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 2e49_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.317 176.300 0.029 0.000 1.140 2001 M CA 0.000 55.312 55.300 0.020 0.000 0.988 2001 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2002 R N 2.253 122.759 120.500 0.011 0.000 2.368 2002 R HA 0.802 5.141 4.340 -0.003 0.000 0.302 2002 R C -1.197 175.095 176.300 -0.014 0.000 1.002 2002 R CA -0.350 55.748 56.100 -0.005 0.000 0.929 2002 R CB 1.860 32.144 30.300 -0.027 0.000 1.073 2002 R HN 0.456 nan 8.270 nan 0.000 0.464 2003 V N 2.575 122.467 119.914 -0.036 0.000 2.540 2003 V HA 0.508 4.626 4.120 -0.003 0.000 0.302 2003 V C -0.637 175.372 176.094 -0.141 0.000 1.035 2003 V CA -0.945 61.314 62.300 -0.068 0.000 0.873 2003 V CB 2.082 33.854 31.823 -0.085 0.000 0.992 2003 V HN 0.395 nan 8.190 nan 0.000 0.428 2004 V N 4.904 124.709 119.914 -0.182 0.000 2.376 2004 V HA 0.345 4.463 4.120 -0.003 0.000 0.287 2004 V C -0.164 175.810 176.094 -0.200 0.000 1.015 2004 V CA -0.533 61.586 62.300 -0.302 0.000 0.834 2004 V CB 1.851 33.404 31.823 -0.450 0.000 1.001 2004 V HN 0.664 nan 8.190 nan 0.000 0.428 2005 V N 6.936 126.748 119.914 -0.170 0.000 2.368 2005 V HA 0.381 4.499 4.120 -0.003 0.000 0.266 2005 V C 0.230 176.289 176.094 -0.058 0.000 1.045 2005 V CA -0.181 62.057 62.300 -0.104 0.000 0.899 2005 V CB 1.010 32.766 31.823 -0.111 0.000 1.006 2005 V HN 0.639 nan 8.190 nan 0.000 0.470 2006 I N 4.782 125.352 120.570 -0.001 0.000 2.371 2006 I HA 0.673 4.842 4.170 -0.003 0.000 0.290 2006 I C 0.861 177.002 176.117 0.039 0.000 1.028 2006 I CA 0.018 61.355 61.300 0.061 0.000 1.345 2006 I CB 0.887 38.963 38.000 0.127 0.000 1.407 2006 I HN 0.814 nan 8.210 nan 0.000 0.501 2007 G N 4.492 113.289 108.800 -0.004 0.000 2.907 2007 G HA2 0.146 4.104 3.960 -0.003 0.000 0.686 2007 G HA3 0.146 4.104 3.960 -0.003 0.000 0.686 2007 G C -0.499 174.344 174.900 -0.095 0.000 1.115 2007 G CA -0.331 44.742 45.100 -0.046 0.000 0.760 2007 G HN 1.055 nan 8.290 nan 0.000 0.620 2008 A N 1.529 124.250 122.820 -0.165 0.000 2.956 2008 A HA 0.828 5.146 4.320 -0.003 0.000 0.294 2008 A C 1.133 178.696 177.584 -0.034 0.000 0.993 2008 A CA 1.040 53.002 52.037 -0.126 0.000 1.032 2008 A CB -0.063 18.829 19.000 -0.180 0.000 1.129 2008 A HN 2.177 nan 8.150 nan 0.000 0.505 2009 G N -1.101 107.699 108.800 -0.001 0.000 2.574 2009 G HA2 0.360 4.318 3.960 -0.003 0.000 0.248 2009 G HA3 0.360 4.318 3.960 -0.003 0.000 0.248 2009 G C 0.927 175.847 174.900 0.034 0.000 1.422 2009 G CA 0.432 45.555 45.100 0.038 0.000 1.051 2009 G HN 0.524 nan 8.290 nan 0.000 0.560 2010 V N -0.081 119.856 119.914 0.037 0.000 3.305 2010 V HA 0.018 4.136 4.120 -0.003 0.000 0.269 2010 V C 1.853 177.986 176.094 0.065 0.000 1.157 2010 V CA 0.840 63.163 62.300 0.039 0.000 1.157 2010 V CB -0.618 31.231 31.823 0.044 0.000 0.772 2010 V HN 0.465 nan 8.190 nan 0.000 0.498 2011 I N -0.121 120.459 120.570 0.016 0.000 2.900 2011 I HA 0.206 4.374 4.170 -0.003 0.000 0.251 2011 I C 2.617 178.743 176.117 0.015 0.000 1.102 2011 I CA 1.413 62.707 61.300 -0.011 0.000 1.457 2011 I CB -1.839 36.099 38.000 -0.103 0.000 1.285 2011 I HN 0.299 nan 8.210 nan 0.000 0.459 2012 G N 2.301 111.108 108.800 0.012 0.000 2.631 2012 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.219 2012 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.219 2012 G C 1.749 176.634 174.900 -0.024 0.000 1.214 2012 G CA 1.014 46.107 45.100 -0.012 0.000 0.785 2012 G HN 0.292 nan 8.290 nan 0.000 0.596 2013 L N 1.307 122.521 121.223 -0.015 0.000 2.083 2013 L HA -0.104 4.234 4.340 -0.003 0.000 0.209 2013 L C 3.372 180.258 176.870 0.027 0.000 1.083 2013 L CA 1.589 56.421 54.840 -0.012 0.000 0.752 2013 L CB -0.571 41.494 42.059 0.009 0.000 0.899 2013 L HN 0.504 nan 8.230 nan 0.000 0.433 2014 S N -1.222 114.532 115.700 0.090 0.000 2.368 2014 S HA -0.172 4.296 4.470 -0.003 0.000 0.224 2014 S C 1.945 176.616 174.600 0.119 0.000 1.029 2014 S CA 1.617 59.959 58.200 0.236 0.000 0.988 2014 S CB -0.797 62.709 63.200 0.511 0.000 0.838 2014 S HN 0.344 nan 8.310 nan 0.000 0.462 2015 T N 2.499 117.065 114.554 0.021 0.000 2.833 2015 T HA 0.130 4.478 4.350 -0.003 0.000 0.269 2015 T C 2.153 176.811 174.700 -0.070 0.000 1.054 2015 T CA 1.248 63.309 62.100 -0.065 0.000 1.135 2015 T CB -0.747 68.080 68.868 -0.068 0.000 0.869 2015 T HN 0.637 nan 8.240 nan 0.000 0.466 2016 A N 1.616 124.408 122.820 -0.046 0.000 1.841 2016 A HA 0.022 4.340 4.320 -0.003 0.000 0.214 2016 A C 2.230 179.814 177.584 -0.001 0.000 1.195 2016 A CA 1.258 53.262 52.037 -0.055 0.000 0.611 2016 A CB -0.927 18.034 19.000 -0.065 0.000 0.835 2016 A HN 0.393 nan 8.150 nan 0.000 0.443 2017 L N -0.207 121.034 121.223 0.031 0.000 2.042 2017 L HA -0.181 4.157 4.340 -0.003 0.000 0.210 2017 L C 2.533 179.475 176.870 0.119 0.000 1.076 2017 L CA 2.296 57.172 54.840 0.060 0.000 0.749 2017 L CB -1.120 40.976 42.059 0.061 0.000 0.893 2017 L HN 0.513 nan 8.230 nan 0.000 0.432 2018 C N -0.731 118.625 119.300 0.093 0.000 2.425 2018 C HA -0.115 4.344 4.460 -0.003 0.000 0.277 2018 C C 2.748 177.738 174.990 -0.001 0.000 1.280 2018 C CA 0.820 59.839 59.018 0.002 0.000 1.744 2018 C CB -0.963 26.605 27.740 -0.285 0.000 1.989 2018 C HN 0.626 nan 8.230 nan 0.000 0.491 2019 I N -0.397 120.157 120.570 -0.026 0.000 2.286 2019 I HA -0.158 4.010 4.170 -0.003 0.000 0.245 2019 I C 2.722 178.873 176.117 0.056 0.000 1.104 2019 I CA 1.576 62.845 61.300 -0.052 0.000 1.397 2019 I CB -0.672 37.115 38.000 -0.355 0.000 1.072 2019 I HN 0.511 nan 8.210 nan 0.000 0.417 2020 H N 1.815 120.870 119.070 -0.025 0.000 2.253 2020 H HA -0.232 4.322 4.556 -0.003 0.000 0.296 2020 H C 2.028 177.411 175.328 0.092 0.000 1.074 2020 H CA 2.471 58.537 56.048 0.030 0.000 1.263 2020 H CB -0.278 29.483 29.762 -0.002 0.000 1.363 2020 H HN 0.513 nan 8.280 nan 0.000 0.489 2021 E N 0.484 120.903 120.200 0.365 0.000 2.045 2021 E HA -0.315 4.033 4.350 -0.003 0.000 0.212 2021 E C 2.521 179.182 176.600 0.101 0.000 1.039 2021 E CA 1.815 58.370 56.400 0.259 0.000 0.860 2021 E CB -0.540 29.279 29.700 0.199 0.000 0.776 2021 E HN 0.217 nan 8.360 nan 0.000 0.467 2022 R N -0.316 120.180 120.500 -0.008 0.000 2.159 2022 R HA -0.140 4.198 4.340 -0.003 0.000 0.237 2022 R C 0.861 176.859 176.300 -0.504 0.000 1.131 2022 R CA 1.633 57.558 56.100 -0.291 0.000 0.982 2022 R CB -0.210 29.824 30.300 -0.444 0.000 0.868 2022 R HN 0.492 nan 8.270 nan 0.000 0.453 2023 Y N -2.246 118.094 120.300 0.067 0.000 2.626 2023 Y HA 0.170 4.718 4.550 -0.003 0.000 0.248 2023 Y C 1.216 177.116 175.900 0.000 0.000 1.147 2023 Y CA -0.137 58.003 58.100 0.067 0.000 1.219 2023 Y CB 0.018 38.595 38.460 0.195 0.000 1.279 2023 Y HN 0.185 nan 8.280 nan 0.000 0.541 2024 H N 0.997 120.027 119.070 -0.067 0.000 2.289 2024 H HA -0.181 4.374 4.556 -0.003 0.000 0.296 2024 H C 2.017 177.313 175.328 -0.053 0.000 1.091 2024 H CA 2.362 58.286 56.048 -0.206 0.000 1.274 2024 H CB -0.163 29.415 29.762 -0.306 0.000 1.364 2024 H HN 0.144 nan 8.280 nan 0.000 0.490 2025 S N 0.017 115.484 115.700 -0.388 0.000 2.561 2025 S HA -0.011 4.457 4.470 -0.003 0.000 0.225 2025 S C 1.941 176.437 174.600 -0.174 0.000 0.977 2025 S CA 0.576 58.530 58.200 -0.410 0.000 0.926 2025 S CB -0.409 62.666 63.200 -0.209 0.000 0.769 2025 S HN 0.432 nan 8.310 nan 0.000 0.533 2026 V N -2.313 117.563 119.914 -0.062 0.000 3.125 2026 V HA 0.449 4.568 4.120 -0.003 0.000 0.249 2026 V C 0.241 176.343 176.094 0.013 0.000 1.113 2026 V CA -0.170 62.138 62.300 0.013 0.000 1.106 2026 V CB -0.683 31.206 31.823 0.109 0.000 0.768 2026 V HN 0.286 nan 8.190 nan 0.000 0.468 2027 L N 2.154 123.385 121.223 0.014 0.000 2.272 2027 L HA 0.461 4.799 4.340 -0.003 0.000 0.289 2027 L C 1.321 178.182 176.870 -0.014 0.000 1.032 2027 L CA 0.198 55.046 54.840 0.013 0.000 0.810 2027 L CB 1.627 43.719 42.059 0.054 0.000 1.205 2027 L HN 0.410 nan 8.230 nan 0.000 0.422 2028 Q N 3.472 123.266 119.800 -0.010 0.000 2.245 2028 Q HA 0.069 4.407 4.340 -0.003 0.000 0.201 2028 Q C -1.156 174.856 176.000 0.020 0.000 0.955 2028 Q CA 0.629 56.429 55.803 -0.005 0.000 0.870 2028 Q CB -0.675 28.061 28.738 -0.004 0.000 0.945 2028 Q HN 0.549 nan 8.270 nan 0.000 0.461 2029 P HA 0.243 nan 4.420 nan 0.000 0.270 2029 P C -0.780 176.548 177.300 0.047 0.000 1.754 2029 P CA -0.423 62.699 63.100 0.035 0.000 1.202 2029 P CB 0.078 31.792 31.700 0.024 0.000 1.592 2030 L N 0.887 122.144 121.223 0.057 0.000 2.499 2030 L HA 0.220 4.558 4.340 -0.003 0.000 0.273 2030 L C -0.566 176.346 176.870 0.069 0.000 1.195 2030 L CA 0.645 55.526 54.840 0.068 0.000 0.882 2030 L CB 0.301 42.403 42.059 0.073 0.000 1.133 2030 L HN -0.055 nan 8.230 nan 0.000 0.483 2031 D N 4.778 125.214 120.400 0.059 0.000 2.602 2031 D HA 0.366 5.005 4.640 -0.003 0.000 0.245 2031 D C -0.959 175.367 176.300 0.042 0.000 1.325 2031 D CA -0.459 53.579 54.000 0.063 0.000 0.952 2031 D CB 0.976 41.810 40.800 0.056 0.000 1.317 2031 D HN 0.272 nan 8.370 nan 0.000 0.577 2032 I N 2.749 123.356 120.570 0.063 0.000 2.488 2032 I HA 0.426 4.595 4.170 -0.003 0.000 0.299 2032 I C -0.117 176.040 176.117 0.067 0.000 0.984 2032 I CA -0.683 60.635 61.300 0.029 0.000 1.250 2032 I CB 1.552 39.573 38.000 0.035 0.000 1.389 2032 I HN 0.364 nan 8.210 nan 0.000 0.488 2033 K N 4.542 124.949 120.400 0.012 0.000 2.652 2033 K HA 0.455 4.774 4.320 -0.003 0.000 0.249 2033 K C -1.310 175.292 176.600 0.003 0.000 0.986 2033 K CA -0.550 55.803 56.287 0.110 0.000 0.867 2033 K CB 2.574 35.118 32.500 0.074 0.000 1.201 2033 K HN 0.245 nan 8.250 nan 0.000 0.450 2034 V N 3.953 123.883 119.914 0.027 0.000 2.406 2034 V HA 0.232 4.350 4.120 -0.003 0.000 0.272 2034 V C -0.669 175.592 176.094 0.278 0.000 1.043 2034 V CA -0.425 61.831 62.300 -0.073 0.000 0.915 2034 V CB -0.041 31.503 31.823 -0.465 0.000 0.988 2034 V HN 0.529 nan 8.190 nan 0.000 0.466 2035 Y N 3.138 123.459 120.300 0.035 0.000 2.341 2035 Y HA 0.796 5.345 4.550 -0.001 0.000 0.337 2035 Y C 0.347 176.225 175.900 -0.037 0.000 1.014 2035 Y CA -1.337 56.815 58.100 0.086 0.000 1.111 2035 Y CB 1.831 40.324 38.460 0.054 0.000 1.194 2035 Y HN 0.732 nan 8.280 nan 0.000 0.462 2036 A N 2.304 125.144 122.820 0.033 0.000 2.589 2036 A HA 0.413 4.731 4.320 -0.003 0.000 0.296 2036 A C 0.026 177.428 177.584 -0.304 0.000 1.062 2036 A CA -0.568 51.294 52.037 -0.291 0.000 0.686 2036 A CB 1.264 19.802 19.000 -0.771 0.000 1.282 2036 A HN 0.562 nan 8.150 nan 0.000 0.404 2037 D N 0.279 120.510 120.400 -0.281 0.000 2.213 2037 D HA 0.062 4.700 4.640 -0.003 0.000 0.205 2037 D C 0.473 176.642 176.300 -0.218 0.000 0.961 2037 D CA 1.304 55.176 54.000 -0.214 0.000 0.853 2037 D CB 0.237 40.892 40.800 -0.240 0.000 0.967 2037 D HN 0.568 nan 8.370 nan 0.000 0.496 2038 R N -0.886 119.417 120.500 -0.329 0.000 2.673 2038 R HA 0.490 4.828 4.340 -0.003 0.000 0.281 2038 R C -0.964 175.140 176.300 -0.327 0.000 0.991 2038 R CA -0.712 55.264 56.100 -0.208 0.000 0.896 2038 R CB 1.596 31.808 30.300 -0.147 0.000 1.201 2038 R HN -0.098 nan 8.270 nan 0.000 0.457 2039 F N -0.417 119.547 119.950 0.024 0.000 2.629 2039 F HA 0.291 4.816 4.527 -0.003 0.000 0.386 2039 F C 1.904 177.734 175.800 0.051 0.000 1.135 2039 F CA -0.063 57.969 58.000 0.054 0.000 1.116 2039 F CB 0.712 39.757 39.000 0.076 0.000 1.426 2039 F HN 0.783 nan 8.300 nan 0.000 0.501 2040 T N -1.099 113.648 114.554 0.322 0.000 2.418 2040 T HA -0.305 4.043 4.350 -0.003 0.000 0.207 2040 T C -1.058 173.716 174.700 0.124 0.000 1.485 2040 T CA 2.303 64.513 62.100 0.182 0.000 1.014 2040 T CB -2.645 66.304 68.868 0.135 0.000 0.785 2040 T HN 0.410 nan 8.240 nan 0.000 0.470 2041 P HA 0.310 nan 4.420 nan 0.000 0.230 2041 P C 1.500 178.842 177.300 0.071 0.000 1.168 2041 P CA 0.556 63.702 63.100 0.076 0.000 0.793 2041 P CB -0.172 31.565 31.700 0.062 0.000 0.851 2042 L N -1.801 119.468 121.223 0.076 0.000 2.616 2042 L HA 0.183 4.522 4.340 -0.003 0.000 0.229 2042 L C 1.163 178.078 176.870 0.075 0.000 1.110 2042 L CA 0.063 54.940 54.840 0.061 0.000 0.884 2042 L CB -1.104 40.981 42.059 0.043 0.000 1.115 2042 L HN -0.010 nan 8.230 nan 0.000 0.481 2043 T N -3.599 111.005 114.554 0.083 0.000 2.766 2043 T HA 0.041 4.389 4.350 -0.003 0.000 0.295 2043 T C 1.256 176.042 174.700 0.144 0.000 