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 1qpq_1_E DATA FIRST_RESID 2002 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 2002 G HA2 0.000 nan 3.960 nan 0.000 0.244 2002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2002 G C 0.000 174.880 174.900 -0.034 0.000 0.946 2002 G CA 0.000 45.122 45.100 0.036 0.000 0.502 2003 L N 1.375 122.498 121.223 -0.167 0.000 2.436 2003 L HA 0.490 4.830 4.340 -0.000 0.000 0.265 2003 L C 1.342 178.139 176.870 -0.123 0.000 1.168 2003 L CA -0.397 54.272 54.840 -0.284 0.000 0.815 2003 L CB 1.298 43.145 42.059 -0.353 0.000 1.109 2003 L HN 0.756 nan 8.230 nan 0.000 0.462 2004 S N -0.504 115.139 115.700 -0.094 0.000 2.738 2004 S HA 0.197 4.667 4.470 -0.000 0.000 0.284 2004 S C 0.619 175.217 174.600 -0.005 0.000 1.146 2004 S CA -0.812 57.382 58.200 -0.009 0.000 0.997 2004 S CB 1.198 64.427 63.200 0.049 0.000 1.081 2004 S HN 0.625 nan 8.310 nan 0.000 0.553 2005 D N 0.203 120.634 120.400 0.051 0.000 2.123 2005 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 2005 D C 1.517 177.903 176.300 0.143 0.000 0.992 2005 D CA 1.389 55.434 54.000 0.075 0.000 0.833 2005 D CB -0.216 40.634 40.800 0.084 0.000 0.954 2005 D HN 0.805 nan 8.370 nan 0.000 0.455 2006 W N 1.962 123.248 121.300 -0.023 0.000 2.418 2006 W HA -0.123 4.537 4.660 -0.000 0.000 0.292 2006 W C 1.702 178.201 176.519 -0.032 0.000 1.213 2006 W CA 0.674 58.007 57.345 -0.021 0.000 1.283 2006 W CB 0.179 29.634 29.460 -0.010 0.000 1.119 2006 W HN -0.050 nan 8.180 nan 0.000 0.542 2007 E N 0.735 120.732 120.200 -0.339 0.000 2.072 2007 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 2007 E C 2.090 178.461 176.600 -0.382 0.000 0.985 2007 E CA 1.288 57.380 56.400 -0.513 0.000 0.801 2007 E CB -0.420 29.052 29.700 -0.381 0.000 0.750 2007 E HN 0.117 nan 8.360 nan 0.000 0.452 2008 L N 0.932 122.019 121.223 -0.225 0.000 2.012 2008 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 2008 L C 2.237 179.026 176.870 -0.135 0.000 1.073 2008 L CA 2.055 56.803 54.840 -0.154 0.000 0.748 2008 L CB -0.783 41.229 42.059 -0.079 0.000 0.891 2008 L HN 0.073 nan 8.230 nan 0.000 0.431 2009 A N -1.229 121.533 122.820 -0.097 0.000 1.930 2009 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 2009 A C 2.412 179.915 177.584 -0.135 0.000 1.175 2009 A CA 1.590 53.600 52.037 -0.045 0.000 0.627 2009 A CB -0.910 18.148 19.000 0.096 0.000 0.815 2009 A HN 0.488 nan 8.150 nan 0.000 0.443 2010 A N 0.011 122.618 122.820 -0.355 0.000 1.873 2010 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 2010 A C 2.518 179.949 177.584 -0.255 0.000 1.186 2010 A CA 1.997 53.770 52.037 -0.441 0.000 0.616 2010 A CB -1.070 17.426 19.000 -0.840 0.000 0.823 2010 A HN 1.010 nan 8.150 nan 0.000 0.442 2011 A N 0.080 122.754 122.820 -0.244 0.000 1.865 2011 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 2011 A C 2.253 179.771 177.584 -0.110 0.000 1.191 2011 A CA 1.720 53.657 52.037 -0.166 0.000 0.623 2011 A CB -0.575 18.325 19.000 -0.167 0.000 0.826 2011 A HN 0.554 nan 8.150 nan 0.000 0.444 2012 R N -0.626 119.818 120.500 -0.092 0.000 2.091 2012 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 2012 R C 2.481 178.753 176.300 -0.046 0.000 1.136 2012 R CA 1.244 57.311 56.100 -0.055 0.000 0.959 2012 R CB -0.533 29.745 30.300 -0.036 0.000 0.856 2012 R HN 0.539 nan 8.270 nan 0.000 0.437 2013 A N 1.364 124.154 122.820 -0.050 0.000 1.877 2013 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 2013 A C 2.403 179.962 177.584 -0.040 0.000 1.186 2013 A CA 1.697 53.714 52.037 -0.033 0.000 0.620 2013 A CB -0.621 18.366 19.000 -0.021 0.000 0.822 2013 A HN 0.398 nan 8.150 nan 0.000 0.443 2014 A N 0.419 123.202 122.820 -0.061 0.000 1.898 2014 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 2014 A C 2.109 179.664 177.584 -0.049 0.000 1.181 2014 A CA 1.702 53.703 52.037 -0.059 0.000 0.620 2014 A CB -0.787 18.166 19.000 -0.079 0.000 0.819 2014 A HN 1.138 nan 8.150 nan 0.000 0.442 2015 I N -1.616 118.924 120.570 -0.051 0.000 2.361 2015 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 2015 I C 2.211 178.309 176.117 -0.031 0.000 1.133 2015 I CA 1.700 62.975 61.300 -0.041 0.000 1.413 2015 I CB -0.586 37.388 38.000 -0.043 0.000 1.073 2015 I HN 0.155 nan 8.210 nan 0.000 0.424 2016 A N 1.196 123.998 122.820 -0.029 0.000 1.930 2016 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 2016 A C 2.479 180.051 177.584 -0.021 0.000 1.175 2016 A CA 1.486 53.510 52.037 -0.022 0.000 0.627 2016 A CB -0.605 18.385 19.000 -0.018 0.000 0.815 2016 A HN 0.521 nan 8.150 nan 0.000 0.443 2017 R N -0.832 119.654 120.500 -0.023 0.000 2.090 2017 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 2017 R C 2.413 178.702 176.300 -0.018 0.000 1.110 2017 R CA 0.973 57.061 56.100 -0.020 0.000 0.973 2017 R CB -0.583 29.704 30.300 -0.021 0.000 0.869 2017 R HN 0.511 nan 8.270 nan 0.000 0.440 2018 G N 1.510 110.297 108.800 -0.022 0.000 2.459 2018 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 2018 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 2018 G C 1.449 176.344 174.900 -0.008 0.000 1.183 2018 G CA 0.540 45.630 45.100 -0.017 0.000 0.776 2018 G HN 0.116 nan 8.290 nan 0.000 0.552 2019 L N 0.375 121.591 121.223 -0.012 0.000 2.083 2019 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 2019 L C 2.519 179.385 176.870 -0.006 0.000 1.083 2019 L CA 1.410 56.245 54.840 -0.008 0.000 0.752 2019 L CB -0.337 41.715 42.059 -0.013 0.000 0.899 2019 L HN 0.234 nan 8.230 nan 0.000 0.433 2020 D N 0.103 120.495 120.400 -0.014 0.000 2.178 2020 D HA -0.198 4.442 4.640 -0.000 0.000 0.202 2020 D C 2.003 178.290 176.300 -0.022 0.000 0.974 2020 D CA 1.159 55.143 54.000 -0.026 0.000 0.841 2020 D CB 0.162 40.942 40.800 -0.033 0.000 0.953 2020 D HN 0.302 nan 8.370 nan 0.000 0.478 2021 E N -0.310 119.894 120.200 0.006 0.000 2.110 2021 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 2021 E C 1.422 178.089 176.600 0.112 0.000 0.988 2021 E CA 1.013 57.445 56.400 0.053 0.000 0.804 2021 E CB 0.046 29.775 29.700 0.049 0.000 0.745 2021 E HN 0.336 nan 8.360 nan 0.000 0.458 2022 D N 0.319 120.761 120.400 0.070 0.000 2.123 2022 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 2022 D C 1.742 178.102 176.300 0.100 0.000 0.976 2022 D CA 0.811 54.863 54.000 0.086 0.000 0.831 2022 D CB 0.143 40.968 40.800 0.042 0.000 0.974 2022 D HN 0.128 nan 8.370 nan 0.000 0.469 2023 L N 0.240 121.489 121.223 0.043 0.000 2.558 2023 L HA 0.192 4.531 4.340 -0.000 0.000 0.225 2023 L C 2.268 179.112 176.870 -0.043 0.000 1.128 2023 L CA -0.052 54.798 54.840 0.017 0.000 0.868 2023 L CB -0.049 42.008 42.059 -0.003 0.000 1.006 2023 L HN -0.076 nan 8.230 nan 0.000 0.454 2024 R N 0.751 121.172 120.500 -0.132 0.000 2.117 2024 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 2024 R C 1.465 177.436 176.300 -0.547 0.000 1.143 2024 R CA 1.888 57.753 56.100 -0.392 0.000 0.968 2024 R CB -0.170 29.759 30.300 -0.619 0.000 0.863 2024 R HN 0.329 nan 8.270 nan 0.000 0.444 2025 Y N -0.656 119.642 120.300 -0.005 0.000 2.466 2025 Y HA 0.367 4.917 4.550 -0.000 0.000 0.272 2025 Y C 0.989 176.887 175.900 -0.003 0.000 1.169 2025 Y CA 0.348 58.446 58.100 -0.004 0.000 1.285 2025 Y CB 0.803 39.261 38.460 -0.004 0.000 1.078 2025 Y HN 0.352 nan 8.280 nan 0.000 0.523 2026 G N -0.076 108.761 108.800 0.062 0.000 2.359 2026 G HA2 0.066 4.026 3.960 -0.000 0.000 0.303 2026 G HA3 0.066 4.026 3.960 -0.000 0.000 0.303 2026 G C -3.055 171.870 174.900 0.042 0.000 1.293 2026 G CA -1.262 43.865 45.100 0.045 0.000 0.964 2026 G HN -0.133 nan 8.290 nan 0.000 0.531 2027 P HA 0.321 nan 4.420 nan 0.000 0.277 2027 P C -0.813 176.504 177.300 0.029 0.000 1.271 2027 P CA -0.277 62.837 63.100 0.024 0.000 0.795 2027 P CB 0.903 32.612 31.700 0.015 0.000 1.101 2028 D N 0.491 120.904 120.400 0.022 0.000 2.541 2028 D HA -0.027 4.613 4.640 -0.000 0.000 0.231 2028 D C 1.372 177.681 176.300 0.016 0.000 1.163 2028 D CA -0.005 54.007 54.000 0.020 0.000 1.077 2028 D CB -0.584 40.225 40.800 0.014 0.000 1.110 2028 D HN -0.012 nan 8.370 nan 0.000 0.499 2029 V N 3.470 123.395 119.914 0.018 0.000 2.282 2029 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 2029 V C 2.251 178.351 176.094 0.010 0.000 1.057 2029 V CA 2.867 65.175 62.300 0.014 0.000 1.032 2029 V CB -0.570 31.262 31.823 0.015 0.000 0.645 2029 V HN 0.681 nan 8.190 nan 0.000 0.447 2030 T N -1.337 113.222 114.554 0.008 0.000 2.788 2030 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 2030 T C 1.947 176.650 174.700 0.005 0.000 1.044 2030 T CA 2.842 64.945 62.100 0.005 0.000 1.139 2030 T CB -0.641 68.229 68.868 0.003 0.000 0.867 2030 T HN 0.825 nan 8.240 nan 0.000 0.454 2031 T N -0.517 114.040 114.554 0.006 0.000 3.043 2031 T HA 0.114 4.464 4.350 -0.000 0.000 0.263 2031 T C 1.874 176.577 174.700 0.006 0.000 1.094 2031 T CA 0.384 62.487 62.100 0.005 0.000 1.127 2031 T CB -0.364 68.506 68.868 0.004 0.000 0.905 2031 T HN 0.244 nan 8.240 nan 0.000 0.490 2032 L N 1.488 122.715 121.223 0.007 0.000 2.093 2032 L HA 0.379 4.718 4.340 -0.000 0.000 0.208 2032 L C 2.935 179.808 176.870 0.006 0.000 1.085 2032 L CA 1.545 56.389 54.840 0.007 0.000 0.755 2032 L CB -1.127 40.937 42.059 0.008 0.000 0.904 2032 L HN 0.467 nan 8.230 nan 0.000 0.435 2033 A N -1.830 120.993 122.820 0.006 0.000 2.123 2033 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 2033 A C 2.183 179.769 177.584 0.004 0.000 1.152 2033 A CA 1.509 53.549 52.037 0.005 0.000 0.728 2033 A CB -0.575 18.428 19.000 0.005 0.000 0.814 2033 A HN 0.491 nan 8.150 nan 0.000 0.464 2034 T N -4.280 110.277 114.554 0.004 0.000 2.999 2034 T HA 0.315 4.665 4.350 -0.000 0.000 0.247 2034 T C 0.438 175.141 174.700 0.004 0.000 1.012 2034 T CA 0.579 62.681 62.100 0.003 0.000 1.048 2034 T CB -0.314 68.556 68.868 0.003 0.000 1.020 2034 T HN 0.583 nan 8.240 nan 0.000 0.478 2035 V N 4.359 124.276 119.914 0.004 0.000 2.459 2035 V HA 0.651 4.771 4.120 -0.000 0.000 0.295 2035 V C -2.871 173.226 176.094 0.005 0.000 1.029 2035 V CA -2.784 59.519 62.300 0.005 0.000 0.874 2035 V CB 1.969 33.794 31.823 0.005 0.000 0.985 2035 V HN 0.149 nan 8.190 nan 0.000 0.438 2036 P HA 0.199 nan 4.420 nan 0.000 0.275 2036 P C 0.614 177.918 177.300 0.007 0.000 1.228 2036 P CA 0.152 63.256 63.100 0.006 0.000 0.786 2036 P CB 1.680 33.383 31.700 0.005 0.000 0.927 2037 A N 3.305 126.129 122.820 0.007 0.000 2.032 2037 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 