0.000 0.996 2273 G CA -0.254 44.876 45.100 0.050 0.000 0.645 2273 G HN 0.518 nan 8.290 nan 0.000 0.498 2274 V N 2.179 122.137 119.914 0.074 0.000 2.521 2274 V HA 0.365 4.485 4.120 0.001 0.000 0.286 2274 V C 1.267 177.416 176.094 0.092 0.000 1.034 2274 V CA 0.414 62.776 62.300 0.103 0.000 1.045 2274 V CB 1.521 33.407 31.823 0.105 0.000 0.974 2274 V HN 0.216 nan 8.190 nan 0.000 0.480 2275 K N 2.958 123.433 120.400 0.125 0.000 2.350 2275 K HA 0.287 4.608 4.320 0.001 0.000 0.196 2275 K C 0.431 177.057 176.600 0.045 0.000 1.084 2275 K CA 0.325 56.662 56.287 0.083 0.000 0.967 2275 K CB 0.529 33.091 32.500 0.102 0.000 0.950 2275 K HN 0.607 nan 8.250 nan 0.000 0.512 2276 K N 0.359 120.818 120.400 0.097 0.000 2.572 2276 K HA 0.327 4.648 4.320 0.001 0.000 0.263 2276 K C -1.618 175.089 176.600 0.179 0.000 0.932 2276 K CA -0.397 55.886 56.287 -0.007 0.000 0.838 2276 K CB 1.418 33.698 32.500 -0.367 0.000 1.366 2276 K HN -0.225 nan 8.250 nan 0.000 0.425 2277 I N 2.113 122.760 120.570 0.128 0.000 2.441 2277 I HA 0.484 4.654 4.170 0.001 0.000 0.295 2277 I C 0.031 176.271 176.117 0.205 0.000 0.994 2277 I CA -0.366 61.086 61.300 0.253 0.000 1.144 2277 I CB 1.367 39.459 38.000 0.153 0.000 1.314 2277 I HN 0.709 nan 8.210 nan 0.000 0.445 2278 S N 3.412 119.312 115.700 0.333 0.000 2.903 2278 S HA 0.968 5.439 4.470 0.001 0.000 0.314 2278 S C -1.400 173.259 174.600 0.098 0.000 1.177 2278 S CA -0.224 58.077 58.200 0.168 0.000 0.859 2278 S CB 2.106 65.402 63.200 0.161 0.000 1.265 2278 S HN 0.837 nan 8.310 nan 0.000 0.584 2279 A N -0.354 122.335 122.820 -0.220 0.000 2.612 2279 A HA 0.765 5.085 4.320 0.001 0.000 0.293 2279 A C -0.435 176.708 177.584 -0.734 0.000 1.075 2279 A CA -0.190 51.653 52.037 -0.322 0.000 0.680 2279 A CB 0.958 19.948 19.000 -0.016 0.000 1.279 2279 A HN 1.205 nan 8.150 nan 0.000 0.411 2280 G N 1.098 109.519 108.800 -0.632 0.000 2.368 2280 G HA2 0.558 4.519 3.960 0.001 0.000 0.320 2280 G HA3 0.558 4.519 3.960 0.001 0.000 0.320 2280 G C -0.492 174.209 174.900 -0.332 0.000 1.158 2280 G CA -0.370 44.386 45.100 -0.573 0.000 0.912 2280 G HN 0.998 nan 8.290 nan 0.000 0.456 2281 N N 0.298 118.736 118.700 -0.437 0.000 2.966 2281 N HA 0.335 5.075 4.740 0.001 0.000 0.314 2281 N C -0.965 174.321 175.510 -0.374 0.000 1.397 2281 N CA -0.948 51.907 53.050 -0.325 0.000 0.776 2281 N CB 1.499 39.645 38.487 -0.567 0.000 1.576 2281 N HN 0.332 nan 8.380 nan 0.000 0.592 2282 Y N -1.607 118.725 120.300 0.053 0.000 2.682 2282 Y HA 0.379 4.930 4.550 0.001 0.000 0.251 2282 Y C 1.169 177.130 175.900 0.102 0.000 1.172 2282 Y CA 0.145 58.307 58.100 0.104 0.000 1.186 2282 Y CB 0.729 39.298 38.460 0.181 0.000 1.216 2282 Y HN 0.998 nan 8.280 nan 0.000 0.540 2283 G N -0.500 108.419 108.800 0.198 0.000 2.144 2283 G HA2 -0.068 3.893 3.960 0.001 0.000 0.218 2283 G HA3 -0.068 3.893 3.960 0.001 0.000 0.218 2283 G C 1.129 176.159 174.900 0.216 0.000 0.988 2283 G CA 0.139 45.355 45.100 0.193 0.000 0.659 2283 G HN 1.069 nan 8.290 nan 0.000 0.522 2284 G N -0.810 108.154 108.800 0.273 0.000 2.205 2284 G HA2 -0.230 3.731 3.960 0.001 0.000 0.261 2284 G HA3 -0.230 3.731 3.960 0.001 0.000 0.261 2284 G C 0.571 175.514 174.900 0.071 0.000 0.980 2284 G CA 1.204 46.393 45.100 0.147 0.000 0.632 2284 G HN 1.283 nan 8.290 nan 0.000 0.533 2285 K N -0.590 119.872 120.400 0.104 0.000 2.861 2285 K HA 0.740 5.061 4.320 0.001 0.000 0.210 2285 K C 0.805 177.454 176.600 0.083 0.000 1.112 2285 K CA -0.045 56.282 56.287 0.068 0.000 1.076 2285 K CB 0.368 