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 1cli_1_C DATA FIRST_RESID 2005 DATA SEQUENCE TSLSYKDAGV DIDAGNALVG RIKGVVKKTR RPEVMGGLGG FGALCALPQK DATA SEQUENCE YREPVLVSGT DGVGTKLRLA MDLKRHDTIG IDLVAMCVND LVVQGAEPLF DATA SEQUENCE FLDYYATGKL DVDTASAVIS GIAEGCLQSG CSLVGGETAE MPGMYHGEDY DATA SEQUENCE DVAGFCVGVV EKSEIIDGSK VSDGDVLIAL GSSGPHSNGY SLVRKILEVS DATA SEQUENCE GCDPQTTELD GKPLADHLLA PTRIYVKSVL ELIEKVDVHA IAHLTGGGFW DATA SEQUENCE ENIPRVLPDN TQAVIDESSW QWPEVFNWLQ TAGNVEHHEM YRTFNCGVGM DATA SEQUENCE IIALPAPEVD KALALLNANG ENAWKIGIIK ASDSEQRVVI E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2005 T HA 0.000 nan 4.350 nan 0.000 0.228 2005 T C 0.000 174.721 174.700 0.036 0.000 1.109 2005 T CA 0.000 62.117 62.100 0.028 0.000 1.349 2005 T CB 0.000 68.880 68.868 0.021 0.000 0.612 2006 S N 1.592 117.310 115.700 0.031 0.000 2.523 2006 S HA 0.732 5.202 4.470 -0.000 0.000 0.275 2006 S C -0.622 174.005 174.600 0.044 0.000 1.281 2006 S CA -0.292 57.928 58.200 0.033 0.000 1.050 2006 S CB 0.869 64.083 63.200 0.023 0.000 0.937 2006 S HN 0.325 nan 8.310 nan 0.000 0.492 2007 L N 2.219 123.479 121.223 0.062 0.000 2.250 2007 L HA 0.491 4.831 4.340 -0.000 0.000 0.252 2007 L C 1.286 178.204 176.870 0.079 0.000 1.054 2007 L CA -0.249 54.638 54.840 0.079 0.000 0.856 2007 L CB 1.505 43.639 42.059 0.124 0.000 1.443 2007 L HN 0.661 nan 8.230 nan 0.000 0.427 2008 S N -0.553 115.201 115.700 0.090 0.000 2.453 2008 S HA -0.182 4.287 4.470 -0.000 0.000 0.231 2008 S C 1.642 176.310 174.600 0.113 0.000 1.005 2008 S CA 1.046 59.295 58.200 0.081 0.000 0.949 2008 S CB -0.620 62.624 63.200 0.073 0.000 0.774 2008 S HN 0.643 nan 8.310 nan 0.000 0.510 2009 Y N 2.282 122.587 120.300 0.009 0.000 2.373 2009 Y HA 0.241 4.791 4.550 -0.000 0.000 0.293 2009 Y C 1.859 177.765 175.900 0.009 0.000 1.129 2009 Y CA 1.024 59.129 58.100 0.008 0.000 1.226 2009 Y CB -0.251 38.212 38.460 0.005 0.000 1.000 2009 Y HN 0.048 nan 8.280 nan 0.000 0.549 2010 K N 1.056 121.440 120.400 -0.026 0.000 2.504 2010 K HA -0.061 4.259 4.320 -0.000 0.000 0.195 2010 K C -0.149 176.390 176.600 -0.102 0.000 1.036 2010 K CA 0.535 56.759 56.287 -0.104 0.000 0.984 2010 K CB -0.406 32.089 32.500 -0.008 0.000 0.788 2010 K HN 0.314 nan 8.250 nan 0.000 0.488 2011 D N 0.087 120.446 120.400 -0.067 0.000 2.232 2011 D HA 0.176 4.816 4.640 -0.000 0.000 0.242 2011 D C -0.813 175.450 176.300 -0.062 0.000 1.093 2011 D CA -0.307 53.667 54.000 -0.044 0.000 0.845 2011 D CB 1.187 41.984 40.800 -0.005 0.000 1.124 2011 D HN 0.042 nan 8.370 nan 0.000 0.467 2012 A N 3.110 125.895 122.820 -0.057 0.000 3.017 2012 A HA 0.441 4.760 4.320 -0.000 0.000 0.283 2012 A C 0.924 178.501 177.584 -0.013 0.000 1.892 2012 A CA 0.483 52.490 52.037 -0.051 0.000 1.469 2012 A CB -0.846 18.130 19.000 -0.040 0.000 0.999 2012 A HN 0.730 nan 8.150 nan 0.000 0.605 2013 G N 0.713 109.509 108.800 -0.007 0.000 2.720 2013 G HA2 0.178 4.138 3.960 -0.000 0.000 0.207 2013 G HA3 0.178 4.138 3.960 -0.000 0.000 0.207 2013 G C -0.312 174.609 174.900 0.034 0.000 1.068 2013 G CA -0.224 44.890 45.100 0.024 0.000 1.077 2013 G HN 0.970 nan 8.290 nan 0.000 0.597 2014 V N -0.040 119.895 119.914 0.036 0.000 7.034 2014 V HA 0.810 4.930 4.120 -0.000 0.000 0.237 2014 V C 0.900 177.023 176.094 0.049 0.000 1.632 2014 V CA 0.893 63.220 62.300 0.045 0.000 0.733 2014 V CB 0.329 32.181 31.823 0.049 0.000 1.824 2014 V HN 1.225 nan 8.190 nan 0.000 0.333 2015 D N 0.094 120.528 120.400 0.058 0.000 4.044 2015 D HA -0.156 4.484 4.640 -0.000 0.000 0.242 2015 D C 0.378 176.695 176.300 0.029 0.000 1.076 2015 D CA 0.823 54.853 54.000 0.050 0.000 1.171 2015 D CB -0.551 40.281 40.800 0.054 0.000 0.866 2015 D HN 0.617 nan 8.370 nan 0.000 0.413 2016 I N -0.714 119.870 120.570 0.024 0.000 2.676 2016 I HA 0.074 4.244 4.170 -0.000 0.000 0.259 2016 I C 1.516 177.631 176.117 -0.003 0.000 1.194 2016 I CA 0.583 61.890 61.300 0.013 0.000 1.473 2016 I CB -0.114 37.894 38.000 0.013 0.000 1.096 2016 I HN 0.076 nan 8.210 nan 0.000 0.443 2017 D N 1.715 122.113 120.400 -0.003 0.000 2.392 2017 D HA 0.022 4.662 4.640 -0.000 0.000 0.228 2017 D C 2.201 178.487 176.300 -0.023 0.000 1.003 2017 D CA 1.049 55.039 54.000 -0.016 0.000 0.917 2017 D CB 0.153 40.945 40.800 -0.013 0.000 0.890 2017 D HN 0.570 nan 8.370 nan 0.000 0.532 2018 A N 0.145 122.955 122.820 -0.018 0.000 1.929 2018 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 2018 A C 2.320 179.871 177.584 -0.054 0.000 1.176 2018 A CA 1.581 53.599 52.037 -0.031 0.000 0.628 2018 A CB -0.675 18.314 19.000 -0.018 0.000 0.816 2018 A HN 0.309 nan 8.150 nan 0.000 0.444 2019 G N -0.265 108.507 108.800 -0.046 0.000 2.403 2019 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 2019 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 2019 G C 1.393 176.256 174.900 -0.061 0.000 1.154 2019 G CA 0.860 45.925 45.100 -0.058 0.000 0.784 2019 G HN 0.483 nan 8.290 nan 0.000 0.538 2020 N N 1.121 119.790 118.700 -0.052 0.000 2.244 2020 N HA -0.034 4.706 4.740 -0.000 0.000 0.183 2020 N C 2.374 177.851 175.510 -0.054 0.000 1.016 2020 N CA 1.116 54.134 53.050 -0.053 0.000 0.866 2020 N CB -0.218 38.241 38.487 -0.047 0.000 0.980 2020 N HN 0.307 nan 8.380 nan 0.000 0.430 2021 A N 0.229 123.016 122.820 -0.055 0.000 1.970 2021 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 2021 A C 2.156 179.697 177.584 -0.072 0.000 1.170 2021 A CA 0.529 52.532 52.037 -0.056 0.000 0.645 2021 A CB -0.323 18.647 19.000 -0.049 0.000 0.816 2021 A HN 0.201 nan 8.150 nan 0.000 0.447 2022 L N -0.213 120.955 121.223 -0.091 0.000 2.068 2022 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 2022 L C 2.318 179.129 176.870 -0.098 0.000 1.076 2022 L CA 1.652 56.420 54.840 -0.120 0.000 0.753 2022 L CB -0.522 41.435 42.059 -0.170 0.000 0.910 2022 L HN 0.121 nan 8.230 nan 0.000 0.439 2023 V N 0.354 120.218 119.914 -0.082 0.000 2.453 2023 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 2023 V C 2.549 178.609 176.094 -0.057 0.000 1.068 2023 V CA 1.830 64.091 62.300 -0.065 0.000 1.070 2023 V CB -1.648 30.140 31.823 -0.058 0.000 0.664 2023 V HN 0.656 nan 8.190 nan 0.000 0.461 2024 G N -0.801 107.965 108.800 -0.057 0.000 2.422 2024 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 2024 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 2024 G C 1.771 176.642 174.900 -0.049 0.000 1.140 2024 G CA 0.245 45.316 45.100 -0.048 0.000 0.775 2024 G HN 0.327 nan 8.290 nan 0.000 0.545 2025 R N 0.358 120.822 120.500 -0.059 0.000 2.052 2025 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 2025 R C 2.519 178.784 176.300 -0.058 0.000 1.149 2025 R CA 1.156 57.220 56.100 -0.060 0.000 0.962 2025 R CB -0.849 29.407 30.300 -0.074 0.000 0.856 2025 R HN 0.583 nan 8.270 nan 0.000 0.433 2026 I N -0.089 120.441 120.570 -0.068 0.000 3.444 2026 I HA 0.049 4.218 4.170 -0.000 0.000 0.287 2026 I C 1.987 178.078 176.117 -0.043 0.000 1.302 2026 I CA 0.763 62.027 61.300 -0.060 0.000 1.368 2026 I CB -0.412 37.543 38.000 -0.075 0.000 1.048 2026 I HN -0.047 nan 8.210 nan 0.000 0.487 2027 K N 1.882 122.257 120.400 -0.040 0.000 2.127 2027 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 2027 K C 2.147 178.732 176.600 -0.024 0.000 1.047 2027 K CA 1.848 58.116 56.287 -0.031 0.000 0.927 2027 K CB -0.662 31.819 32.500 -0.031 0.000 0.716 2027 K HN 0.523 nan 8.250 nan 0.000 0.450 2028 G N 0.539 109.324 108.800 -0.025 0.000 2.402 2028 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 2028 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 2028 G C 1.468 176.357 174.900 -0.019 0.000 1.162 2028 G CA 0.965 46.053 45.100 -0.021 0.000 0.777 2028 G HN 0.334 nan 8.290 nan 0.000 0.539 2029 V N 0.379 120.279 119.914 -0.022 0.000 2.809 2029 V HA -0.064 4.056 4.120 -0.000 0.000 0.256 2029 V C 2.685 178.771 176.094 -0.014 0.000 1.080 2029 V CA 1.782 64.069 62.300 -0.021 0.000 1.102 2029 V CB -0.454 31.353 31.823 -0.027 0.000 0.705 2029 V HN 0.397 nan 8.190 nan 0.000 0.475 2030 V N -1.844 118.064 119.914 -0.010 0.000 3.235 2030 V HA 0.137 4.256 4.120 -0.000 0.000 0.259 2030 V C 2.391 178.488 176.094 0.005 0.000 1.133 2030 V CA 1.721 64.023 62.300 0.003 0.000 1.128 2030 V CB -0.802 31.026 31.823 0.008 0.000 0.757 2030 V HN 0.545 nan 8.190 nan 0.000 0.469 2031 K N 0.099 120.498 120.400 -0.002 0.000 2.366 2031 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 2031 K C 1.897 178.498 176.600 0.001 0.000 1.044 2031 K CA 0.455 56.742 56.287 -0.001 0.000 0.973 2031 K CB 0.089 32.585 32.500 -0.006 0.000 0.767 2031 K HN 0.303 nan 8.250 nan 0.000 0.475 2032 K N -0.043 120.356 120.400 -0.002 0.000 2.296 2032 K HA -0.026 4.294 4.320 -0.000 0.000 0.200 2032 K C 1.831 178.433 176.600 0.003 0.000 1.048 2032 K CA 1.370 57.656 56.287 -0.002 0.000 0.966 2032 K CB 0.046 32.542 32.500 -0.008 0.000 0.754 2032 K HN 0.339 nan 8.250 nan 0.000 0.466 2033 T N -1.910 112.649 114.554 0.008 0.000 3.100 2033 T HA 0.056 4.406 4.350 -0.000 0.000 0.253 2033 T C 0.985 175.704 174.700 0.032 0.000 1.118 2033 T CA -0.293 61.818 62.100 0.017 0.000 1.058 2033 T CB 0.054 68.934 68.868 0.021 0.000 0.953 2033 T HN 0.008 nan 8.240 nan 0.000 0.515 2034 R N 1.952 122.469 120.500 0.027 0.000 2.486 2034 R HA 0.107 4.447 4.340 -0.000 0.000 0.303 2034 R C -0.034 176.286 176.300 0.034 0.000 0.958 2034 R CA 0.003 56.121 56.100 0.031 0.000 1.077 2034 R CB 0.314 30.625 30.300 0.018 0.000 0.921 2034 R HN 0.405 nan 8.270 nan 0.000 0.406 2035 R N 4.499 125.027 120.500 0.047 0.000 2.546 2035 R HA 0.176 4.516 4.340 -0.000 0.000 0.266 2035 R C -1.593 174.731 176.300 0.040 0.000 1.086 2035 R CA -1.831 54.298 56.100 0.049 0.000 1.160 2035 R CB 0.462 30.806 30.300 0.073 0.000 1.138 2035 R HN 0.498 nan 8.270 nan 0.000 0.567 2036 P HA -0.065 nan 4.420 nan 0.000 0.226 2036 P C 0.001 177.322 177.300 0.035 0.000 1.153 2036 P CA 1.017 64.135 63.100 0.030 0.000 0.777 2036 P CB 0.359 32.076 31.700 0.027 0.000 0.794 2037 E N -1.182 119.048 120.200 0.049 0.000 2.299 2037 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 2037 E C 0.422 177.046 176.600 0.040 0.000 0.998 2037 E CA 0.151 56.583 56.400 0.054 0.000 0.851 2037 E CB -0.369 29.381 29.700 0.083 0.000 0.795 2037 E HN 0.008 nan 8.360 nan 0.000 0.492 2038 V N 2.047 121.981 119.914 0.033 0.000 2.673 2038 V HA 0.010 4.130 4.120 -0.000 0.000 0.303 2038 V C 0.227 176.319 176.094 -0.002 0.000 1.046 2038 V CA 0.639 62.943 62.300 0.006 0.000 1.126 2038 V CB 0.431 32.257 31.823 0.006 0.000 0.934 2038 V HN 0.198 nan 8.190 nan 0.000 0.487 2039 M N 3.743 123.332 119.600 -0.018 0.000 2.393 2039 M HA 0.631 5.110 4.480 -0.000 0.000 0.316 2039 M C 0.900 177.189 176.300 -0.019 0.000 1.087 2039 M CA 0.391 55.683 55.300 -0.013 0.000 0.937 2039 M CB 1.936 34.530 32.600 -0.010 0.000 1.668 2039 M HN 0.930 nan 8.290 nan 0.000 0.438 2040 G N 2.212 111.005 108.800 -0.012 0.000 2.595 2040 G HA2 0.022 3.982 3.960 -0.000 0.000 0.297 2040 G HA3 0.022 3.982 3.960 -0.000 0.000 0.297 2040 G C 0.102 174.993 174.900 -0.016 0.000 1.181 2040 G CA 0.090 45.183 45.100 -0.011 0.000 0.963 2040 G HN 1.463 nan 8.290 nan 0.000 0.541 2041 G N -2.658 106.128 108.800 -0.023 0.000 2.404 2041 G HA2 0.527 4.487 3.960 -0.000 0.000 0.253 2041 G HA3 0.527 4.487 3.960 -0.000 0.000 0.253 2041 G C -0.480 174.401 174.900 -0.033 0.000 1.253 2041 G CA -0.018 45.066 45.100 -0.026 0.000 0.917 2041 G HN 1.234 nan 8.290 nan 0.000 0.480 2042 L N 0.860 122.064 121.223 -0.032 0.000 2.475 2042 L HA 0.501 4.841 4.340 -0.000 0.000 0.212 2042 L C 2.308 179.147 176.870 -0.052 0.000 1.204 2042 L CA 1.639 56.456 54.840 -0.040 0.000 0.843 2042 L CB -0.575 41.463 42.059 -0.034 0.000 1.360 2042 L HN 2.187 nan 8.230 nan 0.000 0.527 2043 G N -0.667 108.092 108.800 -0.069 0.000 2.186 2043 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.266 2043 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.266 2043 G C 0.527 175.348 174.900 -0.131 0.000 0.982 2043 G CA 0.524 45.567 45.100 -0.094 0.000 0.670 2043 G HN 1.047 nan 8.290 nan 0.000 0.533 2044 G N -2.011 106.720 108.800 -0.115 0.000 2.644 2044 G HA2 0.621 4.581 3.960 -0.000 0.000 0.307 2044 G HA3 0.621 4.581 3.960 -0.000 0.000 0.307 2044 G C 0.409 175.223 174.900 -0.144 0.000 1.250 2044 G CA -0.701 44.334 45.100 -0.108 0.000 0.996 2044 G HN 0.075 nan 8.290 nan 0.000 0.489 2045 F N 0.335 120.268 119.950 -0.027 0.000 2.641 2045 F HA 0.269 4.796 4.527 -0.000 0.000 0.298 2045 F C 1.648 177.424 175.800 -0.040 0.000 1.146 2045 F CA 1.361 59.344 58.000 -0.028 0.000 1.464 2045 F CB 0.250 39.235 39.000 -0.025 0.000 