1.024 2043 T CA -0.063 62.113 62.100 0.126 0.000 1.018 2043 T CB 1.177 70.104 68.868 0.098 0.000 1.002 2043 T HN -0.068 nan 8.240 nan 0.000 0.532 2044 T N 1.079 115.748 114.554 0.193 0.000 2.788 2044 T HA -0.085 4.264 4.350 -0.003 0.000 0.268 2044 T C 2.167 176.896 174.700 0.050 0.000 1.044 2044 T CA 1.833 63.991 62.100 0.097 0.000 1.139 2044 T CB -0.932 67.977 68.868 0.069 0.000 0.867 2044 T HN 0.832 nan 8.240 nan 0.000 0.454 2045 T N 2.246 116.839 114.554 0.066 0.000 2.721 2045 T HA -0.164 4.184 4.350 -0.003 0.000 0.268 2045 T C 1.578 176.305 174.700 0.046 0.000 1.038 2045 T CA 1.335 63.465 62.100 0.050 0.000 1.145 2045 T CB -0.404 68.503 68.868 0.065 0.000 0.858 2045 T HN 0.499 nan 8.240 nan 0.000 0.459 2046 D N 0.671 121.103 120.400 0.054 0.000 2.178 2046 D HA -0.041 4.598 4.640 -0.003 0.000 0.202 2046 D C 2.137 178.455 176.300 0.029 0.000 0.974 2046 D CA 0.732 54.761 54.000 0.048 0.000 0.841 2046 D CB -0.080 40.752 40.800 0.054 0.000 0.953 2046 D HN 0.282 nan 8.370 nan 0.000 0.478 2047 V N 1.615 121.536 119.914 0.012 0.000 2.548 2047 V HA -0.076 4.042 4.120 -0.003 0.000 0.249 2047 V C 1.336 177.427 176.094 -0.004 0.000 1.055 2047 V CA 0.597 62.892 62.300 -0.008 0.000 1.065 2047 V CB -0.579 31.217 31.823 -0.045 0.000 0.681 2047 V HN 0.119 nan 8.190 nan 0.000 0.462 2048 A N 0.161 122.977 122.820 -0.006 0.000 2.492 2048 A HA 0.506 4.824 4.320 -0.003 0.000 0.254 2048 A C 1.634 179.214 177.584 -0.007 0.000 1.091 2048 A CA 0.524 52.550 52.037 -0.018 0.000 0.768 2048 A CB 0.383 19.370 19.000 -0.020 0.000 1.028 2048 A HN 0.466 nan 8.150 nan 0.000 0.498 2049 A N 2.591 125.402 122.820 -0.015 0.000 1.902 2049 A HA 0.324 4.642 4.320 -0.003 0.000 0.217 2049 A C 1.956 179.518 177.584 -0.036 0.000 1.181 2049 A CA 1.784 53.816 52.037 -0.007 0.000 0.623 2049 A CB -0.880 18.118 19.000 -0.003 0.000 0.818 2049 A HN 2.683 nan 8.150 nan 0.000 0.443 2050 G N -2.140 106.614 108.800 -0.076 0.000 2.130 2050 G HA2 -0.062 3.896 3.960 -0.003 0.000 0.216 2050 G HA3 -0.062 3.896 3.960 -0.003 0.000 0.216 2050 G C -0.023 174.798 174.900 -0.131 0.000 0.999 2050 G CA 0.147 45.195 45.100 -0.087 0.000 0.686 2050 G HN 1.290 nan 8.290 nan 0.000 0.515 2051 L N 0.410 121.532 121.223 -0.168 0.000 2.360 2051 L HA 0.720 5.058 4.340 -0.003 0.000 0.276 2051 L C 0.412 177.200 176.870 -0.137 0.000 1.121 2051 L CA -1.601 53.109 54.840 -0.216 0.000 0.845 2051 L CB 0.411 42.270 42.059 -0.334 0.000 1.143 2051 L HN 0.241 nan 8.230 nan 0.000 0.452 2052 W N 7.279 128.430 121.300 -0.247 0.000 2.345 2052 W HA 0.476 5.135 4.660 -0.003 0.000 0.308 2052 W C -0.389 176.007 176.519 -0.205 0.000 1.273 2052 W CA -0.037 57.220 57.345 -0.147 0.000 1.243 2052 W CB 0.242 29.660 29.460 -0.069 0.000 1.260 2052 W HN 0.729 nan 8.180 nan 0.000 0.509 2053 Q N 7.107 126.382 119.800 -0.874 0.000 2.942 2053 Q HA 0.139 4.477 4.340 -0.003 0.000 0.207 2053 Q C -2.622 172.828 176.000 -0.918 0.000 0.819 2053 Q CA -1.204 53.949 55.803 -1.082 0.000 1.231 2053 Q CB 1.075 29.490 28.738 -0.538 0.000 1.639 2053 Q HN 0.200 nan 8.270 nan 0.000 0.591 2054 P HA 0.065 nan 4.420 nan 0.000 0.272 2054 P C -0.681 176.527 177.300 -0.153 0.000 1.240 2054 P CA -0.176 62.524 63.100 -0.666 0.000 0.791 2054 P CB 0.360 31.654 31.700 -0.675 0.000 0.978 2055 Y N -0.229 119.917 120.300 -0.258 0.000 2.554 2055 Y HA -0.060 4.488 4.550 -0.003 0.000 0.353 2055 Y C 1.989 177.982 175.900 0.156 0.000 1.269 2055 Y CA -0.084 57.982 58.100 -0.056 0.000 1.494 2055 Y CB -0.834 37.549 38.460 -0.129 0.000 1.365 2055 Y HN 0.240 nan 8.280 nan 0.000 0.664 2056 L N 0.490 121.882 121.223 0.282 0.000 1.925 2056 L HA -0.100 4.239 4.340 -0.003 0.000 0.214 2056 L C 1.059 178.008 176.870 0.132 0.000 1.091 2056 L CA 1.255 56.252 54.840 0.262 0.000 0.768 2056 L CB -1.126 41.050 42.059 0.195 0.000 0.887 2056 L HN 0.606 nan 8.230 nan 0.000 0.433 2057 S N 1.137 116.883 115.700 0.077 0.000 2.498 2057 S HA 0.011 4.479 4.470 -0.003 0.000 0.281 2057 S C -0.138 174.480 174.600 0.030 0.000 1.265 2057 S CA -0.978 57.236 58.200 0.023 0.000 1.071 2057 S CB -0.319 62.889 63.200 0.013 0.000 0.894 2057 S HN 0.342 nan 8.310 nan 0.000 0.491 2058 D N 3.379 123.770 120.400 -0.014 0.000 2.586 2058 D HA 0.072 4.711 4.640 -0.003 0.000 0.234 2058 D C -2.199 174.077 176.300 -0.040 0.000 1.132 2058 D CA -0.686 53.293 54.000 -0.034 0.000 0.860 2058 D CB -0.430 40.333 40.800 -0.061 0.000 1.159 2058 D HN 0.324 nan 8.370 nan 0.000 0.490 2059 P HA 0.008 nan 4.420 nan 0.000 0.274 2059 P C 1.162 178.427 177.300 -0.057 0.000 1.246 2059 P CA -0.618 62.446 63.100 -0.061 0.000 0.795 2059 P CB 0.516 32.148 31.700 -0.113 0.000 1.006 2060 N N 0.840 119.518 118.700 -0.036 0.000 2.096 2060 N HA -0.230 4.509 4.740 -0.003 0.000 0.195 2060 N C 0.386 175.860 175.510 -0.061 0.000 1.017 2060 N CA 1.473 54.500 53.050 -0.038 0.000 0.870 2060 N CB -1.242 37.232 38.487 -0.021 0.000 1.024 2060 N HN 0.340 nan 8.380 nan 0.000 0.434 2061 N N 2.071 120.728 118.700 -0.071 0.000 2.415 2061 N HA 0.134 4.872 4.740 -0.003 0.000 0.246 2061 N C -1.747 173.656 175.510 -0.179 0.000 1.078 2061 N CA -1.623 51.358 53.050 -0.116 0.000 0.942 2061 N CB 1.256 39.685 38.487 -0.097 0.000 1.140 2061 N HN 0.131 nan 8.380 nan 0.000 0.501 2062 P HA -0.054 nan 4.420 nan 0.000 0.233 2062 P C 0.633 177.756 177.300 -0.295 0.000 1.167 2062 P CA 0.827 63.813 63.100 -0.190 0.000 0.770 2062 P CB 0.557 32.171 31.700 -0.144 0.000 0.837 2063 Q N 0.286 119.812 119.800 -0.456 0.000 2.224 2063 Q HA -0.133 4.205 4.340 -0.003 0.000 0.203 2063 Q C 2.000 177.335 176.000 -1.109 0.000 0.970 2063 Q CA 1.095 56.422 55.803 -0.794 0.000 0.865 2063 Q CB -0.245 27.870 28.738 -1.038 0.000 0.922 2063 Q HN 0.478 nan 8.270 nan 0.000 0.445 2064 E N 0.714 120.470 120.200 -0.741 0.000 2.106 2064 E HA -0.173 4.175 4.350 -0.003 0.000 0.192 2064 E C 2.037 178.594 176.600 -0.071 0.000 0.984 2064 E CA 0.783 57.045 56.400 -0.230 0.000 0.806 2064 E CB -0.134 29.574 29.700 0.014 0.000 0.750 2064 E HN 0.340 nan 8.360 nan 0.000 0.458 2065 A N 2.194 124.932 122.820 -0.137 0.000 1.892 2065 A HA -0.259 4.059 4.320 -0.003 0.000 0.218 2065 A C 1.768 179.360 177.584 0.014 0.000 1.188 2065 A CA 2.002 54.014 52.037 -0.041 0.000 0.631 2065 A CB -0.417 18.544 19.000 -0.065 0.000 0.822 2065 A HN 0.141 nan 8.150 nan 0.000 0.447 2066 D N -1.594 118.750 120.400 -0.093 0.000 2.234 2066 D HA -0.110 4.528 4.640 -0.003 0.000 0.205 2066 D C 1.613 178.001 176.300 0.147 0.000 0.962 2066 D CA 0.639 54.628 54.000 -0.019 0.000 0.855 2066 D CB -0.256 40.476 40.800 -0.113 0.000 0.951 2066 D HN 0.700 nan 8.370 nan 0.000 0.500 2067 W N 1.562 122.920 121.300 0.097 0.000 2.467 2067 W HA 0.031 4.690 4.660 -0.002 0.000 0.275 2067 W C 2.344 178.977 176.519 0.189 0.000 1.239 2067 W CA 0.170 57.582 57.345 0.112 0.000 1.266 2067 W CB -0.938 28.580 29.460 0.097 0.000 1.112 2067 W HN -0.079 nan 8.180 nan 0.000 0.576 2068 S N -0.224 115.732 115.700 0.427 0.000 2.377 2068 S HA -0.191 4.277 4.470 -0.003 0.000 0.223 2068 S C 1.736 176.714 174.600 0.630 0.000 1.030 2068 S CA 1.262 59.752 58.200 0.484 0.000 0.970 2068 S CB -0.408 62.963 63.200 0.286 0.000 0.830 2068 S HN 0.308 nan 8.310 nan 0.000 0.473 2069 Q N 1.395 121.459 119.800 0.439 0.000 2.030 2069 Q HA -0.194 4.144 4.340 -0.003 0.000 0.204 2069 Q C 2.204 178.396 176.000 0.320 0.000 0.986 2069 Q CA 1.563 57.563 55.803 0.329 0.000 0.843 2069 Q CB -0.217 28.637 28.738 0.194 0.000 0.904 2069 Q HN 0.538 nan 8.270 nan 0.000 0.420 2070 Q N -0.683 119.303 119.800 0.312 0.000 2.173 2070 Q HA -0.200 4.139 4.340 -0.003 0.000 0.208 2070 Q C 2.067 178.314 176.000 0.412 0.000 0.989 2070 Q CA 2.039 58.032 55.803 0.318 0.000 0.872 2070 Q CB -0.117 28.792 28.738 0.285 0.000 0.909 2070 Q HN 0.484 nan 8.270 nan 0.000 0.420 2071 T N 0.529 115.350 114.554 0.445 0.000 2.701 2071 T HA -0.159 4.189 4.350 -0.003 0.000 0.263 2071 T C 1.390 176.282 174.700 0.320 0.000 1.040 2071 T CA 1.149 63.524 62.100 0.458 0.000 1.147 2071 T CB -0.552 68.598 68.868 0.470 0.000 0.865 2071 T HN 0.243 nan 8.240 nan 0.000 0.426 2072 F N 2.144 122.128 119.950 0.055 0.000 2.065 2072 F HA -0.225 4.300 4.527 -0.003 0.000 0.298 2072 F C 2.067 177.791 175.800 -0.127 0.000 1.112 2072 F CA 1.781 59.596 58.000 -0.307 0.000 1.212 2072 F CB -0.328 38.245 39.000 -0.712 0.000 0.975 2072 F HN 0.097 nan 8.300 nan 0.000 0.476 2073 D N -1.202 119.370 120.400 0.287 0.000 2.149 2073 D HA -0.290 4.348 4.640 -0.003 0.000 0.194 2073 D C 1.787 178.198 176.300 0.184 0.000 1.001 2073 D CA 1.925 56.058 54.000 0.221 0.000 0.849 2073 D CB -0.652 40.272 40.800 0.207 0.000 0.939 2073 D HN 0.512 nan 8.370 nan 0.000 0.449 2074 Y N 0.895 121.242 120.300 0.078 0.000 2.153 2074 Y HA -0.068 4.481 4.550 -0.003 0.000 0.289 2074 Y C 1.998 177.854 175.900 -0.073 0.000 1.127 2074 Y CA 1.228 59.340 58.100 0.020 0.000 1.131 2074 Y CB -0.464 37.940 38.460 -0.094 0.000 0.995 2074 Y HN -0.080 nan 8.280 nan 0.000 0.505 2075 L N -0.168 120.879 121.223 -0.293 0.000 2.079 2075 L HA -0.220 4.119 4.340 -0.003 0.000 0.210 2075 L C 2.448 179.066 176.870 -0.421 0.000 1.081 2075 L CA 1.275 55.816 54.840 -0.499 0.000 0.752 2075 L CB -0.751 41.049 42.059 -0.431 0.000 0.896 2075 L HN 0.377 nan 8.230 nan 0.000 0.433 2076 L N 0.042 121.045 121.223 -0.366 0.000 2.093 2076 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 2076 L C 2.602 179.371 176.870 -0.169 0.000 1.085 2076 L CA 2.045 56.723 54.840 -0.270 0.000 0.755 2076 L CB -0.633 41.352 42.059 -0.125 0.000 0.904 2076 L HN 0.315 nan 8.230 nan 0.000 0.435 2077 S N -2.486 113.153 115.700 -0.102 0.000 2.660 2077 S HA -0.076 4.393 4.470 -0.003 0.000 0.228 2077 S C 0.907 175.319 174.600 -0.312 0.000 0.966 2077 S CA 0.756 58.880 58.200 -0.127 0.000 0.940 2077 S CB -0.747 62.438 63.200 -0.024 0.000 0.773 2077 S HN 0.699 nan 8.310 nan 0.000 0.535 2078 H N -1.386 117.503 119.070 -0.303 0.000 3.367 2078 H HA 0.370 4.924 4.556 -0.003 0.000 0.257 2078 H C 1.394 176.575 175.328 -0.244 0.000 1.201 2078 H CA 0.045 55.911 56.048 -0.303 0.000 1.102 2078 H CB 0.443 29.910 29.762 -0.492 0.000 1.656 2078 H HN 0.250 nan 8.280 nan 0.000 0.662 2079 V N 0.312 120.147 119.914 -0.132 0.000 2.568 2079 V HA -0.271 3.847 4.120 -0.003 0.000 0.253 2079 V C 1.577 177.735 176.094 0.108 0.000 1.072 2079 V CA 2.191 64.446 62.300 -0.076 0.000 1.084 2079 V CB -0.126 31.628 31.823 -0.115 0.000 0.676 2079 V HN 0.509 nan 8.190 nan 0.000 0.469 2080 H N 0.038 119.042 119.070 -0.109 0.000 2.604 2080 H HA 0.307 4.861 4.556 -0.003 0.000 0.273 2080 H C 1.605 176.882 175.328 -0.085 0.000 0.971 2080 H CA 0.287 56.284 56.048 -0.084 0.000 1.249 2080 H CB -0.355 29.364 29.762 -0.072 0.000 1.449 2080 H HN 0.622 nan 8.280 nan 0.000 0.512 2081 S N 2.346 118.052 115.700 0.011 0.000 2.550 2081 S HA -0.054 4.415 4.470 -0.003 0.000 0.285 2081 S C -1.307 173.273 174.600 -0.033 0.000 1.326 2081 S CA -0.506 57.678 58.200 -0.027 0.000 1.037 2081 S CB 0.780 63.955 63.200 -0.042 0.000 0.838 2081 S HN 0.213 nan 8.310 nan 0.000 0.519 2082 P HA -0.113 nan 4.420 nan 0.000 0.223 2082 P C 0.446 177.727 177.300 -0.031 0.000 1.144 2082 P CA 1.094 64.179 63.100 -0.024 0.000 0.783 2082 P CB -0.257 31.441 31.700 -0.002 0.000 0.771 2083 N N -0.853 117.819 118.700 -0.046 0.000 2.214 2083 N HA 0.150 4.888 4.740 -0.003 0.000 0.214 2083 N C 1.388 176.779 175.510 -0.198 0.000 1.132 2083 N CA 0.134 53.131 53.050 -0.088 0.000 0.856 2083 N CB -0.303 38.156 38.487 -0.047 0.000 1.020 2083 N HN -0.046 nan 8.380 nan 0.000 0.509 2084 A N 1.493 124.221 122.820 -0.155 0.000 1.986 2084 A HA -0.207 4.112 4.320 -0.003 0.000 0.220 2084 A C 2.104 179.607 177.584 -0.135 0.000 1.171 2084 A CA 1.404 53.341 52.037 -0.166 0.000 0.640 2084 A CB -0.432 18.513 19.000 -0.092 0.000 0.811 2084 A HN 0.432 nan 8.150 nan 0.000 0.451 2085 E N -0.488 119.654 120.200 -0.098 0.000 2.122 2085 E HA -0.125 4.223 4.350 -0.003 0.000 0.190 2085 E C 1.410 177.976 176.600 -0.056 0.000 0.977 2085 E CA 0.661 57.023 56.400 -0.063 0.000 0.820 2085 E CB -0.113 29.555 29.700 -0.053 0.000 0.770 2085 E HN 0.549 nan 8.360 nan 0.000 0.462 2086 N N 1.057 119.715 118.700 -0.070 0.000 2.188 2086 N HA -0.129 4.610 4.740 -0.003 0.000 0.184 2086 N C 1.949 177.417 175.510 -0.069 0.000 1.018 2086 N CA 0.506 53.542 53.050 -0.024 0.000 0.858 2086 N CB -0.237 38.276 38.487 0.045 0.000 0.989 2086 N HN 0.183 nan 8.380 nan 0.000 0.426 2087 L N 0.301 121.351 121.223 -0.289 0.000 2.201 2087 L HA -0.014 4.325 4.340 -0.003 0.000 0.212 2087 L C 0.928 177.739 176.870 -0.098 0.000 1.105 2087 L CA 1.017 55.654 54.840 -0.338 0.000 0.775 2087 L CB -0.389 41.305 42.059 -0.609 0.000 0.913 2087 L HN 0.349 nan 8.230 nan 0.000 0.440 2088 G N -0.028 108.734 108.800 -0.064 0.000 2.198 2088 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.257 2088 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.257 2088 G C 0.007 174.939 174.900 0.053 0.000 1.042 2088 G CA 0.390 45.504 45.100 0.023 0.000 0.791 2088 G HN 0.269 nan 8.290 nan 0.000 0.502 2089 L N 0.591 121.797 121.223 -0.028 0.000 2.296 2089 L HA 0.919 5.258 4.340 -0.003 0.000 0.286 2089 L C -0.262 176.639 176.870 0.052 0.000 1.023 2089 L CA -0.924 53.856 54.840 -0.101 0.000 0.812 2089 L CB 0.829 42.724 42.059 -0.274 0.000 1.223 2089 L HN 0.432 nan 8.230 nan 0.000 0.421 2090 F N 3.408 123.277 119.950 -0.134 0.000 2.664 2090 F HA 0.628 5.154 4.527 -0.003 0.000 0.317 2090 F C -1.559 174.192 175.800 -0.082 0.000 1.108 2090 F CA -1.370 56.576 58.000 -0.091 0.000 0.957 2090 F CB 1.008 39.973 39.000 -0.059 0.000 1.365 2090 F HN 0.330 nan 8.300 nan 0.000 0.475 2091 L N 2.704 123.988 121.223 0.100 0.000 2.375 2091 L HA 0.699 5.037 4.340 -0.003 0.000 0.271 2091 L C -0.744 176.196 176.870 0.116 0.000 1.107 2091 L CA -0.467 54.384 54.840 0.019 0.000 0.806 2091 L CB 1.274 43.373 42.059 0.068 0.000 1.146 2091 L HN 0.768 nan 8.230 nan 0.000 0.447 2092 I N 2.287 122.890 120.570 0.055 0.000 2.710 2092 I HA 0.378 4.546 4.170 -0.003 0.000 0.290 2092 I C -1.158 175.062 176.117 0.170 0.000 1.318 2092 I CA 0.093 61.486 61.300 0.154 0.000 1.045 2092 I CB 1.855 39.962 38.000 0.178 0.000 1.307 2092 I HN 0.582 nan 8.210 nan 0.000 0.424 2093 S N 4.017 119.727 115.700 0.017 0.000 2.664 2093 S HA 1.047 5.515 4.470 -0.003 0.000 0.304 2093 S C -0.135 173.821 174.600 -1.072 0.000 1.099 2093 S CA -0.182 57.770 58.200 -0.414 0.000 1.003 2093 S CB 1.886 64.841 63.200 -0.408 0.000 1.092 2093 S HN 1.070 nan 8.310 nan 0.000 0.525 2094 G N -0.015 107.499 108.800 -2.143 0.000 2.321 2094 G HA2 0.450 4.408 3.960 -0.003 0.000 0.296 2094 G HA3 0.450 4.408 3.960 -0.003 0.000 0.296 2094 G C -2.367 171.422 174.900 -1.850 0.000 1.287 2094 G CA -0.790 42.873 45.100 -2.395 0.000 0.846 2094 G HN 0.488 nan 8.290 nan 0.000 0.508 2095 Y N 0.212 120.100 120.300 -0.686 0.000 2.419 2095 Y HA 0.633 5.181 4.550 -0.003 0.000 0.328 2095 Y C 0.535 176.468 175.900 0.055 0.000 1.162 2095 Y CA -0.882 57.109 58.100 -0.181 0.000 1.174 2095 Y CB 1.831 40.182 38.460 -0.182 0.000 1.228 2095 Y HN 0.273 nan 8.280 nan 0.000 0.473 2096 N N 2.883 121.756 118.700 0.287 0.000 2.524 2096 N HA 0.402 5.140 4.740 -0.003 0.000 0.261 2096 N C -1.533 173.792 175.510 -0.308 0.000 0.998 2096 N CA -0.282 52.873 53.050 0.175 0.000 0.915 2096 N CB 1.207 40.094 38.487 0.667 0.000 1.187 2096 N HN 0.560 nan 8.380 nan 0.000 0.507 2097 L N 2.205 123.078 121.223 -0.584 0.000 2.352 2097 L HA 0.675 5.014 4.340 -0.003 0.000 0.269 2097 L C -0.649 175.751 176.870 -0.785 0.000 1.034 2097 L CA -0.613 53.826 54.840 -0.669 0.000 0.806 2097 L CB 0.797 42.264 42.059 -0.986 0.000 1.244 2097 L HN 0.289 nan 8.230 nan 0.000 0.447 2098 F N -1.527 118.469 119.950 0.077 0.000 2.645 2098 F HA 0.350 4.875 4.527 -0.003 0.000 0.310 2098 F C 0.797 176.694 175.800 0.162 0.000 1.102 2098 F CA -0.717 57.383 58.000 0.167 0.000 0.952 2098 F CB 1.302 40.352 39.000 0.082 0.000 1.326 2098 F HN 0.377 nan 8.300 nan 0.000 0.456 2099 H N -0.213 119.060 119.070 0.339 0.000 2.497 2099 H HA 0.198 4.752 4.556 -0.003 0.000 0.282 2099 H C -0.251 175.156 175.328 0.133 0.000 1.003 2099 H CA 0.950 57.068 56.048 0.115 0.000 1.307 2099 H CB 0.672 30.429 29.762 -0.008 0.000 1.437 2099 H HN 0.466 nan 8.280 nan 0.000 0.544 2100 E N -0.154 120.212 120.200 0.278 0.000 2.392 2100 E HA 0.508 4.857 4.350 -0.003 0.000 0.269 2100 E C -0.400 176.188 176.600 -0.019 0.000 0.924 2100 E CA -1.097 55.364 56.400 0.103 0.000 0.784 2100 E CB 1.823 31.545 29.700 0.037 0.000 1.292 2100 E HN 0.067 nan 8.360 nan 0.000 0.447 2101 A N 0.972 123.624 122.820 -0.278 0.000 2.555 2101 A HA 0.314 4.632 4.320 -0.003 0.000 0.233 2101 A C -0.192 177.166 177.584 -0.377 0.000 1.060 2101 A CA 0.398 52.020 52.037 -0.691 0.000 0.759 2101 A CB -0.112 18.567 19.000 -0.535 0.000 0.995 2101 A HN 0.433 nan 8.150 nan 0.000 0.506 2102 I N 2.693 123.069 120.570 -0.323 0.000 2.710 2102 I HA 0.400 4.568 4.170 -0.003 0.000 0.290 2102 I C -2.305 173.835 176.117 0.039 0.000 1.318 2102 I CA -1.506 59.695 61.300 -0.164 0.000 1.045 2102 I CB 2.252 40.007 38.000 -0.409 0.000 1.307 2102 I HN 0.577 nan 8.210 nan 0.000 0.424 2103 P HA 0.069 nan 4.420 nan 0.000 0.269 2103 P C -0.904 176.418 177.300 0.036 0.000 1.205 2103 P CA -0.010 63.098 63.100 0.014 0.000 0.780 2103 P CB 0.373 32.043 31.700 -0.049 0.000 0.858 2104 D N 1.708 122.060 120.400 -0.080 0.000 2.423 2104 D HA 0.152 4.790 4.640 -0.003 0.000 0.238 2104 D C -1.923 173.997 176.300 -0.634 0.000 1.142 2104 D CA -0.645 53.140 54.000 -0.360 0.000 0.884 2104 D CB -0.840 39.723 40.800 -0.394 0.000 1.199 2104 D HN 0.225 nan 8.370 nan 0.000 0.438 2105 P HA -0.000 nan 4.420 nan 0.000 0.269 2105 P C 0.638 177.220 177.300 -1.197 0.000 1.209 2105 P CA -0.108 62.120 63.100 -1.452 0.000 0.776 2105 P CB 0.693 30.698 31.700 -2.825 0.000 0.876 2106 S N 2.535 117.726 115.700 -0.848 0.000 2.399 2106 S HA -0.097 4.371 4.470 -0.003 0.000 0.231 2106 S C 1.010 175.363 174.600 -0.411 0.000 1.022 2106 S CA 0.686 58.599 58.200 -0.477 0.000 0.983 2106 S CB -0.623 62.454 63.200 -0.205 0.000 0.803 2106 S HN 0.627 nan 8.310 nan 0.000 0.480 2107 W N 2.744 123.874 121.300 -0.283 0.000 3.438 2107 W HA 0.275 4.934 4.660 -0.002 0.000 0.322 2107 W C 1.234 177.529 176.519 -0.374 0.000 1.261 2107 W CA 0.098 57.320 57.345 -0.206 0.000 1.788 2107 W CB -0.953 28.519 29.460 0.019 0.000 1.065 2107 W HN 0.508 nan 8.180 nan 0.000 0.715 2108 K N 1.271 121.212 120.400 -0.764 0.000 2.127 2108 K HA -0.230 4.088 4.320 -0.003 0.000 0.208 2108 K C 0.593 176.965 176.600 -0.380 0.000 1.047 2108 K CA 2.033 57.731 56.287 -0.982 0.000 0.927 2108 K CB -0.462 31.326 32.500 -1.188 0.000 0.716 2108 K HN -0.046 nan 8.250 nan 0.000 0.450 2109 D N 0.309 120.562 120.400 -0.245 0.000 2.388 2109 D HA 0.070 4.708 4.640 -0.003 0.000 0.221 2109 D C 0.418 176.632 176.300 -0.143 0.000 1.133 2109 D CA 0.267 54.184 54.000 -0.138 0.000 0.831 2109 D CB 1.017 41.749 40.800 -0.114 0.000 0.962 2109 D HN 0.338 nan 8.370 nan 0.000 0.502 2110 T N -0.508 113.939 114.554 -0.178 0.000 3.044 2110 T HA 0.046 4.395 4.350 -0.003 0.000 0.237 2110 T C 1.285 175.504 174.700 -0.802 0.000 1.001 2110 T CA 0.004 61.884 62.100 -0.367 0.000 1.160 2110 T CB 0.247 68.997 68.868 -0.198 0.000 0.889 2110 T HN 0.067 nan 8.240 nan 0.000 0.442 2111 V N 1.605 121.196 119.914 -0.538 0.000 2.963 2111 V HA 0.338 4.456 4.120 -0.003 0.000 0.306 2111 V C 0.228 176.256 176.094 -0.109 0.000 1.077 2111 V CA -1.303 60.751 62.300 -0.411 0.000 1.124 2111 V CB -0.189 31.775 31.823 0.235 0.000 0.987 2111 V HN 0.088 nan 8.190 nan 0.000 0.487 2112 L N 3.898 125.159 121.223 0.063 0.000 2.455 2112 L HA 0.394 4.732 4.340 -0.003 0.000 0.272 2112 L C 1.349 178.328 176.870 0.182 0.000 1.174 2112 L CA 1.586 56.495 54.840 0.114 0.000 0.869 2112 L CB -0.457 41.688 42.059 0.143 0.000 1.130 2112 L HN 1.323 nan 8.230 nan 0.000 0.474 2113 G N 4.241 113.131 108.800 0.151 0.000 2.193 2113 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.232 2113 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.232 2113 G C -0.252 174.810 174.900 0.269 0.000 0.628 2113 G CA 0.008 45.217 45.100 0.181 0.000 1.056 2113 G HN 0.535 nan 8.290 nan 0.000 0.328 2114 F N 3.255 123.271 119.950 0.111 0.000 2.371 2114 F HA 0.819 5.344 4.527 -0.003 0.000 0.329 2114 F C 0.766 176.643 175.800 0.129 0.000 1.107 2114 F CA -0.295 57.779 58.000 0.123 0.000 1.137 2114 F CB 1.035 40.009 39.000 -0.043 0.000 1.214 2114 F HN 0.928 nan 8.300 nan 0.000 0.536 2115 R N 2.036 122.139 120.500 -0.662 0.000 2.780 2115 R HA 0.480 4.818 4.340 -0.003 0.000 0.280 2115 R C -2.109 173.993 176.300 -0.329 0.000 1.016 2115 R CA -1.311 54.605 56.100 -0.306 0.000 0.854 2115 R CB 0.612 30.893 30.300 -0.033 0.000 1.293 2115 R HN 0.400 nan 8.270 nan 0.000 0.483 2116 K N 0.652 121.030 120.400 -0.035 0.000 2.090 2116 K HA 0.476 4.795 4.320 -0.003 0.000 0.249 2116 K C -0.535 176.090 176.600 0.042 0.000 0.995 2116 K CA -0.576 55.748 56.287 0.061 0.000 0.914 2116 K CB 0.759 33.373 32.500 0.189 0.000 1.057 2116 K HN 0.449 nan 8.250 nan 0.000 0.462 2117 L N 2.001 123.238 121.223 0.025 0.000 2.331 2117 L HA 0.219 4.558 4.340 -0.003 0.000 0.278 2117 L C 0.372 177.274 176.870 0.054 0.000 1.106 2117 L CA -0.630 54.245 54.840 0.058 0.000 0.824 2117 L CB 0.681 42.797 42.059 0.095 0.000 1.142 2117 L HN 0.748 nan 8.230 nan 0.000 0.443 2118 T N 0.052 114.621 114.554 0.026 0.000 2.919 2118 T HA 0.140 4.489 4.350 -0.003 0.000 0.302 2118 T C -1.495 173.222 174.700 0.029 0.000 1.031 2118 T CA -1.584 60.530 62.100 0.023 0.000 1.127 2118 T CB 0.931 69.793 68.868 -0.010 0.000 0.952 2118 T HN 0.439 nan 8.240 nan 0.000 0.540 2119 P HA -0.242 nan 4.420 nan 0.000 0.218 2119 P C 1.423 178.729 177.300 0.011 0.000 1.152 2119 P CA 1.398 64.521 63.100 0.038 0.000 0.857 2119 P CB 0.069 31.789 31.700 0.034 0.000 0.787 2120 R N 0.391 120.886 120.500 -0.008 0.000 2.080 2120 R HA -0.159 4.180 4.340 -0.003 0.000 0.236 2120 R C 2.461 178.723 176.300 -0.063 0.000 1.137 2120 R CA 1.599 57.678 56.100 -0.035 0.000 0.943 2120 R CB -0.900 29.378 30.300 -0.037 0.000 0.846 2120 R HN 0.387 nan 8.270 nan 0.000 0.431 2121 E N 1.225 121.397 120.200 -0.047 0.000 2.085 2121 E HA -0.196 4.153 4.350 -0.003 0.000 0.194 2121 E C 1.975 178.512 176.600 -0.105 0.000 0.994 2121 E CA 1.184 57.543 56.400 -0.068 0.000 0.801 2121 E CB -0.322 29.410 29.700 0.054 0.000 0.743 2121 E HN 0.350 nan 8.360 nan 0.000 0.453 2122 L N 1.448 122.673 121.223 0.003 0.000 2.633 2122 L HA -0.110 4.228 4.340 -0.003 0.000 0.235 2122 L C 1.361 178.241 176.870 0.016 0.000 1.163 2122 L CA 0.425 55.312 54.840 0.078 0.000 0.859 2122 L CB -0.261 41.859 42.059 0.102 0.000 0.973 2122 L HN -0.002 nan 8.230 nan 0.000 0.451 2123 D N -0.231 120.116 120.400 -0.087 0.000 2.271 2123 D HA -0.031 4.607 4.640 -0.003 0.000 0.206 2123 D C 2.255 178.425 176.300 -0.217 0.000 0.967 2123 D CA 0.782 54.721 54.000 -0.100 0.000 0.867 2123 D CB 0.051 40.801 40.800 -0.083 0.000 0.960 2123 D HN 0.361 nan 8.370 nan 0.000 0.509 2124 M N -0.195 119.130 119.600 -0.458 0.000 2.358 2124 M HA -0.066 4.413 4.480 -0.003 0.000 0.264 2124 M C -0.192 175.582 176.300 -0.877 0.000 1.064 2124 M CA 1.016 55.849 55.300 -0.778 0.000 1.093 2124 M CB -0.085 31.779 32.600 -1.227 0.000 1.401 2124 M HN -0.134 nan 8.290 nan 0.000 0.440 2125 F N -0.199 119.688 119.950 -0.105 0.000 2.513 2125 F HA 0.342 4.867 4.527 -0.003 0.000 0.358 2125 F C -1.763 174.052 175.800 0.025 0.000 1.118 2125 F CA -2.672 55.291 58.000 -0.061 0.000 1.037 2125 F CB 0.082 38.992 39.000 -0.149 0.000 1.276 2125 F HN -0.178 nan 8.300 nan 0.000 0.446 2126 P HA -0.145 nan 4.420 nan 0.000 0.216 2126 P C 0.855 178.248 177.300 0.156 0.000 1.153 2126 P CA 1.394 64.565 63.100 0.119 0.000 0.848 2126 P CB 0.459 32.201 31.700 0.071 0.000 0.787 2127 D N -1.240 119.281 120.400 0.202 0.000 2.221 2127 D HA -0.132 4.506 4.640 -0.003 0.000 0.204 2127 D C 0.922 177.156 176.300 -0.110 0.000 0.982 2127 D CA 1.200 55.256 54.000 0.092 0.000 0.857 2127 D CB -0.307 40.549 40.800 0.092 0.000 0.934 2127 D HN 0.263 nan 8.370 nan 0.000 0.475 2128 Y N -0.963 119.316 120.300 -0.035 0.000 2.645 2128 Y HA 0.531 5.079 4.550 -0.003 0.000 0.341 2128 Y C 1.831 177.748 175.900 0.029 0.000 1.234 2128 Y CA -0.383 57.644 58.100 -0.123 0.000 1.352 2128 Y CB 0.914 39.257 38.460 -0.196 0.000 1.556 2128 Y HN -0.149 nan 8.280 nan 0.000 0.607 2129 G N -2.122 106.819 108.800 0.235 0.000 3.858 2129 G HA2 0.093 4.051 3.960 -0.003 0.000 