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 2e82_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 0.000 176.328 176.300 0.046 0.000 1.140 2001 M CA 0.000 55.315 55.300 0.025 0.000 0.988 2001 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2002 R N 3.079 123.597 120.500 0.029 0.000 2.351 2002 R HA 0.432 4.771 4.340 -0.001 0.000 0.318 2002 R C -0.703 175.611 176.300 0.024 0.000 1.055 2002 R CA -0.247 55.866 56.100 0.022 0.000 0.968 2002 R CB 0.430 30.738 30.300 0.013 0.000 0.974 2002 R HN 0.412 nan 8.270 nan 0.000 0.439 2003 V N 4.348 124.269 119.914 0.012 0.000 2.483 2003 V HA 0.342 4.462 4.120 -0.001 0.000 0.295 2003 V C 0.061 176.108 176.094 -0.080 0.000 1.035 2003 V CA -0.766 61.530 62.300 -0.007 0.000 0.896 2003 V CB 1.952 33.754 31.823 -0.035 0.000 0.986 2003 V HN 0.422 nan 8.190 nan 0.000 0.447 2004 V N 5.063 124.921 119.914 -0.092 0.000 2.483 2004 V HA 0.458 4.577 4.120 -0.001 0.000 0.297 2004 V C -0.340 175.686 176.094 -0.114 0.000 1.027 2004 V CA -0.619 61.569 62.300 -0.186 0.000 0.855 2004 V CB 2.017 33.686 31.823 -0.257 0.000 0.995 2004 V HN 0.607 nan 8.190 nan 0.000 0.424 2005 V N 6.248 126.089 119.914 -0.122 0.000 2.370 2005 V HA 0.498 4.617 4.120 -0.001 0.000 0.283 2005 V C -0.106 176.008 176.094 0.034 0.000 1.023 2005 V CA -0.379 61.907 62.300 -0.022 0.000 0.857 2005 V CB 1.561 33.377 31.823 -0.013 0.000 0.985 2005 V HN 0.700 nan 8.190 nan 0.000 0.443 2006 I N 4.201 124.835 120.570 0.107 0.000 2.312 2006 I HA 0.787 4.957 4.170 -0.001 0.000 0.290 2006 I C 0.642 176.837 176.117 0.130 0.000 1.008 2006 I CA -0.261 61.132 61.300 0.154 0.000 1.226 2006 I CB 1.269 39.391 38.000 0.203 0.000 1.371 2006 I HN 0.835 nan 8.210 nan 0.000 0.468 2007 G N 4.194 113.046 108.800 0.086 0.000 3.400 2007 G HA2 0.197 4.156 3.960 -0.001 0.000 0.679 2007 G HA3 0.197 4.156 3.960 -0.001 0.000 0.679 2007 G C -0.361 174.554 174.900 0.025 0.000 1.239 2007 G CA -0.321 44.807 45.100 0.047 0.000 1.049 2007 G HN 0.897 nan 8.290 nan 0.000 0.539 2008 A N 1.467 124.230 122.820 -0.094 0.000 2.545 2008 A HA 0.763 5.083 4.320 -0.001 0.000 0.277 2008 A C 1.494 179.068 177.584 -0.017 0.000 1.301 2008 A CA 1.194 53.197 52.037 -0.057 0.000 0.935 2008 A CB -0.106 18.711 19.000 -0.304 0.000 1.093 2008 A HN 2.052 nan 8.150 nan 0.000 0.519 2009 G N -1.264 107.547 108.800 0.018 0.000 2.516 2009 G HA2 0.297 4.257 3.960 -0.001 0.000 0.276 2009 G HA3 0.297 4.257 3.960 -0.001 0.000 0.276 2009 G C 1.142 176.073 174.900 0.051 0.000 1.390 2009 G CA 0.393 45.521 45.100 0.047 0.000 1.050 2009 G HN 0.476 