1.101 2045 F HN 0.623 nan 8.300 nan 0.000 0.585 2046 G N -0.799 108.057 108.800 0.093 0.000 2.503 2046 G HA2 0.514 4.473 3.960 -0.000 0.000 0.305 2046 G HA3 0.514 4.473 3.960 -0.000 0.000 0.305 2046 G C -1.728 173.150 174.900 -0.036 0.000 1.575 2046 G CA -0.506 44.602 45.100 0.014 0.000 0.890 2046 G HN 0.204 nan 8.290 nan 0.000 0.612 2047 A N 1.753 124.513 122.820 -0.099 0.000 2.366 2047 A HA 0.747 5.067 4.320 -0.000 0.000 0.272 2047 A C 0.330 177.802 177.584 -0.188 0.000 1.135 2047 A CA -0.198 51.754 52.037 -0.141 0.000 0.804 2047 A CB 0.245 19.133 19.000 -0.187 0.000 1.064 2047 A HN 0.801 nan 8.150 nan 0.000 0.499 2048 L N 1.495 122.639 121.223 -0.131 0.000 2.325 2048 L HA 0.575 4.915 4.340 -0.000 0.000 0.279 2048 L C -0.175 176.619 176.870 -0.128 0.000 1.054 2048 L CA -0.472 54.300 54.840 -0.114 0.000 0.804 2048 L CB 1.526 43.553 42.059 -0.053 0.000 1.200 2048 L HN 0.726 nan 8.230 nan 0.000 0.436 2049 C N 2.879 122.118 119.300 -0.102 0.000 2.705 2049 C HA 0.703 5.162 4.460 -0.000 0.000 0.369 2049 C C 0.476 175.493 174.990 0.046 0.000 1.069 2049 C CA -0.670 58.328 59.018 -0.033 0.000 1.260 2049 C CB 0.278 27.979 27.740 -0.065 0.000 1.764 2049 C HN 0.968 nan 8.230 nan 0.000 0.469 2050 A N 5.094 127.946 122.820 0.052 0.000 2.346 2050 A HA 0.682 5.002 4.320 -0.000 0.000 0.255 2050 A C -0.401 177.242 177.584 0.099 0.000 1.113 2050 A CA -0.114 51.961 52.037 0.065 0.000 0.798 2050 A CB 0.288 19.319 19.000 0.051 0.000 1.073 2050 A HN 0.926 nan 8.150 nan 0.000 0.502 2051 L N 0.321 121.603 121.223 0.098 0.000 2.343 2051 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 2051 L C -2.139 174.818 176.870 0.145 0.000 1.056 2051 L CA -1.820 53.097 54.840 0.128 0.000 0.804 2051 L CB 1.279 43.410 42.059 0.120 0.000 1.203 2051 L HN 0.430 nan 8.230 nan 0.000 0.440 2052 P HA 0.005 nan 4.420 nan 0.000 0.271 2052 P C 0.083 177.455 177.300 0.121 0.000 1.220 2052 P CA -0.443 62.752 63.100 0.158 0.000 0.768 2052 P CB 0.631 32.462 31.700 0.219 0.000 0.848 2053 Q N 5.265 125.091 119.800 0.043 0.000 2.368 2053 Q HA -0.256 4.083 4.340 -0.000 0.000 0.210 2053 Q C 1.474 177.445 176.000 -0.048 0.000 0.982 2053 Q CA 1.634 57.446 55.803 0.015 0.000 0.884 2053 Q CB -0.371 28.369 28.738 0.003 0.000 0.933 2053 Q HN 0.481 nan 8.270 nan 0.000 0.460 2054 K N 0.257 120.558 120.400 -0.165 0.000 2.160 2054 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 2054 K C -0.313 176.056 176.600 -0.386 0.000 1.047 2054 K CA 0.721 56.803 56.287 -0.341 0.000 0.930 2054 K CB -0.134 32.028 32.500 -0.564 0.000 0.720 2054 K HN 0.200 nan 8.250 nan 0.000 0.450 2055 Y N 1.500 121.807 120.300 0.010 0.000 2.436 2055 Y HA 0.145 4.695 4.550 -0.000 0.000 0.343 2055 Y C 1.261 177.166 175.900 0.009 0.000 1.008 2055 Y CA -0.749 57.357 58.100 0.009 0.000 1.241 2055 Y CB 0.990 39.457 38.460 0.010 0.000 1.153 2055 Y HN -0.079 nan 8.280 nan 0.000 0.521 2056 R N 1.865 122.445 120.500 0.133 0.000 2.062 2056 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 2056 R C -0.227 176.125 176.300 0.087 0.000 1.128 2056 R CA 0.911 57.059 56.100 0.080 0.000 0.960 2056 R CB 0.090 30.421 30.300 0.052 0.000 0.855 2056 R HN 0.710 nan 8.270 nan 0.000 0.432 2057 E N 1.538 121.798 120.200 0.101 0.000 3.037 2057 E HA 0.230 4.579 4.350 -0.000 0.000 0.220 2057 E C -2.457 174.176 176.600 0.055 0.000 1.142 2057 E CA -1.743 54.696 56.400 0.065 0.000 0.888 2057 E CB 1.797 31.523 29.700 0.043 0.000 1.329 2057 E HN 0.108 nan 8.360 nan 0.000 0.409 2058 P HA 0.039 nan 4.420 nan 0.000 0.271 2058 P C -0.302 176.944 177.300 -0.090 0.000 1.226 2058 P CA -0.046 63.013 63.100 -0.069 0.000 0.765 2058 P CB 1.296 32.967 31.700 -0.048 0.000 0.835 2059 V N 5.356 125.185 119.914 -0.142 0.000 2.495 2059 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 2059 V C 0.553 176.563 176.094 -0.139 0.000 1.031 2059 V CA -0.826 61.413 62.300 -0.103 0.000 0.871 2059 V CB 1.715 33.494 31.823 -0.074 0.000 0.988 2059 V HN 0.387 nan 8.190 nan 0.000 0.432 2060 L N 5.035 126.196 121.223 -0.103 0.000 2.305 2060 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 2060 L C -0.492 176.322 176.870 -0.095 0.000 1.085 2060 L CA -0.565 54.209 54.840 -0.110 0.000 0.813 2060 L CB 1.511 43.523 42.059 -0.079 0.000 1.157 2060 L HN 0.351 nan 8.230 nan 0.000 0.436 2061 V N 2.005 121.853 119.914 -0.110 0.000 2.417 2061 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 2061 V C 0.071 176.111 176.094 -0.089 0.000 1.024 2061 V CA -0.425 61.825 62.300 -0.083 0.000 0.861 2061 V CB 1.589 33.367 31.823 -0.075 0.000 0.985 2061 V HN 0.933 nan 8.190 nan 0.000 0.436 2062 S N 2.796 118.460 115.700 -0.060 0.000 2.677 2062 S HA 1.023 5.493 4.470 -0.000 0.000 0.304 2062 S C -0.210 174.380 174.600 -0.017 0.000 1.108 2062 S CA -0.381 57.788 58.200 -0.051 0.000 0.944 2062 S CB 2.378 65.556 63.200 -0.037 0.000 1.127 2062 S HN 1.444 nan 8.310 nan 0.000 0.511 2063 G N -0.469 108.332 108.800 0.002 0.000 2.655 2063 G HA2 0.494 4.453 3.960 -0.000 0.000 0.296 2063 G HA3 0.494 4.453 3.960 -0.000 0.000 0.296 2063 G C -1.465 173.445 174.900 0.015 0.000 1.485 2063 G CA -0.394 44.715 45.100 0.016 0.000 0.869 2063 G HN 0.848 nan 8.290 nan 0.000 0.540 2064 T N 0.604 115.158 114.554 0.000 0.000 2.848 2064 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 2064 T C -1.509 173.124 174.700 -0.112 0.000 0.995 2064 T CA -0.545 61.491 62.100 -0.107 0.000 0.970 2064 T CB 1.742 70.583 68.868 -0.046 0.000 0.976 2064 T HN 0.435 nan 8.240 nan 0.000 0.441 2065 D N 1.523 121.825 120.400 -0.163 0.000 2.579 2065 D HA 0.665 5.305 4.640 -0.000 0.000 0.257 2065 D C -0.499 175.751 176.300 -0.084 0.000 1.176 2065 D CA -0.232 53.724 54.000 -0.073 0.000 0.914 2065 D CB 2.416 43.220 40.800 0.008 0.000 1.431 2065 D HN 0.791 nan 8.370 nan 0.000 0.454 2066 G N -0.700 108.083 108.800 -0.028 0.000 2.605 2066 G HA2 0.451 4.410 3.960 -0.000 0.000 0.296 2066 G HA3 0.451 4.410 3.960 -0.000 0.000 0.296 2066 G C 0.811 175.717 174.900 0.009 0.000 1.304 2066 G CA -0.396 44.697 45.100 -0.012 0.000 0.941 2066 G HN 0.268 nan 8.290 nan 0.000 0.475 2067 V N 0.760 120.680 119.914 0.011 0.000 2.295 2067 V HA 0.269 4.389 4.120 -0.000 0.000 0.246 2067 V C 2.084 178.163 176.094 -0.024 0.000 1.049 2067 V CA 2.513 64.808 62.300 -0.008 0.000 1.024 2067 V CB -1.447 30.367 31.823 -0.015 0.000 0.648 2067 V HN 1.923 nan 8.190 nan 0.000 0.447 2068 G N -0.334 108.455 108.800 -0.020 0.000 2.451 2068 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.208 2068 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.208 2068 G C 0.407 175.294 174.900 -0.023 0.000 1.248 2068 G CA 0.051 45.145 45.100 -0.009 0.000 0.989 2068 G HN 0.323 nan 8.290 nan 0.000 0.559 2069 T N 0.192 114.754 114.554 0.013 0.000 3.077 2069 T HA -0.001 4.349 4.350 -0.000 0.000 0.269 2069 T C 1.882 176.581 174.700 -0.001 0.000 1.146 2069 T CA 1.782 63.901 62.100 0.032 0.000 1.091 2069 T CB -0.049 68.876 68.868 0.093 0.000 0.892 2069 T HN 0.664 nan 8.240 nan 0.000 0.533 2070 K N 0.806 121.120 120.400 -0.143 0.000 2.418 2070 K HA 0.201 4.521 4.320 -0.000 0.000 0.195 2070 K C 1.979 178.455 176.600 -0.205 0.000 1.035 2070 K CA 0.157 56.215 56.287 -0.381 0.000 1.003 2070 K CB -0.170 31.811 32.500 -0.866 0.000 0.793 2070 K HN 0.325 nan 8.250 nan 0.000 0.494 2071 L N 0.821 121.965 121.223 -0.132 0.000 2.141 2071 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 2071 L C 2.345 179.146 176.870 -0.114 0.000 1.094 2071 L CA 0.995 55.761 54.840 -0.122 0.000 0.763 2071 L CB -0.136 41.835 42.059 -0.146 0.000 0.908 2071 L HN 0.238 nan 8.230 nan 0.000 0.437 2072 R N -0.530 119.926 120.500 -0.074 0.000 2.070 2072 R HA -0.207 4.133 4.340 -0.000 0.000 0.233 2072 R C 2.110 178.403 176.300 -0.011 0.000 1.137 2072 R CA 1.310 57.388 56.100 -0.037 0.000 0.945 2072 R CB -0.932 29.369 30.300 0.002 0.000 0.845 2072 R HN 0.240 nan 8.270 nan 0.000 0.430 2073 L N 1.181 122.408 121.223 0.006 0.000 2.079 2073 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 2073 L C 2.293 179.162 176.870 -0.002 0.000 1.081 2073 L CA 1.889 56.745 54.840 0.027 0.000 0.752 2073 L CB -0.630 41.477 42.059 0.081 0.000 0.896 2073 L HN 0.175 nan 8.230 nan 0.000 0.433 2074 A N -1.301 121.504 122.820 -0.025 0.000 1.969 2074 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 2074 A C 2.250 179.827 177.584 -0.011 0.000 1.169 2074 A CA 1.806 53.827 52.037 -0.027 0.000 0.635 2074 A CB -0.593 18.410 19.000 0.004 0.000 0.810 2074 A HN 0.519 nan 8.150 nan 0.000 0.445 2075 M N 0.263 119.889 119.600 0.044 0.000 2.200 2075 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 2075 M C 1.045 177.393 176.300 0.079 0.000 1.066 2075 M CA 1.744 57.127 55.300 0.139 0.000 1.127 2075 M CB -0.523 32.108 32.600 0.053 0.000 1.379 2075 M HN 0.346 nan 8.290 nan 0.000 0.420 2076 D N 0.408 120.827 120.400 0.031 0.000 2.088 2076 D HA -0.132 4.508 4.640 -0.000 0.000 0.191 2076 D C 1.646 177.948 176.300 0.004 0.000 0.992 2076 D CA 1.476 55.490 54.000 0.024 0.000 0.831 2076 D CB -0.628 40.184 40.800 0.020 0.000 0.973 2076 D HN 0.309 nan 8.370 nan 0.000 0.447 2077 L N 0.895 122.105 121.223 -0.022 0.000 2.749 2077 L HA -0.005 4.335 4.340 -0.000 0.000 0.245 2077 L C 0.697 177.507 176.870 -0.099 0.000 1.156 2077 L CA 0.400 55.212 54.840 -0.047 0.000 0.890 2077 L CB -0.751 41.278 42.059 -0.050 0.000 1.036 2077 L HN -0.045 nan 8.230 nan 0.000 0.441 2078 K N 0.514 120.843 120.400 -0.117 0.000 3.003 2078 K HA -0.263 4.056 4.320 -0.000 0.000 0.257 2078 K C 0.523 176.792 176.600 -0.553 0.000 0.958 2078 K CA 0.759 56.902 56.287 -0.240 0.000 0.707 2078 K CB -1.286 31.208 32.500 -0.010 0.000 1.279 2078 K HN 0.437 nan 8.250 nan 0.000 0.479 2079 R N 1.116 121.289 120.500 -0.545 0.000 2.239 2079 R HA 0.141 4.481 4.340 -0.000 0.000 0.332 2079 R C 0.449 176.497 176.300 -0.421 0.000 0.988 2079 R CA -0.352 55.522 56.100 -0.377 0.000 0.859 2079 R CB 0.462 30.661 30.300 -0.168 0.000 1.148 2079 R HN 0.172 nan 8.270 nan 0.000 0.482 2080 H N 2.297 121.403 119.070 0.060 0.000 2.893 2080 H HA -0.001 4.555 4.556 -0.000 0.000 0.270 2080 H C 0.410 175.760 175.328 0.038 0.000 1.095 2080 H CA -0.018 56.082 56.048 0.086 0.000 1.186 2080 H CB 0.808 30.634 29.762 0.106 0.000 1.562 2080 H HN 0.667 nan 8.280 nan 0.000 0.536 2081 D N 1.174 121.619 120.400 0.076 0.000 2.347 2081 D HA -0.082 4.558 4.640 -0.000 0.000 0.215 2081 D C 1.420 177.728 176.300 0.013 0.000 0.976 2081 D CA 1.106 55.127 54.000 0.035 0.000 0.884 2081 D CB -0.139 40.667 40.800 0.010 0.000 0.915 2081 D HN 0.336 nan 8.370 nan 0.000 0.526 2082 T N -2.918 111.643 114.554 0.012 0.000 3.004 2082 T HA 0.184 4.534 4.350 -0.000 0.000 0.266 2082 T C 1.615 176.315 174.700 -0.000 0.000 0.986 2082 T CA -0.373 61.722 62.100 -0.007 0.000 0.902 2082 T CB -0.310 68.546 68.868 -0.020 0.000 1.118 2082 T HN -0.037 nan 8.240 nan 0.000 0.522 2083 I N 2.863 123.454 120.570 0.035 0.000 2.756 2083 I HA 0.235 4.405 4.170 -0.000 0.000 0.262 2083 I C 2.252 178.393 176.117 0.040 0.000 1.225 2083 I CA 0.526 61.851 61.300 0.043 0.000 1.472 2083 I CB -0.446 37.620 38.000 0.110 0.000 1.094 2083 I HN 0.425 nan 8.210 nan 0.000 0.454 2084 G N -0.140 108.680 108.800 0.033 0.000 2.511 2084 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.217 2084 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.217 2084 G C 1.642 176.506 174.900 -0.060 0.000 1.133 2084 G CA 0.339 45.444 45.100 0.009 0.000 0.792 2084 G HN 0.426 nan 8.290 nan 0.000 0.539 2085 I N 0.682 121.213 120.570 -0.064 0.000 2.500 2085 I HA -0.061 4.108 4.170 -0.000 0.000 0.252 2085 I C 2.028 178.085 176.117 -0.100 0.000 1.142 2085 I CA 0.784 62.023 61.300 -0.102 0.000 1.451 2085 I CB -0.053 37.895 38.000 -0.087 0.000 1.093 2085 I HN 0.064 nan 8.210 nan 0.000 0.430 2086 D N 0.969 121.331 120.400 -0.062 0.000 2.117 2086 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 2086 D C 2.271 178.555 176.300 -0.026 0.000 0.982 2086 D CA 1.019 54.989 54.000 -0.050 0.000 0.828 2086 D CB -0.001 40.776 40.800 -0.038 0.000 0.967 2086 D HN 0.257 nan 8.370 nan 0.000 0.464 2087 L N 1.272 122.491 121.223 -0.005 0.000 2.012 2087 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 2087 L C 2.439 179.346 176.870 0.062 0.000 1.073 2087 L CA 1.280 56.151 54.840 0.052 0.000 0.748 2087 L CB -0.274 41.844 42.059 0.098 0.000 0.891 2087 L HN -0.081 nan 8.230 nan 0.000 0.431 2088 V N 0.064 119.909 119.914 -0.114 0.000 2.307 2088 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 2088 V C 2.843 178.870 176.094 -0.113 0.000 1.045 2088 V CA 1.503 63.621 62.300 -0.303 