0.164 2129 G HA3 0.093 4.051 3.960 -0.003 0.000 0.164 2129 G C -1.296 173.782 174.900 0.296 0.000 1.116 2129 G CA 0.178 45.407 45.100 0.215 0.000 0.830 2129 G HN 0.442 nan 8.290 nan 0.000 0.666 2130 Y N -0.062 120.332 120.300 0.156 0.000 2.689 2130 Y HA 0.619 5.167 4.550 -0.003 0.000 0.333 2130 Y C -0.157 175.846 175.900 0.172 0.000 1.208 2130 Y CA -0.030 58.156 58.100 0.143 0.000 1.055 2130 Y CB 1.523 40.050 38.460 0.112 0.000 1.304 2130 Y HN 0.808 nan 8.280 nan 0.000 0.455 2131 G N 0.500 108.810 108.800 -0.816 0.000 2.320 2131 G HA2 0.315 4.274 3.960 -0.003 0.000 0.297 2131 G HA3 0.315 4.274 3.960 -0.003 0.000 0.297 2131 G C -2.349 172.274 174.900 -0.461 0.000 1.344 2131 G CA -0.920 43.869 45.100 -0.520 0.000 0.851 2131 G HN 0.557 nan 8.290 nan 0.000 0.567 2132 W N -1.054 120.284 121.300 0.063 0.000 2.850 2132 W HA 0.820 5.478 4.660 -0.003 0.000 0.349 2132 W C -1.071 175.519 176.519 0.118 0.000 1.133 2132 W CA -1.456 55.876 57.345 -0.022 0.000 1.117 2132 W CB 1.696 31.170 29.460 0.023 0.000 1.442 2132 W HN 0.512 nan 8.180 nan 0.000 0.575 2133 F N 2.263 122.253 119.950 0.067 0.000 2.591 2133 F HA 0.504 5.030 4.527 -0.003 0.000 0.309 2133 F C -0.322 175.519 175.800 0.069 0.000 1.098 2133 F CA -0.304 57.685 58.000 -0.017 0.000 0.937 2133 F CB 1.303 40.220 39.000 -0.139 0.000 1.250 2133 F HN 0.387 nan 8.300 nan 0.000 0.447 2134 H N 0.999 119.782 119.070 -0.478 0.000 2.950 2134 H HA 0.368 4.922 4.556 -0.003 0.000 0.307 2134 H C -1.955 173.265 175.328 -0.180 0.000 1.403 2134 H CA -0.988 54.998 56.048 -0.103 0.000 1.145 2134 H CB 1.026 30.967 29.762 0.298 0.000 1.844 2134 H HN 0.443 nan 8.280 nan 0.000 0.515 2135 T N 1.144 115.742 114.554 0.072 0.000 2.829 2135 T HA 0.534 4.882 4.350 -0.003 0.000 0.282 2135 T C 0.060 174.939 174.700 0.297 0.000 0.990 2135 T CA -0.439 61.707 62.100 0.076 0.000 1.028 2135 T CB 1.727 70.666 68.868 0.117 0.000 0.951 2135 T HN 0.611 nan 8.240 nan 0.000 0.460 2136 S N 1.203 117.061 115.700 0.264 0.000 2.903 2136 S HA 0.819 5.287 4.470 -0.003 0.000 0.314 2136 S C -1.641 172.971 174.600 0.020 0.000 1.177 2136 S CA -0.793 57.615 58.200 0.346 0.000 0.859 2136 S CB 0.673 64.096 63.200 0.372 0.000 1.265 2136 S HN 0.561 nan 8.310 nan 0.000 0.584 2137 L N 1.529 122.634 121.223 -0.196 0.000 2.333 2137 L HA 0.674 5.012 4.340 -0.003 0.000 0.269 2137 L C -0.948 175.702 176.870 -0.366 0.000 1.010 2137 L CA -0.599 53.994 54.840 -0.412 0.000 0.818 2137 L CB 1.658 43.310 42.059 -0.679 0.000 1.306 2137 L HN 0.513 nan 8.230 nan 0.000 0.430 2138 I N 2.751 122.951 120.570 -0.618 0.000 2.406 2138 I HA 0.290 4.459 4.170 -0.003 0.000 0.290 2138 I C -1.040 174.800 176.117 -0.461 0.000 0.999 2138 I CA -0.603 60.357 61.300 -0.568 0.000 1.124 2138 I CB 2.185 39.689 38.000 -0.826 0.000 1.289 2138 I HN 0.321 nan 8.210 nan 0.000 0.441 2139 L N 7.218 128.272 121.223 -0.282 0.000 2.313 2139 L HA 0.382 4.720 4.340 -0.003 0.000 0.273 2139 L C -0.061 176.722 176.870 -0.145 0.000 1.028 2139 L CA -0.081 54.599 54.840 -0.267 0.000 0.871 2139 L CB 0.651 42.487 42.059 -0.371 0.000 1.242 2139 L HN 0.478 nan 8.230 nan 0.000 0.434 2140 E N 2.297 122.466 120.200 -0.051 0.000 2.324 2140 E HA 0.194 4.543 4.350 -0.003 0.000 0.271 2140 E C 1.003 177.641 176.600 0.063 0.000 1.028 2140 E CA 0.524 56.943 56.400 0.030 0.000 0.890 2140 E CB 1.109 30.868 29.700 0.098 0.000 1.004 2140 E HN 0.835 nan 8.360 nan 0.000 0.431 2141 G N 3.703 112.544 108.800 0.068 0.000 2.403 2141 G HA2 -0.264 3.695 3.960 -0.003 0.000 0.216 2141 G HA3 -0.264 3.695 3.960 -0.003 0.000 0.216 2141 G C 1.358 176.330 174.900 0.120 0.000 1.154 2141 G CA 0.354 45.519 45.100 0.109 0.000 0.784 2141 G HN 0.489 nan 8.290 nan 0.000 0.538 2142 K N -0.006 120.449 120.400 0.093 0.000 2.281 2142 K HA -0.107 4.211 4.320 -0.003 0.000 0.203 2142 K C 1.896 178.558 176.600 0.104 0.000 1.046 2142 K CA 1.344 57.683 56.287 0.087 0.000 0.938 2142 K CB 0.033 32.573 32.500 0.066 0.000 0.737 2142 K HN 0.215 nan 8.250 nan 0.000 0.458 2143 N N -1.256 117.519 118.700 0.125 0.000 2.482 2143 N HA -0.051 4.687 4.740 -0.003 0.000 0.179 2143 N C 1.140 176.794 175.510 0.240 0.000 1.039 2143 N CA 0.381 53.519 53.050 0.147 0.000 0.884 2143 N CB -0.216 38.336 38.487 0.108 0.000 1.113 2143 N HN 0.094 nan 8.380 nan 0.000 0.440 2144 Y N 1.357 121.703 120.300 0.076 0.000 2.181 2144 Y HA -0.056 4.492 4.550 -0.002 0.000 0.288 2144 Y C 1.711 177.733 175.900 0.203 0.000 1.146 2144 Y CA 1.060 59.231 58.100 0.118 0.000 1.164 2144 Y CB -0.424 38.040 38.460 0.006 0.000 0.982 2144 Y HN -0.070 nan 8.280 nan 0.000 0.515 2145 L N -0.071 121.234 121.223 0.137 0.000 2.017 2145 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 2145 L C 2.516 179.440 176.870 0.090 0.000 1.073 2145 L CA 1.939 56.821 54.840 0.071 0.000 0.745 2145 L CB -1.345 40.779 42.059 0.107 0.000 0.894 2145 L HN 0.191 nan 8.230 nan 0.000 0.432 2146 Q N -1.656 118.216 119.800 0.120 0.000 2.119 2146 Q HA -0.246 4.093 4.340 -0.003 0.000 0.201 2146 Q C 2.088 178.145 176.000 0.095 0.000 0.972 2146 Q CA 1.631 57.488 55.803 0.089 0.000 0.847 2146 Q CB -0.535 28.253 28.738 0.083 0.000 0.903 2146 Q HN 0.528 nan 8.270 nan 0.000 0.433 2147 W N -0.014 121.273 121.300 -0.022 0.000 2.379 2147 W HA -0.120 4.539 4.660 -0.002 0.000 0.307 2147 W C 1.470 177.946 176.519 -0.072 0.000 1.200 2147 W CA 1.388 58.714 57.345 -0.031 0.000 1.297 2147 W CB -0.366 29.104 29.460 0.017 0.000 1.140 2147 W HN 0.176 nan 8.180 nan 0.000 0.507 2148 L N -0.034 121.126 121.223 -0.105 0.000 1.990 2148 L HA -0.312 4.026 4.340 -0.003 0.000 0.213 2148 L C 2.506 179.230 176.870 -0.242 0.000 1.072 2148 L CA 2.127 56.772 54.840 -0.324 0.000 0.755 2148 L CB -1.381 40.545 42.059 -0.222 0.000 0.889 2148 L HN -0.029 nan 8.230 nan 0.000 0.432 2149 T N -0.876 113.628 114.554 -0.084 0.000 2.635 2149 T HA -0.271 4.077 4.350 -0.003 0.000 0.267 2149 T C 1.756 176.304 174.700 -0.255 0.000 1.040 2149 T CA 1.693 63.758 62.100 -0.059 0.000 1.156 2149 T CB -0.208 68.609 68.868 -0.084 0.000 0.863 2149 T HN 0.360 nan 8.240 nan 0.000 0.430 2150 E N 0.181 120.211 120.200 -0.282 0.000 2.049 2150 E HA -0.193 4.155 4.350 -0.003 0.000 0.198 2150 E C 2.616 179.002 176.600 -0.357 0.000 1.007 2150 E CA 1.190 57.409 56.400 -0.303 0.000 0.809 2150 E CB -0.078 29.474 29.700 -0.248 0.000 0.749 2150 E HN 0.115 nan 8.360 nan 0.000 0.450 2151 R N 0.196 120.378 120.500 -0.530 0.000 2.105 2151 R HA -0.140 4.199 4.340 -0.003 0.000 0.239 2151 R C 2.142 178.227 176.300 -0.359 0.000 1.135 2151 R CA 0.747 56.533 56.100 -0.523 0.000 0.967 2151 R CB -0.483 29.312 30.300 -0.841 0.000 0.861 2151 R HN 0.127 nan 8.270 nan 0.000 0.442 2152 L N -0.296 120.762 121.223 -0.275 0.000 2.072 2152 L HA -0.066 4.272 4.340 -0.003 0.000 0.205 2152 L C 1.780 178.582 176.870 -0.114 0.000 1.079 2152 L CA 1.943 56.706 54.840 -0.128 0.000 0.752 2152 L CB -0.929 41.197 42.059 0.112 0.000 0.906 2152 L HN 0.221 nan 8.230 nan 0.000 0.436 2153 T N -0.303 114.124 114.554 -0.213 0.000 2.788 2153 T HA -0.183 4.165 4.350 -0.003 0.000 0.268 2153 T C 1.361 175.948 174.700 -0.188 0.000 1.044 2153 T CA 1.284 63.226 62.100 -0.262 0.000 1.139 2153 T CB -0.337 68.296 68.868 -0.392 0.000 0.867 2153 T HN 0.584 nan 8.240 nan 0.000 0.454 2154 E N 1.515 121.598 120.200 -0.195 0.000 2.512 2154 E HA -0.040 4.309 4.350 -0.003 0.000 0.195 2154 E C 1.344 177.847 176.600 -0.161 0.000 1.083 2154 E CA 0.219 56.524 56.400 -0.159 0.000 0.873 2154 E CB -0.141 29.468 29.700 -0.152 0.000 0.897 2154 E HN 0.446 nan 8.360 nan 0.000 0.514 2155 R N -0.017 120.369 120.500 -0.190 0.000 2.509 2155 R HA 0.197 4.535 4.340 -0.003 0.000 0.300 2155 R C 0.847 177.113 176.300 -0.056 0.000 0.985 2155 R CA 0.294 56.248 56.100 -0.243 0.000 1.092 2155 R CB 0.888 30.815 30.300 -0.621 0.000 1.237 2155 R HN 0.289 nan 8.270 nan 0.000 0.546 2156 G N 1.084 109.870 108.800 -0.022 0.000 2.148 2156 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.254 2156 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.254 2156 G C 0.139 175.096 174.900 0.095 0.000 0.981 2156 G CA 0.072 45.198 45.100 0.042 0.000 0.670 2156 G HN 0.168 nan 8.290 nan 0.000 0.528 2157 V N 2.006 121.981 119.914 0.102 0.000 2.322 2157 V HA 0.264 4.382 4.120 -0.003 0.000 0.258 2157 V C 0.920 177.190 176.094 0.293 0.000 1.074 2157 V CA -0.247 62.170 62.300 0.195 0.000 0.909 2157 V CB 0.815 32.758 31.823 0.200 0.000 1.090 2157 V HN 0.308 nan 8.190 nan 0.000 0.486 2158 K N 4.440 124.997 120.400 0.262 0.000 2.237 2158 K HA 0.488 4.806 4.320 -0.003 0.000 0.270 2158 K C -0.617 176.149 176.600 0.277 0.000 1.015 2158 K CA -0.085 56.299 56.287 0.162 0.000 0.949 2158 K CB 1.092 33.619 32.500 0.045 0.000 0.976 2158 K HN 0.437 nan 8.250 nan 0.000 0.472 2159 F N 2.274 121.977 119.950 -0.412 0.000 2.443 2159 F HA 0.395 4.920 4.527 -0.004 0.000 0.335 2159 F C -0.210 175.251 175.800 -0.565 0.000 1.104 2159 F CA -1.103 56.752 58.000 -0.242 0.000 1.013 2159 F CB 0.956 39.800 39.000 -0.260 0.000 1.136 2159 F HN 0.296 nan 8.300 nan 0.000 0.470 2160 F N 1.613 121.773 119.950 0.349 0.000 2.529 2160 F HA 0.249 4.773 4.527 -0.004 0.000 0.320 2160 F C 0.007 175.953 175.800 0.243 0.000 1.118 2160 F CA -0.938 57.165 58.000 0.172 0.000 0.915 2160 F CB 1.668 40.654 39.000 -0.023 0.000 1.161 2160 F HN 0.329 nan 8.300 nan 0.000 0.445 2161 Q N 5.375 125.383 119.800 0.347 0.000 2.835 2161 Q HA 0.249 4.587 4.340 -0.003 0.000 0.235 2161 Q C -0.830 175.245 176.000 0.124 0.000 1.313 2161 Q CA -0.351 55.688 55.803 0.393 0.000 1.053 2161 Q CB 0.204 29.191 28.738 0.415 0.000 1.443 2161 Q HN 0.896 nan 8.270 nan 0.000 0.576 2162 R N 0.608 121.114 120.500 0.009 0.000 2.686 2162 R HA 0.492 4.831 4.340 -0.003 0.000 0.286 2162 R C -1.082 175.162 176.300 -0.093 0.000 0.969 2162 R CA -0.961 55.080 56.100 -0.098 0.000 0.898 2162 R CB 1.595 31.741 30.300 -0.255 0.000 1.183 2162 R HN -0.012 nan 8.270 nan 0.000 0.456 2163 K N 2.756 123.104 120.400 -0.087 0.000 2.285 2163 K HA 0.198 4.516 4.320 -0.003 0.000 0.286 2163 K C -0.713 175.845 176.600 -0.070 0.000 1.072 2163 K CA -0.571 55.662 56.287 -0.089 0.000 0.913 2163 K CB 1.216 33.655 32.500 -0.103 0.000 1.067 2163 K HN 0.475 nan 8.250 nan 0.000 0.479 2164 V N 4.784 124.671 119.914 -0.045 0.000 2.583 2164 V HA 0.016 4.135 4.120 -0.003 0.000 0.287 2164 V C 0.994 177.045 176.094 -0.070 0.000 1.051 2164 V CA -0.143 62.144 62.300 -0.022 0.000 1.010 2164 V CB 1.391 33.234 31.823 0.032 0.000 0.988 2164 V HN 0.889 nan 8.190 nan 0.000 0.478 2165 E N 2.175 122.335 120.200 -0.067 0.000 2.075 2165 E HA 0.075 4.424 4.350 -0.003 0.000 0.190 2165 E C 0.754 177.274 176.600 -0.134 0.000 0.969 2165 E CA 0.898 57.244 56.400 -0.089 0.000 0.815 2165 E CB 0.398 30.060 29.700 -0.063 0.000 0.776 2165 E HN 0.834 nan 8.360 nan 0.000 0.457 2166 S N -1.565 114.057 115.700 -0.130 0.000 2.625 2166 S HA 0.330 4.798 4.470 -0.003 0.000 0.271 2166 S C 0.243 174.769 174.600 -0.124 0.000 1.161 2166 S CA -0.702 57.380 58.200 -0.197 0.000 0.820 2166 S CB 0.096 63.238 63.200 -0.097 0.000 1.137 2166 S HN -0.111 nan 8.310 nan 0.000 0.470 2167 F N 1.219 121.180 119.950 0.018 0.000 2.234 2167 F HA 0.118 4.643 4.527 -0.003 0.000 0.299 2167 F C 2.298 178.101 175.800 0.005 0.000 1.087 2167 F CA 1.268 59.276 58.000 0.013 0.000 1.340 2167 F CB -0.919 38.091 39.000 0.016 0.000 1.031 2167 F HN 0.611 nan 8.300 nan 0.000 0.500 2168 E N -0.054 120.246 120.200 0.168 0.000 2.152 2168 E HA -0.155 4.194 4.350 -0.003 0.000 0.192 2168 E C 2.108 178.745 176.600 0.063 0.000 0.983 2168 E CA 0.751 57.209 56.400 0.096 0.000 0.818 2168 E CB -0.401 29.339 29.700 0.066 0.000 0.758 2168 E HN 0.361 nan 8.360 nan 0.000 0.467 2169 E N 0.489 120.718 120.200 0.048 0.000 2.097 2169 E HA -0.219 4.130 4.350 -0.003 0.000 0.196 2169 E C 1.781 178.415 176.600 0.055 0.000 1.000 2169 E CA 1.549 57.969 56.400 0.034 0.000 0.804 2169 E CB 0.144 29.854 29.700 0.015 0.000 0.740 2169 E HN 0.141 nan 8.360 nan 0.000 0.454 2170 V N 0.975 120.939 119.914 0.084 0.000 2.256 2170 V HA -0.181 3.937 4.120 -0.003 0.000 0.240 2170 V C 2.524 178.647 176.094 0.048 0.000 1.036 2170 V CA 1.575 63.927 62.300 0.086 0.000 1.008 2170 V CB -1.052 30.832 31.823 0.101 0.000 0.648 2170 V HN 0.400 nan 8.190 