nan 8.290 nan 0.000 0.519 2010 V N -0.197 119.744 119.914 0.045 0.000 2.453 2010 V HA -0.083 4.036 4.120 -0.001 0.000 0.247 2010 V C 2.562 178.708 176.094 0.086 0.000 1.048 2010 V CA 1.222 63.558 62.300 0.060 0.000 1.049 2010 V CB -0.528 31.322 31.823 0.045 0.000 0.672 2010 V HN 0.514 nan 8.190 nan 0.000 0.457 2011 I N 1.148 121.731 120.570 0.021 0.000 2.163 2011 I HA -0.051 4.119 4.170 -0.001 0.000 0.240 2011 I C 2.737 178.893 176.117 0.065 0.000 1.081 2011 I CA 1.684 62.985 61.300 0.001 0.000 1.353 2011 I CB -2.267 35.654 38.000 -0.132 0.000 1.054 2011 I HN 0.380 nan 8.210 nan 0.000 0.407 2012 G N 1.870 110.717 108.800 0.078 0.000 2.628 2012 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 2012 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 2012 G C 1.785 176.740 174.900 0.092 0.000 1.240 2012 G CA 0.805 45.958 45.100 0.088 0.000 0.792 2012 G HN 0.321 nan 8.290 nan 0.000 0.593 2013 L N 1.435 122.722 121.223 0.106 0.000 2.079 2013 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 2013 L C 3.382 180.317 176.870 0.108 0.000 1.081 2013 L CA 1.702 56.611 54.840 0.116 0.000 0.752 2013 L CB -0.583 41.529 42.059 0.089 0.000 0.896 2013 L HN 0.508 nan 8.230 nan 0.000 0.433 2014 S N -1.485 114.309 115.700 0.158 0.000 2.355 2014 S HA -0.174 4.295 4.470 -0.001 0.000 0.222 2014 S C 1.950 176.621 174.600 0.119 0.000 1.031 2014 S CA 1.524 59.892 58.200 0.281 0.000 0.993 2014 S CB -0.771 62.753 63.200 0.541 0.000 0.859 2014 S HN 0.327 nan 8.310 nan 0.000 0.453 2015 T N 3.218 117.798 114.554 0.042 0.000 2.607 2015 T HA -0.047 4.302 4.350 -0.001 0.000 0.267 2015 T C 2.140 176.807 174.700 -0.055 0.000 1.049 2015 T CA 1.773 63.845 62.100 -0.046 0.000 1.162 2015 T CB -1.090 67.758 68.868 -0.032 0.000 0.863 2015 T HN 0.664 nan 8.240 nan 0.000 0.424 2016 A N 0.408 123.214 122.820 -0.025 0.000 2.194 2016 A HA -0.028 4.291 4.320 -0.001 0.000 0.220 2016 A C 2.135 179.703 177.584 -0.027 0.000 1.162 2016 A CA 1.139 53.149 52.037 -0.046 0.000 0.674 2016 A CB -0.607 18.372 19.000 -0.035 0.000 0.789 2016 A HN 0.434 nan 8.150 nan 0.000 0.470 2017 L N -1.668 119.561 121.223 0.010 0.000 2.200 2017 L HA 0.057 4.396 4.340 -0.001 0.000 0.200 2017 L C 2.397 179.294 176.870 0.044 0.000 1.072 2017 L CA 1.765 56.629 54.840 0.040 0.000 0.787 2017 L CB -0.692 41.452 42.059 0.141 0.000 0.957 2017 L HN 0.344 nan 8.230 nan 0.000 0.459 2018 C N 0.076 119.349 119.300 -0.046 0.000 2.413 2018 C HA -0.139 4.320 4.460 -0.001 0.000 0.276 2018 C C 2.710 177.663 174.990 -0.062 0.000 1.236 2018 C CA 1.094 60.028 59.018 -0.139 0.000 1.735 2018 C CB -0.923 26.590 27.740 -0.378 0.000 2.031 2018 C HN 0.572 nan 8.230 nan 0.000 0.474 2019 I N -0.202 120.330 120.570 -0.063 0.000 2.127 2019 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 2019 I C 2.825 178.978 176.117 0.059 0.000 1.075 2019 I CA 1.918 63.193 61.300 -0.043 0.000 1.334 2019 I CB -0.728 37.050 38.000 -0.370 0.000 1.040 2019 I HN 0.521 nan 8.210 nan 0.000 0.405 2020 H N 1.992 121.018 119.070 -0.072 0.000 2.267 2020 H HA -0.217 4.338 4.556 -0.001 0.000 0.297 2020 H C 1.793 177.132 175.328 0.018 0.000 1.080 2020 H CA 2.138 58.166 56.048 -0.035 0.000 1.278 2020 H CB -0.139 29.558 29.762 -0.108 0.000 1.365 2020 H HN 0.538 nan 8.280 nan 0.000 0.489 2021 E N 0.054 120.412 120.200 0.262 0.000 2.512 2021 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 2021 E C 1.937 178.612 176.600 0.124 0.000 1.083 2021 E CA 0.115 56.643 56.400 0.214 0.000 0.873 2021 E CB 0.010 29.803 29.700 0.156 0.000 0.897 2021 E HN 0.271 nan 8.360 nan 0.000 0.514 2022 R N -0.558 119.932 120.500 -0.017 0.000 2.437 2022 R HA 0.106 4.446 4.340 -0.001 0.000 0.257 2022 R C -0.071 175.867 176.300 -0.603 0.000 0.927 2022 R CA 0.158 56.061 56.100 -0.328 0.000 1.078 2022 R CB 0.596 30.595 30.300 -0.502 0.000 1.161 2022 R HN 0.215 nan 8.270 nan 0.000 0.529 2023 Y N -2.172 118.178 120.300 0.083 0.000 2.795 2023 Y HA 0.064 4.614 4.550 -0.001 0.000 0.274 2023 Y C 1.215 177.110 175.900 -0.010 0.000 1.035 2023 Y CA -0.294 57.841 58.100 0.059 0.000 1.252 2023 Y CB 0.014 38.575 38.460 0.169 0.000 1.399 2023 Y HN 0.209 nan 8.280 nan 0.000 0.579 2024 H N -1.798 117.216 119.070 -0.094 0.000 2.546 2024 H HA 0.033 4.588 4.556 -0.001 0.000 0.277 2024 H C 1.720 177.002 175.328 -0.078 0.000 1.004 2024 H CA 1.259 57.184 56.048 -0.205 0.000 1.231 2024 H CB 0.119 29.539 29.762 -0.571 0.000 1.382 2024 H HN 0.122 nan 8.280 nan 0.000 0.580 2025 S N 0.460 115.829 115.700 -0.551 0.000 2.468 2025 S HA -0.044 4.425 4.470 -0.001 0.000 0.226 2025 S C 2.043 176.554 174.600 -0.149 0.000 1.051 2025 S CA 0.236 58.195 58.200 -0.402 0.000 0.943 2025 S CB -0.303 62.627 63.200 -0.450 0.000 0.810 2025 S HN 0.383 nan 8.310 nan 0.000 0.509 2026 V N -0.835 119.040 119.914 -0.065 0.000 2.951 2026 V HA 0.409 4.529 4.120 -0.001 0.000 0.255 2026 V C 0.780 176.891 176.094 0.027 0.000 1.088 2026 V CA 0.515 62.819 62.300 0.008 0.000 1.109 2026 V CB -0.793 31.070 31.823 0.068 0.000 0.724 2026 V HN 0.407 nan 8.190 nan 0.000 0.471 2027 L N 1.483 122.732 121.223 0.042 0.000 2.360 2027 L HA 0.353 4.692 4.340 -0.001 0.000 0.265 