0.000 1.024 2088 V CB -0.989 30.486 31.823 -0.580 0.000 0.651 2088 V HN 0.553 nan 8.190 nan 0.000 0.449 2089 A N -0.433 122.316 122.820 -0.117 0.000 1.978 2089 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 2089 A C 2.235 179.797 177.584 -0.036 0.000 1.170 2089 A CA 2.021 53.991 52.037 -0.112 0.000 0.636 2089 A CB -0.469 18.433 19.000 -0.163 0.000 0.810 2089 A HN 0.406 nan 8.150 nan 0.000 0.448 2090 M N -0.623 118.997 119.600 0.034 0.000 2.086 2090 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 2090 M C 2.410 178.777 176.300 0.111 0.000 1.067 2090 M CA 1.418 56.789 55.300 0.117 0.000 1.116 2090 M CB -1.743 30.917 32.600 0.100 0.000 1.348 2090 M HN 0.583 nan 8.290 nan 0.000 0.407 2091 C N -0.654 118.716 119.300 0.116 0.000 2.508 2091 C HA -0.063 4.397 4.460 -0.000 0.000 0.280 2091 C C 2.914 177.948 174.990 0.073 0.000 1.262 2091 C CA 0.427 59.520 59.018 0.124 0.000 1.706 2091 C CB -1.030 26.863 27.740 0.255 0.000 2.078 2091 C HN 0.341 nan 8.230 nan 0.000 0.480 2092 V N 2.245 122.194 119.914 0.059 0.000 2.332 2092 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 2092 V C 2.137 178.190 176.094 -0.068 0.000 1.055 2092 V CA 2.088 64.386 62.300 -0.002 0.000 1.038 2092 V CB -0.730 31.075 31.823 -0.031 0.000 0.651 2092 V HN 0.536 nan 8.190 nan 0.000 0.450 2093 N N -0.128 118.482 118.700 -0.150 0.000 2.381 2093 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 2093 N C 1.438 176.759 175.510 -0.315 0.000 1.025 2093 N CA 1.046 53.886 53.050 -0.350 0.000 0.888 2093 N CB -0.222 37.781 38.487 -0.807 0.000 0.965 2093 N HN 0.492 nan 8.380 nan 0.000 0.438 2094 D N 0.138 120.478 120.400 -0.101 0.000 2.183 2094 D HA 0.072 4.712 4.640 -0.000 0.000 0.205 2094 D C 2.072 178.368 176.300 -0.007 0.000 0.962 2094 D CA 0.191 54.203 54.000 0.020 0.000 0.849 2094 D CB 0.106 40.958 40.800 0.086 0.000 0.978 2094 D HN 0.200 nan 8.370 nan 0.000 0.488 2095 L N 0.932 122.143 121.223 -0.020 0.000 2.083 2095 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 2095 L C 2.476 179.329 176.870 -0.029 0.000 1.083 2095 L CA 0.834 55.660 54.840 -0.024 0.000 0.752 2095 L CB -0.574 41.469 42.059 -0.026 0.000 0.899 2095 L HN 0.034 nan 8.230 nan 0.000 0.433 2096 V N -4.310 115.583 119.914 -0.036 0.000 2.970 2096 V HA -0.082 4.038 4.120 -0.000 0.000 0.260 2096 V C 2.242 178.317 176.094 -0.031 0.000 1.100 2096 V CA 0.771 63.053 62.300 -0.030 0.000 1.122 2096 V CB -0.355 31.450 31.823 -0.031 0.000 0.721 2096 V HN 0.160 nan 8.190 nan 0.000 0.483 2097 V N 0.800 120.696 119.914 -0.030 0.000 2.407 2097 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 2097 V C 2.475 178.559 176.094 -0.016 0.000 1.055 2097 V CA 2.433 64.719 62.300 -0.022 0.000 1.049 2097 V CB -0.706 31.117 31.823 -0.000 0.000 0.662 2097 V HN 0.664 nan 8.190 nan 0.000 0.455 2098 Q N -0.724 119.067 119.800 -0.014 0.000 2.204 2098 Q HA 0.330 4.670 4.340 -0.000 0.000 0.209 2098 Q C 1.391 177.385 176.000 -0.010 0.000 0.861 2098 Q CA 0.497 56.292 55.803 -0.012 0.000 0.971 2098 Q CB 0.745 29.474 28.738 -0.015 0.000 1.095 2098 Q HN 0.678 nan 8.270 nan 0.000 0.486 2099 G N 0.782 109.577 108.800 -0.008 0.000 2.153 2099 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 2099 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 2099 G C 0.216 175.121 174.900 0.007 0.000 0.994 2099 G CA 0.143 45.246 45.100 0.004 0.000 0.698 2099 G HN 0.524 nan 8.290 nan 0.000 0.521 2100 A N -0.278 122.533 122.820 -0.015 0.000 2.371 2100 A HA 0.645 4.965 4.320 -0.000 0.000 0.257 2100 A C 0.478 178.056 177.584 -0.010 0.000 1.089 2100 A CA 0.336 52.353 52.037 -0.034 0.000 0.794 2100 A CB 0.583 19.546 19.000 -0.061 0.000 1.029 2100 A HN 0.629 nan 8.150 nan 0.000 0.488 2101 E N 2.568 122.767 120.200 -0.002 0.000 2.109 2101 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 2101 E C -2.624 173.977 176.600 0.002 0.000 0.954 2101 E CA -2.117 54.306 56.400 0.037 0.000 0.779 2101 E CB 0.853 30.633 29.700 0.132 0.000 1.093 2101 E HN 0.303 nan 8.360 nan 0.000 0.401 2102 P HA -0.080 nan 4.420 nan 0.000 0.262 2102 P C -0.181 177.126 177.300 0.012 0.000 1.199 2102 P CA 0.097 63.193 63.100 -0.007 0.000 0.763 2102 P CB 0.622 32.331 31.700 0.015 0.000 0.790 2103 L N 6.062 127.263 121.223 -0.035 0.000 2.356 2103 L HA 0.395 4.735 4.340 -0.000 0.000 0.193 2103 L C 0.145 177.118 176.870 0.172 0.000 1.087 2103 L CA 1.353 56.221 54.840 0.046 0.000 0.817 2103 L CB -0.249 41.820 42.059 0.016 0.000 1.035 2103 L HN 0.318 nan 8.230 nan 0.000 0.482 2104 F N -2.428 117.580 119.950 0.096 0.000 2.645 2104 F HA 0.592 5.119 4.527 -0.000 0.000 0.310 2104 F C -1.211 174.711 175.800 0.204 0.000 1.102 2104 F CA -1.941 56.136 58.000 0.128 0.000 0.952 2104 F CB 0.873 39.925 39.000 0.086 0.000 1.326 2104 F HN -0.132 nan 8.300 nan 0.000 0.456 2105 F N 2.303 122.454 119.950 0.335 0.000 2.565 2105 F HA 0.822 5.348 4.527 -0.000 0.000 0.313 2105 F C -1.886 174.084 175.800 0.284 0.000 1.091 2105 F CA -0.963 57.181 58.000 0.241 0.000 0.915 2105 F CB 1.821 40.899 39.000 0.130 0.000 1.208 2105 F HN 0.531 nan 8.300 nan 0.000 0.453 2106 L N 4.919 126.112 121.223 -0.049 0.000 2.370 2106 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 2106 L C -0.990 175.956 176.870 0.127 0.000 1.002 2106 L CA -0.583 54.340 54.840 0.139 0.000 0.818 2106 L CB 2.097 44.247 42.059 0.151 0.000 1.325 2106 L HN 0.633 nan 8.230 nan 0.000 0.418 2107 D N 0.013 120.595 120.400 0.303 0.000 2.523 2107 D HA 0.299 4.939 4.640 -0.000 0.000 0.236 2107 D C -1.634 174.919 176.300 0.421 0.000 1.094 2107 D CA -0.452 53.751 54.000 0.337 0.000 0.942 2107 D CB 2.588 43.595 40.800 0.345 0.000 1.447 2107 D HN 0.379 nan 8.370 nan 0.000 0.479 2108 Y N 1.092 121.542 120.300 0.250 0.000 2.332 2108 Y HA 0.395 4.944 4.550 -0.000 0.000 0.326 2108 Y C -1.999 174.011 175.900 0.182 0.000 0.978 2108 Y CA -1.082 57.161 58.100 0.238 0.000 1.205 2108 Y CB 1.249 39.892 38.460 0.306 0.000 1.131 2108 Y HN 0.427 nan 8.280 nan 0.000 0.462 2109 Y N 5.066 125.165 120.300 -0.335 0.000 2.331 2109 Y HA 0.787 5.336 4.550 -0.000 0.000 0.338 2109 Y C -0.955 174.622 175.900 -0.537 0.000 0.992 2109 Y CA -0.643 57.265 58.100 -0.321 0.000 1.121 2109 Y CB 1.020 39.344 38.460 -0.228 0.000 1.184 2109 Y HN 0.758 nan 8.280 nan 0.000 0.469 2110 A N 4.398 126.805 122.820 -0.688 0.000 2.393 2110 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 2110 A C -0.765 176.287 177.584 -0.888 0.000 1.050 2110 A CA -0.331 51.340 52.037 -0.610 0.000 0.724 2110 A CB 1.907 20.673 19.000 -0.391 0.000 1.248 2110 A HN 0.705 nan 8.150 nan 0.000 0.424 2111 T N -0.065 114.107 114.554 -0.636 0.000 2.700 2111 T HA 0.509 4.859 4.350 -0.000 0.000 0.307 2111 T C 1.128 175.775 174.700 -0.088 0.000 1.580 2111 T CA 0.473 62.254 62.100 -0.532 0.000 0.992 2111 T CB 0.688 69.432 68.868 -0.207 0.000 1.577 2111 T HN 1.419 nan 8.240 nan 0.000 0.496 2112 G N 0.974 109.824 108.800 0.084 0.000 2.484 2112 G HA2 0.123 4.083 3.960 -0.000 0.000 0.215 2112 G HA3 0.123 4.083 3.960 -0.000 0.000 0.215 2112 G C 0.292 175.251 174.900 0.098 0.000 1.219 2112 G CA 0.913 46.114 45.100 0.168 0.000 0.791 2112 G HN 0.664 nan 8.290 nan 0.000 0.550 2113 K N -0.245 120.199 120.400 0.073 0.000 2.507 2113 K HA 0.382 4.702 4.320 -0.000 0.000 0.251 2113 K C -1.473 175.155 176.600 0.047 0.000 0.943 2113 K CA -0.961 55.358 56.287 0.053 0.000 0.794 2113 K CB 2.171 34.697 32.500 0.044 0.000 1.188 2113 K HN 0.087 nan 8.250 nan 0.000 0.428 2114 L N 3.917 125.161 121.223 0.034 0.000 2.534 2114 L HA 0.078 4.418 4.340 -0.000 0.000 0.271 2114 L C -0.345 176.516 176.870 -0.016 0.000 1.178 2114 L CA 0.876 55.725 54.840 0.015 0.000 0.907 2114 L CB 0.286 42.328 42.059 -0.028 0.000 1.164 2114 L HN 0.508 nan 8.230 nan 0.000 0.482 2115 D N 4.211 124.593 120.400 -0.030 0.000 2.473 2115 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 2115 D C 1.284 177.518 176.300 -0.110 0.000 1.089 2115 D CA -0.122 53.849 54.000 -0.048 0.000 0.883 2115 D CB 1.134 41.918 40.800 -0.027 0.000 1.029 2115 D HN 0.482 nan 8.370 nan 0.000 0.517 2116 V N 1.954 121.804 119.914 -0.108 0.000 2.363 2116 V HA -0.287 3.833 4.120 -0.000 0.000 0.254 2116 V C 1.423 177.432 176.094 -0.141 0.000 1.074 2116 V CA 1.730 63.947 62.300 -0.138 0.000 1.069 2116 V CB -0.446 31.319 31.823 -0.097 0.000 0.659 2116 V HN 0.312 nan 8.190 nan 0.000 0.455 2117 D N 1.013 121.354 120.400 -0.099 0.000 2.149 2117 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 2117 D C 2.551 178.795 176.300 -0.093 0.000 0.972 2117 D CA 2.230 56.184 54.000 -0.077 0.000 0.835 2117 D CB -0.483 40.295 40.800 -0.036 0.000 0.966 2117 D HN 0.784 nan 8.370 nan 0.000 0.476 2118 T N -1.338 113.136 114.554 -0.134 0.000 2.896 2118 T HA 0.112 4.462 4.350 -0.000 0.000 0.263 2118 T C 2.117 176.636 174.700 -0.301 0.000 1.050 2118 T CA 1.084 63.058 62.100 -0.210 0.000 1.140 2118 T CB -0.286 68.379 68.868 -0.339 0.000 0.877 2118 T HN 0.056 nan 8.240 nan 0.000 0.457 2119 A N 1.862 124.454 122.820 -0.380 0.000 1.902 2119 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 2119 A C 2.680 180.021 177.584 -0.404 0.000 1.181 2119 A CA 1.966 53.617 52.037 -0.642 0.000 0.623 2119 A CB -1.132 17.333 19.000 -0.892 0.000 0.818 2119 A HN 0.528 nan 8.150 nan 0.000 0.443 2120 S N -0.296 115.245 115.700 -0.265 0.000 2.423 2120 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 2120 S C 2.191 176.725 174.600 -0.109 0.000 1.014 2120 S CA 0.976 59.075 58.200 -0.169 0.000 0.965 2120 S CB -0.322 62.803 63.200 -0.125 0.000 0.785 2120 S HN 0.776 nan 8.310 nan 0.000 0.495 2121 A N 0.985 123.753 122.820 -0.087 0.000 1.929 2121 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 2121 A C 2.281 179.859 177.584 -0.009 0.000 1.176 2121 A CA 1.121 53.147 52.037 -0.018 0.000 0.628 2121 A CB -0.669 18.364 19.000 0.055 0.000 0.816 2121 A HN 0.341 nan 8.150 nan 0.000 0.444 2122 V N 0.671 120.556 119.914 -0.048 0.000 2.307 2122 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 2122 V C 2.382 178.464 176.094 -0.020 0.000 1.045 2122 V CA 1.622 63.914 62.300 -0.014 0.000 1.024 2122 V CB -0.612 31.177 31.823 -0.056 0.000 0.651 2122 V HN 0.504 nan 8.190 nan 0.000 0.449 2123 I N 0.081 120.608 120.570 -0.072 0.000 2.361 2123 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 2123 I C 2.633 178.727 176.117 -0.039 0.000 1.133 2123 I CA 1.628 62.898 61.300 -0.050 0.000 1.413 2123 I CB -1.403 36.543 38.000 -0.091 0.000 1.073 2123 I HN 0.331 nan 8.210 nan 0.000 0.424 2124 S N 0.897 116.570 115.700 -0.045 0.000 2.383 2124 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 2124 S C 2.126 176.705 174.600 -0.036 0.000 1.026 2124 S CA 1.444 59.621 58.200 -0.038 0.000 0.981 2124 S CB -0.402 62.778 63.200 -0.034 0.000 0.818 2124 S HN 0.542 nan 8.310 nan 0.000 0.472 2125 G N 1.249 110.032 108.800 -0.028 0.000 2.402 2125 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.216 2125 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.216 2125 G C 1.381 176.241 174.900 -0.066 0.000 1.162 2125 G CA 0.693 45.772 45.100 -0.035 0.000 0.777 2125 G HN 0.549 nan 8.290 nan 0.000 0.539 2126 I N 1.396 121.930 120.570 -0.061 0.000 2.226 2126 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 2126 I C 3.264 179.294 176.117 -0.145 0.000 1.100 2126 I CA 1.027 62.257 61.300 -0.118 0.000 1.374 2126 I CB -0.171 37.813 38.000 -0.027 0.000 1.057 2126 I HN 0.242 nan 8.210 nan 0.000 0.413 2127 A N 0.278 123.053 122.820 -0.075 0.000 1.972 2127 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 2127 A C 2.189 179.729 177.584 -0.073 0.000 1.169 2127 A CA 1.953 53.955 52.037 -0.059 0.000 0.635 2127 A CB -0.460 18.521 19.000 -0.031 0.000 0.810 2127 A HN 0.432 nan 8.150 nan 0.000 0.446 2128 E N 0.137 120.291 120.200 -0.077 0.000 2.072 2128 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 2128 E C 1.962 178.502 176.600 -0.100 0.000 0.982 2128 E CA 1.510 57.866 56.400 -0.074 0.000 0.803 2128 E CB -0.794 28.868 29.700 -0.063 0.000 0.755 2128 E HN 0.360 nan 8.360 nan 0.000 0.453 2129 G N -0.206 108.509 108.800 -0.141 0.000 2.422 2129 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 2129 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 2129 G C 1.800 176.590 174.900 -0.184 0.000 1.146 2129 G CA 0.969 45.962 45.100 -0.178 0.000 0.769 2129 G HN 0.432 nan 8.290 nan 0.000 0.547 2130 C N -0.273 118.908 119.300 -0.198 0.000 2.440 2130 C HA 0.098 4.557 4.460 -0.000 0.000 0.278 2130 C C 2.692 177.641 174.990 -0.069 0.000 1.295 2130 C CA 0.281 59.215 59.018 -0.140 0.000 1.738 2130 C CB -0.905 26.772 