nan 0.000 0.453 2171 A N 0.726 123.576 122.820 0.050 0.000 1.909 2171 A HA -0.392 3.926 4.320 -0.003 0.000 0.221 2171 A C 2.352 179.945 177.584 0.015 0.000 1.223 2171 A CA 2.943 54.994 52.037 0.023 0.000 0.658 2171 A CB -0.902 18.116 19.000 0.030 0.000 0.831 2171 A HN 0.547 nan 8.150 nan 0.000 0.462 2172 R N 0.016 120.529 120.500 0.023 0.000 2.204 2172 R HA -0.255 4.084 4.340 -0.003 0.000 0.253 2172 R C 1.773 178.079 176.300 0.010 0.000 1.172 2172 R CA 2.189 58.298 56.100 0.015 0.000 0.994 2172 R CB -0.341 29.969 30.300 0.018 0.000 0.874 2172 R HN 0.760 nan 8.270 nan 0.000 0.462 2173 E N -2.182 118.025 120.200 0.012 0.000 2.122 2173 E HA 0.052 4.400 4.350 -0.003 0.000 0.190 2173 E C 1.338 177.936 176.600 -0.004 0.000 0.977 2173 E CA 0.823 57.227 56.400 0.007 0.000 0.820 2173 E CB 0.458 30.169 29.700 0.018 0.000 0.770 2173 E HN 0.631 nan 8.360 nan 0.000 0.462 2174 G N 0.172 108.966 108.800 -0.010 0.000 3.897 2174 G HA2 0.036 3.994 3.960 -0.003 0.000 0.207 2174 G HA3 0.036 3.994 3.960 -0.003 0.000 0.207 2174 G C 0.060 174.944 174.900 -0.026 0.000 0.872 2174 G CA -0.144 44.945 45.100 -0.018 0.000 0.872 2174 G HN 0.309 nan 8.290 nan 0.000 0.442 2175 A N 1.062 123.860 122.820 -0.037 0.000 2.491 2175 A HA 0.499 4.818 4.320 -0.003 0.000 0.261 2175 A C 0.912 178.475 177.584 -0.036 0.000 1.101 2175 A CA 1.045 53.053 52.037 -0.049 0.000 0.772 2175 A CB 0.101 19.056 19.000 -0.075 0.000 1.043 2175 A HN 0.283 nan 8.150 nan 0.000 0.501 2176 D N 1.208 121.590 120.400 -0.029 0.000 2.162 2176 D HA 0.120 4.758 4.640 -0.003 0.000 0.203 2176 D C 0.066 176.343 176.300 -0.038 0.000 0.967 2176 D CA 1.082 55.063 54.000 -0.031 0.000 0.840 2176 D CB 0.083 40.868 40.800 -0.025 0.000 0.972 2176 D HN 0.284 nan 8.370 nan 0.000 0.482 2177 V N 1.057 120.959 119.914 -0.019 0.000 2.638 2177 V HA 0.349 4.468 4.120 -0.003 0.000 0.306 2177 V C -0.780 175.281 176.094 -0.055 0.000 1.052 2177 V CA -0.716 61.571 62.300 -0.022 0.000 0.885 2177 V CB 2.417 34.287 31.823 0.079 0.000 0.999 2177 V HN 0.012 nan 8.190 nan 0.000 0.424 2178 I N 5.026 125.530 120.570 -0.109 0.000 2.428 2178 I HA 0.300 4.469 4.170 -0.003 0.000 0.279 2178 I C -0.253 175.769 176.117 -0.158 0.000 1.040 2178 I CA -0.640 60.582 61.300 -0.129 0.000 1.171 2178 I CB 1.640 39.561 38.000 -0.132 0.000 1.312 2178 I HN 0.295 nan 8.210 nan 0.000 0.470 2179 V N 5.169 125.021 119.914 -0.104 0.000 2.421 2179 V HA -0.006 4.113 4.120 -0.003 0.000 0.271 2179 V C 0.421 176.495 176.094 -0.033 0.000 1.031 2179 V CA -0.161 62.090 62.300 -0.083 0.000 1.032 2179 V CB 0.416 32.194 31.823 -0.076 0.000 1.009 2179 V HN 0.674 nan 8.190 nan 0.000 0.477 2180 N N 4.350 123.044 118.700 -0.011 0.000 2.439 2180 N HA 0.309 5.047 4.740 -0.003 0.000 0.249 2180 N C -0.471 175.174 175.510 0.225 0.000 1.003 2180 N CA -0.394 52.746 53.050 0.149 0.000 0.942 2180 N CB 0.591 39.237 38.487 0.264 0.000 1.115 2180 N HN 0.682 nan 8.380 nan 0.000 0.505 2181 C N 2.768 122.172 119.300 0.173 0.000 3.206 2181 C HA 0.242 4.700 4.460 -0.003 0.000 0.206 2181 C C 1.213 176.298 174.990 0.158 0.000 1.836 2181 C CA -0.665 58.458 59.018 0.176 0.000 1.382 2181 C CB -1.239 26.562 27.740 0.102 0.000 2.405 2181 C HN 0.833 nan 8.230 nan 0.000 0.516 2182 T N -2.011 112.635 114.554 0.154 0.000 3.206 2182 T HA 0.445 4.794 4.350 -0.003 0.000 0.253 2182 T C 1.359 176.188 174.700 0.215 0.000 1.042 2182 T CA 0.696 62.888 62.100 0.154 0.000 0.931 2182 T CB 0.201 69.134 68.868 0.108 0.000 1.029 2182 T HN 0.993 nan 8.240 nan 0.000 0.564 2183 G N 1.802 110.732 108.800 0.218 0.000 2.627 2183 G HA2 -0.390 3.568 3.960 -0.003 0.000 0.312 2183 G HA3 -0.390 3.568 3.960 -0.003 0.000 0.312 2183 G C 1.081 176.060 174.900 0.132 0.000 1.299 2183 G CA 0.831 46.060 45.100 0.216 0.000 0.989 2183 G HN 0.911 nan 8.290 nan 0.000 0.547 2184 V N 0.060 119.956 119.914 -0.031 0.000 2.469 2184 V HA -0.062 4.057 4.120 -0.003 0.000 0.251 2184 V C 2.019 178.085 176.094 -0.046 0.000 1.064 2184 V CA 2.713 64.900 62.300 -0.188 0.000 1.066 2184 V CB -0.449 31.028 31.823 -0.577 0.000 0.667 2184 V HN 0.636 nan 8.190 nan 0.000 0.461 2185 W N -0.412 120.996 121.300 0.180 0.000 3.438 2185 W HA 0.397 5.057 4.660 -0.001 0.000 0.322 2185 W C 2.136 178.638 176.519 -0.028 0.000 1.261 2185 W CA 0.210 57.615 57.345 0.100 0.000 1.788 2185 W CB -0.873 28.626 29.460 0.066 0.000 1.065 2185 W HN 0.489 nan 8.180 nan 0.000 0.715 2186 A N 0.754 123.608 122.820 0.057 0.000 1.972 2186 A HA -0.066 4.253 4.320 -0.003 0.000 0.219 2186 A C 2.388 179.886 177.584 -0.144 0.000 1.169 2186 A CA 1.950 53.872 52.037 -0.192 0.000 0.635 2186 A CB -1.083 17.436 19.000 -0.802 0.000 0.810 2186 A HN 0.280 nan 8.150 nan 0.000 0.446 2187 G N -0.284 108.490 108.800 -0.043 0.000 2.475 2187 G HA2 -0.004 3.955 3.960 -0.003 0.000 0.220 2187 G HA3 -0.004 3.955 3.960 -0.003 0.000 0.220 2187 G C 1.266 176.130 174.900 -0.059 0.000 1.125 2187 G CA 1.036 46.122 45.100 -0.024 0.000 0.755 2187 G HN 0.969 nan 8.290 nan 0.000 0.565 2188 A N -0.435 122.343 122.820 -0.070 0.000 2.416 2188 A HA 0.620 4.938 4.320 -0.003 0.000 0.252 2188 A C 1.337 178.814 177.584 -0.178 0.000 1.353 2188 A CA 0.177 52.150 52.037 -0.105 0.000 0.996 2188 A CB -0.245 18.701 19.000 -0.089 0.000 0.961 2188 A HN 0.372 nan 8.150 nan 0.000 0.523 2189 L N -2.349 118.736 121.223 -0.230 0.000 3.923 2189 L HA 0.288 4.626 4.340 -0.003 0.000 0.374 2189 L C 0.052 176.713 176.870 -0.349 0.000 1.137 2189 L CA 0.142 54.690 54.840 -0.486 0.000 1.351 2189 L CB 0.669 42.262 42.059 -0.776 0.000 1.720 2189 L HN 0.458 nan 8.230 nan 0.000 0.634 2190 Q N 1.286 121.028 119.800 -0.097 0.000 2.638 2190 Q HA 0.140 4.478 4.340 -0.003 0.000 0.227 2190 Q C -1.065 174.953 176.000 0.029 0.000 0.842 2190 Q CA -0.457 55.378 55.803 0.053 0.000 1.095 2190 Q CB 1.839 30.726 28.738 0.249 0.000 1.595 2190 Q HN 0.026 nan 8.270 nan 0.000 0.511 2191 R N 2.103 122.620 120.500 0.027 0.000 2.566 2191 R HA -0.022 4.317 4.340 -0.003 0.000 0.273 2191 R C -0.852 175.482 176.300 0.057 0.000 0.981 2191 R CA 1.249 57.367 56.100 0.030 0.000 1.091 2191 R CB 0.351 30.667 30.300 0.028 0.000 0.924 2191 R HN 0.600 nan 8.270 nan 0.000 0.411 2192 D N 4.107 124.547 120.400 0.067 0.000 2.970 2192 D HA 0.230 4.869 4.640 -0.003 0.000 0.230 2192 D C -1.980 174.376 176.300 0.093 0.000 1.276 2192 D CA -1.256 52.802 54.000 0.097 0.000 0.910 2192 D CB 1.975 42.869 40.800 0.157 0.000 1.590 2192 D HN 0.286 nan 8.370 nan 0.000 0.551 2193 P HA 0.254 nan 4.420 nan 0.000 0.272 2193 P C 1.180 178.525 177.300 0.075 0.000 1.276 2193 P CA -0.017 63.127 63.100 0.074 0.000 0.871 2193 P CB 0.993 32.727 31.700 0.057 0.000 1.313 2194 L N -1.057 120.212 121.223 0.077 0.000 2.463 2194 L HA 0.190 4.528 4.340 -0.003 0.000 0.219 2194 L C 0.990 177.907 176.870 0.078 0.000 1.088 2194 L CA -0.178 54.702 54.840 0.066 0.000 0.849 2194 L CB -0.091 41.994 42.059 0.044 0.000 1.012 2194 L HN -0.035 nan 8.230 nan 0.000 0.468 2195 L N 1.548 122.837 121.223 0.110 0.000 2.342 2195 L HA 0.209 4.547 4.340 -0.003 0.000 0.285 2195 L C -0.340 176.585 176.870 0.091 0.000 1.095 2195 L CA 0.517 55.433 54.840 0.127 0.000 0.843 2195 L CB 0.349 42.548 42.059 0.233 0.000 1.201 2195 L HN 0.106 nan 8.230 nan 0.000 0.445 2196 Q N 6.819 126.638 119.800 0.033 0.000 2.377 2196 Q HA 0.558 4.896 4.340 -0.003 0.000 0.271 2196 Q C -2.450 173.419 176.000 -0.218 0.000 1.077 2196 Q CA -2.067 53.700 55.803 -0.059 0.000 0.820 2196 Q CB 2.049 30.776 28.738 -0.018 0.000 1.347 2196 Q HN 0.456 nan 8.270 nan 0.000 0.444 2197 P HA 0.086 nan 4.420 nan 0.000 0.280 2197 P C -0.670 176.346 177.300 -0.473 0.000 1.244 2197 P CA -0.168 62.533 63.100 -0.665 0.000 0.784 2197 P CB 0.852 31.686 31.700 -1.443 0.000 0.913 2198 G N 3.404 111.940 108.800 -0.441 0.000 2.428 2198 G HA2 0.267 4.226 3.960 -0.003 0.000 0.320 2198 G HA3 0.267 4.226 3.960 -0.003 0.000 0.320 2198 G C -0.131 174.431 174.900 -0.563 0.000 1.098 2198 G CA -0.635 43.990 45.100 -0.792 0.000 0.984 2198 G HN 0.463 nan 8.290 nan 0.000 0.444 2199 R N 2.393 122.683 120.500 -0.351 0.000 2.370 2199 R HA 0.391 4.730 4.340 -0.003 0.000 0.309 2199 R C 0.413 176.615 176.300 -0.162 0.000 1.059 2199 R CA -0.031 56.002 56.100 -0.111 0.000 0.981 2199 R CB 0.400 30.722 30.300 0.037 0.000 0.972 2199 R HN 0.471 nan 8.270 nan 0.000 0.437 2200 G N 2.621 111.318 108.800 -0.171 0.000 2.432 2200 G HA2 0.300 4.258 3.960 -0.003 0.000 0.331 2200 G HA3 0.300 4.258 3.960 -0.003 0.000 0.331 2200 G C -1.460 173.380 174.900 -0.101 0.000 1.170 2200 G CA -0.422 44.613 45.100 -0.108 0.000 0.943 2200 G HN 0.578 nan 8.290 nan 0.000 0.483 2201 Q N 0.429 120.196 119.800 -0.053 0.000 2.263 2201 Q HA 0.467 4.806 4.340 -0.003 0.000 0.262 2201 Q C -1.115 174.859 176.000 -0.042 0.000 0.984 2201 Q CA -0.686 55.090 55.803 -0.047 0.000 0.813 2201 Q CB 1.889 30.615 28.738 -0.020 0.000 1.299 2201 Q HN 0.673 nan 8.270 nan 0.000 0.428 2202 I N 0.039 120.588 120.570 -0.035 0.000 3.436 2202 I HA 0.734 4.903 4.170 -0.003 0.000 0.296 2202 I C -0.914 175.190 176.117 -0.023 0.000 1.143 2202 I CA -1.192 60.086 61.300 -0.036 0.000 1.009 2202 I CB 1.952 39.950 38.000 -0.003 0.000 1.301 2202 I HN 0.683 nan 8.210 nan 0.000 0.503 2203 M N 1.915 121.505 119.600 -0.016 0.000 2.221 2203 M HA 0.406 4.884 4.480 -0.003 0.000 0.259 2203 M C -1.743 174.569 176.300 0.021 0.000 1.001 2203 M CA -0.628 54.672 55.300 0.001 0.000 1.009 2203 M CB 1.297 33.889 32.600 -0.014 0.000 1.939 2203 M HN 0.510 nan 8.290 nan 0.000 0.477 2204 K N 3.160 123.576 120.400 0.025 0.000 2.276 2204 K HA 0.567 4.885 4.320 -0.003 0.000 0.283 2204 K C -0.928 175.691 176.600 0.032 0.000 1.044 2204 K CA -0.371 55.932 56.287 0.025 0.000 0.944 2204 K CB 2.063 34.575 32.500 0.021 0.000 1.012 2204 K HN 0.541 nan 8.250 nan 0.000 0.472 2205 V N 1.259 121.188 119.914 0.025 0.000 3.040 2205 V HA 0.165 4.283 4.120 -0.003 0.000 0.312 2205 V C -1.288 174.796 176.094 -0.017 0.000 1.115 2205 V CA -0.857 61.465 62.300 0.036 0.000 0.998 2205 V CB 2.494 34.367 31.823 0.082 0.000 1.042 2205 V HN 0.757 nan 8.190 nan 0.000 0.433 2206 D N 3.717 124.109 120.400 -0.013 0.000 2.524 2206 D HA 0.619 5.257 4.640 -0.003 0.000 0.222 2206 D C -0.108 176.086 176.300 -0.177 0.000 1.142 2206 D CA 0.293 54.257 54.000 -0.060 0.000 0.973 2206 D CB 0.678 41.475 40.800 -0.004 0.000 1.025 2206 D HN 0.773 nan 8.370 nan 0.000 0.519 2207 A N 3.967 126.569 122.820 -0.364 0.000 2.842 2207 A HA 0.415 4.733 4.320 -0.003 0.000 0.339 2207 A C -1.808 175.274 177.584 -0.837 0.000 1.177 2207 A CA -1.101 50.382 52.037 -0.924 0.000 0.797 2207 A CB 0.883 19.315 19.000 -0.947 0.000 1.094 2207 A HN 0.305 nan 8.150 nan 0.000 0.474 2208 P HA -0.191 nan 4.420 nan 0.000 0.216 2208 P C 1.320 178.520 177.300 -0.166 0.000 1.150 2208 P CA 1.694 64.669 63.100 -0.209 0.000 0.837 2208 P CB -0.103 31.594 31.700 -0.005 0.000 0.786 2209 W N -1.453 119.845 121.300 -0.004 0.000 2.392 2209 W HA 0.028 4.687 4.660 -0.002 0.000 0.279 2209 W C 0.468 176.977 176.519 -0.015 0.000 1.225 2209 W CA 0.139 57.477 57.345 -0.012 0.000 1.233 2209 W CB -1.726 27.732 29.460 -0.005 0.000 1.122 2209 W HN -0.236 nan 8.180 nan 0.000 0.561 2210 M N 2.837 122.193 119.600 -0.408 0.000 2.390 2210 M HA -0.016 4.463 4.480 -0.003 0.000 0.353 2210 M C 0.703 176.946 176.300 -0.095 0.000 1.623 2210 M CA 1.040 56.239 55.300 -0.169 0.000 1.065 2210 M CB 0.368 32.834 32.600 -0.223 0.000 2.025 2210 M HN 0.129 nan 8.290 nan 0.000 0.461 2211 K N 2.134 122.473 120.400 -0.101 0.000 2.412 2211 K HA 0.205 4.524 4.320 -0.003 0.000 0.202 2211 K C -0.033 176.439 176.600 -0.214 0.000 1.102 2211 K CA 0.450 56.627 56.287 -0.182 0.000 1.027 2211 K CB 0.587 32.921 32.500 -0.277 0.000 0.931 2211 K HN 0.701 nan 8.250 nan 0.000 0.557 2212 H N -0.019 119.079 119.070 0.048 0.000 2.572 2212 H HA 0.301 4.855 4.556 -0.003 0.000 0.359 2212 H C -0.466 174.851 175.328 -0.017 0.000 1.134 2212 H CA -1.249 54.748 56.048 -0.086 0.000 1.187 2212 H CB 1.221 30.889 29.762 -0.156 0.000 1.597 2212 H HN -0.108 nan 8.280 nan 0.000 0.524 2213 F N 0.634 120.656 119.950 0.121 0.000 2.418 2213 F HA 0.442 4.967 4.527 -0.003 0.000 0.341 2213 F C -0.409 175.445 175.800 0.091 0.000 1.120 2213 F CA -0.855 57.185 58.000 0.067 0.000 1.232 