2027 L C 1.360 178.239 176.870 0.014 0.000 1.066 2027 L CA -0.309 54.555 54.840 0.039 0.000 0.929 2027 L CB 1.388 43.498 42.059 0.084 0.000 1.306 2027 L HN 0.223 nan 8.230 nan 0.000 0.434 2028 Q N 2.263 122.063 119.800 -0.000 0.000 2.096 2028 Q HA -0.152 4.187 4.340 -0.001 0.000 0.208 2028 Q C -0.902 175.104 176.000 0.010 0.000 0.993 2028 Q CA 1.470 57.271 55.803 -0.003 0.000 0.862 2028 Q CB -1.338 27.398 28.738 -0.005 0.000 0.915 2028 Q HN 0.470 nan 8.270 nan 0.000 0.416 2029 P HA 0.188 nan 4.420 nan 0.000 0.236 2029 P C -1.011 176.306 177.300 0.027 0.000 1.749 2029 P CA -0.232 62.879 63.100 0.018 0.000 0.994 2029 P CB -0.126 31.581 31.700 0.012 0.000 1.599 2030 L N 0.938 122.181 121.223 0.033 0.000 2.410 2030 L HA 0.355 4.694 4.340 -0.001 0.000 0.273 2030 L C -0.399 176.493 176.870 0.037 0.000 1.152 2030 L CA 0.509 55.374 54.840 0.042 0.000 0.855 2030 L CB 0.255 42.338 42.059 0.040 0.000 1.129 2030 L HN -0.080 nan 8.230 nan 0.000 0.463 2031 D N 4.508 124.929 120.400 0.036 0.000 2.686 2031 D HA 0.462 5.101 4.640 -0.001 0.000 0.249 2031 D C -1.095 175.210 176.300 0.008 0.000 1.260 2031 D CA -0.252 53.765 54.000 0.029 0.000 0.910 2031 D CB 0.967 41.785 40.800 0.029 0.000 1.323 2031 D HN 0.417 nan 8.370 nan 0.000 0.561 2032 I N 2.946 123.514 120.570 -0.004 0.000 2.493 2032 I HA 0.468 4.637 4.170 -0.001 0.000 0.298 2032 I C -0.244 175.818 176.117 -0.092 0.000 0.998 2032 I CA -0.809 60.456 61.300 -0.058 0.000 1.137 2032 I CB 1.786 39.750 38.000 -0.061 0.000 1.310 2032 I HN 0.135 nan 8.210 nan 0.000 0.445 2033 K N 4.424 124.742 120.400 -0.137 0.000 2.482 2033 K HA 0.573 4.892 4.320 -0.001 0.000 0.251 2033 K C -1.495 174.965 176.600 -0.234 0.000 0.936 2033 K CA -0.636 55.567 56.287 -0.140 0.000 0.791 2033 K CB 2.937 35.392 32.500 -0.076 0.000 1.213 2033 K HN 0.210 nan 8.250 nan 0.000 0.428 2034 V N 3.781 123.610 119.914 -0.142 0.000 2.394 2034 V HA 0.330 4.450 4.120 -0.001 0.000 0.282 2034 V C -1.063 175.245 176.094 0.358 0.000 1.031 2034 V CA -0.676 61.648 62.300 0.039 0.000 0.881 2034 V CB 0.363 32.282 31.823 0.160 0.000 0.982 2034 V HN 0.552 nan 8.190 nan 0.000 0.451 2035 Y N 3.092 123.545 120.300 0.254 0.000 2.331 2035 Y HA 0.802 5.351 4.550 -0.001 0.000 0.338 2035 Y C 0.367 176.347 175.900 0.132 0.000 0.992 2035 Y CA -1.415 56.839 58.100 0.258 0.000 1.121 2035 Y CB 1.750 40.312 38.460 0.169 0.000 1.184 2035 Y HN 0.710 nan 8.280 nan 0.000 0.469 2036 A N 1.848 124.808 122.820 0.233 0.000 2.515 2036 A HA 0.466 4.785 4.320 -0.001 0.000 0.298 2036 A C 0.200 177.689 177.584 -0.158 0.000 