27.740 -0.106 0.000 1.987 2130 C HN 0.388 nan 8.230 nan 0.000 0.492 2131 L N 0.813 121.998 121.223 -0.064 0.000 2.046 2131 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 2131 L C 2.584 179.428 176.870 -0.042 0.000 1.077 2131 L CA 1.840 56.656 54.840 -0.040 0.000 0.747 2131 L CB -0.736 41.299 42.059 -0.039 0.000 0.896 2131 L HN 0.406 nan 8.230 nan 0.000 0.432 2132 Q N -1.899 117.864 119.800 -0.062 0.000 2.230 2132 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 2132 Q C 2.100 178.065 176.000 -0.058 0.000 0.963 2132 Q CA 1.382 57.147 55.803 -0.063 0.000 0.866 2132 Q CB 0.038 28.725 28.738 -0.085 0.000 0.931 2132 Q HN 0.458 nan 8.270 nan 0.000 0.452 2133 S N -0.925 114.736 115.700 -0.065 0.000 2.446 2133 S HA 0.069 4.539 4.470 -0.000 0.000 0.225 2133 S C 1.340 175.931 174.600 -0.016 0.000 1.016 2133 S CA 0.758 58.929 58.200 -0.049 0.000 0.943 2133 S CB 0.445 63.606 63.200 -0.066 0.000 0.786 2133 S HN 0.641 nan 8.310 nan 0.000 0.508 2134 G N 1.053 109.849 108.800 -0.008 0.000 2.157 2134 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.239 2134 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.239 2134 G C 0.241 175.164 174.900 0.038 0.000 0.982 2134 G CA 0.042 45.151 45.100 0.015 0.000 0.650 2134 G HN 0.843 nan 8.290 nan 0.000 0.527 2135 C N -0.332 118.993 119.300 0.041 0.000 2.401 2135 C HA 0.950 5.410 4.460 -0.000 0.000 0.356 2135 C C 0.730 175.784 174.990 0.106 0.000 1.192 2135 C CA -0.415 58.656 59.018 0.089 0.000 2.028 2135 C CB 1.674 29.477 27.740 0.105 0.000 2.344 2135 C HN 0.541 nan 8.230 nan 0.000 0.525 2136 S N 0.557 116.360 115.700 0.171 0.000 2.593 2136 S HA 0.628 5.097 4.470 -0.000 0.000 0.297 2136 S C -0.651 174.080 174.600 0.218 0.000 1.112 2136 S CA -0.394 57.900 58.200 0.156 0.000 1.043 2136 S CB 1.347 64.629 63.200 0.135 0.000 1.054 2136 S HN 0.793 nan 8.310 nan 0.000 0.516 2137 L N 4.111 125.430 121.223 0.160 0.000 2.288 2137 L HA 0.359 4.698 4.340 -0.000 0.000 0.283 2137 L C 0.662 177.612 176.870 0.133 0.000 1.072 2137 L CA -0.012 54.944 54.840 0.194 0.000 0.862 2137 L CB 0.446 42.586 42.059 0.134 0.000 1.245 2137 L HN 0.610 nan 8.230 nan 0.000 0.432 2138 V N 2.095 122.090 119.914 0.135 0.000 3.471 2138 V HA 0.714 4.833 4.120 -0.000 0.000 0.258 2138 V C 0.722 176.819 176.094 0.005 0.000 1.192 2138 V CA 0.827 63.139 62.300 0.021 0.000 1.116 2138 V CB -0.271 31.481 31.823 -0.118 0.000 0.792 2138 V HN 0.733 nan 8.190 nan 0.000 0.459 2139 G N -1.930 106.905 108.800 0.059 0.000 2.559 2139 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 2139 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 2139 G C -0.668 174.288 174.900 0.094 0.000 1.424 2139 G CA -0.098 45.028 45.100 0.042 0.000 0.786 2139 G HN 1.184 nan 8.290 nan 0.000 0.485 2140 G N -1.098 107.750 108.800 0.079 0.000 2.368 2140 G HA2 0.571 4.531 3.960 -0.000 0.000 0.293 2140 G HA3 0.571 4.531 3.960 -0.000 0.000 0.293 2140 G C -2.060 172.902 174.900 0.102 0.000 1.467 2140 G CA -0.371 44.806 45.100 0.128 0.000 0.804 2140 G HN 0.724 nan 8.290 nan 0.000 0.535 2141 E N -0.863 119.427 120.200 0.150 0.000 2.312 2141 E HA 0.783 5.133 4.350 -0.000 0.000 0.267 2141 E C -0.865 175.723 176.600 -0.019 0.000 0.894 2141 E CA -0.547 55.913 56.400 0.101 0.000 0.773 2141 E CB 2.129 31.971 29.700 0.237 0.000 1.241 2141 E HN 0.400 nan 8.360 nan 0.000 0.432 2142 T N 1.963 116.491 114.554 -0.044 0.000 3.064 2142 T HA 0.685 5.035 4.350 -0.000 0.000 0.367 2142 T C -0.843 173.820 174.700 -0.061 0.000 1.202 2142 T CA -0.536 61.526 62.100 -0.063 0.000 1.133 2142 T CB 0.840 69.666 68.868 -0.070 0.000 1.074 2142 T HN 0.484 nan 8.240 nan 0.000 0.519 2143 A N 3.071 125.804 122.820 -0.146 0.000 2.249 2143 A HA 0.542 4.862 4.320 -0.000 0.000 0.314 2143 A C 0.203 177.776 177.584 -0.018 0.000 1.290 2143 A CA -0.707 51.300 52.037 -0.051 0.000 0.893 2143 A CB 0.415 19.418 19.000 0.005 0.000 1.165 2143 A HN 0.721 nan 8.150 nan 0.000 0.530 2144 E N 2.650 122.869 120.200 0.032 0.000 2.194 2144 E HA 0.327 4.677 4.350 -0.000 0.000 0.284 2144 E C -0.776 175.888 176.600 0.106 0.000 1.035 2144 E CA -0.116 56.316 56.400 0.055 0.000 0.836 2144 E CB 0.811 30.542 29.700 0.051 0.000 1.070 2144 E HN 0.552 nan 8.360 nan 0.000 0.401 2145 M N 5.025 124.728 119.600 0.171 0.000 2.389 2145 M HA 0.184 4.664 4.480 -0.000 0.000 0.206 2145 M C -2.142 174.300 176.300 0.238 0.000 0.976 2145 M CA -2.164 53.272 55.300 0.227 0.000 0.648 2145 M CB 0.682 33.492 32.600 0.349 0.000 1.474 2145 M HN 0.187 nan 8.290 nan 0.000 0.398 2146 P HA -0.170 nan 4.420 nan 0.000 0.216 2146 P C 1.384 178.784 177.300 0.167 0.000 1.154 2146 P CA 2.165 65.354 63.100 0.148 0.000 0.865 2146 P CB 0.180 31.935 31.700 0.092 0.000 0.789 2147 G N -0.919 107.955 108.800 0.123 0.000 2.464 2147 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 2147 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 2147 G C 1.613 176.549 174.900 0.060 0.000 1.138 2147 G CA 0.589 45.763 45.100 0.123 0.000 0.793 2147 G HN 0.243 nan 8.290 nan 0.000 0.539 2148 M N -0.680 118.916 119.600 -0.007 0.000 2.115 2148 M HA 0.239 4.719 4.480 -0.000 0.000 0.261 2148 M C -0.051 176.034 176.300 -0.359 0.000 1.079 2148 M CA 0.735 55.899 55.300 -0.227 0.000 1.143 2148 M CB 0.283 32.710 32.600 -0.287 0.000 1.332 2148 M HN 0.111 nan 8.290 nan 0.000 0.421 2149 Y N 0.988 121.282 120.300 -0.011 0.000 2.326 2149 Y HA 0.288 4.837 4.550 -0.000 0.000 0.337 2149 Y C -0.311 175.683 175.900 0.157 0.000 1.023 2149 Y CA -0.907 57.195 58.100 0.003 0.000 1.143 2149 Y CB 0.391 38.859 38.460 0.014 0.000 1.183 2149 Y HN 0.144 nan 8.280 nan 0.000 0.485 2150 H N 0.946 120.092 119.070 0.127 0.000 2.525 2150 H HA 0.559 5.114 4.556 -0.000 0.000 0.340 2150 H C 0.870 176.244 175.328 0.077 0.000 1.168 2150 H CA -0.462 55.633 56.048 0.078 0.000 1.247 2150 H CB 1.287 31.074 29.762 0.040 0.000 1.568 2150 H HN 0.807 nan 8.280 nan 0.000 0.536 2151 G N 1.633 110.528 108.800 0.159 0.000 2.591 2151 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.298 2151 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.298 2151 G C 0.577 175.536 174.900 0.099 0.000 1.195 2151 G CA 0.760 45.920 45.100 0.099 0.000 0.989 2151 G HN 0.650 nan 8.290 nan 0.000 0.551 2152 E N 1.086 121.344 120.200 0.095 0.000 2.526 2152 E HA 0.206 4.556 4.350 -0.000 0.000 0.208 2152 E C -0.533 176.135 176.600 0.113 0.000 0.997 2152 E CA -0.153 56.307 56.400 0.101 0.000 0.961 2152 E CB 0.360 30.119 29.700 0.097 0.000 1.030 2152 E HN 0.451 nan 8.360 nan 0.000 0.483 2153 D N 1.657 122.104 120.400 0.079 0.000 2.533 2153 D HA -0.037 4.602 4.640 -0.000 0.000 0.236 2153 D C -0.399 175.876 176.300 -0.041 0.000 1.137 2153 D CA 0.916 54.916 54.000 -0.001 0.000 0.867 2153 D CB 0.147 40.986 40.800 0.064 0.000 1.170 2153 D HN 0.124 nan 8.370 nan 0.000 0.474 2154 Y N -0.976 119.203 120.300 -0.201 0.000 2.581 2154 Y HA 0.645 5.194 4.550 -0.000 0.000 0.345 2154 Y C -1.204 174.451 175.900 -0.409 0.000 1.036 2154 Y CA -1.588 56.208 58.100 -0.508 0.000 1.042 2154 Y CB 1.613 39.680 38.460 -0.655 0.000 1.289 2154 Y HN 0.073 nan 8.280 nan 0.000 0.471 2155 D N 1.048 121.248 120.400 -0.334 0.000 2.787 2155 D HA 0.626 5.266 4.640 -0.000 0.000 0.246 2155 D C -1.736 174.500 176.300 -0.107 0.000 1.150 2155 D CA -0.412 53.509 54.000 -0.131 0.000 0.864 2155 D CB 2.334 43.153 40.800 0.032 0.000 1.481 2155 D HN 0.619 nan 8.370 nan 0.000 0.509 2156 V N 1.586 121.514 119.914 0.024 0.000 2.540 2156 V HA 0.907 5.027 4.120 -0.000 0.000 0.302 2156 V C 0.060 176.202 176.094 0.080 0.000 1.035 2156 V CA -1.071 61.272 62.300 0.072 0.000 0.873 2156 V CB 1.263 33.178 31.823 0.152 0.000 0.992 2156 V HN 0.739 nan 8.190 nan 0.000 0.428 2157 A N 2.852 125.729 122.820 0.094 0.000 2.330 2157 A HA 0.925 5.245 4.320 -0.000 0.000 0.327 2157 A C 0.224 177.632 177.584 -0.293 0.000 1.155 2157 A CA -0.145 51.824 52.037 -0.114 0.000 0.803 2157 A CB 1.451 20.373 19.000 -0.130 0.000 1.208 2157 A HN 1.214 nan 8.150 nan 0.000 0.477 2158 G N 0.107 108.642 108.800 -0.441 0.000 2.400 2158 G HA2 0.670 4.630 3.960 -0.000 0.000 0.333 2158 G HA3 0.670 4.630 3.960 -0.000 0.000 0.333 2158 G C -1.233 173.073 174.900 -0.991 0.000 1.143 2158 G CA -0.423 44.393 45.100 -0.474 0.000 0.914 2158 G HN 0.434 nan 8.290 nan 0.000 0.480 2159 F N 0.256 119.733 119.950 -0.788 0.000 2.585 2159 F HA 0.516 5.042 4.527 -0.000 0.000 0.319 2159 F C -0.075 175.312 175.800 -0.689 0.000 1.165 2159 F CA -1.017 56.675 58.000 -0.514 0.000 0.949 2159 F CB 2.027 40.857 39.000 -0.283 0.000 1.218 2159 F HN 0.594 nan 8.300 nan 0.000 0.453 2160 C N 3.692 122.878 119.300 -0.189 0.000 2.698 2160 C HA 0.925 5.385 4.460 -0.000 0.000 0.309 2160 C C -1.241 173.639 174.990 -0.184 0.000 1.186 2160 C CA -0.520 58.430 59.018 -0.113 0.000 1.474 2160 C CB 1.192 29.021 27.740 0.148 0.000 2.020 2160 C HN 0.647 nan 8.230 nan 0.000 0.474 2161 V N 5.173 124.831 119.914 -0.425 0.000 2.409 2161 V HA 0.790 4.909 4.120 -0.000 0.000 0.291 2161 V C 0.747 176.598 176.094 -0.406 0.000 1.020 2161 V CA 0.134 62.125 62.300 -0.515 0.000 0.848 2161 V CB 1.347 32.598 31.823 -0.953 0.000 0.990 2161 V HN 1.146 nan 8.190 nan 0.000 0.430 2162 G N 3.109 111.770 108.800 -0.233 0.000 2.511 2162 G HA2 0.743 4.703 3.960 -0.000 0.000 0.318 2162 G HA3 0.743 4.703 3.960 -0.000 0.000 0.318 2162 G C -1.208 173.582 174.900 -0.184 0.000 1.210 2162 G CA -0.645 44.356 45.100 -0.165 0.000 0.969 2162 G HN 0.579 nan 8.290 nan 0.000 0.484 2163 V N -0.261 119.529 119.914 -0.207 0.000 2.680 2163 V HA 0.759 4.878 4.120 -0.000 0.000 0.309 2163 V C -0.212 175.595 176.094 -0.478 0.000 1.052 2163 V CA -0.679 61.392 62.300 -0.383 0.000 0.908 2163 V CB 1.457 32.965 31.823 -0.524 0.000 1.001 2163 V HN 0.700 nan 8.190 nan 0.000 0.431 2164 V N 0.763 120.376 119.914 -0.502 0.000 3.078 2164 V HA 0.608 4.728 4.120 -0.000 0.000 0.311 2164 V C -0.732 175.225 176.094 -0.228 0.000 1.138 2164 V CA -0.991 61.140 62.300 -0.283 0.000 1.007 2164 V CB 2.118 33.878 31.823 -0.106 0.000 1.045 2164 V HN 0.848 nan 8.190 nan 0.000 0.432 2165 E N 1.198 121.452 120.200 0.089 0.000 2.289 2165 E HA 0.267 4.617 4.350 -0.000 0.000 0.278 2165 E C 0.881 177.517 176.600 0.059 0.000 1.032 2165 E CA -0.024 56.484 56.400 0.180 0.000 0.854 2165 E CB 1.425 31.267 29.700 0.237 0.000 1.046 2165 E HN 0.662 nan 8.360 nan 0.000 0.409 2166 K N 2.199 122.621 120.400 0.037 0.000 2.074 2166 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 2166 K C 1.483 178.094 176.600 0.018 0.000 1.048 2166 K CA 1.889 58.184 56.287 0.014 0.000 0.926 2166 K CB -0.092 32.415 32.500 0.012 0.000 0.713 2166 K HN 0.587 nan 8.250 nan 0.000 0.444 2167 S N -0.302 115.415 115.700 0.029 0.000 2.453 2167 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 2167 S C 1.238 175.853 174.600 0.025 0.000 1.005 2167 S CA 0.751 58.965 58.200 0.023 0.000 0.949 2167 S CB 0.086 63.300 63.200 0.024 0.000 0.774 2167 S HN 0.278 nan 8.310 nan 0.000 0.510 2168 E N 0.727 120.949 120.200 0.037 0.000 2.419 2168 E HA 0.391 4.741 4.350 -0.000 0.000 0.190 2168 E C -0.438 176.179 176.600 0.030 0.000 1.040 2168 E CA -0.207 56.217 56.400 0.039 0.000 0.900 2168 E CB -0.009 29.728 29.700 0.061 0.000 1.054 2168 E HN 0.612 nan 8.360 nan 0.000 0.462 2169 I N 1.603 122.183 120.570 0.016 0.000 2.471 2169 I HA 0.062 4.232 4.170 -0.000 0.000 0.286 2169 I C 0.280 176.400 176.117 0.005 0.000 1.079 2169 I CA -0.145 61.157 61.300 0.005 0.000 1.398 2169 I CB 0.662 38.659 38.000 -0.005 0.000 1.403 2169 I HN -0.044 nan 8.210 nan 0.000 0.530 2170 I N 6.719 127.292 120.570 0.005 0.000 2.347 2170 I HA -0.006 4.164 4.170 -0.000 0.000 0.294 2170 I C 0.360 176.477 176.117 -0.001 0.000 1.090 2170 I CA 0.147 61.451 61.300 0.006 0.000 1.314 2170 I CB 0.353 38.356 38.000 0.007 0.000 1.423 2170 I HN 0.661 nan 8.210 nan 0.000 0.503 2171 D N 3.374 123.772 120.400 -0.003 0.000 2.433 2171 D HA 0.149 4.789 4.640 -0.000 0.000 0.211 2171 D C 1.167 177.462 176.300 -0.008 0.000 1.114 2171 D CA -0.061 53.935 54.000 -0.007 0.000 0.837 2171 D CB 0.608 41.403 40.800 -0.009 0.000 0.984 2171 D HN 0.619 nan 8.370 nan 0.000 0.505 2172 G N 0.689 109.486 108.800 -0.005 0.000 2.246 2172 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.273 2172 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.273 2172 G C 0.903 175.792 174.900 -0.018 0.000 1.055 2172 G CA 0.724 45.821 45.100 -0.004 0.000 0.851 2172 G HN 0.696 nan 8.290 nan 0.000 0.500 2173 S N -1.702 113.977 115.700 -0.035 0.000 2.512 2173 S HA 0.227 4.697 4.470 -0.000 0.000 0.216 2173 S C 1.615 176.156 174.600 -0.098 0.000 