2037 A C 2.027 179.617 177.584 0.009 0.000 1.165 2037 A CA 2.288 54.330 52.037 0.008 0.000 0.645 2037 A CB -1.523 17.482 19.000 0.008 0.000 0.807 2037 A HN 0.670 nan 8.150 nan 0.000 0.453 2038 S N -0.417 115.288 115.700 0.008 0.000 2.527 2038 S HA 0.468 4.938 4.470 -0.000 0.000 0.222 2038 S C 1.014 175.620 174.600 0.010 0.000 0.985 2038 S CA 0.229 58.435 58.200 0.009 0.000 0.921 2038 S CB -0.625 62.579 63.200 0.007 0.000 0.772 2038 S HN 0.912 nan 8.310 nan 0.000 0.529 2039 A N 1.513 124.338 122.820 0.010 0.000 2.540 2039 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 2039 A C 0.308 177.900 177.584 0.013 0.000 1.061 2039 A CA 0.255 52.298 52.037 0.010 0.000 0.758 2039 A CB -0.008 18.997 19.000 0.009 0.000 0.991 2039 A HN 0.301 nan 8.150 nan 0.000 0.502 2040 T N 1.281 115.843 114.554 0.014 0.000 2.933 2040 T HA 0.725 5.075 4.350 -0.000 0.000 0.305 2040 T C -0.282 174.427 174.700 0.016 0.000 1.092 2040 T CA 0.030 62.140 62.100 0.018 0.000 1.008 2040 T CB 1.810 70.689 68.868 0.019 0.000 1.102 2040 T HN 1.032 nan 8.240 nan 0.000 0.469 2041 T N -0.478 114.087 114.554 0.019 0.000 2.778 2041 T HA 0.710 5.060 4.350 -0.000 0.000 0.293 2041 T C -0.919 173.793 174.700 0.021 0.000 1.144 2041 T CA -0.904 61.206 62.100 0.016 0.000 1.010 2041 T CB 1.654 70.528 68.868 0.012 0.000 1.325 2041 T HN 0.410 nan 8.240 nan 0.000 0.515 2042 T N 1.124 115.688 114.554 0.017 0.000 2.770 2042 T HA 0.768 5.118 4.350 -0.000 0.000 0.283 2042 T C -0.419 174.288 174.700 0.013 0.000 0.988 2042 T CA -0.586 61.525 62.100 0.019 0.000 0.957 2042 T CB 1.061 69.940 68.868 0.017 0.000 0.930 2042 T HN 1.017 nan 8.240 nan 0.000 0.443 2043 A N 2.497 125.324 122.820 0.012 0.000 2.413 2043 A HA 0.892 5.212 4.320 -0.000 0.000 0.307 2043 A C -0.339 177.247 177.584 0.003 0.000 1.087 2043 A CA -0.771 51.269 52.037 0.004 0.000 0.750 2043 A CB 1.663 20.661 19.000 -0.003 0.000 1.296 2043 A HN 0.646 nan 8.150 nan 0.000 0.423 2044 S N 0.719 116.419 115.700 0.001 0.000 2.526 2044 S HA 0.557 5.027 4.470 -0.000 0.000 0.293 2044 S C -1.000 173.599 174.600 -0.002 0.000 1.092 2044 S CA -0.526 57.675 58.200 0.001 0.000 0.980 2044 S CB 1.131 64.334 63.200 0.005 0.000 1.048 2044 S HN 0.533 nan 8.310 nan 0.000 0.483 2045 L N 3.936 125.157 121.223 -0.003 0.000 2.261 2045 L HA 0.484 4.823 4.340 -0.000 0.000 0.289 2045 L C -0.071 176.799 176.870 0.001 0.000 1.059 2045 L CA -0.115 54.722 54.840 -0.004 0.000 0.816 2045 L CB 0.555 42.610 42.059 -0.006 0.000 1.191 2045 L HN 0.536 nan 8.230 nan 0.000 0.431 2046 V N 2.849 122.764 119.914 0.001 0.000 2.656 2046 V HA 0.674 4.794 4.120 -0.000 0.000 0.307 2046 V C 0.246 176.342 176.094 0.003 0.000 1.051 2046 V CA -0.502 61.800 62.300 0.003 0.000 0.893 2046 V CB 2.153 33.978 31.823 0.003 0.000 0.999 2046 V HN 0.847 nan 8.190 nan 0.000 0.426 2047 T N 3.317 117.873 114.554 0.004 0.000 2.907 2047 T HA 0.451 4.801 4.350 -0.000 0.000 0.298 2047 T C 0.621 175.323 174.700 0.004 0.000 1.017 2047 T CA -0.377 61.725 62.100 0.004 0.000 1.118 2047 T CB 1.185 70.055 68.868 0.004 0.000 0.948 2047 T HN 0.789 nan 8.240 nan 0.000 0.531 2048 R N 0.540 121.042 120.500 0.004 0.000 2.300 2048 R HA 0.213 4.553 4.340 -0.000 0.000 0.199 2048 R C 0.808 177.109 176.300 0.003 0.000 0.920 2048 R CA 0.226 56.328 56.100 0.003 0.000 1.046 2048 R CB 0.194 30.496 30.300 0.004 0.000 0.984 2048 R HN 0.922 nan 8.270 nan 0.000 0.493 2049 E N -1.498 118.704 120.200 0.003 0.000 2.449 2049 E HA 0.643 4.992 4.350 -0.000 0.000 0.278 2049 E C -1.339 175.262 176.600 0.001 0.000 0.992 2049 E CA -1.239 55.162 56.400 0.002 0.000 0.807 2049 E CB 1.206 30.907 29.700 0.002 0.000 1.350 2049 E HN -0.073 nan 8.360 nan 0.000 0.462 2050 A N 0.187 123.007 122.820 0.000 0.000 2.304 2050 A HA 0.822 5.142 4.320 -0.000 0.000 0.271 2050 A C 0.389 177.972 177.584 -0.001 0.000 1.091 2050 A CA 0.494 52.531 52.037 -0.000 0.000 0.812 2050 A CB 0.668 19.667 19.000 -0.002 0.000 1.056 2050 A HN 0.959 nan 8.150 nan 0.000 0.489 2051 G N -1.407 107.392 108.800 -0.001 0.000 2.323 2051 G HA2 0.476 4.436 3.960 -0.000 0.000 0.291 2051 G HA3 0.476 4.436 3.960 -0.000 0.000 0.291 2051 G C -1.642 173.256 174.900 -0.003 0.000 1.278 2051 G CA -0.056 45.042 45.100 -0.002 0.000 0.860 2051 G HN 1.174 nan 8.290 nan 0.000 0.504 2052 V N 0.174 120.084 119.914 -0.006 0.000 2.513 2052 V HA 0.651 4.771 4.120 -0.000 0.000 0.299 2052 V C 0.264 176.352 176.094 -0.009 0.000 1.035 2052 V CA -0.744 61.551 62.300 -0.009 0.000 0.889 2052 V CB 1.371 33.185 31.823 -0.016 0.000 0.988 2052 V HN 0.985 nan 8.190 nan 0.000 0.440 2053 V N 4.975 124.888 119.914 -0.003 0.000 2.509 2053 V HA 0.913 5.032 4.120 -0.000 0.000 0.284 2053 V C 0.159 176.260 176.094 0.011 0.000 1.047 2053 V CA 0.245 62.549 62.300 0.007 0.000 0.952 2053 V CB 1.209 33.040 31.823 0.014 0.000 0.988 2053 V HN 1.192 nan 8.190 nan 0.000 0.469 2054 A N 4.305 127.142 122.820 0.029 0.000 2.547 2054 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 2054 A C 0.510 178.167 177.584 0.122 0.000 1.056 2054 A CA 0.004 52.081 52.037 0.066 0.000 0.688 2054 A CB 1.508 20.510 19.000 0.004 0.000 1.282 2054 A HN 2.384 nan 8.150 nan 0.000 0.400 2055 G N 0.131 109.059 108.800 0.212 0.000 2.132 2055 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.234 2055 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.234 2055 G C 0.606 175.539 174.900 0.056 0.000 0.989 2055 G CA 0.406 45.588 45.100 0.136 0.000 0.676 2055 G HN 1.132 nan 8.290 nan 0.000 0.522 2056 L N 1.086 122.343 121.223 0.056 0.000 2.187 2056 L HA 0.021 4.361 4.340 -0.000 0.000 0.213 2056 L C 2.311 179.186 176.870 0.007 0.000 1.100 2056 L CA 2.406 57.262 54.840 0.027 0.000 0.765 2056 L CB -0.531 41.548 42.059 0.033 0.000 0.904 2056 L HN 0.342 nan 8.230 nan 0.000 0.437 2057 D N -1.146 119.254 120.400 0.000 0.000 2.178 2057 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 2057 D C 2.279 178.555 176.300 -0.040 0.000 0.974 2057 D CA 0.899 54.885 54.000 -0.022 0.000 0.841 2057 D CB 0.053 40.822 40.800 -0.052 0.000 0.953 2057 D HN 0.203 nan 8.370 nan 0.000 0.478 2058 V N 1.262 121.148 119.914 -0.048 0.000 2.759 2058 V HA -0.168 3.952 4.120 -0.000 0.000 0.256 2058 V C 2.413 178.478 176.094 -0.048 0.000 1.080 2058 V CA 1.424 63.691 62.300 -0.054 0.000 1.101 2058 V CB -0.589 31.205 31.823 -0.048 0.000 0.698 2058 V HN 0.160 nan 8.190 nan 0.000 0.477 2059 A N 0.127 122.921 122.820 -0.043 0.000 1.854 2059 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 2059 A C 2.060 179.583 177.584 -0.102 0.000 1.192 2059 A CA 1.220 53.218 52.037 -0.064 0.000 0.611 2059 A CB -0.516 18.453 19.000 -0.052 0.000 0.832 2059 A HN 0.351 nan 8.150 nan 0.000 0.442 2060 L N 0.078 121.257 121.223 -0.074 0.000 2.043 2060 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 2060 L C 2.499 179.341 176.870 -0.047 0.000 1.075 2060 L CA 1.538 56.338 54.840 -0.067 0.000 0.752 2060 L CB -1.588 40.502 42.059 0.052 0.000 0.891 2060 L HN 0.380 nan 8.230 nan 0.000 0.432 2061 L N -1.182 120.023 121.223 -0.029 0.000 2.191 2061 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 2061 L C 2.286 179.134 176.870 -0.037 0.000 1.103 2061 L CA 1.204 56.032 54.840 -0.020 0.000 0.769 2061 L CB -0.773 41.264 42.059 -0.036 0.000 0.908 2061 L HN 0.306 nan 8.230 nan 0.000 0.438 2062 T N -0.385 114.128 114.554 -0.068 0.000 2.896 2062 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 2062 T C 1.855 176.500 174.700 -0.091 0.000 1.050 2062 T CA 0.632 62.690 62.100 -0.071 0.000 1.140 2062 T CB 0.036 68.860 68.868 -0.074 0.000 0.877 2062 T HN 0.013 nan 8.240 nan 0.000 0.457 2063 L N 2.075 123.191 121.223 -0.177 0.000 2.027 2063 L HA 0.039 4.379 4.340 -0.000 0.000 0.206 2063 L C 2.248 179.095 176.870 -0.039 0.000 1.074 2063 L CA 1.441 56.120 54.840 -0.268 0.000 0.745 2063 L CB -1.456 40.091 42.059 -0.854 0.000 0.898 2063 L HN 0.177 nan 8.230 nan 0.000 0.433 2064 N N -0.075 118.670 118.700 0.075 0.000 2.091 2064 N HA -0.248 4.492 4.740 -0.000 0.000 0.193 2064 N C 1.876 177.431 175.510 0.076 0.000 1.021 2064 N CA 1.341 54.490 53.050 0.166 0.000 0.862 2064 N CB -0.136 38.424 38.487 0.122 0.000 1.018 2064 N HN 0.339 nan 8.380 nan 0.000 0.429 2065 E N 0.316 120.533 120.200 0.027 0.000 2.106 2065 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 2065 E C 1.749 178.356 176.600 0.012 0.000 0.984 2065 E CA 0.580 56.988 56.400 0.013 0.000 0.806 2065 E CB 0.063 29.760 29.700 -0.005 0.000 0.750 2065 E HN 0.115 nan 8.360 nan 0.000 0.458 2066 V N -0.193 119.724 119.914 0.005 0.000 2.426 2066 V HA -0.041 4.079 4.120 -0.000 0.000 0.242 2066 V C 2.048 178.158 176.094 0.027 0.000 1.036 2066 V CA 1.202 63.505 62.300 0.005 0.000 1.044 2066 V CB -0.177 31.637 31.823 -0.014 0.000 0.688 2066 V HN 0.233 nan 8.190 nan 0.000 0.462 2067 L N -0.268 120.988 121.223 0.054 0.000 2.556 2067 L HA 0.549 4.889 4.340 -0.000 0.000 0.226 2067 L C 1.046 177.987 176.870 0.118 0.000 1.089 2067 L CA 0.659 55.556 54.840 0.095 0.000 0.864 2067 L CB -0.103 42.045 42.059 0.149 0.000 1.067 2067 L HN 0.498 nan 8.230 nan 0.000 0.477 2068 G N -0.031 108.845 108.800 0.127 0.000 2.705 2068 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 2068 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 2068 G C 0.443 175.418 174.900 0.126 0.000 1.285 2068 G CA -0.251 44.907 45.100 0.098 0.000 0.800 2068 G HN 0.028 nan 8.290 nan 0.000 0.611 2069 T N 0.684 115.271 114.554 0.055 0.000 2.685 2069 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 2069 T C 1.749 176.306 174.700 -0.239 0.000 1.034 2069 T CA 1.779 63.847 62.100 -0.055 0.000 1.149 2069 T CB -0.177 68.661 68.868 -0.050 0.000 0.860 2069 T HN 0.624 nan 8.240 nan 0.000 0.449 2070 N N 0.949 119.572 118.700 -0.128 0.000 2.322 2070 N HA 0.148 4.888 4.740 -0.000 0.000 0.216 2070 N C 1.440 176.894 175.510 -0.094 0.000 1.144 2070 N CA 0.168 53.135 53.050 -0.139 0.000 0.830 2070 N CB 0.358 38.800 38.487 -0.075 0.000 1.034 2070 N HN 0.508 nan 8.380 nan 0.000 0.484 2071 G N -0.159 108.610 108.800 -0.051 0.000 2.986 2071 G HA2 0.068 4.028 3.960 -0.000 0.000 0.213 2071 G HA3 0.068 4.028 3.960 -0.000 0.000 0.213 2071 G C 0.052 175.050 174.900 0.164 0.000 1.156 2071 G CA 0.222 45.372 45.100 0.084 0.000 0.763 2071 G HN 0.368 nan 8.290 nan 0.000 0.547 2072 Y N -2.309 117.990 120.300 -0.002 0.000 2.670 2072 Y HA 0.794 5.343 4.550 -0.000 0.000 0.334 2072 Y C -0.960 174.940 175.900 -0.001 0.000 1.185 2072 Y CA -2.292 55.807 