1.059 2036 A CA -0.576 51.337 52.037 -0.206 0.000 0.698 2036 A CB 1.268 19.742 19.000 -0.876 0.000 1.289 2036 A HN 0.685 nan 8.150 nan 0.000 0.404 2037 D N 0.307 120.589 120.400 -0.196 0.000 2.249 2037 D HA 0.058 4.698 4.640 -0.001 0.000 0.205 2037 D C 0.552 176.751 176.300 -0.168 0.000 0.962 2037 D CA 1.194 55.105 54.000 -0.148 0.000 0.860 2037 D CB 0.207 40.885 40.800 -0.203 0.000 0.955 2037 D HN 0.485 nan 8.370 nan 0.000 0.505 2038 R N -0.820 119.498 120.500 -0.305 0.000 2.686 2038 R HA 0.504 4.844 4.340 -0.001 0.000 0.286 2038 R C -1.169 174.913 176.300 -0.362 0.000 0.969 2038 R CA -0.679 55.289 56.100 -0.219 0.000 0.898 2038 R CB 1.607 31.783 30.300 -0.207 0.000 1.183 2038 R HN -0.047 nan 8.270 nan 0.000 0.456 2039 F N -0.924 119.003 119.950 -0.038 0.000 2.732 2039 F HA 0.277 4.803 4.527 -0.001 0.000 0.394 2039 F C 1.754 177.523 175.800 -0.051 0.000 1.194 2039 F CA -0.490 57.478 58.000 -0.052 0.000 1.127 2039 F CB 0.770 39.717 39.000 -0.088 0.000 1.470 2039 F HN 0.540 nan 8.300 nan 0.000 0.505 2040 T N -0.060 114.612 114.554 0.196 0.000 2.731 2040 T HA -0.211 4.138 4.350 -0.001 0.000 0.263 2040 T C -1.245 173.484 174.700 0.048 0.000 1.033 2040 T CA 2.115 64.258 62.100 0.071 0.000 1.160 2040 T CB -1.570 67.305 68.868 0.012 0.000 0.849 2040 T HN 0.303 nan 8.240 nan 0.000 0.469 2041 P HA 0.217 nan 4.420 nan 0.000 0.226 2041 P C 0.986 178.307 177.300 0.035 0.000 1.161 2041 P CA 0.596 63.716 63.100 0.034 0.000 0.804 2041 P CB -0.114 31.601 31.700 0.025 0.000 0.829 2042 L N -1.115 120.132 121.223 0.039 0.000 2.910 2042 L HA 0.264 4.604 4.340 -0.001 0.000 0.252 2042 L C 0.693 177.587 176.870 0.039 0.000 1.195 2042 L CA -0.225 54.634 54.840 0.032 0.000 1.003 2042 L CB -0.541 41.531 42.059 0.021 0.000 1.328 2042 L HN -0.059 nan 8.230 nan 0.000 0.540 2043 T N -4.841 109.742 114.554 0.048 0.000 2.922 2043 T HA 0.196 4.545 4.350 -0.001 0.000 0.285 2043 T C 1.267 176.032 174.700 0.108 0.000 1.005 2043 T CA -0.282 61.871 62.100 0.087 0.000 1.061 2043 T CB 1.702 70.607 68.868 0.062 0.000 1.007 2043 T HN 0.046 nan 8.240 nan 0.000 0.502 2044 T N 1.969 116.631 114.554 0.179 0.000 2.721 2044 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 2044 T C 2.018 176.743 174.700 0.042 0.000 1.038 2044 T CA 2.206 64.365 62.100 0.099 0.000 1.145 2044 T CB -0.934 67.999 68.868 0.108 0.000 0.858 2044 T HN 0.837 nan 8.240 nan 0.000 0.459 2045 T N 1.877 116.464 114.554 0.055 0.000 2.849 2045 T HA -0.117 4.233 4.350 -0.001 0.000 0.270 2045 T C 1.576 176.295 174.700 0.032 0.000 1.066 2045 T CA 1.114 63.235 