1.006 2173 S CA 0.693 58.862 58.200 -0.051 0.000 0.915 2173 S CB 0.187 63.362 63.200 -0.041 0.000 0.824 2173 S HN 0.441 nan 8.310 nan 0.000 0.497 2174 K N 1.461 121.769 120.400 -0.152 0.000 2.486 2174 K HA 0.200 4.520 4.320 -0.000 0.000 0.194 2174 K C -0.199 176.129 176.600 -0.454 0.000 1.033 2174 K CA 0.085 56.158 56.287 -0.357 0.000 1.004 2174 K CB -0.021 32.193 32.500 -0.477 0.000 0.798 2174 K HN 0.247 nan 8.250 nan 0.000 0.495 2175 V N 2.625 122.444 119.914 -0.158 0.000 2.529 2175 V HA -0.032 4.088 4.120 -0.000 0.000 0.292 2175 V C 0.432 176.510 176.094 -0.026 0.000 1.028 2175 V CA 0.045 62.338 62.300 -0.012 0.000 1.074 2175 V CB 0.649 32.488 31.823 0.026 0.000 0.958 2175 V HN 0.288 nan 8.190 nan 0.000 0.481 2176 S N 2.100 117.815 115.700 0.024 0.000 2.697 2176 S HA 0.481 4.950 4.470 -0.000 0.000 0.289 2176 S C -0.852 173.768 174.600 0.033 0.000 1.149 2176 S CA -1.081 57.126 58.200 0.012 0.000 0.850 2176 S CB 1.574 64.771 63.200 -0.005 0.000 1.151 2176 S HN 0.691 nan 8.310 nan 0.000 0.491 2177 D N -0.170 120.243 120.400 0.021 0.000 2.434 2177 D HA 0.445 5.084 4.640 -0.000 0.000 0.252 2177 D C 1.336 177.653 176.300 0.027 0.000 1.185 2177 D CA 1.803 55.817 54.000 0.022 0.000 0.886 2177 D CB -0.318 40.492 40.800 0.016 0.000 1.148 2177 D HN 1.189 nan 8.370 nan 0.000 0.483 2178 G N 3.249 112.065 108.800 0.027 0.000 2.211 2178 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.201 2178 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.201 2178 G C -0.169 174.744 174.900 0.022 0.000 0.997 2178 G CA -0.251 44.863 45.100 0.024 0.000 0.652 2178 G HN 0.595 nan 8.290 nan 0.000 0.500 2179 D N 1.268 121.687 120.400 0.032 0.000 2.401 2179 D HA 0.414 5.053 4.640 -0.000 0.000 0.254 2179 D C 0.917 177.207 176.300 -0.018 0.000 1.192 2179 D CA 0.160 54.172 54.000 0.019 0.000 0.885 2179 D CB 1.573 42.410 40.800 0.061 0.000 1.147 2179 D HN 0.185 nan 8.370 nan 0.000 0.478 2180 V N 3.746 123.633 119.914 -0.044 0.000 2.775 2180 V HA 0.158 4.278 4.120 -0.000 0.000 0.299 2180 V C 0.667 176.706 176.094 -0.092 0.000 1.062 2180 V CA -0.511 61.755 62.300 -0.056 0.000 1.063 2180 V CB 0.952 32.742 31.823 -0.054 0.000 0.994 2180 V HN 0.331 nan 8.190 nan 0.000 0.483 2181 L N 5.406 126.567 121.223 -0.104 0.000 2.295 2181 L HA 0.588 4.928 4.340 -0.000 0.000 0.285 2181 L C -0.533 176.196 176.870 -0.235 0.000 1.035 2181 L CA -0.294 54.449 54.840 -0.162 0.000 0.806 2181 L CB 1.460 43.428 42.059 -0.151 0.000 1.214 2181 L HN 0.462 nan 8.230 nan 0.000 0.426 2182 I N 2.761 123.154 120.570 -0.295 0.000 2.418 2182 I HA 0.490 4.660 4.170 -0.000 0.000 0.287 2182 I C -0.012 175.781 176.117 -0.539 0.000 1.008 2182 I CA -0.426 60.643 61.300 -0.386 0.000 1.104 2182 I CB 2.030 39.872 38.000 -0.264 0.000 1.264 2182 I HN 0.621 nan 8.210 nan 0.000 0.438 2183 A N 7.680 129.962 122.820 -0.897 0.000 2.306 2183 A HA 0.835 5.154 4.320 -0.000 0.000 0.314 2183 A C -0.695 176.374 177.584 -0.859 0.000 1.164 2183 A CA -0.491 50.909 52.037 -1.063 0.000 0.822 2183 A CB 0.803 18.795 19.000 -1.679 0.000 1.130 2183 A HN 0.710 nan 8.150 nan 0.000 0.496 2184 L N 2.723 123.622 121.223 -0.539 0.000 2.298 2184 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 2184 L C 1.013 177.871 176.870 -0.020 0.000 1.013 2184 L CA -0.758 53.936 54.840 -0.243 0.000 0.824 2184 L CB 1.442 43.254 42.059 -0.413 0.000 1.221 2184 L HN 0.892 nan 8.230 nan 0.000 0.418 2185 G N 1.825 110.808 108.800 0.305 0.000 2.491 2185 G HA2 0.262 4.222 3.960 -0.000 0.000 0.238 2185 G HA3 0.262 4.222 3.960 -0.000 0.000 0.238 2185 G C 0.274 175.389 174.900 0.358 0.000 1.277 2185 G CA -0.216 45.107 45.100 0.373 0.000 0.851 2185 G HN 0.667 nan 8.290 nan 0.000 0.573 2186 S N -0.509 115.345 115.700 0.256 0.000 2.687 2186 S HA 0.438 4.908 4.470 -0.000 0.000 0.283 2186 S C 1.255 175.997 174.600 0.236 0.000 1.170 2186 S CA 0.123 58.443 58.200 0.201 0.000 1.008 2186 S CB 1.762 64.777 63.200 -0.308 0.000 1.026 2186 S HN 1.095 nan 8.310 nan 0.000 0.541 2187 S N -0.003 115.899 115.700 0.337 0.000 2.650 2187 S HA 0.516 4.986 4.470 -0.000 0.000 0.219 2187 S C 1.060 175.781 174.600 0.202 0.000 0.960 2187 S CA 0.047 58.390 58.200 0.238 0.000 0.925 2187 S CB -1.107 62.222 63.200 0.215 0.000 0.775 2187 S HN 1.780 nan 8.310 nan 0.000 0.525 2188 G N 1.566 110.491 108.800 0.208 0.000 2.240 2188 G HA2 0.057 4.017 3.960 -0.000 0.000 0.199 2188 G HA3 0.057 4.017 3.960 -0.000 0.000 0.199 2188 G C -2.771 172.307 174.900 0.297 0.000 1.342 2188 G CA -0.241 44.973 45.100 0.189 0.000 1.145 2188 G HN 0.071 nan 8.290 nan 0.000 0.477 2189 P HA 0.088 nan 4.420 nan 0.000 0.228 2189 P C 1.028 178.632 177.300 0.506 0.000 1.151 2189 P CA 1.732 65.053 63.100 0.368 0.000 0.770 2189 P CB -0.082 31.659 31.700 0.069 0.000 0.786 2190 H N -2.204 117.081 119.070 0.359 0.000 1.452 2190 H HA -0.192 4.364 4.556 -0.000 0.000 0.090 2190 H C 0.659 176.172 175.328 0.308 0.000 0.620 2190 H CA 1.077 57.298 56.048 0.288 0.000 1.901 2190 H CB -1.931 27.986 29.762 0.258 0.000 2.257 2190 H HN 0.056 nan 8.280 nan 0.000 0.961 2191 S N 1.750 117.709 115.700 0.432 0.000 3.025 2191 S HA 0.301 4.771 4.470 -0.000 0.000 0.251 2191 S C -0.877 173.899 174.600 0.294 0.000 0.954 2191 S CA -0.273 58.073 58.200 0.242 0.000 1.092 2191 S CB -0.343 62.914 63.200 0.096 0.000 1.079 2191 S HN 0.462 nan 8.310 nan 0.000 0.543 2192 N N -0.018 118.956 118.700 0.457 0.000 2.331 2192 N HA 0.460 5.200 4.740 -0.000 0.000 0.280 2192 N C 0.266 175.934 175.510 0.264 0.000 1.155 2192 N CA 0.134 53.367 53.050 0.304 0.000 0.822 2192 N CB 1.705 40.279 38.487 0.146 0.000 1.619 2192 N HN 0.240 nan 8.380 nan 0.000 0.476 2193 G N 0.381 109.228 108.800 0.078 0.000 2.132 2193 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.234 2193 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.234 2193 G C 0.198 175.101 174.900 0.006 0.000 0.989 2193 G CA 0.075 45.025 45.100 -0.249 0.000 0.676 2193 G HN 0.589 nan 8.290 nan 0.000 0.522 2194 Y N 0.616 120.994 120.300 0.131 0.000 2.516 2194 Y HA 0.183 4.733 4.550 -0.000 0.000 0.291 2194 Y C 2.774 178.745 175.900 0.118 0.000 1.131 2194 Y CA 1.449 59.648 58.100 0.165 0.000 1.281 2194 Y CB -0.002 38.532 38.460 0.124 0.000 1.013 2194 Y HN 0.375 nan 8.280 nan 0.000 0.554 2195 S N -0.142 115.669 115.700 0.185 0.000 2.383 2195 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 2195 S C 2.053 176.720 174.600 0.112 0.000 1.026 2195 S CA 0.925 59.198 58.200 0.121 0.000 0.981 2195 S CB -0.339 62.904 63.200 0.073 0.000 0.818 2195 S HN 0.487 nan 8.310 nan 0.000 0.472 2196 L N 0.908 122.191 121.223 0.101 0.000 2.109 2196 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 2196 L C 2.233 179.233 176.870 0.217 0.000 1.086 2196 L CA 0.826 55.750 54.840 0.139 0.000 0.760 2196 L CB -0.302 41.822 42.059 0.108 0.000 0.910 2196 L HN 0.227 nan 8.230 nan 0.000 0.437 2197 V N -0.092 119.968 119.914 0.244 0.000 2.343 2197 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 2197 V C 2.577 178.764 176.094 0.156 0.000 1.051 2197 V CA 1.746 64.150 62.300 0.174 0.000 1.036 2197 V CB -0.614 31.224 31.823 0.025 0.000 0.654 2197 V HN 0.445 nan 8.190 nan 0.000 0.451 2198 R N 0.007 120.600 120.500 0.155 0.000 2.073 2198 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 2198 R C 2.436 178.802 176.300 0.111 0.000 1.134 2198 R CA 1.716 57.893 56.100 0.129 0.000 0.952 2198 R CB -0.373 29.999 30.300 0.120 0.000 0.850 2198 R HN 0.312 nan 8.270 nan 0.000 0.433 2199 K N 1.347 121.811 120.400 0.107 0.000 2.063 2199 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 2199 K C 1.757 178.411 176.600 0.089 0.000 1.048 2199 K CA 1.429 57.769 56.287 0.087 0.000 0.928 2199 K CB -0.263 32.284 32.500 0.079 0.000 0.713 2199 K HN 0.139 nan 8.250 nan 0.000 0.442 2200 I N 0.297 120.935 120.570 0.114 0.000 2.394 2200 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 2200 I C 1.692 177.889 176.117 0.135 0.000 1.136 2200 I CA 0.800 62.163 61.300 0.105 0.000 1.425 2200 I CB -0.102 37.976 38.000 0.131 0.000 1.079 2200 I HN 0.097 nan 8.210 nan 0.000 0.425 2201 L N 0.287 121.611 121.223 0.169 0.000 2.552 2201 L HA -0.094 4.245 4.340 -0.000 0.000 0.227 2201 L C 2.316 179.258 176.870 0.120 0.000 1.146 2201 L CA 0.688 55.638 54.840 0.184 0.000 0.858 2201 L CB -0.281 41.866 42.059 0.146 0.000 0.969 2201 L HN 0.333 nan 8.230 nan 0.000 0.451 2202 E N 0.370 120.624 120.200 0.091 0.000 2.094 2202 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 2202 E C 2.173 178.802 176.600 0.049 0.000 0.950 2202 E CA 1.030 57.469 56.400 0.065 0.000 0.842 2202 E CB 0.211 29.946 29.700 0.058 0.000 0.816 2202 E HN 0.226 nan 8.360 nan 0.000 0.465 2203 V N -0.211 119.727 119.914 0.040 0.000 2.568 2203 V HA -0.161 3.959 4.120 -0.000 0.000 0.253 2203 V C 1.957 178.056 176.094 0.008 0.000 1.072 2203 V CA 2.035 64.347 62.300 0.020 0.000 1.084 2203 V CB -0.446 31.384 31.823 0.011 0.000 0.676 2203 V HN 0.108 nan 8.190 nan 0.000 0.469 2204 S N 0.309 116.018 115.700 0.015 0.000 2.478 2204 S HA 0.349 4.819 4.470 -0.000 0.000 0.222 2204 S C 1.492 176.116 174.600 0.039 0.000 1.008 2204 S CA 0.672 58.875 58.200 0.004 0.000 0.928 2204 S CB -0.016 63.179 63.200 -0.009 0.000 0.781 2204 S HN 1.522 nan 8.310 nan 0.000 0.518 2205 G N 2.016 110.848 108.800 0.054 0.000 2.351 2205 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.297 2205 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.297 2205 G C -0.076 174.867 174.900 0.073 0.000 1.054 2205 G CA 0.225 45.357 45.100 0.054 0.000 1.123 2205 G HN 0.836 nan 8.290 nan 0.000 0.512 2206 C N 0.747 120.109 119.300 0.104 0.000 2.609 2206 C HA 0.765 5.224 4.460 -0.000 0.000 0.313 2206 C C -0.196 174.847 174.990 0.088 0.000 1.175 2206 C CA -1.143 57.948 59.018 0.122 0.000 1.434 2206 C CB 2.143 30.021 27.740 0.230 0.000 2.005 2206 C HN 0.599 nan 8.230 nan 0.000 0.471 2207 D N 5.827 126.259 120.400 0.053 0.000 2.313 2207 D HA 0.349 4.988 4.640 -0.000 0.000 0.239 2207 D C -1.133 175.159 176.300 -0.013 0.000 1.142 2207 D CA -2.030 51.983 54.000 0.022 0.000 0.847 2207 D CB 1.886 42.696 40.800 0.017 0.000 1.082 2207 D HN 0.544 nan 8.370 nan 0.000 0.480 2208 P HA -0.115 nan 4.420 nan 0.000 0.228 2208 P C 0.745 177.988 177.300 -0.094 0.000 1.151 2208 P CA 0.913 63.943 63.100 -0.117 0.000 0.770 2208 P CB 0.521 32.156 31.700 -0.109 0.000 0.786 2209 Q N -0.468 119.302 119.800 -0.050 0.000 2.354 2209 Q HA 0.011 4.351 4.340 -0.000 0.000 0.203 2209 Q C 1.498 177.479 176.000 -0.032 0.000 0.933 2209 Q CA 1.491 57.271 55.803 -0.039 0.000 0.901 2209 Q CB -0.062 28.662 28.738 -0.024 0.000 1.007 2209 Q HN 0.320 nan 8.270 nan 0.000 0.495 2210 T N -2.813 111.726 114.554 -0.025 0.000 3.134 2210 T HA 0.189 4.539 4.350 -0.000 0.000 0.260 2210 T C 0.315 175.006 174.700 -0.015 0.000 1.027 2210 T CA -0.348 61.744 62.100 -0.014 0.000 0.913 2210 T CB 0.469 69.337 68.868 -0.000 0.000 1.046 2210 T HN -0.186 nan 8.240 nan 0.000 0.553 2211 T N 2.938 117.466 114.554 -0.042 0.000 2.786 2211 T HA 0.427 4.776 4.350 -0.000 0.000 0.283 2211 T C -0.555 174.088 174.700 -0.095 0.000 0.992 2211 T CA -0.660 61.409 62.100 -0.052 0.000 0.954 2211 T CB 1.670 70.494 68.868 -0.073 0.000 0.934 2211 T HN 0.160 nan 8.240 nan 0.000 0.440 2212 E N 2.438 122.605 120.200 -0.055 0.000 2.277 2212 E HA 0.454 4.804 4.350 -0.000 0.000 0.274 2212 E C -0.742 175.805 176.600 -0.089 0.000 1.022 2212 E CA -0.600 55.767 56.400 -0.055 0.000 0.853 2212 E CB 1.991 31.683 29.700 -0.013 0.000 1.086 2212 E HN 0.436 nan 8.360 nan 0.000 0.397 2213 L N 2.880 124.041 121.223 -0.103 0.000 2.611 2213 L HA 0.125 4.464 4.340 -0.000 0.000 0.263 2213 L C -1.261 175.604 176.870 -0.007 0.000 0.969 2213 L CA -0.256 54.484 54.840 -0.166 0.000 0.894 2213 L CB 0.859 42.589 42.059 -0.549 0.000 1.229 2213 L HN 0.480 nan 8.230 nan 0.000 0.416 2214 D N 3.722 124.137 120.400 0.026 0.000 2.716 2214 D HA -0.160 4.480 4.640 -0.000 0.000 0.239 2214 D C 1.122 177.467 176.300 0.076 0.000 1.125 2214 D CA 1.817 55.859 54.000 0.070 0.000 0.681 2214 D CB -0.781 40.085 40.800 0.110 0.000 1.070 2214 D HN 1.109 nan 8.370 nan 0.000 0.432 2215 G N -1.188 107.641 108.800 0.048 0.000 2.234 2215 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 2215 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 2215 G C 0.394 175.310 174.900 0.027 0.000 0.987 2215 G CA 0.776 45.894 45.100 0.031 0.000 0.625 2215 G HN 0.548 nan 8.290 nan 0.000 0.532 2216 K N 0.424 120.860 120.400 0.060 0.000 2.385 2216 K HA 0.538 4.858 4.320 -0.000 0.000 0.248 2216 K C -2.905 173.734 176.600 0.065 0.000 0.955 