58.100 -0.001 0.000 1.053 2072 Y CB 1.092 39.551 38.460 -0.001 0.000 1.298 2072 Y HN -0.099 nan 8.280 nan 0.000 0.459 2073 R N 1.391 121.961 120.500 0.116 0.000 2.532 2073 R HA 0.743 5.083 4.340 -0.000 0.000 0.297 2073 R C -2.143 174.243 176.300 0.143 0.000 0.984 2073 R CA -0.911 55.210 56.100 0.035 0.000 0.884 2073 R CB 2.134 32.438 30.300 0.008 0.000 1.182 2073 R HN 0.739 nan 8.270 nan 0.000 0.442 2074 V N 6.796 126.786 119.914 0.126 0.000 2.368 2074 V HA 0.117 4.237 4.120 -0.000 0.000 0.266 2074 V C 0.617 176.749 176.094 0.063 0.000 1.045 2074 V CA -0.340 62.034 62.300 0.123 0.000 0.899 2074 V CB 1.262 33.164 31.823 0.133 0.000 1.006 2074 V HN 0.756 nan 8.190 nan 0.000 0.470 2075 L N 2.828 124.082 121.223 0.053 0.000 2.341 2075 L HA 0.328 4.668 4.340 -0.000 0.000 0.214 2075 L C 0.616 177.503 176.870 0.029 0.000 1.115 2075 L CA 1.086 55.946 54.840 0.034 0.000 0.820 2075 L CB -0.640 41.437 42.059 0.029 0.000 0.944 2075 L HN 0.709 nan 8.230 nan 0.000 0.452 2076 D N -1.254 119.166 120.400 0.033 0.000 2.720 2076 D HA 0.423 5.063 4.640 -0.000 0.000 0.239 2076 D C -1.022 175.295 176.300 0.029 0.000 1.218 2076 D CA -0.511 53.506 54.000 0.027 0.000 0.748 2076 D CB 1.466 42.279 40.800 0.021 0.000 1.387 2076 D HN 0.095 nan 8.370 nan 0.000 0.438 2077 R N 0.170 120.686 120.500 0.026 0.000 2.692 2077 R HA 0.775 5.115 4.340 -0.000 0.000 0.269 2077 R C -1.792 174.521 176.300 0.022 0.000 1.030 2077 R CA -0.914 55.201 56.100 0.026 0.000 0.882 2077 R CB 0.941 31.260 30.300 0.032 0.000 1.250 2077 R HN 0.127 nan 8.270 nan 0.000 0.465 2078 V N 0.969 120.896 119.914 0.021 0.000 2.966 2078 V HA 0.355 4.475 4.120 -0.000 0.000 0.317 2078 V C -0.324 175.785 176.094 0.025 0.000 1.070 2078 V CA -0.675 61.638 62.300 0.020 0.000 1.008 2078 V CB 1.944 33.777 31.823 0.017 0.000 1.070 2078 V HN 0.735 nan 8.190 nan 0.000 0.457 2079 E N 1.594 121.808 120.200 0.024 0.000 2.313 2079 E HA 0.283 4.632 4.350 -0.000 0.000 0.272 2079 E C -0.839 175.781 176.600 0.033 0.000 1.038 2079 E CA -0.549 55.869 56.400 0.030 0.000 0.863 2079 E CB 0.794 30.510 29.700 0.027 0.000 1.060 2079 E HN 0.554 nan 8.360 nan 0.000 0.402 2080 D N -0.095 120.335 120.400 0.050 0.000 2.443 2080 D HA 0.272 4.912 4.640 -0.000 0.000 0.239 2080 D C 1.161 177.475 176.300 0.022 0.000 1.136 2080 D CA 1.529 55.562 54.000 0.055 0.000 0.879 2080 D CB 0.637 41.509 40.800 0.119 0.000 1.195 2080 D HN 0.610 nan 8.370 nan 0.000 0.443 2081 G N 0.989 109.788 108.800 -0.003 0.000 2.175 2081 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 2081 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 2081 G C 0.436 175.332 174.900 -0.008 0.000 0.982 2081 G CA 0.239 45.327 45.100 -0.020 0.000 0.641 2081 G HN 0.830 nan 8.290 nan 0.000 0.527 2082 A N 0.796 123.617 122.820 0.002 0.000 2.401 2082 A HA 0.663 4.983 4.320 -0.000 0.000 0.259 2082 A C 0.807 178.391 177.584 0.000 0.000 1.103 2082 A CA -0.115 51.924 52.037 0.003 0.000 0.789 2082 A CB 0.336 19.341 19.000 0.008 0.000 1.035 2082 A HN 0.343 nan 8.150 nan 0.000 0.491 2083 R N 1.627 122.127 120.500 0.000 0.000 2.298 2083 R HA 0.418 4.758 4.340 -0.000 0.000 0.310 2083 R C -1.111 175.189 176.300 0.001 0.000 1.068 2083 R CA -0.012 56.087 56.100 -0.001 0.000 0.957 2083 R CB 1.062 31.362 30.300 -0.001 0.000 1.003 2083 R HN 0.478 nan 8.270 nan 0.000 0.454 2084 V N 6.542 126.456 119.914 0.001 0.000 2.789 2084 V HA 0.431 4.551 4.120 -0.000 0.000 0.311 2084 V C -2.080 174.015 176.094 0.001 0.000 1.073 2084 V CA -1.886 60.415 62.300 0.002 0.000 0.921 2084 V CB 2.744 34.569 31.823 0.004 0.000 1.009 2084 V HN 0.706 nan 8.190 nan 0.000 0.426 2085 P HA 0.430 nan 4.420 nan 0.000 0.280 2085 P C -2.524 174.777 177.300 0.002 0.000 1.272 2085 P CA -1.735 61.365 63.100 0.001 0.000 0.819 2085 P CB 1.234 32.935 31.700 0.001 0.000 1.122 2086 P HA -0.200 nan 4.420 nan 0.000 0.205 2086 P C 1.262 178.563 177.300 0.002 0.000 1.046 2086 P CA 2.218 65.319 63.100 0.002 0.000 0.968 2086 P CB -0.706 30.994 31.700 0.001 0.000 0.753 2087 G N -0.760 108.042 108.800 0.002 0.000 3.375 2087 G HA2 0.016 3.976 3.960 -0.000 0.000 0.247 2087 G HA3 0.016 3.976 3.960 -0.000 0.000 0.247 2087 G C 0.008 174.910 174.900 0.004 0.000 1.343 2087 G CA -0.066 45.036 45.100 0.003 0.000 1.368 2087 G HN 0.202 nan 8.290 nan 0.000 0.549 2088 E N 0.841 121.043 120.200 0.004 0.000 2.338 2088 E HA 0.491 4.841 4.350 -0.000 0.000 0.272 2088 E C 0.293 176.897 176.600 0.006 0.000 1.029 2088 E CA -0.328 56.075 56.400 0.005 0.000 0.872 2088 E CB 0.929 30.632 29.700 0.005 0.000 1.015 2088 E HN 0.143 nan 8.360 nan 0.000 0.417 2089 A N 5.947 128.770 122.820 0.006 0.000 2.343 2089 A HA 0.240 4.560 4.320 -0.000 0.000 0.305 2089 A C 0.800 178.389 177.584 0.009 0.000 1.308 2089 A CA -0.361 51.680 52.037 0.007 0.000 0.949 2089 A CB -0.155 18.850 19.000 0.008 0.000 1.148 2089 A HN 0.856 nan 8.150 nan 0.000 0.545 2090 L N 1.761 122.989 121.223 0.008 0.000 2.093 2090 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 2090 L C 1.064 177.941 176.870 0.013 0.000 1.085 2090 L CA 0.933 55.779 54.840 0.010 0.000 0.755 2090 L CB -0.227 41.838 42.059 0.009 0.000 0.904 2090 L HN 0.777 nan 8.230 nan 0.000 0.435 2091 M N -0.803 118.804 119.600 0.011 0.000 2.333 2091 M HA 0.286 4.766 4.480 -0.000 0.000 0.286 2091 M C -1.680 174.628 176.300 0.013 0.000 1.113 2091 M CA -0.178 55.130 55.300 0.014 0.000 0.959 2091 M CB 2.255 34.861 32.600 0.011 0.000 1.776 2091 M HN -0.270 nan 8.290 nan 0.000 0.492 2092 T N 5.833 120.399 114.554 0.020 0.000 2.807 2092 T HA 0.786 5.136 4.350 -0.000 0.000 0.279 2092 T C -0.911 173.810 174.700 0.035 0.000 0.993 2092 T CA -0.600 61.513 62.100 0.021 0.000 0.970 2092 T CB 1.144 70.024 68.868 0.020 0.000 0.950 2092 T HN 0.576 nan 8.240 nan 0.000 0.441 2093 L N 0.151 121.396 121.223 0.036 0.000 2.397 2093 L HA 0.863 5.203 4.340 -0.000 0.000 0.251 2093 L C -0.706 176.200 176.870 0.060 0.000 1.064 2093 L CA -1.128 53.751 54.840 0.065 0.000 0.859 2093 L CB 1.677 43.785 42.059 0.081 0.000 1.468 2093 L HN 0.531 nan 8.230 nan 0.000 0.411 2094 E N 0.040 120.293 120.200 0.088 0.000 2.224 2094 E HA 0.845 5.195 4.350 -0.000 0.000 0.265 2094 E C -1.492 175.171 176.600 0.104 0.000 0.878 2094 E CA -0.667 55.776 56.400 0.071 0.000 0.759 2094 E CB 1.888 31.621 29.700 0.055 0.000 1.164 2094 E HN 1.074 nan 8.360 nan 0.000 0.414 2095 A N 3.706 126.572 122.820 0.077 0.000 2.586 2095 A HA 0.269 4.589 4.320 -0.000 0.000 0.290 2095 A C -1.248 176.368 177.584 0.053 0.000 1.086 2095 A CA -0.762 51.328 52.037 0.090 0.000 0.665 2095 A CB 1.552 20.609 19.000 0.096 0.000 1.279 2095 A HN 0.618 nan 8.150 nan 0.000 0.423 2096 Q N 0.496 120.328 119.800 0.053 0.000 2.263 2096 Q HA 0.107 4.447 4.340 -0.000 0.000 0.289 2096 Q C 0.494 176.508 176.000 0.023 0.000 1.061 2096 Q CA 0.944 56.767 55.803 0.034 0.000 0.927 2096 Q CB 0.484 29.242 28.738 0.033 0.000 1.154 2096 Q HN 0.783 nan 8.270 nan 0.000 0.378 2097 T N 4.733 119.297 114.554 0.016 0.000 2.684 2097 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 2097 T C 1.527 176.231 174.700 0.006 0.000 1.036 2097 T CA 1.644 63.750 62.100 0.010 0.000 1.148 2097 T CB -0.035 68.838 68.868 0.009 0.000 0.863 2097 T HN 0.613 nan 8.240 nan 0.000 0.436 2098 R N 0.429 120.933 120.500 0.008 0.000 2.091 2098 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 2098 R C 2.903 179.205 176.300 0.003 0.000 1.136 2098 R CA 1.408 57.512 56.100 0.006 0.000 0.959 2098 R CB -0.793 29.512 30.300 0.008 0.000 0.856 2098 R HN 0.477 nan 8.270 nan 0.000 0.437 2099 G N 1.004 109.808 108.800 0.006 0.000 2.418 2099 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 2099 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 2099 G C 1.449 176.341 174.900 -0.014 0.000 1.158 2099 G CA 0.402 45.502 45.100 0.001 0.000 0.771 2099 G HN 0.125 nan 8.290 nan 0.000 0.545 2100 L N -0.406 120.808 121.223 -0.016 0.000 2.017 2100 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 2100 L C 2.787 179.644 176.870 -0.023 0.000 1.073 2100 L CA 0.518 55.340 54.840 -0.029 0.000 0.745 2100 L CB -0.371 41.676 42.059 -0.021 0.000 0.894 2100 L HN 0.144 nan 8.230 nan 0.000 0.432 2101 L N -0.704 120.512 121.223 -0.012 0.000 2.191 2101 L HA -0.166 4.173 4.340 -0.000 0.000 0.212 2101 L C 2.480 179.346 176.870 -0.008 0.000 1.103 2101 L CA 1.789 56.623 54.840 -0.009 0.000 0.769 2101 L CB -1.243 40.814 42.059 -0.003 0.000 0.908 2101 L HN 0.224 nan 8.230 nan 0.000 0.438 2102 T N -1.222 113.327 114.554 -0.008 0.000 2.978 2102 T HA 0.044 4.394 4.350 -0.000 0.000 0.262 2102 T C 1.896 176.589 174.700 -0.012 0.000 1.063 2102 T CA 0.915 63.012 62.100 -0.005 0.000 1.140 2102 T CB -0.004 68.863 68.868 -0.002 0.000 0.886 2102 T HN 0.353 nan 8.240 nan 0.000 0.470 2103 A N 1.314 124.121 122.820 -0.023 0.000 1.970 2103 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 2103 A C 2.081 179.644 177.584 -0.035 0.000 1.170 2103 A CA 1.230 53.246 52.037 -0.035 0.000 0.645 2103 A CB -0.464 18.502 19.000 -0.057 0.000 0.816 2103 A HN 0.542 nan 8.150 nan 0.000 0.447 2104 E N -0.092 120.090 120.200 -0.030 0.000 2.082 2104 E HA -0.369 3.981 4.350 -0.000 0.000 0.215 2104 E C 2.232 178.821 176.600 -0.019 0.000 1.048 2104 E CA 2.082 58.467 56.400 -0.026 0.000 0.869 2104 E CB -0.153 29.536 29.700 -0.018 0.000 0.773 2104 E HN 0.391 nan 8.360 nan 0.000 0.466 2105 R N 0.094 120.586 120.500 -0.012 0.000 2.081 2105 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 2105 R C 2.308 178.602 176.300 -0.010 0.000 1.131 2105 R CA 2.335 58.430 56.100 -0.008 0.000 0.960 2105 R CB -1.090 29.208 30.300 -0.004 0.000 0.856 2105 R HN 0.225 nan 8.270 nan 0.000 0.436 2106 T N 0.866 115.412 114.554 -0.015 0.000 2.788 2106 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 2106 T C 1.708 176.394 174.700 -0.023 0.000 1.044 2106 T CA 1.647 63.735 62.100 -0.019 0.000 1.139 2106 T CB -0.216 68.638 68.868 -0.022 0.000 0.867 2106 T HN 0.360 nan 8.240 nan 0.000 0.454 2107 M N 0.338 119.921 119.600 -0.028 0.000 2.099 2107 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 2107 M C 1.790 178.080 176.300 -0.016 0.000 1.067 2107 M CA 1.498 56.779 55.300 -0.032 0.000 1.124 2107 M CB -0.184 32.388 32.600 -0.048 0.000 1.353 2107 M HN 0.106 nan 8.290 nan 0.000 0.410 2108 L N 1.510 122.726 121.223 -0.011 0.000 2.017 2108 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 2108 L C 2.184 179.062 176.870 0.014 0.000 1.073 2108 L CA 1.712 56.553 