32.907 32.500 0.065 0.000 0.853 2285 K HN 0.302 nan 8.250 nan 0.000 0.463 2286 L N -2.211 119.065 121.223 0.090 0.000 3.923 2286 L HA 0.348 4.689 4.340 0.001 0.000 0.374 2286 L C 0.312 177.208 176.870 0.044 0.000 1.137 2286 L CA -0.009 54.902 54.840 0.119 0.000 1.351 2286 L CB 1.252 43.408 42.059 0.161 0.000 1.720 2286 L HN 0.162 nan 8.230 nan 0.000 0.634 2287 G N -0.806 107.897 108.800 -0.161 0.000 2.461 2287 G HA2 0.339 4.300 3.960 0.001 0.000 0.323 2287 G HA3 0.339 4.300 3.960 0.001 0.000 0.323 2287 G C 0.127 174.864 174.900 -0.272 0.000 1.229 2287 G CA -0.291 44.517 45.100 -0.487 0.000 0.941 2287 G HN -0.048 nan 8.290 nan 0.000 0.477 2288 K N 0.491 120.719 120.400 -0.287 0.000 2.228 2288 K HA 0.099 4.419 4.320 0.001 0.000 0.202 2288 K C -0.464 175.754 176.600 -0.637 0.000 1.051 2288 K CA 0.677 56.696 56.287 -0.447 0.000 0.960 2288 K CB -0.004 32.157 32.500 -0.564 0.000 0.743 2288 K HN 0.525 nan 8.250 nan 0.000 0.458 2289 Y N 0.854 121.047 120.300 -0.179 0.000 2.364 2289 Y HA 0.354 4.905 4.550 0.001 0.000 0.340 2289 Y C -0.770 174.934 175.900 -0.328 0.000 0.975 2289 Y CA -0.965 56.960 58.100 -0.291 0.000 1.089 2289 Y CB 1.955 40.279 38.460 -0.226 0.000 1.192 2289 Y HN -0.127 nan 8.280 nan 0.000 0.454 2290 Q N 3.758 123.350 119.800 -0.347 0.000 2.320 2290 Q HA 0.426 4.767 4.340 0.001 0.000 0.268 2290 Q C -1.736 174.090 176.000 -0.291 0.000 1.023 2290 Q CA -0.593 55.101 55.803 -0.180 0.000 0.744 2290 Q CB 1.794 30.379 28.738 -0.255 0.000 1.246 2290 Q HN 0.604 nan 8.270 nan 0.000 0.462 2291 F N 2.047 122.102 119.950 0.175 0.000 2.332 2291 F HA 0.363 4.891 4.527 0.001 0.000 0.368 2291 F C 0.371 176.272 175.800 0.168 0.000 1.110 2291 F CA -0.819 57.259 58.000 0.130 0.000 1.087 2291 F CB 0.887 39.952 39.000 0.109 0.000 1.235 2291 F HN 0.099 nan 8.300 nan 0.000 0.470 2292 K N 3.520 124.072 120.400 0.253 0.000 2.297 2292 K HA 0.205 4.525 4.320 0.001 0.000 0.286 2292 K C 0.616 177.355 176.600 0.231 0.000 1.053 2292 K CA -0.657 55.779 56.287 0.249 0.000 0.940 2292 K CB 1.132 33.724 32.500 0.153 0.000 1.019 2292 K HN 0.486 nan 8.250 nan 0.000 0.475 2293 L N 2.552 123.939 121.223 0.275 0.000 2.042 2293 L HA -0.187 4.153 4.340 0.001 0.000 0.210 2293 L C 1.882 178.927 176.870 0.292 0.000 1.076 2293 L CA 1.952 56.953 54.840 0.270 0.000 0.749 2293 L CB -1.270 40.975 42.059 0.311 0.000 0.893 2293 L HN 0.691 nan 8.230 nan 0.000 0.432 2294 H N -0.551 118.634 119.070 0.192 0.000 2.457 2294 H HA -0.095 4.461 4.556 0.001 0.000 0.294 2294 H C 2.207 177.622 175.328 0.146 0.000 1.064 2294 H CA 1.017 57.194 56.048 0.214 0.000 1.330 2294 H CB 0.029 29.871 29.762 0.133 0.000 1.395 2294 H HN 0.406 nan 8.280 nan 0.000 0.541 2295 E N 0.053 120.351 120.200 0.164 0.000 2.204 2295 E HA -0.093 4.258 4.350 0.001 0.000 0.194 2295 E C 1.862 178.414 176.600 -0.080 0.000 0.989 2295 E CA 0.392 56.825 56.400 0.055 0.000 0.824 2295 E CB -0.001 29.731 29.700 0.052 0.000 0.756 2295 E HN 0.409 nan 8.360 nan 0.000 0.477 2296 L N 0.065 121.135 121.223 -0.256 0.000 2.079 2296 L HA -0.142 4.198 4.340 0.001 0.000 0.210 2296 L C 0.627 177.027 176.870 -0.783 0.000 1.081 2296 L CA 0.821 55.285 54.840 -0.628 0.000 0.752 2296 L CB -0.339 41.083 42.059 -1.061 0.000 0.896 2296 L HN 0.032 nan 8.230 nan 0.000 0.433 2297 F N 0.000 119.935 119.950 -0.025 0.000 2.286 2297 F HA 0.000 4.527 4.527 0.001 0.000 0.279 2297 F CA 0.000 57.978 58.000 -0.036 0.000 1.383 2297 F CB 0.000 38.956 39.000 -0.073 0.000 1.145 2297 F HN 0.000 nan 8.300 nan 0.000 0.574