2216 K CA -2.365 53.943 56.287 0.034 0.000 0.816 2216 K CB 2.533 35.009 32.500 -0.040 0.000 1.250 2216 K HN -0.101 nan 8.250 nan 0.000 0.434 2217 P HA -0.080 nan 4.420 nan 0.000 0.266 2217 P C 0.574 177.889 177.300 0.025 0.000 1.195 2217 P CA -0.142 62.952 63.100 -0.010 0.000 0.768 2217 P CB 0.495 32.178 31.700 -0.029 0.000 0.838 2218 L N 2.990 124.133 121.223 -0.134 0.000 2.265 2218 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 2218 L C 1.692 178.450 176.870 -0.188 0.000 1.117 2218 L CA 2.157 56.805 54.840 -0.319 0.000 0.782 2218 L CB -1.103 40.563 42.059 -0.655 0.000 0.914 2218 L HN 0.369 nan 8.230 nan 0.000 0.441 2219 A N -0.232 122.520 122.820 -0.113 0.000 1.930 2219 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 2219 A C 1.801 179.366 177.584 -0.031 0.000 1.175 2219 A CA 1.636 53.633 52.037 -0.068 0.000 0.627 2219 A CB -0.441 18.527 19.000 -0.054 0.000 0.815 2219 A HN 0.444 nan 8.150 nan 0.000 0.443 2220 D N -0.798 119.585 120.400 -0.029 0.000 2.117 2220 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 2220 D C 1.785 178.038 176.300 -0.077 0.000 0.987 2220 D CA 1.209 55.172 54.000 -0.061 0.000 0.829 2220 D CB -0.539 40.198 40.800 -0.104 0.000 0.961 2220 D HN 0.605 nan 8.370 nan 0.000 0.460 2221 H N 0.192 119.190 119.070 -0.120 0.000 2.319 2221 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 2221 H C 2.380 177.639 175.328 -0.115 0.000 1.092 2221 H CA 0.859 56.821 56.048 -0.142 0.000 1.302 2221 H CB -0.139 29.483 29.762 -0.233 0.000 1.373 2221 H HN 0.169 nan 8.280 nan 0.000 0.497 2222 L N 0.229 121.466 121.223 0.023 0.000 2.056 2222 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 2222 L C 2.404 179.394 176.870 0.200 0.000 1.078 2222 L CA 0.398 55.281 54.840 0.073 0.000 0.749 2222 L CB -0.200 41.889 42.059 0.048 0.000 0.901 2222 L HN 0.211 nan 8.230 nan 0.000 0.433 2223 L N 0.351 121.632 121.223 0.096 0.000 2.478 2223 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 2223 L C 1.356 178.253 176.870 0.045 0.000 1.140 2223 L CA 0.279 55.155 54.840 0.061 0.000 0.842 2223 L CB -1.205 40.859 42.059 0.008 0.000 0.953 2223 L HN 0.131 nan 8.230 nan 0.000 0.452 2224 A N 2.657 125.506 122.820 0.048 0.000 2.573 2224 A HA 0.126 4.446 4.320 -0.000 0.000 0.250 2224 A C -1.830 175.797 177.584 0.071 0.000 1.049 2224 A CA -0.661 51.398 52.037 0.037 0.000 0.767 2224 A CB -0.841 18.178 19.000 0.031 0.000 0.965 2224 A HN 0.097 nan 8.150 nan 0.000 0.514 2225 P HA 0.081 nan 4.420 nan 0.000 0.269 2225 P C -0.002 177.302 177.300 0.006 0.000 1.209 2225 P CA 0.037 63.140 63.100 0.005 0.000 0.776 2225 P CB 0.285 31.967 31.700 -0.030 0.000 0.876 2226 T N 3.590 118.111 114.554 -0.055 0.000 2.928 2226 T HA 0.060 4.410 4.350 -0.000 0.000 0.305 2226 T C 0.862 175.359 174.700 -0.337 0.000 1.035 2226 T CA -0.054 61.884 62.100 -0.270 0.000 1.145 2226 T CB 0.025 68.688 68.868 -0.343 0.000 0.963 2226 T HN 0.259 nan 8.240 nan 0.000 0.545 2227 R N 2.357 122.586 120.500 -0.451 0.000 2.491 2227 R HA 0.260 4.599 4.340 -0.000 0.000 0.283 2227 R C -0.094 175.771 176.300 -0.725 0.000 1.072 2227 R CA -0.130 55.674 56.100 -0.494 0.000 1.048 2227 R CB 0.374 30.366 30.300 -0.513 0.000 0.983 2227 R HN 0.583 nan 8.270 nan 0.000 0.450 2228 I N 4.248 124.499 120.570 -0.531 0.000 2.321 2228 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 2228 I C -0.097 175.794 176.117 -0.376 0.000 0.998 2228 I CA -0.278 60.790 61.300 -0.386 0.000 1.227 2228 I CB 0.956 38.825 38.000 -0.217 0.000 1.368 2228 I HN 0.649 nan 8.210 nan 0.000 0.466 2229 Y N 4.507 124.760 120.300 -0.078 0.000 2.507 2229 Y HA 0.070 4.620 4.550 -0.000 0.000 0.254 2229 Y C 1.644 177.509 175.900 -0.059 0.000 1.171 2229 Y CA -0.074 57.993 58.100 -0.056 0.000 1.238 2229 Y CB 0.009 38.436 38.460 -0.055 0.000 1.148 2229 Y HN 0.515 nan 8.280 nan 0.000 0.525 2230 V N 0.869 120.814 119.914 0.051 0.000 2.252 2230 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 2230 V C 2.190 178.299 176.094 0.024 0.000 1.056 2230 V CA 2.289 64.602 62.300 0.022 0.000 1.022 2230 V CB -0.061 31.758 31.823 -0.007 0.000 0.641 2230 V HN 0.243 nan 8.190 nan 0.000 0.445 2231 K N 0.495 120.905 120.400 0.018 0.000 2.152 2231 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 2231 K C 2.339 178.954 176.600 0.025 0.000 1.048 2231 K CA 1.897 58.194 56.287 0.017 0.000 0.933 2231 K CB -0.603 31.901 32.500 0.008 0.000 0.721 2231 K HN 0.613 nan 8.250 nan 0.000 0.447 2232 S N -0.521 115.204 115.700 0.042 0.000 2.377 2232 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 2232 S C 1.954 176.566 174.600 0.020 0.000 1.030 2232 S CA 0.880 59.104 58.200 0.040 0.000 0.970 2232 S CB -0.073 63.171 63.200 0.073 0.000 0.830 2232 S HN 0.007 nan 8.310 nan 0.000 0.473 2233 V N 1.843 121.771 119.914 0.022 0.000 2.358 2233 V HA -0.079 4.040 4.120 -0.000 0.000 0.246 2233 V C 2.183 178.275 176.094 -0.002 0.000 1.047 2233 V CA 1.212 63.509 62.300 -0.005 0.000 1.035 2233 V CB -0.625 31.191 31.823 -0.011 0.000 0.658 2233 V HN 0.300 nan 8.190 nan 0.000 0.452 2234 L N 0.081 121.310 121.223 0.010 0.000 2.083 2234 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 2234 L C 2.479 179.355 176.870 0.011 0.000 1.083 2234 L CA 1.991 56.840 54.840 0.016 0.000 0.752 2234 L CB -0.832 41.242 42.059 0.024 0.000 0.899 2234 L HN 0.458 nan 8.230 nan 0.000 0.433 2235 E N -0.811 119.393 120.200 0.007 0.000 2.107 2235 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 2235 E C 2.219 178.816 176.600 -0.004 0.000 0.982 2235 E CA 0.647 57.049 56.400 0.003 0.000 0.809 2235 E CB -0.003 29.700 29.700 0.005 0.000 0.756 2235 E HN 0.299 nan 8.360 nan 0.000 0.459 2236 L N 1.012 122.230 121.223 -0.009 0.000 2.093 2236 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 2236 L C 2.061 178.918 176.870 -0.022 0.000 1.085 2236 L CA 1.329 56.156 54.840 -0.021 0.000 0.755 2236 L CB -0.165 41.874 42.059 -0.034 0.000 0.904 2236 L HN 0.212 nan 8.230 nan 0.000 0.435 2237 I N -0.904 119.658 120.570 -0.013 0.000 2.493 2237 I HA -0.191 3.978 4.170 -0.000 0.000 0.254 2237 I C 2.052 178.169 176.117 0.001 0.000 1.160 2237 I CA 0.824 62.120 61.300 -0.005 0.000 1.445 2237 I CB -0.088 37.915 38.000 0.006 0.000 1.086 2237 I HN 0.264 nan 8.210 nan 0.000 0.433 2238 E N 0.879 121.079 120.200 0.000 0.000 2.385 2238 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 2238 E C 1.532 178.129 176.600 -0.005 0.000 1.013 2238 E CA 0.745 57.144 56.400 -0.001 0.000 0.866 2238 E CB 0.271 29.970 29.700 -0.002 0.000 0.832 2238 E HN 0.306 nan 8.360 nan 0.000 0.500 2239 K N -1.134 119.261 120.400 -0.008 0.000 2.402 2239 K HA 0.262 4.582 4.320 -0.000 0.000 0.203 2239 K C -0.513 176.078 176.600 -0.015 0.000 1.077 2239 K CA -0.026 56.255 56.287 -0.010 0.000 1.051 2239 K CB 2.154 34.648 32.500 -0.010 0.000 0.907 2239 K HN -0.135 nan 8.250 nan 0.000 0.554 2240 V N 0.991 120.893 119.914 -0.020 0.000 3.114 2240 V HA 0.136 4.256 4.120 -0.000 0.000 0.308 2240 V C -1.524 174.551 176.094 -0.032 0.000 1.168 2240 V CA -0.980 61.300 62.300 -0.033 0.000 1.015 2240 V CB 2.428 34.220 31.823 -0.052 0.000 1.050 2240 V HN 0.024 nan 8.190 nan 0.000 0.433 2241 D N 2.538 122.911 120.400 -0.044 0.000 2.453 2241 D HA 0.225 4.865 4.640 -0.000 0.000 0.223 2241 D C -0.476 175.758 176.300 -0.110 0.000 1.183 2241 D CA 0.193 54.183 54.000 -0.017 0.000 0.933 2241 D CB 0.908 41.730 40.800 0.037 0.000 1.038 2241 D HN 0.205 nan 8.370 nan 0.000 0.513 2242 V N 5.083 124.973 119.914 -0.042 0.000 2.408 2242 V HA 0.103 4.223 4.120 -0.000 0.000 0.267 2242 V C 1.351 177.490 176.094 0.075 0.000 1.047 2242 V CA -0.239 62.022 62.300 -0.066 0.000 0.937 2242 V CB 1.032 32.830 31.823 -0.042 0.000 0.999 2242 V HN 0.579 nan 8.190 nan 0.000 0.472 2243 H N 3.148 122.195 119.070 -0.038 0.000 2.465 2243 H HA 0.536 5.091 4.556 -0.000 0.000 0.289 2243 H C 0.760 176.065 175.328 -0.038 0.000 1.022 2243 H CA 0.498 56.526 56.048 -0.033 0.000 1.340 2243 H CB 0.729 30.472 29.762 -0.032 0.000 1.437 2243 H HN 0.704 nan 8.280 nan 0.000 0.539 2244 A N 0.937 123.794 122.820 0.061 0.000 2.577 2244 A HA 0.531 4.851 4.320 -0.000 0.000 0.297 2244 A C -1.591 175.966 177.584 -0.046 0.000 1.060 2244 A CA -0.618 51.422 52.037 0.004 0.000 0.697 2244 A CB 1.215 20.217 19.000 0.003 0.000 1.281 2244 A HN 0.130 nan 8.150 nan 0.000 0.402 2245 I N 1.338 121.877 120.570 -0.052 0.000 2.466 2245 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 2245 I C 0.278 176.350 176.117 -0.076 0.000 1.026 2245 I CA -0.626 60.625 61.300 -0.082 0.000 1.078 2245 I CB 2.139 40.096 38.000 -0.072 0.000 1.249 2245 I HN 0.793 nan 8.210 nan 0.000 0.429 2246 A N 4.417 127.169 122.820 -0.115 0.000 2.273 2246 A HA 0.499 4.818 4.320 -0.000 0.000 0.315 2246 A C -1.013 176.519 177.584 -0.087 0.000 1.256 2246 A CA -0.392 51.578 52.037 -0.111 0.000 0.851 2246 A CB 0.223 19.119 19.000 -0.174 0.000 1.172 2246 A HN 0.731 nan 8.150 nan 0.000 0.508 2247 H N 3.680 122.671 119.070 -0.131 0.000 2.690 2247 H HA 0.443 4.999 4.556 -0.000 0.000 0.289 2247 H C -0.642 174.632 175.328 -0.090 0.000 1.089 2247 H CA -0.863 55.128 56.048 -0.095 0.000 1.299 2247 H CB 0.237 29.982 29.762 -0.028 0.000 1.405 2247 H HN 0.530 nan 8.280 nan 0.000 0.463 2248 L N 6.555 127.595 121.223 -0.306 0.000 2.407 2248 L HA 0.177 4.517 4.340 -0.000 0.000 0.282 2248 L C 0.916 177.577 176.870 -0.348 0.000 1.110 2248 L CA -0.073 54.564 54.840 -0.338 0.000 0.863 2248 L CB -0.176 41.663 42.059 -0.368 0.000 1.207 2248 L HN 0.758 nan 8.230 nan 0.000 0.454 2249 T N -0.514 113.864 114.554 -0.292 0.000 2.548 2249 T HA 0.394 4.744 4.350 -0.000 0.000 0.214 2249 T C 0.688 175.344 174.700 -0.073 0.000 0.873 2249 T CA -0.106 61.886 62.100 -0.181 0.000 1.180 2249 T CB 0.262 69.013 68.868 -0.196 0.000 1.960 2249 T HN 0.441 nan 8.240 nan 0.000 0.505 2250 G N -0.453 108.326 108.800 -0.035 0.000 2.272 2250 G HA2 0.392 4.352 3.960 -0.000 0.000 0.247 2250 G HA3 0.392 4.352 3.960 -0.000 0.000 0.247 2250 G C 1.138 176.035 174.900 -0.006 0.000 1.272 2250 G CA 0.147 45.240 45.100 -0.011 0.000 0.921 2250 G HN 1.941 nan 8.290 nan 0.000 0.495 2251 G N 1.177 109.983 108.800 0.009 0.000 2.213 2251 G HA2 0.153 4.112 3.960 -0.000 0.000 0.226 2251 G HA3 0.153 4.112 3.960 -0.000 0.000 0.226 2251 G C 1.549 176.479 174.900 0.050 0.000 0.992 2251 G CA 0.730 45.865 45.100 0.058 0.000 0.632 2251 G HN 2.617 nan 8.290 nan 0.000 0.511 2252 G N -0.076 108.715 108.800 -0.014 0.000 2.614 2252 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.303 2252 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.303 2252 G C 0.838 175.678 174.900 -0.100 0.000 1.270 2252 G CA 1.033 46.116 45.100 -0.029 0.000 0.988 2252 G HN 0.977 nan 8.290 nan 0.000 0.551 2253 F N 0.279 119.962 119.950 -0.444 0.000 2.234 2253 F HA 0.138 4.664 4.527 -0.000 0.000 0.299 2253 F C 2.690 178.220 175.800 -0.451 0.000 1.087 2253 F CA 2.004 59.664 58.000 -0.566 0.000 1.340 2253 F CB -0.458 37.997 39.000 -0.909 0.000 1.031 2253 F HN 0.451 nan 8.300 nan 0.000 0.500 2254 W N -0.316 121.066 121.300 0.136 0.000 2.407 2254 W HA -0.070 4.590 4.660 -0.000 0.000 0.305 2254 W C 2.186 178.729 176.519 0.039 0.000 1.196 2254 W CA 0.738 58.124 57.345 0.069 0.000 1.311 2254 W CB -0.519 28.977 29.460 0.061 0.000 1.135 2254 W HN -0.164 nan 8.180 nan 0.000 0.514 2255 E N 0.119 120.445 120.200 0.211 0.000 2.474 2255 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 2255 E C 0.969 177.589 176.600 0.034 0.000 1.041 2255 E CA 0.782 57.252 56.400 0.116 0.000 0.874 2255 E CB -0.155 29.606 29.700 0.101 0.000 0.914 2255 E HN 0.300 nan 8.360 nan 0.000 0.498 2256 N N -1.306 117.381 118.700 -0.023 0.000 2.397 2256 N HA 0.210 4.949 4.740 -0.000 0.000 0.190 2256 N C 1.243 176.696 175.510 -0.095 0.000 1.099 2256 N CA 0.104 53.109 53.050 -0.076 0.000 0.876 2256 N CB 0.471 38.873 38.487 -0.142 0.000 1.143 2256 N HN 0.044 nan 8.380 nan 0.000 0.468 2257 I N 1.751 122.253 120.570 -0.112 0.000 2.193 2257 I HA -0.070 4.100 4.170 -0.000 0.000 0.240 2257 I C -0.808 175.282 176.117 -0.044 0.000 1.084 2257 I CA 1.027 62.259 61.300 -0.114 0.000 1.365 2257 I CB -0.926 36.991 38.000 -0.139 0.000 1.064 2257 I HN 0.056 nan 8.210 nan 0.000 0.410 2258 P HA -0.111 nan 4.420 nan 0.000 0.242 2258 P C 1.272 178.580 177.300 0.013 0.000 1.197 2258 P CA 1.010 64.123 63.100 0.022 0.000 0.765 2258 P CB -0.230 31.505 31.700 0.058 0.000 0.936 2259 R N 1.257 121.758 120.500 0.002 0.000 2.236 2259 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 2259 R C 1.573 177.870 176.300 -0.006 0.000 1.036 2259 R CA 0.917 57.018 56.100 