54.840 0.001 0.000 0.745 2108 L CB -1.771 40.287 42.059 -0.001 0.000 0.894 2108 L HN 0.387 nan 8.230 nan 0.000 0.432 2109 N N -0.713 117.992 118.700 0.009 0.000 2.104 2109 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 2109 N C 1.771 177.300 175.510 0.033 0.000 1.024 2109 N CA 0.981 54.041 53.050 0.017 0.000 0.853 2109 N CB -0.338 38.147 38.487 -0.004 0.000 1.008 2109 N HN 0.125 nan 8.380 nan 0.000 0.424 2110 L N 0.677 121.910 121.223 0.017 0.000 2.007 2110 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 2110 L C 2.396 179.308 176.870 0.070 0.000 1.073 2110 L CA 1.200 56.058 54.840 0.030 0.000 0.744 2110 L CB -1.426 40.631 42.059 -0.003 0.000 0.898 2110 L HN 0.126 nan 8.230 nan 0.000 0.435 2111 V N -1.948 117.992 119.914 0.043 0.000 2.759 2111 V HA -0.015 4.105 4.120 -0.000 0.000 0.256 2111 V C 2.212 178.337 176.094 0.052 0.000 1.080 2111 V CA 1.600 63.928 62.300 0.047 0.000 1.101 2111 V CB -1.101 30.738 31.823 0.027 0.000 0.698 2111 V HN 0.366 nan 8.190 nan 0.000 0.477 2112 G N -0.635 108.199 108.800 0.057 0.000 2.394 2112 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 2112 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 2112 G C 1.401 176.343 174.900 0.069 0.000 1.165 2112 G CA 0.999 46.130 45.100 0.052 0.000 0.784 2112 G HN 0.717 nan 8.290 nan 0.000 0.535 2113 H N 0.546 119.621 119.070 0.007 0.000 2.299 2113 H HA 0.105 4.661 4.556 -0.000 0.000 0.302 2113 H C 2.517 177.852 175.328 0.011 0.000 1.078 2113 H CA 1.414 57.467 56.048 0.009 0.000 1.323 2113 H CB -0.229 29.536 29.762 0.006 0.000 1.381 2113 H HN 0.223 nan 8.280 nan 0.000 0.498 2114 L N -0.581 120.706 121.223 0.106 0.000 2.131 2114 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 2114 L C 2.459 179.319 176.870 -0.017 0.000 1.092 2114 L CA 1.205 56.071 54.840 0.043 0.000 0.759 2114 L CB -0.374 41.757 42.059 0.120 0.000 0.903 2114 L HN 0.271 nan 8.230 nan 0.000 0.435 2115 S N 0.117 115.815 115.700 -0.004 0.000 2.395 2115 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 2115 S C 2.084 176.660 174.600 -0.040 0.000 1.027 2115 S CA 0.971 59.162 58.200 -0.014 0.000 0.965 2115 S CB -0.311 62.892 63.200 0.004 0.000 0.812 2115 S HN 0.577 nan 8.310 nan 0.000 0.482 2116 G N 2.023 110.787 108.800 -0.060 0.000 2.440 2116 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 2116 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 2116 G C 1.322 176.164 174.900 -0.097 0.000 1.154 2116 G CA 0.729 45.785 45.100 -0.074 0.000 0.767 2116 G HN 0.473 nan 8.290 nan 0.000 0.552 2117 I N 1.314 121.791 120.570 -0.155 0.000 2.179 2117 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 2117 I C 3.301 179.367 176.117 -0.086 0.000 1.088 2117 I CA 1.081 62.295 61.300 -0.144 0.000 1.357 2117 I CB -0.265 37.629 38.000 -0.177 0.000 1.051 2117 I HN 0.251 nan 8.210 nan 0.000 0.409 2118 A N 0.172 122.945 122.820 -0.079 0.000 1.972 2118 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 2118 A C 2.357 179.922 177.584 -0.032 0.000 1.169 2118 A CA 2.301 54.298 52.037 -0.068 0.000 0.635 2118 A CB -0.983 17.970 19.000 -0.079 0.000 0.810 2118 A HN 0.395 nan 8.150 nan 0.000 0.446 2119 T N 0.236 114.777 114.554 -0.023 0.000 2.674 2119 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 2119 T C 2.282 176.998 174.700 0.027 0.000 1.039 2119 T CA 1.651 63.750 62.100 -0.002 0.000 1.150 2119 T CB -0.472 68.392 68.868 -0.006 0.000 0.864 2119 T HN 0.590 nan 8.240 nan 0.000 0.427 2120 A N 1.286 124.129 122.820 0.038 0.000 1.902 2120 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 2120 A C 2.591 180.303 177.584 0.214 0.000 1.181 2120 A CA 2.366 54.474 52.037 0.118 0.000 0.623 2120 A CB -1.324 17.737 19.000 0.102 0.000 0.818 2120 A HN 0.570 nan 8.150 nan 0.000 0.443 2121 T N -1.269 113.342 114.554 0.096 0.000 2.867 2121 T HA 0.035 4.385 4.350 -0.000 0.000 0.268 2121 T C 1.854 176.632 174.700 0.131 0.000 1.057 2121 T CA 1.855 64.010 62.100 0.092 0.000 1.136 2121 T CB -0.451 68.398 68.868 -0.031 0.000 0.874 2121 T HN 0.556 nan 8.240 nan 0.000 0.466 2122 A N 0.891 123.758 122.820 0.077 0.000 2.015 2122 A HA 0.418 4.738 4.320 -0.000 0.000 0.219 2122 A C 2.754 180.381 177.584 0.072 0.000 1.163 2122 A CA 1.641 53.712 52.037 0.057 0.000 0.646 2122 A CB -1.180 17.834 19.000 0.023 0.000 0.806 2122 A HN 0.768 nan 8.150 nan 0.000 0.448 2123 A N -1.231 121.642 122.820 0.087 0.000 1.897 2123 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 2123 A C 1.913 179.500 177.584 0.005 0.000 1.181 2123 A CA 1.257 53.303 52.037 0.016 0.000 0.620 2123 A CB -0.791 18.192 19.000 -0.029 0.000 0.821 2123 A HN 0.698 nan 8.150 nan 0.000 0.443 2124 W N -0.113 121.176 121.300 -0.019 0.000 2.358 2124 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 2124 W C 2.328 178.843 176.519 -0.006 0.000 1.208 2124 W CA 1.503 58.840 57.345 -0.013 0.000 1.274 2124 W CB -0.716 28.731 29.460 -0.021 0.000 1.138 2124 W HN 0.116 nan 8.180 nan 0.000 0.515 2125 V N 0.551 120.599 119.914 0.223 0.000 2.332 2125 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 2125 V C 1.813 177.950 176.094 0.072 0.000 1.055 2125 V CA 2.267 64.642 62.300 0.124 0.000 1.038 2125 V CB -0.876 30.997 31.823 0.083 0.000 0.651 2125 V HN 0.081 nan 8.190 nan 0.000 0.450 2126 D N 0.360 120.787 120.400 0.045 0.000 2.144 2126 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 2126 D C 2.234 178.535 176.300 0.003 0.000 0.978 2126 D CA 1.517 55.525 54.000 0.014 0.000 0.833 2126 D CB -0.395 40.403 40.800 -0.004 0.000 0.961 2126 D HN 0.441 nan 8.370 nan 0.000 0.470 2127 A N 0.701 123.512 122.820 -0.014 0.000 1.940 2127 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 2127 A C 2.115 179.703 177.584 0.006 0.000 1.176 2127 A CA 1.823 53.836 52.037 -0.041 0.000 0.631 2127 A CB -0.458 18.462 19.000 -0.134 0.000 0.814 2127 A HN 0.264 nan 8.150 nan 0.000 0.446 2128 V N -2.705 117.238 119.914 0.048 0.000 3.342 2128 V HA 0.330 4.450 4.120 -0.000 0.000 0.322 2128 V C 0.609 176.728 176.094 0.042 0.000 1.370 2128 V CA -0.117 62.219 62.300 0.060 0.000 1.170 2128 V CB -1.130 30.752 31.823 0.098 0.000 1.101 2128 V HN 0.447 nan 8.190 nan 0.000 0.442 2129 R N 1.108 121.626 120.500 0.029 0.000 2.623 2129 R HA 0.443 4.783 4.340 -0.000 0.000 0.271 2129 R C 1.368 177.677 176.300 0.014 0.000 1.043 2129 R CA 1.345 57.457 56.100 0.020 0.000 1.083 2129 R CB 0.256 30.564 30.300 0.013 0.000 0.974 2129 R HN 0.911 nan 8.270 nan 0.000 0.436 2130 G N 1.636 110.442 108.800 0.011 0.000 2.143 2130 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 2130 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 2130 G C 0.034 174.939 174.900 0.008 0.000 0.981 2130 G CA 0.412 45.516 45.100 0.007 0.000 0.665 2130 G HN 0.695 nan 8.290 nan 0.000 0.528 2131 T N -0.928 113.632 114.554 0.010 0.000 2.916 2131 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 2131 T C 1.251 175.950 174.700 -0.001 0.000 1.064 2131 T CA -0.032 62.074 62.100 0.010 0.000 1.011 2131 T CB 1.399 70.281 68.868 0.024 0.000 1.152 2131 T HN 0.352 nan 8.240 nan 0.000 0.510 2132 K N 0.643 121.034 120.400 -0.015 0.000 2.404 2132 K HA 0.483 4.803 4.320 -0.000 0.000 0.194 2132 K C 0.707 177.271 176.600 -0.059 0.000 1.023 2132 K CA -0.244 56.021 56.287 -0.037 0.000 1.094 2132 K CB 0.297 32.766 32.500 -0.053 0.000 0.841 2132 K HN 0.433 nan 8.250 nan 0.000 0.523 2133 A N 1.894 124.694 122.820 -0.033 0.000 2.445 2133 A HA 0.255 4.575 4.320 -0.000 0.000 0.242 2133 A C -0.760 176.829 177.584 0.007 0.000 1.075 2133 A CA -0.147 51.870 52.037 -0.033 0.000 0.777 2133 A CB 0.261 19.276 19.000 0.026 0.000 1.013 2133 A HN 0.340 nan 8.150 nan 0.000 0.493 2134 K N 1.170 121.589 120.400 0.032 0.000 2.259 2134 K HA 0.555 4.875 4.320 -0.000 0.000 0.249 2134 K C -0.829 175.876 176.600 0.176 0.000 0.942 2134 K CA -0.500 55.863 56.287 0.127 0.000 0.816 2134 K CB 1.755 34.378 32.500 0.206 0.000 1.155 2134 K HN 0.504 nan 8.250 nan 0.000 0.428 2135 I N 3.168 123.804 120.570 0.110 0.000 2.342 2135 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 2135 I C 0.209 176.320 176.117 -0.009 0.000 1.010 2135 I CA -0.302 61.023 61.300 0.042 0.000 1.308 2135 I CB 0.712 38.731 38.000 0.031 0.000 1.400 2135 I HN 0.478 nan 8.210 nan 0.000 0.488 2136 R N 3.745 124.208 120.500 -0.061 0.000 2.854 2136 R HA 0.441 4.781 4.340 -0.000 0.000 0.271 2136 R C -0.775 175.461 176.300 -0.107 0.000 0.996 2136 R CA -0.865 55.181 56.100 -0.091 0.000 0.961 2136 R CB 2.112 32.320 30.300 -0.153 0.000 1.182 2136 R HN 0.585 nan 8.270 nan 0.000 0.479 2137 D N -0.294 120.063 120.400 -0.073 0.000 2.511 2137 D HA 0.357 4.996 4.640 -0.000 0.000 0.276 2137 D C 0.374 176.635 176.300 -0.066 0.000 1.220 2137 D CA -0.337 53.607 54.000 -0.094 0.000 1.077 2137 D CB 0.428 41.181 40.800 -0.079 0.000 1.126 2137 D HN 0.552 nan 8.370 nan 0.000 0.583 2138 T N -4.684 109.808 114.554 -0.103 0.000 2.626 2138 T HA 0.478 4.828 4.350 -0.000 0.000 0.279 2138 T C 0.316 174.954 174.700 -0.104 0.000 0.983 2138 T CA -1.042 60.967 62.100 -0.152 0.000 1.059 2138 T CB 1.101 69.890 68.868 -0.131 0.000 1.396 2138 T HN 0.291 nan 8.240 nan 0.000 0.519 2139 R N 0.203 120.640 120.500 -0.105 0.000 2.466 2139 R HA 0.230 4.570 4.340 -0.000 0.000 0.279 2139 R C 0.051 176.342 176.300 -0.015 0.000 0.976 2139 R CA -0.136 55.933 56.100 -0.052 0.000 1.081 2139 R CB 0.118 30.381 30.300 -0.061 0.000 1.215 2139 R HN 0.423 nan 8.270 nan 0.000 0.546 2140 K N 1.818 122.218 120.400 0.000 0.000 2.518 2140 K HA 0.066 4.386 4.320 -0.000 0.000 0.244 2140 K C 0.013 176.653 176.600 0.068 0.000 1.232 2140 K CA 0.020 56.340 56.287 0.055 0.000 1.189 2140 K CB 0.534 33.123 32.500 0.148 0.000 1.737 2140 K HN 0.091 nan 8.250 nan 0.000 0.333 2141 T N -2.220 112.363 114.554 0.048 0.000 2.938 2141 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 2141 T C -0.113 174.621 174.700 0.058 0.000 1.028 2141 T CA -1.113 61.021 62.100 0.058 0.000 1.005 2141 T CB 1.210 70.108 68.868 0.049 0.000 1.157 2141 T HN -0.068 nan 8.240 nan 0.000 0.550 2142 L N 2.481 123.739 121.223 0.060 0.000 2.312 2142 L HA 0.460 4.800 4.340 -0.000 0.000 0.281 2142 L C -2.064 174.819 176.870 0.022 0.000 1.070 2142 L CA -2.571 52.290 54.840 0.035 0.000 0.805 2142 L CB 0.633 42.701 42.059 0.016 0.000 1.174 2142 L HN 0.584 nan 8.230 nan 0.000 0.434 2143 P HA 0.110 nan 4.420 nan 0.000 0.261 2143 P C 0.722 178.030 177.300 0.013 0.000 1.203 2143 P CA 0.670 63.782 63.100 0.020 0.000 0.767 2143 P CB 