2213 F CB 0.263 39.257 39.000 -0.011 0.000 1.175 2213 F HN 0.337 nan 8.300 nan 0.000 0.569 2214 I N 5.218 125.973 120.570 0.309 0.000 2.782 2214 I HA 0.182 4.350 4.170 -0.003 0.000 0.279 2214 I C -0.894 175.251 176.117 0.046 0.000 1.247 2214 I CA -0.249 61.127 61.300 0.128 0.000 1.062 2214 I CB 0.510 38.504 38.000 -0.010 0.000 1.421 2214 I HN 0.522 nan 8.210 nan 0.000 0.558 2215 L N 3.754 125.048 121.223 0.118 0.000 2.367 2215 L HA 0.355 4.694 4.340 -0.003 0.000 0.275 2215 L C 0.725 177.361 176.870 -0.391 0.000 1.129 2215 L CA 0.057 54.850 54.840 -0.078 0.000 0.839 2215 L CB 0.960 42.995 42.059 -0.041 0.000 1.133 2215 L HN 0.494 nan 8.230 nan 0.000 0.453 2216 T N -0.534 113.735 114.554 -0.475 0.000 2.856 2216 T HA 0.532 4.880 4.350 -0.003 0.000 0.283 2216 T C -0.360 173.978 174.700 -0.602 0.000 1.008 2216 T CA -0.786 60.970 62.100 -0.574 0.000 0.997 2216 T CB 1.797 70.451 68.868 -0.355 0.000 0.992 2216 T HN 0.494 nan 8.240 nan 0.000 0.454 2217 H N 1.259 120.240 119.070 -0.147 0.000 2.797 2217 H HA 0.675 5.230 4.556 -0.003 0.000 0.362 2217 H C -1.044 174.376 175.328 0.153 0.000 1.183 2217 H CA -0.686 55.351 56.048 -0.019 0.000 1.197 2217 H CB 2.129 31.837 29.762 -0.090 0.000 1.835 2217 H HN 0.766 nan 8.280 nan 0.000 0.567 2218 D N 0.904 121.480 120.400 0.294 0.000 2.484 2218 D HA 0.068 4.706 4.640 -0.003 0.000 0.223 2218 D C -2.412 173.978 176.300 0.150 0.000 1.350 2218 D CA -0.913 53.239 54.000 0.253 0.000 0.940 2218 D CB 0.900 41.826 40.800 0.210 0.000 1.525 2218 D HN 0.113 nan 8.370 nan 0.000 0.504 2219 P HA -0.112 nan 4.420 nan 0.000 0.220 2219 P C 0.932 178.250 177.300 0.030 0.000 1.144 2219 P CA 0.844 63.985 63.100 0.067 0.000 0.800 2219 P CB 0.332 32.069 31.700 0.062 0.000 0.772 2220 E N -1.145 119.070 120.200 0.026 0.000 2.502 2220 E HA -0.015 4.333 4.350 -0.003 0.000 0.194 2220 E C 1.614 178.222 176.600 0.013 0.000 1.062 2220 E CA 0.162 56.564 56.400 0.004 0.000 0.867 2220 E CB 0.068 29.755 29.700 -0.022 0.000 0.888 2220 E HN 0.140 nan 8.360 nan 0.000 0.510 2221 R N -1.309 119.208 120.500 0.028 0.000 2.492 2221 R HA 0.212 4.551 4.340 -0.003 0.000 0.219 2221 R C 0.057 176.371 176.300 0.024 0.000 0.886 2221 R CA 0.532 56.653 56.100 0.035 0.000 1.003 2221 R CB 1.674 32.008 30.300 0.056 0.000 1.345 2221 R HN 0.125 nan 8.270 nan 0.000 0.631 2222 G N 1.957 110.753 108.800 -0.005 0.000 2.617 2222 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.686 2222 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.686 2222 G C -0.636 174.169 174.900 -0.158 0.000 1.214 2222 G CA -0.652 44.399 45.100 -0.081 0.000 0.796 2222 G HN 0.165 nan 8.290 nan 0.000 0.654 2223 I N 2.133 122.485 120.570 -0.363 0.000 3.148 2223 I HA 0.142 4.310 4.170 -0.003 0.000 0.317 2223 I C 1.309 177.192 176.117 -0.391 0.000 1.237 2223 I CA 1.360 62.301 61.300 -0.599 0.000 1.423 2223 I CB -0.718 36.714 38.000 -0.947 0.000 1.352 2223 I HN 1.318 nan 8.210 nan 0.000 0.526 2224 Y N 2.348 122.613 120.300 -0.058 0.000 4.893 2224 Y HA -0.337 4.211 4.550 -0.003 0.000 0.257 2224 Y C 1.409 177.424 175.900 0.192 0.000 0.958 2224 Y CA 1.306 59.487 58.100 0.135 0.000 1.897 2224 Y CB -2.467 36.155 38.460 0.271 0.000 1.352 2224 Y HN 0.788 nan 8.280 nan 0.000 0.499 2225 N N 0.487 119.326 118.700 0.230 0.000 2.466 2225 N HA 0.194 4.932 4.740 -0.003 0.000 0.211 2225 N C -0.307 175.279 175.510 0.128 0.000 1.256 2225 N CA 0.663 53.826 53.050 0.189 0.000 0.840 2225 N CB 0.142 38.717 38.487 0.147 0.000 1.079 2225 N HN 0.247 nan 8.380 nan 0.000 0.466 2226 S N -0.087 115.698 115.700 0.142 0.000 2.513 2226 S HA 0.528 4.996 4.470 -0.003 0.000 0.299 2226 S C -2.661 171.972 174.600 0.056 0.000 1.087 2226 S CA -1.777 56.480 58.200 0.094 0.000 1.012 2226 S CB 1.078 64.326 63.200 0.081 0.000 1.044 2226 S HN 0.024 nan 8.310 nan 0.000 0.485 2227 P HA 0.229 nan 4.420 nan 0.000 0.265 2227 P C -1.425 175.839 177.300 -0.060 0.000 1.193 2227 P CA 0.250 63.291 63.100 -0.098 0.000 0.765 2227 P CB 0.059 31.723 31.700 -0.061 0.000 0.823 2228 Y N 0.795 121.059 120.300 -0.060 0.000 2.609 2228 Y HA 0.765 5.313 4.550 -0.003 0.000 0.336 2228 Y C -1.604 174.273 175.900 -0.037 0.000 1.129 2228 Y CA -1.741 56.315 58.100 -0.072 0.000 1.040 2228 Y CB 0.737 39.158 38.460 -0.065 0.000 1.310 2228 Y HN 0.139 nan 8.280 nan 0.000 0.460 2229 I N 3.386 124.132 120.570 0.294 0.000 2.545 2229 I HA 0.568 4.736 4.170 -0.003 0.000 0.292 2229 I C -1.101 175.169 176.117 0.257 0.000 1.040 2229 I CA -0.819 60.603 61.300 0.203 0.000 1.068 2229 I CB 2.307 40.370 38.000 0.104 0.000 1.251 2229 I HN 0.610 nan 8.210 nan 0.000 0.424 2230 I N 7.021 127.719 120.570 0.213 0.000 2.540 2230 I HA 0.285 4.453 4.170 -0.003 0.000 0.280 2230 I C -2.591 173.615 176.117 0.148 0.000 1.083 2230 I CA -1.693 59.719 61.300 0.187 0.000 1.080 2230 I CB 1.982 40.047 38.000 0.109 0.000 1.205 2230 I HN 0.205 nan 8.210 nan 0.000 0.459 2231 P HA 0.109 nan 4.420 nan 0.000 0.269 2231 P C 0.428 177.845 177.300 0.195 0.000 1.252 2231 P CA 0.143 63.308 63.100 0.108 0.000 0.780 2231 P CB 0.696 32.446 31.700 0.082 0.000 0.829 2232 G N 2.111 110.991 108.800 0.134 0.000 2.510 2232 G HA2 0.255 4.213 3.960 -0.003 0.000 0.280 2232 G HA3 0.255 4.213 3.960 -0.003 0.000 0.280 2232 G C 1.216 176.108 174.900 -0.014 0.000 1.386 2232 G CA 0.130 45.340 45.100 0.185 0.000 1.047 2232 G HN 0.412 nan 8.290 nan 0.000 0.527 2233 T N -3.047 111.450 114.554 -0.094 0.000 2.809 2233 T HA -0.048 4.300 4.350 -0.003 0.000 0.260 2233 T C 1.680 176.284 174.700 -0.161 0.000 1.039 2233 T CA 1.389 63.319 62.100 -0.284 0.000 1.141 2233 T CB -0.009 68.704 68.868 -0.257 0.000 0.869 2233 T HN 0.265 nan 8.240 nan 0.000 0.437 2234 Q N 0.499 120.250 119.800 -0.082 0.000 2.247 2234 Q HA 0.390 4.728 4.340 -0.003 0.000 0.211 2234 Q C 0.357 176.327 176.000 -0.051 0.000 0.861 2234 Q CA 0.264 56.030 55.803 -0.062 0.000 0.949 2234 Q CB 1.164 29.880 28.738 -0.037 0.000 1.115 2234 Q HN 0.621 nan 8.270 nan 0.000 0.507 2235 T N -1.074 113.452 114.554 -0.046 0.000 2.770 2235 T HA 0.413 4.762 4.350 -0.003 0.000 0.323 2235 T C -1.772 172.912 174.700 -0.026 0.000 1.683 2235 T CA -0.475 61.602 62.100 -0.039 0.000 1.024 2235 T CB 1.197 70.056 68.868 -0.015 0.000 1.557 2235 T HN -0.213 nan 8.240 nan 0.000 0.494 2236 V N 2.986 122.878 119.914 -0.037 0.000 2.555 2236 V HA 0.606 4.724 4.120 -0.003 0.000 0.302 2236 V C 0.270 176.373 176.094 0.016 0.000 1.038 2236 V CA -0.777 61.513 62.300 -0.017 0.000 0.887 2236 V CB 1.874 33.650 31.823 -0.078 0.000 0.991 2236 V HN 1.042 nan 8.190 nan 0.000 0.434 2237 T N 5.610 120.198 114.554 0.056 0.000 2.771 2237 T HA 0.646 4.994 4.350 -0.003 0.000 0.291 2237 T C -0.579 174.163 174.700 0.070 0.000 0.954 2237 T CA -0.415 61.730 62.100 0.074 0.000 1.045 2237 T CB 0.971 69.910 68.868 0.119 0.000 0.917 2237 T HN 0.196 nan 8.240 nan 0.000 0.484 2238 L N 3.150 124.374 121.223 0.001 0.000 2.313 2238 L HA 0.812 5.151 4.340 -0.003 0.000 0.283 2238 L C 0.613 177.342 176.870 -0.235 0.000 1.013 2238 L CA 0.036 54.821 54.840 -0.092 0.000 0.816 2238 L CB 1.310 43.341 42.059 -0.046 0.000 1.236 2238 L HN 0.962 nan 8.230 nan 0.000 0.419 2239 G N 0.400 108.834 108.800 -0.610 0.000 2.727 2239 G HA2 0.618 4.576 3.960 -0.003 0.000 0.289 2239 G HA3 0.618 4.576 3.960 -0.003 0.000 0.289 2239 G C -0.230 174.098 174.900 -0.953 0.000 1.418 2239 G CA -0.112 44.433 45.100 -0.925 0.000 0.818 2239 G HN 0.817 nan 8.290 nan 0.000 0.486 2240 G N -1.379 107.075 108.800 -0.576 0.000 3.698 2240 G HA2 0.164 4.122 3.960 -0.003 0.000 0.222 2240 G HA3 0.164 4.122 3.960 -0.003 0.000 0.222 2240 G C -0.781 174.127 174.900 0.013 0.000 0.908 2240 G CA -0.262 44.721 45.100 -0.195 0.000 1.077 2240 G HN 0.620 nan 8.290 nan 0.000 0.709 2241 I N 1.301 121.901 120.570 0.052 0.000 2.382 2241 I HA 0.679 4.848 4.170 -0.003 0.000 0.286 2241 I C -1.204 175.036 176.117 0.205 0.000 1.002 2241 I CA -1.357 60.008 61.300 0.108 0.000 1.135 2241 I CB 1.436 39.459 38.000 0.039 0.000 1.288 2241 I HN 0.068 nan 8.210 nan 0.000 0.448 2242 F N 6.241 126.248 119.950 0.096 0.000 2.577 2242 F HA 0.530 5.055 4.527 -0.002 0.000 0.344 2242 F C -0.686 175.156 175.800 0.071 0.000 1.145 2242 F CA -0.278 57.787 58.000 0.108 0.000 0.996 2242 F CB 1.183 40.281 39.000 0.162 0.000 1.248 2242 F HN 0.387 nan 8.300 nan 0.000 0.447 2243 Q N 6.627 126.448 119.800 0.034 0.000 2.401 2243 Q HA 0.339 4.678 4.340 -0.003 0.000 0.260 2243 Q C -1.023 174.957 176.000 -0.034 0.000 1.034 2243 Q CA -0.616 55.230 55.803 0.072 0.000 0.737 2243 Q CB 2.214 30.980 28.738 0.046 0.000 1.227 2243 Q HN 0.576 nan 8.270 nan 0.000 0.488 2244 L N 2.401 123.687 121.223 0.106 0.000 2.433 2244 L HA 0.237 4.576 4.340 -0.003 0.000 0.275 2244 L C 0.838 177.691 176.870 -0.028 0.000 1.128 2244 L CA 1.577 56.453 54.840 0.061 0.000 0.875 2244 L CB -0.103 42.102 42.059 0.244 0.000 1.171 2244 L HN 1.039 nan 8.230 nan 0.000 0.463 2245 G N 3.922 112.622 108.800 -0.167 0.000 2.339 2245 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.209 2245 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.209 2245 G C 0.518 175.271 174.900 -0.246 0.000 1.015 2245 G CA -0.012 44.986 45.100 -0.169 0.000 0.635 2245 G HN 0.623 nan 8.290 nan 0.000 0.499 2246 N N 0.591 119.183 118.700 -0.180 0.000 2.434 2246 N HA 0.184 4.922 4.740 -0.003 0.000 0.268 2246 N C 0.368 175.737 175.510 -0.236 0.000 1.256 2246 N CA -0.046 52.950 53.050 -0.090 0.000 0.914 2246 N CB 0.007 38.500 38.487 0.010 0.000 1.088 2246 N HN 0.463 nan 8.380 nan 0.000 0.478 2247 W N 1.819 123.032 121.300 -0.145 0.000 3.239 2247 W HA 0.216 4.874 4.660 -0.002 0.000 0.348 2247 W C 0.963 177.412 176.519 -0.116 0.000 1.183 2247 W CA -0.498 56.616 57.345 -0.384 0.000 1.819 2247 W CB 0.278 29.563 29.460 -0.292 0.000 1.091 2247 W HN 0.426 nan 8.180 nan 0.000 0.629 2248 S N 1.693 117.573 115.700 0.301 0.000 2.430 2248 S HA 0.031 4.499 4.470 -0.003 0.000 0.282 2248 S C 0.237 175.138 174.600 0.502 0.000 1.186 2248 S CA -0.209 58.197 58.200 0.343 0.000 1.060 2248 S CB 0.385 63.712 63.200 0.212 0.000 0.966 2248 S HN 0.258 nan 8.310 nan 0.000 0.501 2249 E N 4.662 125.180 120.200 0.530 0.000 2.122 2249 E HA 0.353 4.701 4.350 -0.003 0.000 0.288 2249 E C -0.974 175.724 176.600 0.164 0.000 1.260 2249 E CA -0.269 56.336 56.400 0.341 0.000 1.344 2249 E CB 0.086 30.042 29.700 0.426 0.000 1.337 2249 E HN 0.634 nan 8.360 nan 0.000 0.484 2250 L N 2.262 123.558 121.223 0.122 0.000 2.543 2250 L HA 0.390 4.729 4.340 -0.003 0.000 0.265 2250 L C -1.198 175.709 176.870 0.060 0.000 0.945 2250 L CA -0.777 54.114 54.840 0.084 0.000 0.869 2250 L CB 1.604 43.720 42.059 0.094 0.000 1.294 2250 L HN 0.038 nan 8.230 nan 0.000 0.405 2251 N N 2.778 121.504 118.700 0.043 0.000 2.407 2251 N HA 0.045 4.783 4.740 -0.003 0.000 0.250 2251 N C -0.706 174.835 175.510 0.052 0.000 1.236 2251 N CA 0.272 53.348 53.050 0.043 0.000 0.879 2251 N CB 0.497 39.011 38.487 0.044 0.000 1.088 2251 N HN 0.640 nan 8.380 nan 0.000 0.450 2252 N N 1.628 120.366 118.700 0.063 0.000 2.479 2252 N HA 0.158 4.896 4.740 -0.003 0.000 0.261 2252 N C 0.730 176.287 175.510 0.079 0.000 0.979 2252 N CA -0.547 52.542 53.050 0.064 0.000 0.930 2252 N CB 0.594 39.121 38.487 0.066 0.000 1.172 2252 N HN 0.418 nan 8.380 nan 0.000 0.499 2253 I N 2.591 123.187 120.570 0.044 0.000 2.479 2253 I HA -0.240 3.929 4.170 -0.003 0.000 0.258 2253 I C 1.722 177.880 176.117 0.069 0.000 1.165 2253 I CA 1.618 62.929 61.300 0.019 0.000 1.422 2253 I CB 0.059 38.046 38.000 -0.022 0.000 1.087 2253 I HN 0.689 nan 8.210 nan 0.000 0.441 2254 Q N -0.010 119.834 119.800 0.074 0.000 2.204 2254 Q HA -0.068 4.271 4.340 -0.003 0.000 0.198 2254 Q C 1.571 177.630 176.000 0.098 0.000 0.946 2254 Q CA 1.365 57.215 55.803 0.080 0.000 0.859 2254 Q CB -0.115 28.660 28.738 0.061 0.000 0.946 2254 Q HN 0.451 nan 8.270 nan 0.000 0.474 2255 D N -1.310 119.147 120.400 0.095 0.000 2.363 2255 D HA -0.077 4.561 4.640 -0.003 0.000 0.226 2255 D C 1.184 177.544 176.300 0.101 0.000 1.020 2255 D CA 0.474 54.524 54.000 0.083 0.000 0.892 2255 D CB 0.040 40.877 40.800 0.062 0.000 0.900 2255 D HN 0.469 nan 8.370 nan 0.000 0.531 2256 H N 0.771 119.863 119.070 0.037 0.000 2.355 2256 H HA 0.033 4.588 4.556 -0.003 0.000 0.303 2256 H C 