0.002 0.000 1.001 2259 R CB -0.117 30.183 30.300 -0.001 0.000 0.896 2259 R HN 0.136 nan 8.270 nan 0.000 0.464 2260 V N -2.167 117.738 119.914 -0.015 0.000 3.528 2260 V HA 0.336 4.456 4.120 -0.000 0.000 0.294 2260 V C 0.308 176.395 176.094 -0.012 0.000 1.404 2260 V CA -0.300 61.990 62.300 -0.016 0.000 1.065 2260 V CB 0.068 31.873 31.823 -0.029 0.000 0.904 2260 V HN -0.053 nan 8.190 nan 0.000 0.435 2261 L N 3.109 124.327 121.223 -0.007 0.000 2.325 2261 L HA 0.555 4.895 4.340 -0.000 0.000 0.279 2261 L C -1.947 174.924 176.870 0.002 0.000 1.054 2261 L CA -1.784 53.055 54.840 -0.002 0.000 0.804 2261 L CB 1.711 43.772 42.059 0.003 0.000 1.200 2261 L HN 0.096 nan 8.230 nan 0.000 0.436 2262 P HA 0.092 nan 4.420 nan 0.000 0.276 2262 P C -0.960 176.342 177.300 0.003 0.000 1.261 2262 P CA -0.615 62.484 63.100 -0.002 0.000 0.800 2262 P CB 0.690 32.384 31.700 -0.009 0.000 1.066 2263 D N 1.207 121.609 120.400 0.003 0.000 2.478 2263 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 2263 D C 0.406 176.710 176.300 0.007 0.000 1.154 2263 D CA 0.897 54.901 54.000 0.006 0.000 0.874 2263 D CB -0.061 40.741 40.800 0.004 0.000 1.198 2263 D HN 0.389 nan 8.370 nan 0.000 0.455 2264 N N 0.831 119.538 118.700 0.011 0.000 2.746 2264 N HA -0.146 4.594 4.740 -0.000 0.000 0.250 2264 N C -0.967 174.551 175.510 0.014 0.000 1.055 2264 N CA 0.786 53.843 53.050 0.012 0.000 0.699 2264 N CB -1.435 37.057 38.487 0.008 0.000 0.919 2264 N HN 0.355 nan 8.380 nan 0.000 0.548 2265 T N -0.013 114.552 114.554 0.018 0.000 2.952 2265 T HA 0.502 4.851 4.350 -0.000 0.000 0.305 2265 T C -0.433 174.284 174.700 0.028 0.000 1.064 2265 T CA -0.664 61.448 62.100 0.019 0.000 1.008 2265 T CB 3.028 71.904 68.868 0.014 0.000 1.078 2265 T HN 0.224 nan 8.240 nan 0.000 0.459 2266 Q N 1.214 121.032 119.800 0.031 0.000 2.304 2266 Q HA 0.700 5.040 4.340 -0.000 0.000 0.270 2266 Q C -1.456 174.567 176.000 0.039 0.000 1.035 2266 Q CA -0.813 55.016 55.803 0.042 0.000 0.781 2266 Q CB 1.689 30.456 28.738 0.048 0.000 1.261 2266 Q HN 0.886 nan 8.270 nan 0.000 0.444 2267 A N 3.773 126.619 122.820 0.043 0.000 2.366 2267 A HA 0.475 4.794 4.320 -0.000 0.000 0.322 2267 A C -0.680 176.935 177.584 0.053 0.000 1.397 2267 A CA -0.459 51.596 52.037 0.030 0.000 0.984 2267 A CB 0.417 19.419 19.000 0.004 0.000 1.149 2267 A HN 0.527 nan 8.150 nan 0.000 0.540 2268 V N 5.414 125.359 119.914 0.050 0.000 2.372 2268 V HA 0.130 4.250 4.120 -0.000 0.000 0.261 2268 V C -0.001 176.137 176.094 0.073 0.000 1.055 2268 V CA -0.281 62.059 62.300 0.068 0.000 0.930 2268 V CB 0.269 32.129 31.823 0.062 0.000 1.031 2268 V HN 0.638 nan 8.190 nan 0.000 0.479 2269 I N 3.747 124.375 120.570 0.095 0.000 2.395 2269 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 2269 I C 0.291 176.519 176.117 0.185 0.000 1.023 2269 I CA -0.306 61.076 61.300 0.136 0.000 1.350 2269 I CB 1.232 39.328 38.000 0.161 0.000 1.409 2269 I HN 0.527 nan 8.210 nan 0.000 0.507 2270 D N 5.328 125.873 120.400 0.240 0.000 2.441 2270 D HA 0.045 4.684 4.640 -0.000 0.000 0.221 2270 D C 1.101 177.639 176.300 0.398 0.000 1.156 2270 D CA 0.013 54.166 54.000 0.255 0.000 0.896 2270 D CB 0.585 41.520 40.800 0.225 0.000 1.028 2270 D HN 0.571 nan 8.370 nan 0.000 0.509 2271 E N 1.738 122.099 120.200 0.267 0.000 2.267 2271 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 2271 E C 1.167 177.730 176.600 -0.061 0.000 0.998 2271 E CA 0.916 57.383 56.400 0.112 0.000 0.830 2271 E CB 0.298 30.015 29.700 0.029 0.000 0.751 2271 E HN 0.466 nan 8.360 nan 0.000 0.491 2272 S N -0.507 115.228 115.700 0.058 0.000 2.562 2272 S HA -0.042 4.427 4.470 -0.000 0.000 0.221 2272 S C 1.830 176.493 174.600 0.104 0.000 0.975 2272 S CA 0.571 58.778 58.200 0.011 0.000 0.918 2272 S CB 0.175 63.386 63.200 0.019 0.000 0.772 2272 S HN 0.254 nan 8.310 nan 0.000 0.531 2273 S N 0.274 116.161 115.700 0.312 0.000 2.515 2273 S HA 0.126 4.595 4.470 -0.000 0.000 0.231 2273 S C 0.235 174.997 174.600 0.270 0.000 0.987 2273 S CA -0.175 58.265 58.200 0.400 0.000 0.936 2273 S CB -0.787 62.815 63.200 0.670 0.000 0.766 2273 S HN 0.942 nan 8.310 nan 0.000 0.528 2274 W N -0.326 120.931 121.300 -0.072 0.000 3.137 2274 W HA 0.663 5.322 4.660 -0.000 0.000 0.324 2274 W C -1.558 174.926 176.519 -0.057 0.000 1.253 2274 W CA -1.048 56.135 57.345 -0.270 0.000 1.183 2274 W CB 0.722 29.813 29.460 -0.616 0.000 1.424 2274 W HN -0.311 nan 8.180 nan 0.000 0.566 2275 Q N 1.828 121.538 119.800 -0.151 0.000 2.256 2275 Q HA 0.192 4.532 4.340 -0.000 0.000 0.257 2275 Q C -0.722 175.309 176.000 0.051 0.000 0.936 2275 Q CA -0.533 55.161 55.803 -0.182 0.000 0.903 2275 Q CB 1.457 30.155 28.738 -0.066 0.000 1.263 2275 Q HN 0.531 nan 8.270 nan 0.000 0.440 2276 W N 3.268 124.432 121.300 -0.227 0.000 2.210 2276 W HA 0.192 4.852 4.660 -0.000 0.000 0.330 2276 W C -1.807 174.820 176.519 0.181 0.000 1.334 2276 W CA -1.900 55.464 57.345 0.031 0.000 1.227 2276 W CB -0.820 28.625 29.460 -0.024 0.000 1.178 2276 W HN 0.383 nan 8.180 nan 0.000 0.560 2277 P HA -0.053 nan 4.420 nan 0.000 0.269 2277 P C 0.788 178.280 177.300 0.320 0.000 1.209 2277 P CA 0.129 63.469 63.100 0.400 0.000 0.776 2277 P CB 0.750 32.725 31.700 0.458 0.000 0.876 2278 E N 1.564 121.873 120.200 0.182 0.000 2.339 2278 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 2278 E C 1.404 177.989 176.600 -0.025 0.000 1.015 2278 E CA 1.030 57.486 56.400 0.093 0.000 0.841 2278 E CB -0.707 29.026 29.700 0.055 0.000 0.754 2278 E HN 0.156 nan 8.360 nan 0.000 0.508 2279 V N -0.311 119.510 119.914 -0.156 0.000 2.427 2279 V HA -0.208 3.911 4.120 -0.000 0.000 0.248 2279 V C 1.680 177.500 176.094 -0.456 0.000 1.051 2279 V CA 1.646 63.686 62.300 -0.432 0.000 1.048 2279 V CB -0.581 30.826 31.823 -0.692 0.000 0.666 2279 V HN 0.246 nan 8.190 nan 0.000 0.456 2280 F N 0.568 120.470 119.950 -0.081 0.000 2.367 2280 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 2280 F C 2.317 178.134 175.800 0.027 0.000 1.094 2280 F CA 0.788 58.685 58.000 -0.172 0.000 1.409 2280 F CB -0.753 38.053 39.000 -0.324 0.000 1.064 2280 F HN 0.153 nan 8.300 nan 0.000 0.528 2281 N N -0.699 118.168 118.700 0.279 0.000 2.216 2281 N HA -0.194 4.546 4.740 -0.000 0.000 0.183 2281 N C 1.692 177.260 175.510 0.096 0.000 1.017 2281 N CA 1.034 54.206 53.050 0.203 0.000 0.861 2281 N CB -0.708 37.868 38.487 0.149 0.000 0.986 2281 N HN 0.426 nan 8.380 nan 0.000 0.428 2282 W N 1.991 123.236 121.300 -0.091 0.000 2.378 2282 W HA 0.019 4.679 4.660 -0.000 0.000 0.313 2282 W C 2.022 178.466 176.519 -0.126 0.000 1.197 2282 W CA 0.915 58.183 57.345 -0.128 0.000 1.304 2282 W CB -0.468 28.870 29.460 -0.204 0.000 1.148 2282 W HN -0.069 nan 8.180 nan 0.000 0.494 2283 L N 0.503 121.835 121.223 0.182 0.000 2.079 2283 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 2283 L C 2.837 179.659 176.870 -0.080 0.000 1.081 2283 L CA 1.653 56.508 54.840 0.024 0.000 0.752 2283 L CB -1.007 40.930 42.059 -0.203 0.000 0.896 2283 L HN 0.178 nan 8.230 nan 0.000 0.433 2284 Q N -0.205 119.574 119.800 -0.035 0.000 2.079 2284 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 2284 Q C 2.017 177.969 176.000 -0.080 0.000 0.974 2284 Q CA 2.194 57.993 55.803 -0.007 0.000 0.840 2284 Q CB -0.044 28.737 28.738 0.071 0.000 0.898 2284 Q HN 0.456 nan 8.270 nan 0.000 0.430 2285 T N 0.982 115.438 114.554 -0.163 0.000 2.770 2285 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 2285 T C 1.871 176.394 174.700 -0.296 0.000 1.039 2285 T CA 1.343 63.316 62.100 -0.211 0.000 1.142 2285 T CB -0.386 68.334 68.868 -0.247 0.000 0.868 2285 T HN 0.425 nan 8.240 nan 0.000 0.435 2286 A N 1.347 123.861 122.820 -0.510 0.000 1.883 2286 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 2286 A C 2.449 179.868 177.584 -0.275 0.000 1.186 2286 A CA 1.889 53.587 52.037 -0.565 0.000 0.624 2286 A CB -1.123 17.226 19.000 -1.085 0.000 0.822 2286 A HN 0.533 nan 8.150 nan 0.000 0.444 2287 G N -2.360 106.335 108.800 -0.175 0.000 3.020 2287 G HA2 0.176 4.135 3.960 -0.000 0.000 0.217 2287 G HA3 0.176 4.135 3.960 -0.000 0.000 0.217 2287 G C 0.401 175.280 174.900 -0.035 0.000 1.144 2287 G CA 0.415 45.477 45.100 -0.064 0.000 0.760 2287 G HN 0.419 nan 8.290 nan 0.000 0.548 2288 N N -0.177 118.490 118.700 -0.055 0.000 2.727 2288 N HA -0.143 4.596 4.740 -0.000 0.000 0.249 2288 N C 0.147 175.674 175.510 0.028 0.000 1.048 2288 N CA 0.539 53.577 53.050 -0.019 0.000 0.714 2288 N CB -1.284 37.189 38.487 -0.024 0.000 0.959 2288 N HN 0.159 nan 8.380 nan 0.000 0.544 2289 V N 0.856 120.800 119.914 0.051 0.000 2.686 2289 V HA 0.009 4.129 4.120 -0.000 0.000 0.295 2289 V C 0.882 177.051 176.094 0.125 0.000 1.055 2289 V CA -0.248 62.110 62.300 0.096 0.000 1.050 2289 V CB 1.077 32.980 31.823 0.135 0.000 0.984 2289 V HN 0.193 nan 8.190 nan 0.000 0.482 2290 E N 2.857 123.146 120.200 0.150 0.000 2.414 2290 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 2290 E C 0.622 177.389 176.600 0.278 0.000 1.000 2290 E CA 0.016 56.539 56.400 0.206 0.000 0.914 2290 E CB 0.189 29.997 29.700 0.180 0.000 0.948 2290 E HN 0.598 nan 8.360 nan 0.000 0.444 2291 H N 1.016 120.182 119.070 0.160 0.000 2.353 2291 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 2291 H C 1.618 177.090 175.328 0.240 0.000 1.103 2291 H CA 1.901 58.052 56.048 0.171 0.000 1.293 2291 H CB -0.013 29.815 29.762 0.110 0.000 1.372 2291 H HN 0.594 nan 8.280 nan 0.000 0.501 2292 H N 0.018 119.330 119.070 0.403 0.000 2.491 2292 H HA -0.084 4.472 4.556 -0.000 0.000 0.290 2292 H C 1.661 177.292 175.328 0.505 0.000 1.050 2292 H CA 1.465 57.824 56.048 0.519 0.000 1.309 2292 H CB 0.398 30.331 29.762 0.285 0.000 1.392 2292 H HN 0.392 nan 8.280 nan 0.000 0.554 2293 E N -0.488 119.977 120.200 0.442 0.000 2.340 2293 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 2293 E C 1.861 178.597 176.600 0.227 0.000 0.996 2293 E CA 0.183 56.780 56.400 0.327 0.000 0.869 2293 E CB 0.086 29.921 29.700 0.226 0.000 0.835 2293 E HN 0.214 nan 8.360 nan 0.000 0.493 2294 M N -0.300 119.397 119.600 0.162 0.000 2.506 2294 M HA 0.022 4.501 4.480 -0.000 0.000 0.260 2294 M C 0.361 176.577 176.300 -0.140 0.000 1.104 2294 M CA 0.763 56.076 55.300 0.021 0.000 1.112 2294 M CB -0.139 32.383 32.600 -0.129 0.000 1.401 2294 M HN 0.130 nan 8.290 nan 0.000 0.473 2295 Y N -0.865 119.429 120.300 -0.010 0.000 2.571 2295 Y HA 0.240 4.790 4.550 -0.000 0.000 0.275 2295 Y C 2.036 177.757 175.900 -0.299 0.000 1.179 2295 Y CA 0.101 58.016 58.100 -0.309 0.000 1.242 2295 Y CB -0.189 37.949 38.460 -0.536 0.000 1.126 2295 Y HN 0.202 nan 8.280 nan 0.000 0.524 2296 R N -1.843 118.742 120.500 0.143 0.000 2.444 2296 R HA 0.069 4.408 4.340 -0.000 0.000 0.201 2296 R C 1.184 177.503 176.300 0.031 0.000 0.861 2296 R CA 1.055 57.278 56.100 0.204 0.000 1.034 2296 R CB 0.415 30.981 30.300 0.444 0.000 1.347 2296 R HN 0.077 nan 8.270 nan 0.000 0.659 2297 T N 0.123 114.606 114.554 -0.119 0.000 3.010 2297 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 2297 T C -0.065 174.287 174.700 -0.581 0.000 1.047 2297 T CA 0.648 62.489 62.100 -0.432 0.000 1.140 2297 T CB 0.071 68.487 68.868 -0.752 0.000 0.885 2297 T HN -0.077 nan 8.240 nan 0.000 0.464 2298 F N 2.342 122.299 119.950 0.011 0.000 2.523 2298 F HA 0.400 4.927 4.527 -0.000 0.000 0.329 2298 F C 1.142 176.876 175.800 -0.110 0.000 1.061 2298 F CA -1.988 56.005 58.000 -0.012 0.000 0.967 2298 F CB 0.825 39.846 39.000 0.036 0.000 1.218 2298 F HN -0.035 nan 8.300 nan 0.000 0.480 2299 N N -1.365 117.367 118.700 0.052 0.000 2.467 2299 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 2299 N C 0.485 175.888 175.510 -0.179 0.000 1.106 2299 N CA 0.214 53.248 53.050 -0.027 0.000 0.892 2299 N CB -0.473 37.972 38.487 -0.070 0.000 0.969 2299 N HN 0.522 nan 8.380 nan 0.000 0.454 2300 C N -1.029 117.706 119.300 -0.942 0.000 4.233 2300 C HA -0.039 4.421 4.460 -0.000 0.000 0.292 2300 C C 1.609 176.206 174.990 -0.654 0.000 1.469 2300 C CA 0.499 58.652 59.018 -1.441 0.000 2.013 2300 C CB -2.337 24.783 27.740 -1.033 0.000 1.282 2300 C HN 0.976 nan 8.230 nan 0.000 0.796 2301 G N -2.592 105.945 108.800 -0.438 0.000 2.184 2301 G HA2 0.002 3.962 3.960 -0.000 0.000 0.206 2301 G HA3 0.002 3.962 3.960 -0.000 0.000 0.206 2301 G C -0.256 174.695 174.900 0.085 0.000 0.995 2301 G CA 0.118 45.272 45.100 0.090 0.000 0.651 2301 G HN 1.304 nan 8.290 nan 0.000 0.511 2302 V N 1.009 120.910 119.914 -0.021 0.000 2.376 2302 V HA 0.684 4.803 4.120 -0.000 0.000 0.287 2302 V C 1.249 177.248 176.094 -0.160 0.000 1.015 2302 V CA 0.328 62.559 62.300 -0.114 0.000 0.834 2302 V CB 