0.593 32.301 31.700 0.014 0.000 0.785 2144 G N 2.958 111.774 108.800 0.028 0.000 2.213 2144 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 2144 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 2144 G C 0.458 175.348 174.900 -0.017 0.000 0.992 2144 G CA 0.041 45.149 45.100 0.014 0.000 0.632 2144 G HN 0.491 nan 8.290 nan 0.000 0.511 2145 L N 0.065 121.281 121.223 -0.011 0.000 2.858 2145 L HA 0.380 4.720 4.340 -0.000 0.000 0.251 2145 L C 2.259 179.134 176.870 0.008 0.000 1.149 2145 L CA 0.365 55.190 54.840 -0.025 0.000 0.955 2145 L CB 0.184 42.222 42.059 -0.035 0.000 1.289 2145 L HN 0.237 nan 8.230 nan 0.000 0.542 2146 R N 1.737 122.260 120.500 0.040 0.000 2.112 2146 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 2146 R C 2.243 178.579 176.300 0.060 0.000 1.137 2146 R CA 2.172 58.313 56.100 0.070 0.000 0.944 2146 R CB -0.204 30.163 30.300 0.111 0.000 0.857 2146 R HN 0.335 nan 8.270 nan 0.000 0.435 2147 A N 0.753 123.578 122.820 0.008 0.000 1.933 2147 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 2147 A C 2.249 179.785 177.584 -0.079 0.000 1.175 2147 A CA 1.393 53.373 52.037 -0.095 0.000 0.628 2147 A CB -0.469 18.162 19.000 -0.615 0.000 0.814 2147 A HN 0.395 nan 8.150 nan 0.000 0.444 2148 L N -1.107 120.066 121.223 -0.084 0.000 2.072 2148 L HA -0.209 4.131 4.340 -0.000 0.000 0.205 2148 L C 2.915 179.859 176.870 0.124 0.000 1.079 2148 L CA 1.378 56.223 54.840 0.010 0.000 0.752 2148 L CB -0.635 41.411 42.059 -0.021 0.000 0.906 2148 L HN 0.483 nan 8.230 nan 0.000 0.436 2149 Q N -0.036 119.819 119.800 0.091 0.000 2.084 2149 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 2149 Q C 2.196 178.225 176.000 0.048 0.000 0.978 2149 Q CA 1.499 57.352 55.803 0.083 0.000 0.844 2149 Q CB -0.044 28.746 28.738 0.087 0.000 0.898 2149 Q HN 0.191 nan 8.270 nan 0.000 0.426 2150 K N 0.005 120.442 120.400 0.062 0.000 2.148 2150 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 2150 K C 1.689 178.325 176.600 0.060 0.000 1.050 2150 K CA 0.905 57.223 56.287 0.053 0.000 0.942 2150 K CB -0.314 32.236 32.500 0.084 0.000 0.724 2150 K HN 0.260 nan 8.250 nan 0.000 0.446 2151 Y N 0.209 120.497 120.300 -0.018 0.000 2.163 2151 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 2151 Y C 1.883 177.772 175.900 -0.019 0.000 1.136 2151 Y CA 1.453 59.540 58.100 -0.022 0.000 1.147 2151 Y CB -0.577 37.857 38.460 -0.044 0.000 0.987 2151 Y HN 0.024 nan 8.280 nan 0.000 0.509 2152 A N 0.237 122.955 122.820 -0.171 0.000 1.933 2152 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 2152 A C 2.401 179.859 177.584 -0.209 0.000 1.175 2152 A CA 2.293 54.189 52.037 -0.235 0.000 0.628 2152 A CB -1.665 17.298 19.000 -0.061 0.000 0.814 2152 A HN 0.649 nan 8.150 nan 0.000 0.444 2153 V N -1.282 118.547 119.914 -0.140 0.000 2.427 2153 V HA -0.193 3.926 4.120 -0.000 0.000 0.248 2153 V C 2.227 178.245 176.094 -0.126 0.000 1.051 2153 V CA 2.342 64.572 62.300 -0.118 0.000 1.048 2153 V CB -0.852 30.912 31.823 -0.098 0.000 0.666 2153 V HN 0.542 nan 8.190 nan 0.000 0.456 2154 R N -0.008 120.403 120.500 -0.149 0.000 2.081 2154 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 2154 R C 2.426 178.621 176.300 -0.174 0.000 1.131 2154 R CA 2.150 58.170 56.100 -0.134 0.000 0.960 2154 R CB -0.630 29.599 30.300 -0.118 0.000 0.856 2154 R HN 0.669 nan 8.270 nan 0.000 0.436 2155 T N -0.912 113.460 114.554 -0.303 0.000 2.788 2155 T HA -0.088 4.261 4.350 -0.000 0.000 0.268 2155 T C 1.562 176.174 174.700 -0.146 0.000 1.044 2155 T CA 1.347 63.280 62.100 -0.279 0.000 1.139 2155 T CB -0.220 68.380 68.868 -0.448 0.000 0.867 2155 T HN 0.492 nan 8.240 nan 0.000 0.454 2156 G N -0.144 108.581 108.800 -0.124 0.000 2.848 2156 G HA2 0.361 4.321 3.960 -0.000 0.000 0.208 2156 G HA3 0.361 4.321 3.960 -0.000 0.000 0.208 2156 G C 1.102 175.981 174.900 -0.035 0.000 1.152 2156 G CA 0.454 45.516 45.100 -0.064 0.000 0.789 2156 G HN 0.775 nan 8.290 nan 0.000 0.531 2157 G N -1.780 106.993 108.800 -0.044 0.000 2.184 2157 G HA2 0.042 4.002 3.960 -0.000 0.000 0.206 2157 G HA3 0.042 4.002 3.960 -0.000 0.000 0.206 2157 G C 0.661 175.557 174.900 -0.006 0.000 0.995 2157 G CA 0.106 45.196 45.100 -0.016 0.000 0.651 2157 G HN 0.945 nan 8.290 nan 0.000 0.511 2158 G N -1.033 107.752 108.800 -0.024 0.000 2.537 2158 G HA2 0.794 4.754 3.960 -0.000 0.000 0.297 2158 G HA3 0.794 4.754 3.960 -0.000 0.000 0.297 2158 G C -0.002 174.885 174.900 -0.022 0.000 1.310 2158 G CA 0.114 45.202 45.100 -0.019 0.000 1.027 2158 G HN 1.612 nan 8.290 nan 0.000 0.505 2159 V N -1.211 118.690 119.914 -0.022 0.000 2.656 2159 V HA 0.558 4.678 4.120 -0.000 0.000 0.307 2159 V C -0.798 175.261 176.094 -0.058 0.000 1.051 2159 V CA -1.460 60.822 62.300 -0.029 0.000 0.893 2159 V CB 1.645 33.467 31.823 -0.003 0.000 0.999 2159 V HN 0.546 nan 8.190 nan 0.000 0.426 2160 N N 2.955 121.632 118.700 -0.039 0.000 2.492 2160 N HA 0.290 5.030 4.740 -0.000 0.000 0.260 2160 N C -0.155 175.332 175.510 -0.037 0.000 1.215 2160 N CA 0.184 53.223 53.050 -0.019 0.000 0.923 2160 N CB 0.597 39.093 38.487 0.016 0.000 1.092 2160 N HN 1.037 nan 8.380 nan 0.000 0.448 2161 H N 0.304 119.310 119.070 -0.108 0.000 2.965 2161 H HA 0.306 4.861 4.556 -0.000 0.000 0.220 2161 H C 0.412 175.693 175.328 -0.078 0.000 1.548 2161 H CA -0.800 55.168 56.048 -0.134 0.000 1.658 2161 H CB 0.772 30.451 29.762 -0.139 0.000 1.509 2161 H HN 0.508 nan 8.280 nan 0.000 0.930 2162 R N 0.679 121.358 120.500 0.298 0.000 2.641 2162 R HA 0.084 4.424 4.340 -0.000 0.000 0.269 2162 R C 0.125 176.461 176.300 0.060 0.000 1.074 2162 R CA -0.143 56.030 56.100 0.122 0.000 1.133 2162 R CB 0.423 30.787 30.300 0.106 0.000 1.029 2162 R HN 0.536 nan 8.270 nan 0.000 0.488 2163 L N 0.613 121.866 121.223 0.050 0.000 2.375 2163 L HA 0.260 4.600 4.340 -0.000 0.000 0.215 2163 L C 1.124 178.018 176.870 0.039 0.000 1.108 2163 L CA 0.773 55.648 54.840 0.060 0.000 0.830 2163 L CB -0.012 42.096 42.059 0.081 0.000 0.959 2163 L HN 0.997 nan 8.230 nan 0.000 0.457 2164 G N -1.812 106.997 108.800 0.014 0.000 2.731 2164 G HA2 0.339 4.299 3.960 -0.000 0.000 0.309 2164 G HA3 0.339 4.299 3.960 -0.000 0.000 0.309 2164 G C -0.455 174.442 174.900 -0.006 0.000 1.273 2164 G CA -0.562 44.539 45.100 0.002 0.000 0.798 2164 G HN -0.296 nan 8.290 nan 0.000 0.509 2165 L N 0.777 121.995 121.223 -0.008 0.000 2.209 2165 L HA 0.247 4.587 4.340 -0.000 0.000 0.207 2165 L C 2.725 179.587 176.870 -0.013 0.000 1.094 2165 L CA 2.256 57.092 54.840 -0.006 0.000 0.790 2165 L CB -0.712 41.347 42.059 0.000 0.000 0.932 2165 L HN 0.685 nan 8.230 nan 0.000 0.447 2166 G N -2.045 106.743 108.800 -0.020 0.000 2.838 2166 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.210 2166 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.210 2166 G C 1.297 176.183 174.900 -0.023 0.000 1.153 2166 G CA 0.136 45.221 45.100 -0.025 0.000 0.778 2166 G HN 0.281 nan 8.290 nan 0.000 0.539 2167 D N 0.818 121.207 120.400 -0.019 0.000 2.116 2167 D HA 0.034 4.674 4.640 -0.000 0.000 0.193 2167 D C 1.065 177.362 176.300 -0.005 0.000 0.998 2167 D CA 1.447 55.440 54.000 -0.012 0.000 0.836 2167 D CB 0.191 40.991 40.800 0.000 0.000 0.951 2167 D HN 0.304 nan 8.370 nan 0.000 0.449 2168 A N -1.205 121.616 122.820 0.000 0.000 2.601 2168 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 2168 A C -1.336 176.247 177.584 -0.000 0.000 1.075 2168 A CA -0.055 51.984 52.037 0.004 0.000 0.671 2168 A CB 1.188 20.202 19.000 0.023 0.000 1.277 2168 A HN 0.160 nan 8.150 nan 0.000 0.417 2169 A N 0.146 122.962 122.820 -0.007 0.000 2.304 2169 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 2169 A C -0.684 176.898 177.584 -0.003 0.000 1.132 2169 A CA -0.382 51.641 52.037 -0.023 0.000 0.819 2169 A CB 0.716 19.691 19.000 -0.042 0.000 1.094 2169 A HN 1.568 nan 8.150 nan 0.000 0.492 2170 L N 3.108 124.327 121.223 -0.007 0.000 2.568 2170 L HA 0.396 4.736 4.340 -0.000 0.000 0.262 2170 L C -1.349 175.551 176.870 0.050 0.000 0.980 2170 L CA -0.429 54.426 54.840 0.025 0.000 0.882 2170 L CB 0.959 43.032 42.059 0.024 0.000 1.198 2170 L HN 0.709 nan 8.230 nan 0.000 0.425 2171 I N 4.572 125.169 120.570 0.044 0.000 2.436 2171 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 2171 I C 0.279 176.501 176.117 0.174 0.000 1.083 2171 I CA 0.122 61.489 61.300 0.111 0.000 1.372 2171 I CB 0.443 38.469 38.000 0.043 0.000 1.408 2171 I HN 0.516 nan 8.210 nan 0.000 0.516 2172 K N 4.423 125.014 120.400 0.320 0.000 2.267 2172 K HA 0.190 4.510 4.320 -0.000 0.000 0.236 2172 K C 0.852 177.467 176.600 0.024 0.000 1.030 2172 K CA -0.738 55.606 56.287 0.094 0.000 0.930 2172 K CB 0.836 33.327 32.500 -0.014 0.000 1.182 2172 K HN 0.560 nan 8.250 nan 0.000 0.474 2173 D N 0.401 120.786 120.400 -0.025 0.000 2.149 2173 D HA -0.219 4.421 4.640 -0.000 0.000 0.198 2173 D C 0.811 177.076 176.300 -0.058 0.000 0.990 2173 D CA 1.555 55.541 54.000 -0.023 0.000 0.839 2173 D CB -0.329 40.459 40.800 -0.019 0.000 0.948 2173 D HN 0.324 nan 8.370 nan 0.000 0.460 2174 N N 0.245 118.854 118.700 -0.152 0.000 2.381 2174 N HA -0.108 4.631 4.740 -0.000 0.000 0.182 2174 N C 1.667 177.076 175.510 -0.168 0.000 1.025 2174 N CA 0.722 53.664 53.050 -0.180 0.000 0.888 2174 N CB -0.291 38.058 38.487 -0.229 0.000 0.965 2174 N HN 0.480 nan 8.380 nan 0.000 0.438 2175 H N -0.068 119.001 119.070 -0.002 0.000 2.384 2175 H HA 0.126 4.682 4.556 -0.000 0.000 0.300 2175 H C 2.195 177.524 175.328 0.002 0.000 1.057 2175 H CA 0.440 56.487 56.048 -0.001 0.000 1.370 2175 H CB -0.317 29.444 29.762 -0.003 0.000 1.417 2175 H HN -0.058 nan 8.280 nan 0.000 0.527 2176 V N 1.599 121.590 119.914 0.128 0.000 2.332 2176 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 2176 V C 2.823 178.945 176.094 0.047 0.000 1.055 2176 V CA 1.707 64.052 62.300 0.074 0.000 1.038 2176 V CB -1.038 30.817 31.823 0.054 0.000 0.651 2176 V HN 0.462 nan 8.190 nan 0.000 0.450 2177 A N -0.032 122.805 122.820 0.028 0.000 1.865 2177 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 2177 A C 2.450 180.047 177.584 0.022 0.000 1.191 2177 A CA 2.421 54.466 52.037 0.014 0.000 0.623 2177 A CB -0.987 18.010 19.000 -0.005 0.000 0.826 2177 A HN 0.596 nan 8.150 nan 0.000 0.444 2178 A N -0.374 122.465 122.820 0.030 0.000 1.902 2178 A HA 0.163 4.482 4.320 -0.000 0.000 0.217 2178 A C 2.431 180.039 177.584 0.041 0.000 1.181 2178 A CA 2.164 54.224 52.037 0.038 0.000 0.623 2178 A CB -0.972 18.064 19.000 0.058 0.000 0.818 2178 A HN 1.177 