1.470 176.852 175.328 0.090 0.000 1.061 2256 H CA 1.354 57.427 56.048 0.042 0.000 1.368 2256 H CB 0.326 30.093 29.762 0.008 0.000 1.412 2256 H HN -0.082 nan 8.280 nan 0.000 0.523 2257 N N -0.182 118.684 118.700 0.277 0.000 2.409 2257 N HA -0.082 4.656 4.740 -0.003 0.000 0.179 2257 N C 1.469 177.077 175.510 0.163 0.000 1.032 2257 N CA 1.360 54.566 53.050 0.261 0.000 0.898 2257 N CB -0.282 38.343 38.487 0.230 0.000 0.971 2257 N HN 0.485 nan 8.380 nan 0.000 0.441 2258 T N 0.614 115.230 114.554 0.104 0.000 2.951 2258 T HA 0.079 4.428 4.350 -0.003 0.000 0.268 2258 T C 1.863 176.573 174.700 0.018 0.000 1.073 2258 T CA 0.365 62.501 62.100 0.060 0.000 1.134 2258 T CB 0.166 69.064 68.868 0.051 0.000 0.884 2258 T HN 0.064 nan 8.240 nan 0.000 0.479 2259 I N -0.188 120.380 120.570 -0.003 0.000 2.333 2259 I HA 0.004 4.173 4.170 -0.003 0.000 0.246 2259 I C 2.178 178.293 176.117 -0.004 0.000 1.106 2259 I CA 0.711 61.977 61.300 -0.056 0.000 1.411 2259 I CB -1.061 36.881 38.000 -0.097 0.000 1.082 2259 I HN 0.454 nan 8.210 nan 0.000 0.420 2260 W N 2.283 123.483 121.300 -0.167 0.000 2.484 2260 W HA -0.184 4.475 4.660 -0.003 0.000 0.320 2260 W C 2.286 178.782 176.519 -0.039 0.000 1.159 2260 W CA 0.996 58.270 57.345 -0.118 0.000 1.352 2260 W CB -0.273 29.109 29.460 -0.130 0.000 1.185 2260 W HN 0.041 nan 8.180 nan 0.000 0.470 2261 E N 0.085 120.350 120.200 0.109 0.000 2.253 2261 E HA -0.189 4.159 4.350 -0.003 0.000 0.202 2261 E C 2.176 178.740 176.600 -0.060 0.000 1.014 2261 E CA 2.223 58.631 56.400 0.014 0.000 0.823 2261 E CB -0.862 28.905 29.700 0.112 0.000 0.736 2261 E HN 0.412 nan 8.360 nan 0.000 0.478 2262 G N -0.684 108.085 108.800 -0.052 0.000 2.425 2262 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.213 2262 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.213 2262 G C 1.704 176.547 174.900 -0.096 0.000 1.201 2262 G CA 0.749 45.819 45.100 -0.050 0.000 0.799 2262 G HN 0.373 nan 8.290 nan 0.000 0.534 2263 C N 0.030 119.237 119.300 -0.155 0.000 2.435 2263 C HA 0.015 4.474 4.460 -0.003 0.000 0.279 2263 C C 3.076 177.934 174.990 -0.219 0.000 1.321 2263 C CA 0.292 59.207 59.018 -0.171 0.000 1.752 2263 C CB -1.228 26.403 27.740 -0.182 0.000 1.959 2263 C HN 0.580 nan 8.230 nan 0.000 0.500 2264 C N 0.254 119.337 119.300 -0.363 0.000 2.432 2264 C HA -0.123 4.336 4.460 -0.003 0.000 0.277 2264 C C 2.857 177.740 174.990 -0.178 0.000 1.249 2264 C CA 1.125 59.901 59.018 -0.402 0.000 1.725 2264 C CB -1.281 26.063 27.740 -0.659 0.000 2.028 2264 C HN 0.616 nan 8.230 nan 0.000 0.477 2265 R N 0.168 120.600 120.500 -0.112 0.000 2.357 2265 R HA 0.027 4.365 4.340 -0.003 0.000 0.202 2265 R C 1.828 178.139 176.300 0.018 0.000 1.047 2265 R CA 0.643 56.726 56.100 -0.028 0.000 1.034 2265 R CB -0.153 30.147 30.300 0.000 0.000 0.875 2265 R HN 0.547 nan 8.270 nan 0.000 0.473 2266 L N -0.510 120.714 121.223 0.002 0.000 2.349 2266 L HA 0.136 4.474 4.340 -0.003 0.000 0.200 2266 L C 0.026 176.965 176.870 0.116 0.000 1.064 2266 L CA 0.628 55.504 54.840 0.060 0.000 0.821 2266 L CB 0.444 42.492 42.059 -0.019 0.000 1.027 2266 L HN 0.063 nan 8.230 nan 0.000 0.476 2267 E N 0.228 120.457 120.200 0.049 0.000 3.037 2267 E HA 0.188 4.536 4.350 -0.003 0.000 0.220 2267 E C -1.889 174.731 176.600 0.034 0.000 1.142 2267 E CA -2.359 54.092 56.400 0.085 0.000 0.888 2267 E CB 0.778 30.545 29.700 0.111 0.000 1.329 2267 E HN 0.023 nan 8.360 nan 0.000 0.409 2268 P HA -0.227 nan 4.420 nan 0.000 0.219 2268 P C 1.066 178.384 177.300 0.031 0.000 1.144 2268 P CA 1.399 64.495 63.100 -0.007 0.000 0.806 2268 P CB -0.168 31.529 31.700 -0.005 0.000 0.771 2269 T N -3.220 111.391 114.554 0.095 0.000 2.946 2269 T HA -0.132 4.216 4.350 -0.003 0.000 0.271 2269 T C 1.586 176.480 174.700 0.324 0.000 1.104 2269 T CA 0.683 62.895 62.100 0.186 0.000 1.114 2269 T CB -0.866 68.198 68.868 0.327 0.000 0.867 2269 T HN -0.029 nan 8.240 nan 0.000 0.513 2270 L N -0.179 121.139 121.223 0.160 0.000 2.558 2270 L HA 0.441 4.779 4.340 -0.003 0.000 0.225 2270 L C 2.252 179.130 176.870 0.013 0.000 1.128 2270 L CA 0.784 55.669 54.840 0.074 0.000 0.868 2270 L CB -0.410 41.568 42.059 -0.135 0.000 1.006 2270 L HN 0.085 nan 8.230 nan 0.000 0.454 2271 K N -0.223 120.200 120.400 0.039 0.000 2.209 2271 K HA -0.037 4.281 4.320 -0.003 0.000 0.204 2271 K C 1.468 178.264 176.600 0.326 0.000 1.048 2271 K CA 1.287 57.654 56.287 0.134 0.000 0.940 2271 K CB -0.042 32.518 32.500 0.099 0.000 0.729 2271 K HN 0.388 nan 8.250 nan 0.000 0.451 2272 N N -0.442 118.426 118.700 0.280 0.000 2.205 2272 N HA 0.128 4.866 4.740 -0.003 0.000 0.201 2272 N C -0.530 175.163 175.510 0.306 0.000 1.128 2272 N CA 0.019 53.230 53.050 0.268 0.000 0.867 2272 N CB 0.665 39.260 38.487 0.180 0.000 0.996 2272 N HN 0.070 nan 8.380 nan 0.000 0.503 2273 A N 1.567 124.605 122.820 0.363 0.000 2.507 2273 A HA 0.141 4.459 4.320 -0.003 0.000 0.235 2273 A C 0.524 178.259 177.584 0.251 0.000 1.070 2273 A CA 0.196 52.405 52.037 0.287 0.000 0.768 2273 A CB 0.283 19.397 19.000 0.191 0.000 1.011 2273 A HN 0.238 nan 8.150 nan 0.000 0.502 2274 R N 0.862 121.453 120.500 0.152 0.000 2.349 2274 R HA 0.490 4.828 4.340 -0.003 0.000 0.299 2274 R C -0.594 175.754 176.300 0.081 0.000 1.027 2274 R CA -0.295 55.865 56.100 0.099 0.000 0.958 2274 R CB 0.283 30.623 30.300 0.066 0.000 1.047 2274 R HN 0.614 nan 8.270 nan 0.000 0.468 2275 I N 6.411 127.003 120.570 0.036 0.000 2.452 2275 I HA 0.034 4.203 4.170 -0.003 0.000 0.287 2275 I C 0.645 176.774 176.117 0.019 0.000 1.079 2275 I CA -0.164 61.149 61.300 0.022 0.000 1.387 2275 I CB 0.740 38.719 38.000 -0.034 0.000 1.404 2275 I HN 0.606 nan 8.210 nan 0.000 0.522 2276 I N 4.081 124.665 120.570 0.025 0.000 3.616 2276 I HA 0.357 4.526 4.170 -0.003 0.000 0.296 2276 I C 1.055 177.181 176.117 0.016 0.000 1.226 2276 I CA 0.348 61.658 61.300 0.017 0.000 1.394 2276 I CB -0.599 37.410 38.000 0.014 0.000 1.171 2276 I HN 0.665 nan 8.210 nan 0.000 0.442 2277 G N 0.576 109.389 108.800 0.021 0.000 2.576 2277 G HA2 0.546 4.505 3.960 -0.003 0.000 0.290 2277 G HA3 0.546 4.505 3.960 -0.003 0.000 0.290 2277 G C -1.639 173.276 174.900 0.027 0.000 1.442 2277 G CA -0.323 44.789 45.100 0.021 0.000 0.792 2277 G HN 0.022 nan 8.290 nan 0.000 0.491 2278 E N -0.482 119.734 120.200 0.027 0.000 2.321 2278 E HA 0.590 4.939 4.350 -0.003 0.000 0.281 2278 E C -0.842 175.769 176.600 0.018 0.000 0.910 2278 E CA -0.672 55.746 56.400 0.030 0.000 0.770 2278 E CB 1.999 31.735 29.700 0.061 0.000 1.225 2278 E HN 0.521 nan 8.360 nan 0.000 0.417 2279 R N 1.286 121.789 120.500 0.004 0.000 2.781 2279 R HA 0.602 4.941 4.340 -0.003 0.000 0.269 2279 R C -1.210 175.065 176.300 -0.042 0.000 1.025 2279 R CA -0.856 55.237 56.100 -0.012 0.000 0.914 2279 R CB 2.468 32.763 30.300 -0.010 0.000 1.236 2279 R HN 0.454 nan 8.270 nan 0.000 0.465 2280 T N -0.325 114.181 114.554 -0.080 0.000 2.906 2280 T HA 0.799 5.147 4.350 -0.003 0.000 0.295 2280 T C -0.668 173.845 174.700 -0.310 0.000 1.075 2280 T CA -0.785 61.216 62.100 -0.166 0.000 1.005 2280 T CB 2.215 71.000 68.868 -0.137 0.000 1.136 2280 T HN 0.776 nan 8.240 nan 0.000 0.498 2281 G N 0.657 109.147 108.800 -0.516 0.000 2.547 2281 G HA2 0.574 4.532 3.960 -0.003 0.000 0.291 2281 G HA3 0.574 4.532 3.960 -0.003 0.000 0.291 2281 G C -2.194 172.226 174.900 -0.799 0.000 1.471 2281 G CA -0.796 43.892 45.100 -0.688 0.000 0.798 2281 G HN 0.466 nan 8.290 nan 0.000 0.504 2282 F N 0.552 120.380 119.950 -0.204 0.000 2.444 2282 F HA 0.592 5.117 4.527 -0.003 0.000 0.342 2282 F C 0.878 176.472 175.800 -0.343 0.000 1.121 2282 F CA -0.952 56.832 58.000 -0.359 0.000 0.997 2282 F CB 1.927 40.602 39.000 -0.541 0.000 1.130 2282 F HN 0.085 nan 8.300 nan 0.000 0.454 2283 R N 3.332 123.726 120.500 -0.176 0.000 2.296 2283 R HA 0.218 4.556 4.340 -0.003 0.000 0.323 2283 R C -2.358 173.874 176.300 -0.114 0.000 1.067 2283 R CA -1.595 54.423 56.100 -0.135 0.000 0.946 2283 R CB 0.281 30.495 30.300 -0.142 0.000 0.991 2283 R HN 0.253 nan 8.270 nan 0.000 0.448 2284 P HA -0.045 nan 4.420 nan 0.000 0.229 2284 P C -0.375 176.943 177.300 0.029 0.000 1.597 2284 P CA 0.216 63.305 63.100 -0.018 0.000 1.030 2284 P CB -0.061 31.668 31.700 0.048 0.000 1.897 2285 V N 2.294 122.233 119.914 0.041 0.000 2.655 2285 V HA 0.146 4.264 4.120 -0.003 0.000 0.300 2285 V C 0.905 177.062 176.094 0.105 0.000 1.044 2285 V CA 0.524 62.916 62.300 0.152 0.000 1.095 2285 V CB 0.122 32.083 31.823 0.230 0.000 0.952 2285 V HN 0.397 nan 8.190 nan 0.000 0.485 2286 R N 4.618 125.188 120.500 0.115 0.000 2.764 2286 R HA 0.275 4.614 4.340 -0.003 0.000 0.250 2286 R C -2.487 173.851 176.300 0.064 0.000 1.122 2286 R CA -0.907 55.230 56.100 0.062 0.000 1.022 2286 R CB 1.577 31.871 30.300 -0.011 0.000 1.266 2286 R HN 0.418 nan 8.270 nan 0.000 0.454 2287 P HA -0.248 nan 4.420 nan 0.000 0.222 2287 P C -0.794 176.525 177.300 0.031 0.000 1.155 2287 P CA 1.576 64.704 63.100 0.048 0.000 0.890 2287 P CB 0.110 31.828 31.700 0.030 0.000 0.790 2288 Q N -2.809 116.990 119.800 -0.002 0.000 2.438 2288 Q HA 0.363 4.701 4.340 -0.003 0.000 0.272 2288 Q C -0.955 175.000 176.000 -0.076 0.000 0.994 2288 Q CA -0.838 54.961 55.803 -0.006 0.000 0.887 2288 Q CB 0.455 29.196 28.738 0.005 0.000 1.432 2288 Q HN -0.145 nan 8.270 nan 0.000 0.392 2289 I N 1.899 122.419 120.570 -0.083 0.000 2.919 2289 I HA -0.107 4.062 4.170 -0.003 0.000 0.303 2289 I C 0.557 176.524 176.117 -0.249 0.000 1.221 2289 I CA 0.581 61.720 61.300 -0.267 0.000 1.444 2289 I CB 0.182 38.009 38.000 -0.289 0.000 1.331 2289 I HN 0.590 nan 8.210 nan 0.000 0.572 2290 R N 6.319 126.535 120.500 -0.473 0.000 2.220 2290 R HA 0.351 4.689 4.340 -0.003 0.000 0.340 2290 R C -1.079 175.094 176.300 -0.211 0.000 1.076 2290 R CA -0.551 55.312 56.100 -0.395 0.000 0.920 2290 R CB 0.311 30.163 30.300 -0.747 0.000 1.062 2290 R HN 0.459 nan 8.270 nan 0.000 0.469 2291 L N 4.864 126.043 121.223 -0.074 0.000 2.480 2291 L HA 0.391 4.729 4.340 -0.003 0.000 0.253 2291 L C -1.591 175.298 176.870 0.031 0.000 1.324 2291 L CA -0.042 54.771 54.840 -0.045 0.000 0.916 2291 L CB 0.952 42.901 42.059 -0.183 0.000 1.160 2291 L HN 0.706 nan 8.230 nan 0.000 0.503 2292 E N 1.180 121.414 120.200 0.057 0.000 2.458 2292 E HA 0.608 4.956 4.350 -0.003 0.000 0.278 2292 E C -1.032 175.592 176.600 0.041 0.000 1.004 2292 E CA -1.082 55.353 56.400 0.058 0.000 0.823 2292 E CB 1.405 31.145 29.700 0.067 0.000 1.396 2292 E HN 0.205 nan 8.360 nan 0.000 0.463 2293 R N 0.500 121.009 120.500 0.015 0.000 2.528 2293 R HA 0.486 4.825 4.340 -0.003 0.000 0.271 2293 R C -0.580 175.711 176.300 -0.016 0.000 1.056 2293 R CA -0.472 55.613 56.100 -0.026 0.000 1.117 2293 R CB 1.058 31.336 30.300 -0.037 0.000 1.085 2293 R HN 0.549 nan 8.270 nan 0.000 0.530 2294 E N 1.082 121.239 120.200 -0.071 0.000 2.321 2294 E HA 0.072 4.421 4.350 -0.003 0.000 0.278 2294 E C -1.358 175.191 176.600 -0.085 0.000 0.902 2294 E CA -0.748 55.622 56.400 -0.050 0.000 0.758 2294 E CB 1.387 31.077 29.700 -0.017 0.000 1.213 2294 E HN 0.386 nan 8.360 nan 0.000 0.426 2295 Q N 4.189 123.959 119.800 -0.048 0.000 2.456 2295 Q HA 0.249 4.587 4.340 -0.003 0.000 0.234 2295 Q C -0.337 175.642 176.000 -0.035 0.000 1.061 2295 Q CA -0.646 55.126 55.803 -0.051 0.000 0.896 2295 Q CB 0.868 29.584 28.738 -0.036 0.000 1.233 2295 Q HN 0.453 nan 8.270 nan 0.000 0.506 2296 L N 3.056 124.246 121.223 -0.055 0.000 2.462 2296 L HA 0.055 4.393 4.340 -0.003 0.000 0.272 2296 L C 0.270 177.141 176.870 0.002 0.000 1.166 2296 L CA 0.321 55.150 54.840 -0.019 0.000 0.880 2296 L CB 0.336 42.366 42.059 -0.048 0.000 1.142 2296 L HN 0.425 nan 8.230 nan 0.000 0.473 2297 R N 4.098 124.612 120.500 0.023 0.000 2.488 2297 R HA 0.098 4.436 4.340 -0.003 0.000 0.306 2297 R C -0.069 176.246 176.300 0.025 0.000 1.271 2297 R CA -0.033 56.079 56.100 0.020 0.000 1.022 2297 R CB -0.534 29.781 30.300 0.025 0.000 1.054 2297 R HN 0.679 nan 8.270 nan 0.000 0.500 2298 T N 0.568 115.130 114.554 0.014 0.000 2.862 2298 T HA 0.219 4.567 4.350 -0.003 0.000 0.276 2298 T C 1.646 176.352 174.700 0.010 0.000 0.974 2298 T CA -0.267 61.843 62.100 0.015 0.000 0.966 2298 T CB 1.556 70.428 68.868 0.007 0.000 1.072 2298 T HN 0.645 nan 8.240 nan 0.000 0.538 2299 G N 1.368 110.174 