1.098 32.755 31.823 -0.278 0.000 1.001 2302 V HN 0.496 nan 8.190 nan 0.000 0.428 2303 G N 3.757 112.520 108.800 -0.061 0.000 2.662 2303 G HA2 0.243 4.203 3.960 -0.000 0.000 0.212 2303 G HA3 0.243 4.203 3.960 -0.000 0.000 0.212 2303 G C 0.187 175.071 174.900 -0.027 0.000 1.141 2303 G CA 0.226 45.393 45.100 0.111 0.000 0.797 2303 G HN 0.514 nan 8.290 nan 0.000 0.531 2304 M N 0.150 119.553 119.600 -0.330 0.000 2.465 2304 M HA 0.583 5.062 4.480 -0.000 0.000 0.284 2304 M C -2.234 173.805 176.300 -0.435 0.000 1.212 2304 M CA -0.654 54.422 55.300 -0.375 0.000 0.910 2304 M CB 2.534 34.787 32.600 -0.578 0.000 1.725 2304 M HN -0.145 nan 8.290 nan 0.000 0.477 2305 I N 4.753 125.101 120.570 -0.369 0.000 2.498 2305 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 2305 I C -0.988 174.963 176.117 -0.278 0.000 1.032 2305 I CA -0.900 60.175 61.300 -0.375 0.000 1.073 2305 I CB 2.032 39.797 38.000 -0.392 0.000 1.251 2305 I HN 0.540 nan 8.210 nan 0.000 0.426 2306 I N 4.850 125.258 120.570 -0.269 0.000 2.404 2306 I HA 0.543 4.713 4.170 -0.000 0.000 0.293 2306 I C 0.287 176.297 176.117 -0.178 0.000 0.992 2306 I CA -0.536 60.643 61.300 -0.201 0.000 1.149 2306 I CB 1.653 39.537 38.000 -0.194 0.000 1.315 2306 I HN 0.531 nan 8.210 nan 0.000 0.446 2307 A N 8.020 130.759 122.820 -0.135 0.000 2.317 2307 A HA 0.944 5.263 4.320 -0.000 0.000 0.327 2307 A C -0.450 177.022 177.584 -0.186 0.000 1.178 2307 A CA -0.424 51.544 52.037 -0.115 0.000 0.817 2307 A CB 1.453 20.427 19.000 -0.042 0.000 1.189 2307 A HN 0.812 nan 8.150 nan 0.000 0.489 2308 L N -0.460 120.611 121.223 -0.254 0.000 2.999 2308 L HA 0.718 5.057 4.340 -0.000 0.000 0.274 2308 L C -3.106 173.567 176.870 -0.330 0.000 1.044 2308 L CA -2.100 52.444 54.840 -0.493 0.000 0.943 2308 L CB 1.873 43.729 42.059 -0.339 0.000 1.522 2308 L HN 0.420 nan 8.230 nan 0.000 0.400 2309 P HA 0.109 nan 4.420 nan 0.000 0.272 2309 P C 0.256 177.511 177.300 -0.074 0.000 1.230 2309 P CA 0.235 63.275 63.100 -0.100 0.000 0.788 2309 P CB 1.397 33.074 31.700 -0.039 0.000 0.949 2310 A N 4.184 126.985 122.820 -0.032 0.000 1.902 2310 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 2310 A C -0.236 177.335 177.584 -0.022 0.000 1.181 2310 A CA 1.651 53.674 52.037 -0.024 0.000 0.623 2310 A CB -2.436 16.560 19.000 -0.006 0.000 0.818 2310 A HN 0.533 nan 8.150 nan 0.000 0.443 2311 P HA -0.100 nan 4.420 nan 0.000 0.223 2311 P C 0.483 177.771 177.300 -0.020 0.000 1.151 2311 P CA 0.934 64.027 63.100 -0.012 0.000 0.787 2311 P CB -0.065 31.632 31.700 -0.005 0.000 0.788 2312 E N -0.448 119.731 120.200 -0.036 0.000 2.419 2312 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 2312 E C 1.454 178.024 176.600 -0.050 0.000 1.040 2312 E CA -0.204 56.170 56.400 -0.043 0.000 0.900 2312 E CB 0.164 29.828 29.700 -0.059 0.000 1.054 2312 E HN 0.071 nan 8.360 nan 0.000 0.462 2313 V N 1.290 121.178 119.914 -0.044 0.000 2.488 2313 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 2313 V C 1.570 177.648 176.094 -0.025 0.000 1.046 2313 V CA 1.572 63.846 62.300 -0.044 0.000 1.053 2313 V CB -0.149 31.652 31.823 -0.037 0.000 0.679 2313 V HN 0.211 nan 8.190 nan 0.000 0.458 2314 D N 0.058 120.450 120.400 -0.013 0.000 2.144 2314 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 2314 D C 2.115 178.412 176.300 -0.004 0.000 0.978 2314 D CA 1.147 55.146 54.000 -0.002 0.000 0.833 2314 D CB -0.077 40.725 40.800 0.003 0.000 0.961 2314 D HN 0.402 nan 8.370 nan 0.000 0.470 2315 K N 0.742 121.136 120.400 -0.012 0.000 2.031 2315 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 2315 K C 2.050 178.640 176.600 -0.016 0.000 1.049 2315 K CA 0.998 57.279 56.287 -0.011 0.000 0.939 2315 K CB 0.017 32.508 32.500 -0.014 0.000 0.717 2315 K HN -0.015 nan 8.250 nan 0.000 0.438 2316 A N 1.538 124.340 122.820 -0.029 0.000 1.908 2316 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 2316 A C 2.116 179.684 177.584 -0.027 0.000 1.181 2316 A CA 1.407 53.421 52.037 -0.039 0.000 0.627 2316 A CB -0.680 18.281 19.000 -0.064 0.000 0.818 2316 A HN 0.338 nan 8.150 nan 0.000 0.445 2317 L N -1.081 120.131 121.223 -0.017 0.000 2.141 2317 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 2317 L C 2.991 179.871 176.870 0.018 0.000 1.094 2317 L CA 0.924 55.766 54.840 0.003 0.000 0.763 2317 L CB -0.395 41.675 42.059 0.018 0.000 0.908 2317 L HN 0.451 nan 8.230 nan 0.000 0.437 2318 A N -0.259 122.568 122.820 0.013 0.000 2.016 2318 A HA -0.042 4.277 4.320 -0.000 0.000 0.217 2318 A C 2.192 179.785 177.584 0.015 0.000 1.162 2318 A CA 0.871 52.918 52.037 0.017 0.000 0.662 2318 A CB -0.346 18.662 19.000 0.013 0.000 0.812 2318 A HN 0.340 nan 8.150 nan 0.000 0.450 2319 L N -0.793 120.435 121.223 0.007 0.000 2.044 2319 L HA -0.098 4.241 4.340 -0.000 0.000 0.205 2319 L C 2.499 179.378 176.870 0.014 0.000 1.075 2319 L CA 0.835 55.679 54.840 0.007 0.000 0.747 2319 L CB -0.636 41.421 42.059 -0.003 0.000 0.903 2319 L HN 0.336 nan 8.230 nan 0.000 0.435 2320 L N -0.112 121.119 121.223 0.013 0.000 1.994 2320 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 2320 L C 2.144 179.041 176.870 0.046 0.000 1.071 2320 L CA 1.765 56.620 54.840 0.025 0.000 0.745 2320 L CB -0.734 41.331 42.059 0.010 0.000 0.892 2320 L HN 0.295 nan 8.230 nan 0.000 0.431 2321 N N 0.000 118.730 118.700 0.049 0.000 2.223 2321 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 2321 N C 1.750 177.289 175.510 0.048 0.000 1.016 2321 N CA 1.069 54.156 53.050 0.061 0.000 0.863 2321 N CB -0.192 38.333 38.487 0.064 0.000 0.983 2321 N HN 0.330 nan 8.380 nan 0.000 0.429 2322 A N 0.402 123.244 122.820 0.036 0.000 2.119 2322 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 2322 A C 1.411 179.012 177.584 0.028 0.000 1.153 2322 A CA 1.008 53.062 52.037 0.029 0.000 0.692 2322 A CB -0.289 18.724 19.000 0.022 0.000 0.799 2322 A HN 0.356 nan 8.150 nan 0.000 0.458 2323 N N -1.486 117.234 118.700 0.034 0.000 2.236 2323 N HA 0.325 5.065 4.740 -0.000 0.000 0.196 2323 N C 0.863 176.397 175.510 0.039 0.000 1.114 2323 N CA 0.418 53.487 53.050 0.032 0.000 0.859 2323 N CB 0.504 39.011 38.487 0.033 0.000 0.982 2323 N HN 0.515 nan 8.380 nan 0.000 0.493 2324 G N 0.506 109.335 108.800 0.047 0.000 2.179 2324 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.220 2324 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.220 2324 G C -0.174 174.774 174.900 0.080 0.000 0.990 2324 G CA -0.398 44.733 45.100 0.053 0.000 0.646 2324 G HN 0.172 nan 8.290 nan 0.000 0.517 2325 E N 0.335 120.594 120.200 0.098 0.000 2.373 2325 E HA 0.288 4.638 4.350 -0.000 0.000 0.263 2325 E C -0.059 176.632 176.600 0.152 0.000 1.073 2325 E CA -0.499 55.987 56.400 0.143 0.000 0.894 2325 E CB 0.789 30.570 29.700 0.135 0.000 1.008 2325 E HN 0.234 nan 8.360 nan 0.000 0.420 2326 N N 0.729 119.553 118.700 0.205 0.000 2.817 2326 N HA 0.266 5.005 4.740 -0.000 0.000 0.234 2326 N C -1.640 174.083 175.510 0.355 0.000 1.066 2326 N CA -0.292 52.906 53.050 0.247 0.000 0.926 2326 N CB 0.323 38.959 38.487 0.247 0.000 1.176 2326 N HN 0.426 nan 8.380 nan 0.000 0.506 2327 A N 2.450 125.434 122.820 0.275 0.000 2.340 2327 A HA 0.816 5.136 4.320 -0.000 0.000 0.331 2327 A C -1.113 176.677 177.584 0.344 0.000 1.140 2327 A CA -0.715 51.442 52.037 0.201 0.000 0.801 2327 A CB 0.635 19.651 19.000 0.026 0.000 1.234 2327 A HN 0.691 nan 8.150 nan 0.000 0.469 2328 W N 1.120 122.403 121.300 -0.027 0.000 3.066 2328 W HA 0.580 5.240 4.660 -0.000 0.000 0.330 2328 W C -0.819 175.688 176.519 -0.021 0.000 1.253 2328 W CA -0.871 56.472 57.345 -0.003 0.000 1.187 2328 W CB 1.044 30.526 29.460 0.036 0.000 1.434 2328 W HN 0.648 nan 8.180 nan 0.000 0.572 2329 K N 2.927 123.344 120.400 0.029 0.000 2.294 2329 K HA 0.154 4.474 4.320 -0.000 0.000 0.288 2329 K C 0.272 176.833 176.600 -0.065 0.000 1.072 2329 K CA -0.158 56.085 56.287 -0.074 0.000 0.960 2329 K CB 0.360 32.885 32.500 0.042 0.000 1.043 2329 K HN 0.799 nan 8.250 nan 0.000 0.455 2330 I N 2.791 123.147 120.570 -0.356 0.000 3.226 2330 I HA 0.087 4.257 4.170 -0.000 0.000 0.277 2330 I C 0.675 176.807 176.117 0.026 0.000 1.243 2330 I CA 0.677 61.871 61.300 -0.175 0.000 1.459 2330 I CB 0.292 37.976 38.000 -0.525 0.000 1.093 2330 I HN 0.876 nan 8.210 nan 0.000 0.453 2331 G N 0.346 109.131 108.800 -0.025 0.000 2.441 2331 G HA2 0.295 4.255 3.960 -0.000 0.000 0.225 2331 G HA3 0.295 4.255 3.960 -0.000 0.000 0.225 2331 G C -1.574 173.323 174.900 -0.005 0.000 1.200 2331 G CA -0.233 44.880 45.100 0.021 0.000 0.947 2331 G HN 0.066 nan 8.290 nan 0.000 0.484 2332 I N -0.946 119.626 120.570 0.003 0.000 3.229 2332 I HA 0.574 4.744 4.170 -0.000 0.000 0.313 2332 I C -1.391 174.729 176.117 0.005 0.000 1.317 2332 I CA -1.176 60.123 61.300 -0.001 0.000 0.940 2332 I CB 2.182 40.191 38.000 0.014 0.000 1.315 2332 I HN 0.406 nan 8.210 nan 0.000 0.484 2333 I N 2.886 123.460 120.570 0.007 0.000 2.603 2333 I HA 0.547 4.717 4.170 -0.000 0.000 0.300 2333 I C -0.469 175.661 176.117 0.021 0.000 1.017 2333 I CA -0.565 60.744 61.300 0.014 0.000 1.098 2333 I CB 1.700 39.708 38.000 0.014 0.000 1.279 2333 I HN 0.525 nan 8.210 nan 0.000 0.437 2334 K N 1.864 122.278 120.400 0.024 0.000 2.533 2334 K HA 0.753 5.073 4.320 -0.000 0.000 0.272 2334 K C -1.115 175.498 176.600 0.022 0.000 0.985 2334 K CA -0.710 55.591 56.287 0.024 0.000 0.876 2334 K CB 2.840 35.357 32.500 0.027 0.000 1.452 2334 K HN 0.704 nan 8.250 nan 0.000 0.439 2335 A N 1.519 124.351 122.820 0.020 0.000 2.309 2335 A HA 0.574 4.894 4.320 -0.000 0.000 0.290 2335 A C -0.569 177.026 177.584 0.019 0.000 1.206 2335 A CA 0.133 52.180 52.037 0.017 0.000 0.850 2335 A CB 0.458 19.466 19.000 0.013 0.000 1.118 2335 A HN 0.579 nan 8.150 nan 0.000 0.523 2336 S N 0.140 115.852 115.700 0.020 0.000 2.998 2336 S HA 0.547 5.017 4.470 -0.000 0.000 0.321 2336 S C 0.091 174.703 174.600 0.019 0.000 1.171 2336 S CA 0.087 58.300 58.200 0.022 0.000 0.882 2336 S CB 1.028 64.245 63.200 0.029 0.000 1.301 2336 S HN 0.825 nan 8.310 nan 0.000 0.629 2337 D N 0.388 120.801 120.400 0.021 0.000 3.161 2337 D HA 0.362 5.002 4.640 -0.000 0.000 0.287 2337 D C 0.577 176.889 176.300 0.021 0.000 1.343 2337 D CA 0.266 54.277 54.000 0.018 0.000 1.070 2337 D CB -0.452 40.357 40.800 0.015 0.000 1.188 2337 D HN 0.327 nan 8.370 nan 0.000 0.409 2338 S N -1.894 113.820 115.700 0.024 0.000 2.667 2338 S HA 0.511 4.981 4.470 -0.000 0.000 0.292 2338 S C -0.012 174.609 174.600 0.036 0.000 1.126 2338 S CA 0.298 58.513 58.200 0.026 0.000 0.881 2338 S CB 1.326 64.537 63.200 0.018 0.000 1.132 2338 S HN 0.456 nan 8.310 nan 0.000 0.492 2339 E N 0.061 120.285 120.200 0.040 0.000 4.231 2339 E HA -0.337 4.013 4.350 -0.000 0.000 0.174 2339 E C 0.107 176.758 176.600 0.086 0.000 1.158 2339 E CA 1.624 58.058 56.400 0.056 0.000 2.501 2339 E CB -1.638 28.097 29.700 0.057 0.000 1.722 2339 E HN 0.834 nan 8.360 nan 0.000 0.491 2340 Q N -1.668 118.180 119.800 0.081 0.000 2.311 2340 Q HA -0.253 4.087 4.340 -0.000 0.000 0.178 2340 Q C -0.860 175.207 176.000 0.112 0.000 0.596 2340 Q CA 1.971 57.825 55.803 0.084 0.000 1.377 2340 Q CB -0.799 27.982 28.738 0.071 0.000 1.372 2340 Q HN 0.468 nan 8.270 nan 0.000 0.896 2341 R N -0.401 120.200 120.500 0.169 0.000 2.518 2341 R HA 0.726 5.066 4.340 -0.000 0.000 0.287 2341 R C -1.339 175.137 176.300 0.293 0.000 1.135 2341 R CA -0.459 55.769 56.100 0.214 0.000 0.967 2341 R CB 1.836 32.291 30.300 0.259 0.000 1.212 2341 R HN 0.004 nan 8.270 nan 0.000 0.422 2342 V N 3.031 123.073 119.914 0.213 0.000 2.709 2342 V HA 0.585 4.705 4.120 -0.000 0.000 0.308 2342 V C -1.017 175.175 176.094 0.164 0.000 1.062 2342 V CA -0.895 61.534 62.300 0.214 0.000 0.901 2342 V CB 2.414 34.325 31.823 0.146 0.000 1.003 2342 V HN 0.596 nan 8.190 nan 0.000 0.425 2343 V N 8.012 128.031 119.914 0.175 0.000 2.322 2343 V HA 0.505 4.625 4.120 -0.000 0.000 0.258 2343 V C 0.208 176.371 176.094 0.116 0.000 1.074 2343 V CA -0.355 62.006 62.300 0.101 0.000 0.909 2343 V CB -0.400 31.445 31.823 0.036 0.000 1.090 2343 V HN 0.851 nan 8.190 nan 0.000 0.486 2344 I N 3.080 123.715 120.570 0.108 0.000 8.362 2344 I HA -0.161 4.009 4.170 -0.000 0.000 0.126 2344 I C -0.263 175.903 176.117 0.081 0.000 1.855 2344 I CA 0.527 61.883 61.300 0.093 0.000 2.037 2344 I CB -0.209 37.837 38.000 0.077 0.000 3.817 2344 I HN 0.849 nan 8.210 nan 0.000 0.169 2345 E N 0.000 120.242 120.200 0.070 0.000 2.725 2345 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2345 E CA 0.000 56.435 56.400 0.059 0.000 0.976 2345 E CB 0.000 29.739 29.700 0.065 0.000 0.812 2345 E HN 0.000 nan 8.360 nan 0.000 0.440