nan 8.150 nan 0.000 0.443 2179 A N -2.207 120.645 122.820 0.052 0.000 2.168 2179 A HA 0.360 4.679 4.320 -0.000 0.000 0.215 2179 A C 2.132 179.733 177.584 0.029 0.000 1.152 2179 A CA 1.389 53.450 52.037 0.039 0.000 0.716 2179 A CB -0.931 18.095 19.000 0.044 0.000 0.794 2179 A HN 1.904 nan 8.150 nan 0.000 0.465 2180 G N -1.631 107.186 108.800 0.029 0.000 2.304 2180 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 2180 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 2180 G C 0.427 175.340 174.900 0.023 0.000 1.014 2180 G CA 1.012 46.125 45.100 0.022 0.000 0.619 2180 G HN 1.839 nan 8.290 nan 0.000 0.525 2181 S N -2.005 113.711 115.700 0.027 0.000 2.547 2181 S HA 0.570 5.039 4.470 -0.000 0.000 0.270 2181 S C 1.193 175.812 174.600 0.031 0.000 1.150 2181 S CA 0.416 58.632 58.200 0.027 0.000 0.850 2181 S CB 1.512 64.725 63.200 0.022 0.000 1.118 2181 S HN 0.954 nan 8.310 nan 0.000 0.461 2182 V N 3.134 123.067 119.914 0.032 0.000 2.307 2182 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 2182 V C 2.344 178.454 176.094 0.027 0.000 1.045 2182 V CA 2.053 64.374 62.300 0.035 0.000 1.024 2182 V CB -0.927 30.918 31.823 0.037 0.000 0.651 2182 V HN 0.735 nan 8.190 nan 0.000 0.449 2183 V N 0.341 120.269 119.914 0.024 0.000 2.427 2183 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 2183 V C 2.330 178.432 176.094 0.014 0.000 1.051 2183 V CA 2.012 64.323 62.300 0.018 0.000 1.048 2183 V CB -0.731 31.103 31.823 0.018 0.000 0.666 2183 V HN 0.527 nan 8.190 nan 0.000 0.456 2184 D N 0.776 121.185 120.400 0.016 0.000 2.078 2184 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 2184 D C 2.297 178.603 176.300 0.010 0.000 0.990 2184 D CA 1.850 55.858 54.000 0.013 0.000 0.827 2184 D CB -0.503 40.307 40.800 0.016 0.000 0.975 2184 D HN 0.405 nan 8.370 nan 0.000 0.451 2185 A N 1.110 123.940 122.820 0.016 0.000 1.892 2185 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 2185 A C 2.372 179.953 177.584 -0.006 0.000 1.188 2185 A CA 1.333 53.377 52.037 0.010 0.000 0.631 2185 A CB -1.042 17.978 19.000 0.033 0.000 0.822 2185 A HN 0.291 nan 8.150 nan 0.000 0.447 2186 L N -1.136 120.088 121.223 0.002 0.000 1.989 2186 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 2186 L C 2.863 179.728 176.870 -0.007 0.000 1.071 2186 L CA 1.563 56.401 54.840 -0.003 0.000 0.749 2186 L CB -0.293 41.770 42.059 0.006 0.000 0.890 2186 L HN 0.305 nan 8.230 nan 0.000 0.431 2187 R N -0.068 120.430 120.500 -0.003 0.000 2.083 2187 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 2187 R C 2.219 178.513 176.300 -0.010 0.000 1.137 2187 R CA 1.553 57.650 56.100 -0.004 0.000 0.951 2187 R CB -1.285 29.015 30.300 -0.000 0.000 0.851 2187 R HN 0.525 nan 8.270 nan 0.000 0.434 2188 A N 0.590 123.402 122.820 -0.012 0.000 1.917 2188 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 2188 A C 2.500 180.067 177.584 -0.028 0.000 1.182 2188 A CA 2.048 54.074 52.037 -0.018 0.000 0.633 2188 A CB -0.633 18.356 19.000 -0.018 0.000 0.819 2188 A HN 0.146 nan 8.150 nan 0.000 0.448 2189 V N -0.013 119.879 119.914 -0.037 0.000 2.548 2189 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 2189 V C 2.624 178.699 176.094 -0.031 0.000 1.055 2189 V CA 1.688 63.960 62.300 -0.047 0.000 1.065 2189 V CB -0.791 30.995 31.823 -0.062 0.000 0.681 2189 V HN 0.462 nan 8.190 nan 0.000 0.462 2190 R N 0.944 121.431 120.500 -0.022 0.000 2.081 2190 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 2190 R C 2.051 178.342 176.300 -0.015 0.000 1.131 2190 R CA 1.453 57.544 56.100 -0.016 0.000 0.960 2190 R CB -0.803 29.491 30.300 -0.010 0.000 0.856 2190 R HN 0.562 nan 8.270 nan 0.000 0.436 2191 N N 0.859 119.550 118.700 -0.015 0.000 2.216 2191 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 2191 N C 1.647 177.148 175.510 -0.016 0.000 1.017 2191 N CA 1.381 54.424 53.050 -0.013 0.000 0.861 2191 N CB -0.276 38.204 38.487 -0.011 0.000 0.986 2191 N HN 0.200 nan 8.380 nan 0.000 0.428 2192 A N 0.052 122.860 122.820 -0.021 0.000 1.930 2192 A HA 0.441 4.761 4.320 -0.000 0.000 0.215 2192 A C 1.129 178.699 177.584 -0.023 0.000 1.176 2192 A CA 1.218 53.241 52.037 -0.023 0.000 0.632 2192 A CB -0.013 18.969 19.000 -0.030 0.000 0.819 2192 A HN 0.255 nan 8.150 nan 0.000 0.445 2193 A N -0.509 122.296 122.820 -0.025 0.000 3.370 2193 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 2193 A C -1.701 175.872 177.584 -0.020 0.000 1.030 2193 A CA -0.669 51.354 52.037 -0.023 0.000 0.883 2193 A CB 0.401 19.384 19.000 -0.028 0.000 1.191 2193 A HN 0.187 nan 8.150 nan 0.000 0.507 2194 P HA -0.154 nan 4.420 nan 0.000 0.225 2194 P C 0.360 177.654 177.300 -0.011 0.000 1.148 2194 P CA 1.405 64.498 63.100 -0.012 0.000 0.779 2194 P CB 0.261 31.955 31.700 -0.010 0.000 0.780 2195 D N -1.258 119.135 120.400 -0.012 0.000 2.338 2195 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 2195 D C 0.880 177.173 176.300 -0.011 0.000 0.997 2195 D CA -0.112 53.881 54.000 -0.011 0.000 0.880 2195 D CB -0.564 40.229 40.800 -0.011 0.000 0.980 2195 D HN 0.113 nan 8.370 nan 0.000 0.509 2196 L N 1.957 123.172 121.223 -0.014 0.000 2.417 2196 L HA 0.334 4.674 4.340 -0.000 0.000 0.268 2196 L C -2.287 174.576 176.870 -0.012 0.000 1.158 2196 L CA -1.710 53.121 54.840 -0.015 0.000 0.819 2196 L CB 0.666 42.714 42.059 -0.019 0.000 1.112 2196 L HN -0.244 nan 8.230 nan 0.000 0.458 2197 P HA 0.115 nan 4.420 nan 0.000 0.271 2197 P C -1.253 176.043 177.300 -0.006 0.000 1.216 2197 P CA -0.265 62.830 63.100 -0.008 0.000 0.771 2197 P CB 0.586 32.279 31.700 -0.010 0.000 0.864 2198 C N 3.616 122.914 119.300 -0.004 0.000 2.408 2198 C HA 0.544 5.004 4.460 -0.000 0.000 0.321 2198 C C -0.807 174.187 174.990 0.007 0.000 1.245 2198 C CA -0.186 58.831 59.018 -0.002 0.000 1.523 2198 C CB 0.111 27.847 27.740 -0.008 0.000 2.178 2198 C HN 0.586 nan 8.230 nan 0.000 0.488 2199 E N 2.621 122.831 120.200 0.016 0.000 2.248 2199 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 2199 E C -1.227 175.386 176.600 0.023 0.000 0.877 2199 E CA -0.425 55.991 56.400 0.027 0.000 0.759 2199 E CB 2.207 31.943 29.700 0.060 0.000 1.182 2199 E HN 0.532 nan 8.360 nan 0.000 0.418 2200 V N 2.153 122.077 119.914 0.018 0.000 2.495 2200 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 2200 V C -0.899 175.203 176.094 0.013 0.000 1.031 2200 V CA -0.555 61.757 62.300 0.019 0.000 0.871 2200 V CB 1.674 33.507 31.823 0.017 0.000 0.988 2200 V HN 0.765 nan 8.190 nan 0.000 0.432 2201 E N 5.308 125.521 120.200 0.021 0.000 2.200 2201 E HA 0.554 4.903 4.350 -0.000 0.000 0.283 2201 E C -0.970 175.639 176.600 0.016 0.000 1.015 2201 E CA -0.502 55.901 56.400 0.006 0.000 0.819 2201 E CB 1.682 31.391 29.700 0.015 0.000 1.081 2201 E HN 0.749 nan 8.360 nan 0.000 0.397 2202 V N 1.870 121.783 119.914 -0.002 0.000 2.680 2202 V HA 0.445 4.565 4.120 -0.000 0.000 0.309 2202 V C -0.387 175.789 176.094 0.137 0.000 1.052 2202 V CA -0.704 61.632 62.300 0.059 0.000 0.908 2202 V CB 1.834 33.701 31.823 0.074 0.000 1.001 2202 V HN 0.771 nan 8.190 nan 0.000 0.431 2203 D N 1.207 121.740 120.400 0.222 0.000 2.501 2203 D HA 0.319 4.959 4.640 -0.000 0.000 0.224 2203 D C 0.338 176.815 176.300 0.294 0.000 1.202 2203 D CA 0.513 54.706 54.000 0.322 0.000 0.829 2203 D CB 0.335 41.226 40.800 0.153 0.000 1.023 2203 D HN 1.009 nan 8.370 nan 0.000 0.499 2204 S N -1.393 114.479 115.700 0.288 0.000 2.588 2204 S HA 0.368 4.837 4.470 -0.000 0.000 0.269 2204 S C 0.319 174.977 174.600 0.097 0.000 1.157 2204 S CA -0.920 57.279 58.200 -0.003 0.000 0.824 2204 S CB 0.692 63.885 63.200 -0.011 0.000 1.126 2204 S HN -0.015 nan 8.310 nan 0.000 0.464 2205 L N 0.802 121.970 121.223 -0.093 0.000 2.275 2205 L HA 0.012 4.351 4.340 -0.000 0.000 0.215 2205 L C 2.191 179.098 176.870 0.061 0.000 1.119 2205 L CA 1.120 55.974 54.840 0.024 0.000 0.790 2205 L CB -0.478 41.545 42.059 -0.059 0.000 0.919 2205 L HN 0.707 nan 8.230 nan 0.000 0.443 2206 E N -0.003 120.220 120.200 0.039 0.000 2.028 2206 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 2206 E C 2.198 178.833 176.600 0.058 0.000 0.988 2206 E CA 1.117 57.543 56.400 0.043 0.000 0.799 2206 E CB -0.191 29.527 29.700 0.030 0.000 0.755 2206 E HN 0.424 nan 8.360 nan 0.000 0.447 2207 Q N -0.084 119.760 119.800 0.073 0.000 2.124 2207 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 2207 Q C 2.266 178.314 176.000 0.079 0.000 0.977 2207 Q CA 1.078 56.925 55.803 0.074 0.000 0.850 2207 Q CB -0.242 28.547 28.738 0.085 0.000 0.901 2207 Q HN 0.199 nan 8.270 nan 0.000 0.429 2208 L N 1.446 122.737 121.223 0.113 0.000 1.989 2208 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 2208 L C 1.521 178.433 176.870 0.070 0.000 1.071 2208 L CA 2.035 56.936 54.840 0.101 0.000 0.749 2208 L CB -0.501 41.653 42.059 0.158 0.000 0.890 2208 L HN 0.102 nan 8.230 nan 0.000 0.431 2209 D N 0.054 120.495 120.400 0.068 0.000 2.149 2209 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 2209 D C 2.186 178.510 176.300 0.040 0.000 0.990 2209 D CA 1.606 55.636 54.000 0.050 0.000 0.839 2209 D CB -0.275 40.553 40.800 0.047 0.000 0.948 2209 D HN 0.566 nan 8.370 nan 0.000 0.460 2210 A N 0.654 123.498 122.820 0.040 0.000 1.930 2210 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 2210 A C 2.420 180.022 177.584 0.029 0.000 1.175 2210 A CA 1.898 53.955 52.037 0.033 0.000 0.627 2210 A CB -0.498 18.523 19.000 0.033 0.000 0.815 2210 A HN 0.257 nan 8.150 nan 0.000 0.443 2211 V N -3.049 116.884 119.914 0.032 0.000 2.992 2211 V HA 0.064 4.184 4.120 -0.000 0.000 0.250 2211 V C 2.132 178.239 176.094 0.022 0.000 1.090 2211 V CA 0.927 63.242 62.300 0.025 0.000 1.101 2211 V CB -0.806 31.032 31.823 0.025 0.000 0.743 2211 V HN 0.381 nan 8.190 nan 0.000 0.468 2212 L N 0.976 122.215 121.223 0.026 0.000 2.021 2212 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 2212 L C 0.513 177.394 176.870 0.018 0.000 1.074 2212 L CA 2.679 57.533 54.840 0.022 0.000 0.760 2212 L CB -1.714 40.361 42.059 0.027 0.000 0.889 2212 L HN 0.381 nan 8.230 nan 0.000 0.433 2213 P HA -0.157 nan 4.420 nan 0.000 0.222 2213 P C 0.929 178.237 177.300 0.012 0.000 1.147 2213 P CA 1.184 64.293 63.100 0.015 0.000 0.790 2213 P CB -0.029 31.681 31.700 0.016 0.000 0.780 2214 E N 0.408 120.616 120.200 0.013 0.000 2.418 2214 E HA -0.047 4.302 4.350 -0.000 0.000 0.197 2214 E C 0.402 177.007 176.600 0.008 0.000 1.026 2214 E CA 0.208 56.614 56.400 0.010 0.000 0.862 2214 E CB -0.467 29.239 29.700 0.010 0.000 