108.800 0.010 0.000 2.910 2299 G HA2 -0.096 3.863 3.960 -0.003 0.000 0.206 2299 G HA3 -0.096 3.863 3.960 -0.003 0.000 0.206 2299 G C -0.933 173.968 174.900 0.002 0.000 1.406 2299 G CA 0.674 45.778 45.100 0.007 0.000 0.816 2299 G HN 0.560 nan 8.290 nan 0.000 0.669 2300 P HA -0.013 nan 4.420 nan 0.000 0.205 2300 P C 2.033 179.330 177.300 -0.005 0.000 1.193 2300 P CA 2.254 65.353 63.100 -0.003 0.000 0.929 2300 P CB -0.297 31.400 31.700 -0.004 0.000 0.772 2301 S N -0.978 114.717 115.700 -0.008 0.000 3.651 2301 S HA 0.311 4.779 4.470 -0.003 0.000 0.201 2301 S C 0.164 174.757 174.600 -0.011 0.000 1.028 2301 S CA -0.195 57.998 58.200 -0.012 0.000 1.564 2301 S CB -0.624 62.566 63.200 -0.017 0.000 0.787 2301 S HN 0.304 nan 8.310 nan 0.000 0.627 2302 N N -0.992 117.698 118.700 -0.018 0.000 2.927 2302 N HA 0.457 5.196 4.740 -0.003 0.000 0.248 2302 N C -1.875 173.616 175.510 -0.031 0.000 1.443 2302 N CA -0.492 52.546 53.050 -0.019 0.000 0.870 2302 N CB 1.062 39.537 38.487 -0.020 0.000 1.444 2302 N HN 0.725 nan 8.380 nan 0.000 0.519 2303 T N -2.519 112.012 114.554 -0.038 0.000 2.807 2303 T HA 0.483 4.831 4.350 -0.003 0.000 0.279 2303 T C -0.570 174.077 174.700 -0.089 0.000 0.993 2303 T CA -0.858 61.207 62.100 -0.057 0.000 0.970 2303 T CB 1.413 70.251 68.868 -0.050 0.000 0.950 2303 T HN 0.367 nan 8.240 nan 0.000 0.441 2304 E N 1.874 122.017 120.200 -0.095 0.000 2.338 2304 E HA 0.419 4.767 4.350 -0.003 0.000 0.272 2304 E C -0.658 175.847 176.600 -0.158 0.000 1.029 2304 E CA -0.364 55.966 56.400 -0.117 0.000 0.872 2304 E CB 1.772 31.408 29.700 -0.107 0.000 1.015 2304 E HN 0.482 nan 8.360 nan 0.000 0.417 2305 V N 4.751 124.534 119.914 -0.219 0.000 2.623 2305 V HA 0.336 4.455 4.120 -0.003 0.000 0.304 2305 V C -0.071 175.829 176.094 -0.324 0.000 1.054 2305 V CA -0.642 61.449 62.300 -0.347 0.000 0.882 2305 V CB 1.752 33.210 31.823 -0.608 0.000 1.002 2305 V HN 0.520 nan 8.190 nan 0.000 0.424 2306 I N 4.158 124.581 120.570 -0.245 0.000 2.304 2306 I HA 0.375 4.543 4.170 -0.003 0.000 0.291 2306 I C -0.114 175.913 176.117 -0.150 0.000 1.018 2306 I CA -0.299 60.913 61.300 -0.148 0.000 1.260 2306 I CB 0.726 38.698 38.000 -0.047 0.000 1.390 2306 I HN 0.627 nan 8.210 nan 0.000 0.475 2307 H N 5.253 124.329 119.070 0.010 0.000 2.604 2307 H HA 0.248 4.802 4.556 -0.003 0.000 0.306 2307 H C -0.191 175.196 175.328 0.098 0.000 1.075 2307 H CA -0.324 55.788 56.048 0.107 0.000 1.357 2307 H CB 0.686 30.548 29.762 0.167 0.000 1.426 2307 H HN 0.382 nan 8.280 nan 0.000 0.470 2308 N N 4.380 123.275 118.700 0.325 0.000 2.716 2308 N HA 0.105 4.843 4.740 -0.003 0.000 0.253 2308 N C -1.838 173.921 175.510 0.415 0.000 1.170 2308 N CA -0.541 52.648 53.050 0.233 0.000 0.807 2308 N CB 0.202 38.777 38.487 0.146 0.000 1.183 2308 N HN 0.590 nan 8.380 nan 0.000 0.524 2309 Y N -1.459 118.898 120.300 0.094 0.000 2.624 2309 Y HA 0.657 5.206 4.550 -0.002 0.000 0.334 2309 Y C 0.519 176.309 175.900 -0.184 0.000 1.155 2309 Y CA -0.767 57.380 58.100 0.078 0.000 1.046 2309 Y CB 1.041 39.567 38.460 0.111 0.000 1.316 2309 Y HN 0.182 nan 8.280 nan 0.000 0.457 2310 G N 1.083 109.801 108.800 -0.137 0.000 2.145 2310 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.145 2310 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.145 2310 G C -0.361 174.328 174.900 -0.351 0.000 1.017 2310 G CA 0.114 45.054 45.100 -0.266 0.000 0.682 2310 G HN 0.991 nan 8.290 nan 0.000 0.504 2311 H N 0.484 119.428 119.070 -0.210 0.000 2.539 2311 H HA 0.436 4.990 4.556 -0.003 0.000 0.267 2311 H C 2.294 177.207 175.328 -0.691 0.000 0.982 2311 H CA 0.999 56.726 56.048 -0.534 0.000 1.146 2311 H CB 0.049 29.591 29.762 -0.367 0.000 1.382 2311 H HN 0.952 nan 8.280 nan 0.000 0.577 2312 G N 0.968 109.666 108.800 -0.169 0.000 2.627 2312 G HA2 -0.427 3.531 3.960 -0.003 0.000 0.400 2312 G HA3 -0.427 3.531 3.960 -0.003 0.000 0.400 2312 G C 1.795 176.761 174.900 0.110 0.000 1.334 2312 G CA 0.610 45.731 45.100 0.035 0.000 0.960 2312 G HN 0.575 nan 8.290 nan 0.000 0.533 2313 G N -0.723 108.386 108.800 0.515 0.000 2.653 2313 G HA2 0.189 4.148 3.960 -0.003 0.000 0.212 2313 G HA3 0.189 4.148 3.960 -0.003 0.000 0.212 2313 G C 0.904 176.053 174.900 0.415 0.000 1.138 2313 G CA 1.813 47.241 45.100 0.547 0.000 0.782 2313 G HN 1.480 nan 8.290 nan 0.000 0.535 2314 Y N -2.795 117.639 120.300 0.224 0.000 2.742 2314 Y HA 0.528 5.077 4.550 -0.002 0.000 0.248 2314 Y C 1.540 177.480 175.900 0.066 0.000 1.132 2314 Y CA -1.214 56.937 58.100 0.084 0.000 1.142 2314 Y CB -0.412 38.064 38.460 0.027 0.000 1.222 2314 Y HN -0.045 nan 8.280 nan 0.000 0.575 2315 G N 2.536 111.291 108.800 -0.076 0.000 2.863 2315 G HA2 -0.303 3.656 3.960 -0.003 0.000 0.217 2315 G HA3 -0.303 3.656 3.960 -0.003 0.000 0.217 2315 G C 1.443 176.382 174.900 0.065 0.000 1.315 2315 G CA 1.997 47.066 45.100 -0.053 0.000 0.796 2315 G HN 0.341 nan 8.290 nan 0.000 0.669 2316 L N 0.716 121.982 121.223 0.072 0.000 2.064 2316 L HA -0.193 4.146 4.340 -0.003 0.000 0.216 2316 L C 3.150 180.182 176.870 0.269 0.000 1.077 2316 L CA 2.584 57.500 54.840 0.127 0.000 0.766 2316 L CB -1.911 40.161 42.059 0.022 0.000 0.890 2316 L HN 0.320 nan 8.230 nan 0.000 0.435 2317 T N -0.192 114.452 114.554 0.151 0.000 2.607 2317 T HA -0.247 4.101 4.350 -0.003 0.000 0.267 2317 T C 1.888 176.754 174.700 0.277 0.000 1.049 2317 T CA 1.815 63.951 62.100 0.060 0.000 1.162 2317 T CB -0.187 68.481 68.868 -0.333 0.000 0.863 2317 T HN 0.275 nan 8.240 nan 0.000 0.424 2318 I N 0.622 121.369 120.570 0.295 0.000 3.728 2318 I HA 0.013 4.181 4.170 -0.003 0.000 0.307 2318 I C 2.202 178.465 176.117 0.244 0.000 1.276 2318 I CA 0.388 61.899 61.300 0.352 0.000 1.285 2318 I CB -0.109 38.179 38.000 0.480 0.000 1.038 2318 I HN 0.441 nan 8.210 nan 0.000 0.445 2319 H N 0.005 119.192 119.070 0.195 0.000 2.297 2319 H HA -0.350 4.204 4.556 -0.003 0.000 0.289 2319 H C 2.067 177.514 175.328 0.198 0.000 1.105 2319 H CA 2.680 58.799 56.048 0.120 0.000 1.219 2319 H CB -1.066 28.800 29.762 0.174 0.000 1.351 2319 H HN 0.553 nan 8.280 nan 0.000 0.481 2320 W N 2.536 123.127 121.300 -1.182 0.000 2.352 2320 W HA -0.164 4.494 4.660 -0.003 0.000 0.322 2320 W C 2.678 179.003 176.519 -0.323 0.000 1.208 2320 W CA 1.587 58.445 57.345 -0.812 0.000 1.286 2320 W CB -0.767 28.304 29.460 -0.649 0.000 1.167 2320 W HN 0.469 nan 8.180 nan 0.000 0.469 2321 G N 0.985 109.702 108.800 -0.138 0.000 2.649 2321 G HA2 -0.428 3.530 3.960 -0.003 0.000 0.220 2321 G HA3 -0.428 3.530 3.960 -0.003 0.000 0.220 2321 G C 1.469 176.093 174.900 -0.459 0.000 1.189 2321 G CA 2.047 47.064 45.100 -0.138 0.000 0.777 2321 G HN 0.426 nan 8.290 nan 0.000 0.602 2322 C N 0.946 119.939 119.300 -0.511 0.000 2.367 2322 C HA -0.008 4.450 4.460 -0.003 0.000 0.276 2322 C C 3.560 178.255 174.990 -0.492 0.000 1.195 2322 C CA 1.413 60.033 59.018 -0.664 0.000 1.756 2322 C CB -1.346 26.192 27.740 -0.336 0.000 2.046 2322 C HN 0.668 nan 8.230 nan 0.000 0.453 2323 A N 0.327 122.891 122.820 -0.427 0.000 1.915 2323 A HA -0.231 4.087 4.320 -0.003 0.000 0.220 2323 A C 2.102 179.403 177.584 -0.472 0.000 1.198 2323 A CA 2.204 53.990 52.037 -0.419 0.000 0.647 2323 A CB -0.750 17.963 19.000 -0.479 0.000 0.825 2323 A HN 0.668 nan 8.150 nan 0.000 0.456 2324 L N -1.376 119.470 121.223 -0.628 0.000 2.056 2324 L HA -0.175 4.163 4.340 -0.003 0.000 0.207 2324 L C 2.658 179.397 176.870 -0.218 0.000 1.078 2324 L CA 1.631 56.208 54.840 -0.437 0.000 0.749 2324 L CB -0.509 41.276 42.059 -0.456 0.000 0.901 2324 L HN 0.481 nan 8.230 nan 0.000 0.433 2325 E N 0.766 120.819 120.200 -0.245 0.000 2.023 2325 E HA -0.255 4.093 4.350 -0.003 0.000 0.196 2325 E C 2.158 178.696 176.600 -0.103 0.000 1.003 2325 E CA 1.812 58.131 56.400 -0.135 0.000 0.809 2325 E CB -0.308 29.219 29.700 -0.287 0.000 0.755 2325 E HN 0.337 nan 8.360 nan 0.000 0.449 2326 A N 0.736 123.454 122.820 -0.171 0.000 1.927 2326 A HA -0.218 4.100 4.320 -0.003 0.000 0.220 2326 A C 2.453 180.033 177.584 -0.006 0.000 1.185 2326 A CA 2.852 54.834 52.037 -0.092 0.000 0.639 2326 A CB -1.210 17.718 19.000 -0.120 0.000 0.820 2326 A HN 0.436 nan 8.150 nan 0.000 0.451 2327 A N -1.066 121.746 122.820 -0.013 0.000 2.014 2327 A HA -0.046 4.272 4.320 -0.003 0.000 0.218 2327 A C 2.086 179.824 177.584 0.257 0.000 1.163 2327 A CA 1.706 53.819 52.037 0.128 0.000 0.652 2327 A CB -0.345 18.709 19.000 0.089 0.000 0.808 2327 A HN 0.568 nan 8.150 nan 0.000 0.449 2328 K N -0.186 120.297 120.400 0.139 0.000 2.057 2328 K HA -0.030 4.288 4.320 -0.003 0.000 0.206 2328 K C 1.837 178.494 176.600 0.095 0.000 1.050 2328 K CA 1.128 57.501 56.287 0.144 0.000 0.935 2328 K CB -0.274 32.278 32.500 0.087 0.000 0.715 2328 K HN 0.473 nan 8.250 nan 0.000 0.439 2329 L N 0.114 121.375 121.223 0.063 0.000 1.994 2329 L HA -0.191 4.148 4.340 -0.003 0.000 0.208 2329 L C 2.389 179.255 176.870 -0.007 0.000 1.071 2329 L CA 1.414 56.267 54.840 0.023 0.000 0.745 2329 L CB -0.574 41.497 42.059 0.019 0.000 0.892 2329 L HN 0.214 nan 8.230 nan 0.000 0.431 2330 F N 0.976 120.856 119.950 -0.116 0.000 2.225 2330 F HA -0.208 4.318 4.527 -0.003 0.000 0.302 2330 F C 2.028 177.630 175.800 -0.329 0.000 1.068 2330 F CA 1.343 59.225 58.000 -0.197 0.000 1.327 2330 F CB -0.504 38.382 39.000 -0.190 0.000 1.043 2330 F HN 0.007 nan 8.300 nan 0.000 0.506 2331 G N 0.386 109.033 108.800 -0.255 0.000 2.453 2331 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.215 2331 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.215 2331 G C 1.779 176.501 174.900 -0.297 0.000 1.201 2331 G CA 0.721 45.611 45.100 -0.350 0.000 0.784 2331 G HN 0.342 nan 8.290 nan 0.000 0.545 2332 R N -0.072 120.333 120.500 -0.160 0.000 2.139 2332 R HA -0.053 4.285 4.340 -0.003 0.000 0.243 2332 R C 2.551 178.737 176.300 -0.191 0.000 1.145 2332 R CA 1.098 57.120 56.100 -0.130 0.000 0.976 2332 R CB -0.432 29.826 30.300 -0.071 0.000 0.866 2332 R HN 0.426 nan 8.270 nan 0.000 0.449 2333 I N 0.709 121.106 120.570 -0.287 0.000 2.163 2333 I HA -0.293 3.876 4.170 -0.003 0.000 0.240 2333 I C 2.180 178.096 176.117 -0.336 0.000 1.081 2333 I CA 1.324 62.439 61.300 -0.309 0.000 1.353 2333 I CB -0.297 37.473 38.000 -0.383 0.000 1.054 2333 I HN 0.132 nan 8.210 nan 0.000 0.407 2334 L N 0.793 121.723 121.223 -0.488 0.000 2.261 2334 L HA -0.193 4.145 4.340 -0.003 0.000 0.216 2334 L C 2.085 178.821 176.870 -0.222 0.000 1.114 2334 L CA 1.200 55.805 54.840 -0.391 0.000 0.777 2334 L CB -0.553 41.208 42.059 -0.497 0.000 0.910 2334 L HN 0.448 nan 8.230 nan 0.000 0.440 2335 E N -0.777 119.311 120.200 -0.186 0.000 2.419 2335 E HA -0.013 4.335 4.350 -0.003 0.000 0.190 2335 E C 0.875 177.419 176.600 -0.093 0.000 1.040 2335 E CA 0.015 56.349 56.400 -0.109 0.000 0.900 2335 E CB 0.325 29.979 29.700 -0.076 0.000 1.054 2335 E HN 0.516 nan 8.360 nan 0.000 0.462 2336 E N 0.393 120.526 120.200 -0.111 0.000 2.406 2336 E HA 0.064 4.412 4.350 -0.003 0.000 0.204 2336 E C 1.200 177.749 176.600 -0.084 0.000 0.820 2336 E CA -0.060 56.287 56.400 -0.087 0.000 1.136 2336 E CB 0.335 29.981 29.700 -0.090 0.000 1.129 2336 E HN -0.058 nan 8.360 nan 0.000 0.530 2337 K N 1.401 121.737 120.400 -0.107 0.000 2.442 2337 K HA 0.020 4.339 4.320 -0.003 0.000 0.198 2337 K C -0.550 176.002 176.600 -0.080 0.000 1.044 2337 K CA 0.478 56.709 56.287 -0.094 0.000 0.948 2337 K CB -0.252 32.178 32.500 -0.116 0.000 0.762 2337 K HN -0.020 nan 8.250 nan 0.000 0.472 2338 K N 0.116 120.466 120.400 -0.083 0.000 6.865 2338 K HA -0.158 4.160 4.320 -0.003 0.000 0.761 2338 K C -0.928 175.635 176.600 -0.062 0.000 2.274 2338 K CA 0.295 56.543 56.287 -0.065 0.000 1.700 2338 K CB -0.735 31.737 32.500 -0.046 0.000 1.937 2338 K HN 0.077 nan 8.250 nan 0.000 0.307 2339 L N 1.137 122.324 121.223 -0.059 0.000 2.845 2339 L HA 0.543 4.882 4.340 -0.003 0.000 0.256 2339 L C -1.384 175.470 176.870 -0.026 0.000 0.968 2339 L CA -0.344 54.469 54.840 -0.045 0.000 0.944 2339 L CB 2.235 44.258 42.059 -0.060 0.000 1.494 2339 L HN 0.731 nan 8.230 nan 0.000 0.419 2340 S N 0.000 115.697 115.700 -0.005 0.000 2.498 2340 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 2340 S CA 0.000 58.212 58.200 0.020 0.000 1.107 2340 S CB 0.000 63.209 63.200 0.014 0.000 0.593 2340 S HN 0.000 nan 8.310 nan 0.000 0.517