0.799 2214 E HN 0.321 nan 8.360 nan 0.000 0.518 2215 K N 0.949 121.355 120.400 0.009 0.000 3.619 2215 K HA -0.126 4.194 4.320 -0.000 0.000 0.275 2215 K C -2.405 174.199 176.600 0.007 0.000 0.993 2215 K CA 0.210 56.501 56.287 0.008 0.000 0.787 2215 K CB -1.099 31.405 32.500 0.007 0.000 1.431 2215 K HN 0.225 nan 8.250 nan 0.000 0.451 2216 P HA 0.095 nan 4.420 nan 0.000 0.276 2216 P C 0.441 177.746 177.300 0.008 0.000 1.252 2216 P CA -0.158 62.946 63.100 0.007 0.000 0.802 2216 P CB 0.879 32.584 31.700 0.008 0.000 1.035 2217 E N -0.046 120.159 120.200 0.008 0.000 2.038 2217 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 2217 E C 0.357 176.969 176.600 0.020 0.000 1.000 2217 E CA 1.427 57.834 56.400 0.012 0.000 0.803 2217 E CB -0.213 29.492 29.700 0.008 0.000 0.750 2217 E HN 0.355 nan 8.360 nan 0.000 0.448 2218 L N -0.234 121.000 121.223 0.019 0.000 2.434 2218 L HA 0.478 4.817 4.340 -0.000 0.000 0.260 2218 L C -1.085 175.795 176.870 0.016 0.000 0.983 2218 L CA -0.585 54.272 54.840 0.028 0.000 0.820 2218 L CB 2.156 44.233 42.059 0.030 0.000 1.361 2218 L HN -0.077 nan 8.230 nan 0.000 0.410 2219 I N 3.049 123.623 120.570 0.006 0.000 2.465 2219 I HA 0.406 4.575 4.170 -0.000 0.000 0.291 2219 I C -0.935 175.156 176.117 -0.043 0.000 1.014 2219 I CA -0.592 60.696 61.300 -0.020 0.000 1.093 2219 I CB 2.317 40.297 38.000 -0.034 0.000 1.267 2219 I HN 0.371 nan 8.210 nan 0.000 0.431 2220 L N 7.235 128.424 121.223 -0.057 0.000 2.276 2220 L HA 0.489 4.829 4.340 -0.000 0.000 0.286 2220 L C -0.893 175.864 176.870 -0.189 0.000 1.024 2220 L CA -0.529 54.263 54.840 -0.080 0.000 0.826 2220 L CB 0.756 42.800 42.059 -0.026 0.000 1.211 2220 L HN 0.516 nan 8.230 nan 0.000 0.422 2221 L N 4.747 125.775 121.223 -0.324 0.000 2.363 2221 L HA 0.230 4.570 4.340 -0.000 0.000 0.286 2221 L C -0.265 176.359 176.870 -0.411 0.000 1.106 2221 L CA -0.307 54.099 54.840 -0.723 0.000 0.859 2221 L CB 0.299 41.791 42.059 -0.945 0.000 1.223 2221 L HN 0.583 nan 8.230 nan 0.000 0.446 2222 D N 4.787 125.062 120.400 -0.208 0.000 2.336 2222 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 2222 D C 0.470 176.871 176.300 0.169 0.000 1.213 2222 D CA 0.113 54.114 54.000 0.002 0.000 0.870 2222 D CB 0.288 41.107 40.800 0.032 0.000 1.076 2222 D HN 0.412 nan 8.370 nan 0.000 0.483 2223 N N 3.160 121.937 118.700 0.128 0.000 2.738 2223 N HA -0.223 4.516 4.740 -0.000 0.000 0.249 2223 N C -0.934 174.762 175.510 0.310 0.000 1.047 2223 N CA 0.472 53.626 53.050 0.174 0.000 0.707 2223 N CB -0.956 37.603 38.487 0.120 0.000 0.937 2223 N HN 0.304 nan 8.380 nan 0.000 0.545 2224 F N 0.937 120.901 119.950 0.024 0.000 2.384 2224 F HA 0.503 5.030 4.527 0.001 0.000 0.338 2224 F C 1.331 177.163 175.800 0.053 0.000 1.103 2224 F CA -0.993 56.997 58.000 -0.018 0.000 1.157 2224 F CB 0.760 39.740 39.000 -0.034 0.000 1.167 2224 F HN 0.133 nan 8.300 nan 0.000 0.529 2225 A N 2.732 125.533 122.820 -0.032 0.000 2.346 2225 A HA 0.358 4.678 4.320 -0.000 0.000 0.252 2225 A C 1.142 178.646 177.584 -0.133 0.000 1.089 2225 A CA -0.416 51.589 52.037 -0.052 0.000 0.797 2225 A CB 0.138 19.021 19.000 -0.196 0.000 1.047 2225 A HN 0.670 nan 8.150 nan 0.000 0.494 2226 V N 1.052 120.833 119.914 -0.221 0.000 2.407 2226 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 2226 V C 2.265 178.286 176.094 -0.123 0.000 1.055 2226 V CA 2.287 64.353 62.300 -0.389 0.000 1.049 2226 V CB -1.167 30.387 31.823 -0.448 0.000 0.662 2226 V HN 1.062 nan 8.190 nan 0.000 0.455 2227 W N 0.676 121.934 121.300 -0.070 0.000 2.374 2227 W HA -0.174 4.486 4.660 0.000 0.000 0.288 2227 W C 1.785 178.307 176.519 0.006 0.000 1.218 2227 W CA 1.139 58.465 57.345 -0.033 0.000 1.245 2227 W CB -0.872 28.567 29.460 -0.035 0.000 1.126 2227 W HN 0.288 nan 8.180 nan 0.000 0.545 2228 Q N 0.669 119.950 119.800 -0.865 0.000 2.187 2228 Q HA -0.081 4.258 4.340 -0.000 0.000 0.199 2228 Q C 2.319 178.271 176.000 -0.079 0.000 0.957 2228 Q CA 2.197 57.526 55.803 -0.790 0.000 0.857 2228 Q CB -0.263 27.781 28.738 -1.157 0.000 0.929 2228 Q HN 0.170 nan 8.270 nan 0.000 0.453 2229 T N 0.656 115.239 114.554 0.048 0.000 2.821 2229 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 2229 T C 1.714 176.468 174.700 0.090 0.000 1.046 2229 T CA 1.352 63.549 62.100 0.162 0.000 1.139 2229 T CB -0.115 68.853 68.868 0.167 0.000 0.871 2229 T HN 0.160 nan 8.240 nan 0.000 0.454 2230 Q N 1.165 121.000 119.800 0.057 0.000 2.084 2230 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 2230 Q C 2.280 178.331 176.000 0.085 0.000 0.978 2230 Q CA 1.978 57.822 55.803 0.069 0.000 0.844 2230 Q CB -0.908 27.880 28.738 0.084 0.000 0.898 2230 Q HN 0.465 nan 8.270 nan 0.000 0.426 2231 T N 0.498 115.114 114.554 0.104 0.000 2.674 2231 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 2231 T C 1.780 176.537 174.700 0.094 0.000 1.039 2231 T CA 1.644 63.811 62.100 0.111 0.000 1.150 2231 T CB -0.852 68.091 68.868 0.126 0.000 0.864 2231 T HN 0.481 nan 8.240 nan 0.000 0.427 2232 A N 1.062 123.951 122.820 0.114 0.000 1.927 2232 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 2232 A C 2.607 180.230 177.584 0.065 0.000 1.185 2232 A CA 1.856 53.962 52.037 0.115 0.000 0.639 2232 A CB -1.211 17.877 19.000 0.148 0.000 0.820 2232 A HN 0.373 nan 8.150 nan 0.000 0.451 2233 V N -0.546 119.402 119.914 0.057 0.000 2.427 2233 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 2233 V C 2.614 178.730 176.094 0.035 0.000 1.051 2233 V CA 2.251 64.573 62.300 0.036 0.000 1.048 2233 V CB -0.833 31.009 31.823 0.032 0.000 0.666 2233 V HN 0.651 nan 8.190 nan 0.000 0.456 2234 Q N -0.467 119.361 119.800 0.047 0.000 2.079 2234 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 2234 Q C 2.515 178.539 176.000 0.040 0.000 0.974 2234 Q CA 1.474 57.302 55.803 0.042 0.000 0.840 2234 Q CB -0.144 28.625 28.738 0.051 0.000 0.898 2234 Q HN 0.569 nan 8.270 nan 0.000 0.430 2235 R N 0.090 120.619 120.500 0.048 0.000 2.092 2235 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 2235 R C 2.374 178.694 176.300 0.034 0.000 1.119 2235 R CA 0.838 56.964 56.100 0.044 0.000 0.970 2235 R CB -0.202 30.131 30.300 0.055 0.000 0.864 2235 R HN 0.076 nan 8.270 nan 0.000 0.440 2236 R N 1.492 122.010 120.500 0.031 0.000 2.081 2236 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 2236 R C 1.016 177.325 176.300 0.015 0.000 1.131 2236 R CA 1.824 57.936 56.100 0.021 0.000 0.960 2236 R CB -0.445 29.863 30.300 0.014 0.000 0.856 2236 R HN 0.132 nan 8.270 nan 0.000 0.436 2237 D N -0.016 120.393 120.400 0.015 0.000 2.178 2237 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 2237 D C 1.819 178.126 176.300 0.013 0.000 0.980 2237 D CA 1.851 55.858 54.000 0.011 0.000 0.842 2237 D CB 0.032 40.840 40.800 0.012 0.000 0.948 2237 D HN 0.426 nan 8.370 nan 0.000 0.472 2238 S N -0.697 115.014 115.700 0.017 0.000 2.470 2238 S HA 0.105 4.575 4.470 -0.000 0.000 0.222 2238 S C 1.764 176.374 174.600 0.016 0.000 1.024 2238 S CA -0.047 58.163 58.200 0.017 0.000 0.931 2238 S CB 0.299 63.511 63.200 0.020 0.000 0.791 2238 S HN 0.135 nan 8.310 nan 0.000 0.513 2239 R N 0.891 121.401 120.500 0.018 0.000 2.250 2239 R HA 0.511 4.851 4.340 -0.000 0.000 0.194 2239 R C 0.259 176.567 176.300 0.014 0.000 0.927 2239 R CA 0.693 56.803 56.100 0.017 0.000 1.052 2239 R CB 0.495 30.807 30.300 0.021 0.000 1.055 2239 R HN 0.371 nan 8.270 nan 0.000 0.537 2240 A N 1.158 123.986 122.820 0.013 0.000 3.307 2240 A HA 0.349 4.669 4.320 -0.000 0.000 0.289 2240 A C -2.366 175.222 177.584 0.007 0.000 1.138 2240 A CA -0.989 51.054 52.037 0.010 0.000 0.860 2240 A CB 0.731 19.738 19.000 0.011 0.000 1.318 2240 A HN -0.101 nan 8.150 nan 0.000 0.551 2241 P HA -0.202 nan 4.420 nan 0.000 0.219 2241 P C 1.680 178.979 177.300 -0.002 0.000 1.144 2241 P CA 2.379 65.479 63.100 0.001 0.000 0.806 2241 P CB 0.093 31.794 31.700 0.001 0.000 0.771 2242 T N -4.994 109.560 114.554 0.000 0.000 3.067 2242 T HA 0.064 4.414 4.350 -0.000 0.000 0.261 2242 T C 0.765 175.466 174.700 0.002 0.000 1.110 2242 T CA 0.048 62.148 62.100 0.000 0.000 1.113 2242 T CB -0.786 68.084 68.868 0.002 0.000 0.917 2242 T HN -0.181 nan 8.240 nan 0.000 0.499 2243 V N 2.809 122.725 119.914 0.003 0.000 2.555 2243 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 2243 V C 0.364 176.459 176.094 0.002 0.000 1.044 2243 V CA -0.326 61.977 62.300 0.006 0.000 1.026 2243 V CB 0.756 32.583 31.823 0.007 0.000 0.981 2243 V HN 0.493 nan 8.190 nan 0.000 0.480 2244 M N 5.164 124.771 119.600 0.012 0.000 2.314 2244 M HA 0.460 4.940 4.480 -0.000 0.000 0.342 2244 M C -1.042 175.272 176.300 0.022 0.000 1.171 2244 M CA -0.637 54.671 55.300 0.012 0.000 1.098 2244 M CB 1.451 34.081 32.600 0.050 0.000 1.559 2244 M HN 0.325 nan 8.290 nan 0.000 0.459 2245 L N 2.159 123.385 121.223 0.004 0.000 2.334 2245 L HA 0.510 4.850 4.340 -0.000 0.000 0.276 2245 L C -0.475 176.419 176.870 0.040 0.000 1.014 2245 L CA -0.197 54.643 54.840 -0.001 0.000 0.815 2245 L CB 1.728 43.772 42.059 -0.025 0.000 1.268 2245 L HN 0.660 nan 8.230 nan 0.000 0.428 2246 E N 1.041 121.260 120.200 0.032 0.000 2.274 2246 E HA 0.486 4.836 4.350 -0.000 0.000 0.269 2246 E C -1.464 175.131 176.600 -0.010 0.000 0.891 2246 E CA -0.402 56.045 56.400 0.078 0.000 0.784 2246 E CB 1.381 31.155 29.700 0.124 0.000 1.225 2246 E HN 0.586 nan 8.360 nan 0.000 0.412 2247 S N 2.318 118.015 115.700 -0.006 0.000 2.537 2247 S HA 0.486 4.956 4.470 -0.000 0.000 0.275 2247 S C -0.581 173.967 174.600 -0.087 0.000 1.272 2247 S CA -0.564 57.598 58.200 -0.064 0.000 1.050 2247 S CB 1.455 64.629 63.200 -0.043 0.000 0.961 2247 S HN 0.435 nan 8.310 nan 0.000 0.496 2248 S N 1.396 117.033 115.700 -0.106 0.000 2.536 2248 S HA 0.817 5.287 4.470 -0.000 0.000 0.271 2248 S C 0.134 174.685 174.600 -0.081 0.000 1.134 2248 S CA 0.312 58.455 58.200 -0.095 0.000 0.897 2248 S CB 1.117 64.277 63.200 -0.067 0.000 1.094 2248 S HN 1.266 nan 8.310 nan 0.000 0.473 2249 G N 2.707 111.464 108.800 -0.072 0.000 2.013 2249 G HA2 0.103 4.062 3.960 -0.000 0.000 0.076 2249 G HA3 0.103 4.062 3.960 -0.000 0.000 0.076 2249 G C 0.426 175.312 174.900 -0.023 0.000 1.053 2249 G CA 0.040 45.123 45.100 -0.029 0.000 1.230 2249 G HN 1.547 nan 8.290 nan 0.000 0.431 2250 G N 0.709 109.503 108.800 -0.010 0.000 3.401 2250 G HA2 0.504 4.464 3.960 -0.000 0.000 0.251 2250 G HA3 0.504 4.464 3.960 -0.000 0.000 0.251 2250 G C -0.368 174.517 174.900 -0.024 0.000 0.960 2250 G CA 0.101 45.216 45.100 0.025 0.000 1.900 2250 G HN 0.436 nan 8.290 nan 0.000 0.645 2251 L N 1.847 123.044 121.223 -0.043 0.000 2.289 2251 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 2251 L C 0.528 177.543 176.870 0.240 0.000 1.049 2251 L CA -0.505 54.340 54.840 0.007 0.000 0.804 2251 L CB 1.703 43.748 42.059 -0.023 0.000 1.195 2251 L HN 0.293 nan 8.230 nan 0.000 0.428 2252 S N 2.400 118.241 115.700 0.235 0.000 2.570 2252 S HA 0.416 4.886 4.470 -0.000 0.000 0.286 2252 S C 0.531 175.045 174.600 -0.142 0.000 1.099 2252 S CA -0.738 57.560 58.200 0.163 0.000 0.913 2252 S CB 1.285 64.534 63.200 0.081 0.000 1.085 2252 S HN 0.427 nan 8.310 nan 0.000 0.480 2253 L N 1.615 122.547 121.223 -0.484 0.000 2.187 2253 L HA -0.075 4.265 4.340 -0.000 0.000 0.213 2253 L C 2.477 179.071 176.870 -0.459 0.000 1.100 2253 L CA 1.934 56.196 54.840 -0.962 0.000 0.765 2253 L CB -1.064 40.505 42.059 -0.816 0.000 0.904 2253 L HN 0.830 nan 8.230 nan 0.000 0.437 2254 Q N -1.358 118.309 119.800 -0.222 0.000 2.230 2254 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 2254 Q C 1.849 177.821 176.000 -0.045 0.000 0.963 2254 Q CA 1.619 57.355 55.803 -0.112 0.000 0.866 2254 Q CB -1.103 27.602 28.738 -0.054 0.000 0.931 2254 Q HN 0.689 nan 8.270 nan 0.000 0.452 2255 T N -2.999 111.559 114.554 0.007 0.000 3.040 2255 T HA 0.470 4.820 4.350 -0.000 0.000 0.250 2255 T C 1.892 176.722 174.700 0.216 0.000 1.058 2255 T CA 0.397 62.582 62.100 0.142 0.000 0.988 2255 T CB 0.139 69.178 68.868 0.284 0.000 0.993 2255 T HN 0.206 nan 8.240 nan 0.000 0.519 2256 A N 2.256 125.118 122.820 0.069 0.000 1.903 2256 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 2256 A C 2.756 180.442 177.584 0.170 0.000 1.191 2256 A CA 2.218 54.337 52.037 0.137 0.000 0.638 2256 A CB -1.481 17.482 19.000 -0.060 0.000 0.823 2256 A HN 0.792 nan 8.150 nan 0.000 0.451 2257 A N -1.452 121.414 122.820 0.078 0.000 1.969 2257 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 2257 A C 2.254 179.888 177.584 0.084 0.000 1.169 2257 A CA 2.158 54.237 52.037 0.070 0.000 0.635 2257 A CB -1.140 17.874 19.000 0.023 0.000 0.810 2257 A HN 0.484 nan 8.150 nan 0.000 0.445 2258 T N -1.193 113.413 114.554 0.088 0.000 2.746 2258 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 2258 T C 1.705 176.409 174.700 0.007 0.000 1.039 2258 T CA 1.767 63.880 62.100 0.022 0.000 1.142 2258 T CB -0.434 68.417 68.868 -0.028 0.000 0.866 2258 T HN 0.567 nan 8.240 nan 0.000 0.444 2259 Y N 1.465 121.799 120.300 0.057 0.000 2.133 2259 Y HA 0.069 4.619 4.550 -0.000 0.000 0.287 2259 Y C 2.831 178.762 175.900 0.052 0.000 1.134 2259 Y CA 0.767 58.905 58.100 0.063 0.000 1.133 2259 Y CB -0.803 37.707 38.460 0.084 0.000 0.987 2259 Y HN 0.172 nan 8.280 nan 0.000 0.502 2260 A N 0.305 123.256 122.820 0.220 0.000 1.948 2260 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 2260 A C 2.001 179.631 177.584 0.076 0.000 1.177 2260 A CA 2.072 54.187 52.037 0.129 0.000 0.636 2260 A CB -0.700 18.365 19.000 0.109 0.000 0.815 2260 A HN 0.563 nan 8.150 nan 0.000 0.449 2261 E N -0.673 119.565 120.200 0.062 0.000 2.204 2261 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 2261 E C 2.121 178.737 176.600 0.026 0.000 0.990 2261 E CA 1.436 57.855 56.400 0.033 0.000 0.821 2261 E CB -0.360 29.352 29.700 0.021 0.000 0.750 2261 E HN 0.907 nan 8.360 nan 0.000 0.477 2262 T N -2.812 111.761 114.554 0.031 0.000 2.929 2262 T HA -0.040 4.309 4.350 -0.000 0.000 0.271 2262 T C 1.617 176.334 174.700 0.028 0.000 1.085 2262 T CA 1.101 63.218 62.100 0.028 0.000 1.125 2262 T CB 0.093 68.981 68.868 0.033 0.000 0.874 2262 T HN 0.313 nan 8.240 nan 0.000 0.494 2263 G N 0.565 109.382 108.800 0.027 0.000 2.192 2263 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.193 2263 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.193 2263 G C 0.188 175.085 174.900 -0.005 0.000 0.999 2263 G CA -0.017 45.088 45.100 0.008 0.000 0.659 2263 G HN 1.424 nan 8.290 nan 0.000 0.503 2264 V N -1.215 118.707 119.914 0.014 0.000 3.178 2264 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 2264 V C 1.197 177.251 176.094 -0.068 0.000 1.107 2264 V CA 1.062 63.359 62.300 -0.005 0.000 1.195 2264 V CB 0.762 32.609 31.823 0.039 0.000 0.993 2264 V HN 0.196 nan 8.190 nan 0.000 0.493 2265 D N 0.681 120.994 120.400 -0.144 0.000 2.271 2265 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 2265 D C -0.210 175.760 176.300 -0.549 0.000 0.967 2265 D CA 1.555 55.325 54.000 -0.383 0.000 0.867 2265 D CB 0.265 40.759 40.800 -0.511 0.000 0.960 2265 D HN 0.698 nan 8.370 nan 0.000 0.509 2266 Y N -0.753 119.536 120.300 -0.019 0.000 2.625 2266 Y HA 0.449 4.999 4.550 -0.000 0.000 0.338 2266 Y C -0.876 175.012 175.900 -0.020 0.000 1.123 2266 Y CA -1.036 57.047 58.100 -0.028 0.000 1.046 2266 Y CB 1.479 39.902 38.460 -0.062 0.000 1.299 2266 Y HN -0.317 nan 8.280 nan 0.000 0.464 2267 L N 1.879 123.201 121.223 0.164 0.000 2.404 2267 L HA 0.761 5.101 4.340 -0.000 0.000 0.272 2267 L C -0.521 176.333 176.870 -0.027 0.000 0.980 2267 L CA -0.731 54.139 54.840 0.050 0.000 0.836 2267 L CB 1.624 43.724 42.059 0.069 0.000 1.238 2267 L HN 0.750 nan 8.230 nan 0.000 0.408 2268 A N 4.237 127.023 122.820 -0.057 0.000 2.279 2268 A HA 0.682 5.002 4.320 -0.000 0.000 0.306 2268 A C -0.537 176.923 177.584 -0.207 0.000 1.300 2268 A CA -0.394 51.589 52.037 -0.090 0.000 0.925 2268 A CB 0.280 19.268 19.000 -0.019 0.000 1.152 2268 A HN 0.398 nan 8.150 nan 0.000 0.544 2269 V N 3.826 123.546 119.914 -0.324 0.000 2.293 2269 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 2269 V C 1.427 177.280 176.094 -0.401 0.000 1.021 2269 V CA 0.218 62.220 62.300 -0.496 0.000 0.815 2269 V CB 0.739 31.956 31.823 -1.010 0.000 1.025 2269 V HN 1.027 nan 8.190 nan 0.000 0.448 2270 G N 3.505 112.126 108.800 -0.299 0.000 2.408 2270 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 2270 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 2270 G C 1.565 176.026 174.900 -0.731 0.000 1.150 2270 G CA 1.028 45.949 45.100 -0.298 0.000 0.776 2270 G HN 0.841 nan 8.290 nan 0.000 0.542 2271 A N 0.368 122.722 122.820 -0.778 0.000 2.076 2271 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 2271 A C 2.260 179.571 177.584 -0.455 0.000 1.160 2271 A CA 1.189 52.764 52.037 -0.770 0.000 0.653 2271 A CB -0.306 18.541 19.000 -0.256 0.000 0.801 2271 A HN 0.304 nan 8.150 nan 0.000 0.455 2272 L N 0.012 120.982 121.223 -0.421 0.000 2.127 2272 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 2272 L C 2.762 179.506 176.870 -0.212 0.000 1.089 2272 L CA 2.572 57.236 54.840 -0.293 0.000 0.757 2272 L CB -0.847 41.014 42.059 -0.330 0.000 0.899 2272 L HN 0.699 nan 8.230 nan 0.000 0.434 2273 T N -4.793 109.633 114.554 -0.214 0.000 2.999 2273 T HA 0.095 4.445 4.350 -0.000 0.000 0.247 2273 T C 0.659 175.365 174.700 0.011 0.000 1.012 2273 T CA 0.090 62.139 62.100 -0.085 0.000 1.048 2273 T CB -0.337 68.506 68.868 -0.042 0.000 1.020 2273 T HN 0.422 nan 8.240 nan 0.000 0.478 2274 H N 0.884 119.948 119.070 -0.010 0.000 2.508 2274 H HA 0.721 5.276 4.556 -0.000 0.000 0.344 2274 H C 0.194 175.529 175.328 0.011 0.000 1.192 2274 H CA -0.628 55.427 56.048 0.011 0.000 1.290 2274 H CB 0.548 30.308 29.762 -0.003 0.000 1.571 2274 H HN 0.029 nan 8.280 nan 0.000 0.555 2275 S N -0.893 114.987 115.700 0.300 0.000 3.711 2275 S HA -0.146 4.324 4.470 -0.000 0.000 0.374 2275 S C -0.070 174.568 174.600 0.064 0.000 0.969 2275 S CA 0.584 58.898 58.200 0.190 0.000 1.198 2275 S CB -2.151 61.201 63.200 0.254 0.000 0.903 2275 S HN 1.032 nan 8.310 nan 0.000 0.493 2276 V N 0.078 120.021 119.914 0.047 0.000 2.547 2276 V HA 0.738 4.857 4.120 -0.000 0.000 0.299 2276 V C 0.188 176.284 176.094 0.003 0.000 1.040 2276 V CA -1.038 61.247 62.300 -0.025 0.000 0.913 2276 V CB 1.880 33.601 31.823 -0.169 0.000 0.992 2276 V HN 0.453 nan 8.190 nan 0.000 0.449 2277 R N 4.260 124.754 120.500 -0.010 0.000 2.295 2277 R HA 0.545 4.885 4.340 -0.000 0.000 0.324 2277 R C -0.762 175.533 176.300 -0.007 0.000 0.968 2277 R CA -0.553 55.553 56.100 0.009 0.000 0.837 2277 R CB 1.746 32.055 30.300 0.015 0.000 1.133 2277 R HN 0.825 nan 8.270 nan 0.000 0.450 2278 V N 5.478 125.400 119.914 0.015 0.000 2.788 2278 V HA -0.037 4.083 4.120 -0.000 0.000 0.307 2278 V C -0.088 176.011 176.094 0.008 0.000 1.069 2278 V CA 0.032 62.343 62.300 0.018 0.000 1.173 2278 V CB 0.805 32.655 31.823 0.045 0.000 0.925 2278 V HN 0.579 nan 8.190 nan 0.000 0.492 2279 L N 5.891 127.117 121.223 0.004 0.000 2.281 2279 L HA 0.392 4.731 4.340 -0.000 0.000 0.285 2279 L C -0.004 176.873 176.870 0.011 0.000 1.074 2279 L CA 0.112 54.955 54.840 0.004 0.000 0.817 2279 L CB 0.925 42.984 42.059 0.001 0.000 1.168 2279 L HN 0.732 nan 8.230 nan 0.000 0.434 2280 D N 5.722 126.127 120.400 0.010 0.000 2.346 2280 D HA 0.290 4.929 4.640 -0.000 0.000 0.260 2280 D C -0.657 175.648 176.300 0.008 0.000 1.252 2280 D CA 0.412 54.418 54.000 0.010 0.000 0.895 2280 D CB 0.153 40.958 40.800 0.008 0.000 1.097 2280 D HN 0.417 nan 8.370 nan 0.000 0.489 2281 I N 2.425 123.000 120.570 0.009 0.000 2.582 2281 I HA 0.539 4.708 4.170 -0.000 0.000 0.292 2281 I C 0.641 176.761 176.117 0.005 0.000 1.066 2281 I CA -1.020 60.285 61.300 0.007 0.000 1.053 2281 I CB 2.435 40.440 38.000 0.008 0.000 1.241 2281 I HN 0.334 nan 8.210 nan 0.000 0.421 2282 G N 4.260 113.062 108.800 0.002 0.000 2.537 2282 G HA2 0.677 4.637 3.960 -0.000 0.000 0.308 2282 G HA3 0.677 4.637 3.960 -0.000 0.000 0.308 2282 G C -1.845 173.053 174.900 -0.002 0.000 1.237 2282 G CA -0.601 44.499 45.100 0.000 0.000 0.968 2282 G HN 0.398 nan 8.290 nan 0.000 0.481 2283 L N 1.045 122.266 121.223 -0.004 0.000 2.276 2283 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 2283 L C -1.185 175.683 176.870 -0.004 0.000 1.024 2283 L CA -0.759 54.077 54.840 -0.007 0.000 0.826 2283 L CB 1.208 43.259 42.059 -0.012 0.000 1.211 2283 L HN 0.252 nan 8.230 nan 0.000 0.422 2284 D N 6.422 126.820 120.400 -0.003 0.000 2.256 2284 D HA 0.515 5.155 4.640 -0.000 0.000 0.240 2284 D C -0.161 176.139 176.300 0.000 0.000 1.062 2284 D CA 0.047 54.047 54.000 -0.001 0.000 0.832 2284 D CB 1.792 42.592 40.800 0.001 0.000 1.135 2284 D HN 0.519 nan 8.370 nan 0.000 0.484 2285 M N 0.000 119.600 119.600 0.001 0.000 2.572 2285 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 2285 M CA 0.000 55.301 55.300 0.002 0.000 0.988 2285 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2285 M HN 0.000 nan 8.290 nan 0.000 0.411