62.100 0.035 0.000 1.130 2045 T CB -0.317 68.579 68.868 0.047 0.000 0.864 2045 T HN 0.479 nan 8.240 nan 0.000 0.481 2046 D N 0.517 120.939 120.400 0.037 0.000 2.277 2046 D HA 0.016 4.655 4.640 -0.001 0.000 0.208 2046 D C 2.018 178.330 176.300 0.019 0.000 0.962 2046 D CA 0.557 54.577 54.000 0.033 0.000 0.865 2046 D CB 0.137 40.958 40.800 0.034 0.000 0.939 2046 D HN 0.277 nan 8.370 nan 0.000 0.510 2047 V N 1.369 121.286 119.914 0.006 0.000 2.788 2047 V HA 0.036 4.155 4.120 -0.001 0.000 0.251 2047 V C 1.279 177.368 176.094 -0.008 0.000 1.068 2047 V CA 0.320 62.614 62.300 -0.009 0.000 1.090 2047 V CB -0.354 31.446 31.823 -0.038 0.000 0.710 2047 V HN 0.088 nan 8.190 nan 0.000 0.467 2048 A N 0.188 122.999 122.820 -0.014 0.000 2.498 2048 A HA 0.483 4.802 4.320 -0.001 0.000 0.239 2048 A C 1.651 179.229 177.584 -0.010 0.000 1.068 2048 A CA 0.585 52.606 52.037 -0.027 0.000 0.766 2048 A CB 0.336 19.311 19.000 -0.042 0.000 1.003 2048 A HN 0.464 nan 8.150 nan 0.000 0.497 2049 A N 1.768 124.581 122.820 -0.013 0.000 1.898 2049 A HA 0.374 4.694 4.320 -0.001 0.000 0.216 2049 A C 1.907 179.472 177.584 -0.032 0.000 1.181 2049 A CA 1.688 53.725 52.037 0.000 0.000 0.620 2049 A CB -0.839 18.169 19.000 0.013 0.000 0.819 2049 A HN 2.704 nan 8.150 nan 0.000 0.442 2050 G N -2.142 106.614 108.800 -0.073 0.000 2.134 2050 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.209 2050 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.209 2050 G C -0.014 174.815 174.900 -0.118 0.000 0.993 2050 G CA 0.106 45.151 45.100 -0.091 0.000 0.669 2050 G HN 1.080 nan 8.290 nan 0.000 0.519 2051 L N 0.613 121.746 121.223 -0.149 0.000 2.410 2051 L HA 0.655 4.995 4.340 -0.001 0.000 0.273 2051 L C 0.512 177.300 176.870 -0.136 0.000 1.144 2051 L CA -1.258 53.471 54.840 -0.185 0.000 0.863 2051 L CB 0.301 42.171 42.059 -0.315 0.000 1.140 2051 L HN 0.226 nan 8.230 nan 0.000 0.463 2052 W N 7.404 128.585 121.300 -0.199 0.000 2.485 2052 W HA 0.409 5.068 4.660 -0.001 0.000 0.315 2052 W C -0.265 176.057 176.519 -0.328 0.000 1.304 2052 W CA 0.048 57.297 57.345 -0.160 0.000 1.345 2052 W CB 0.060 29.530 29.460 0.017 0.000 1.368 2052 W HN 0.678 nan 8.180 nan 0.000 0.497 2053 Q N 7.268 126.578 119.800 -0.818 0.000 2.548 2053 Q HA 0.184 4.524 4.340 -0.001 0.000 0.232 2053 Q C -2.601 172.770 176.000 -1.048 0.000 0.838 2053 Q CA -1.337 53.829 55.803 -1.062 0.000 1.032 2053 Q CB 1.471 29.839 28.738 -0.617 0.000 1.548 2053 Q HN 0.154 nan 8.270 nan 0.000 0.479 2054 P HA 0.143 nan 4.420 nan 0.000 0.275 2054 P C -0.933 176.108 177.300 -0.431 0.000 1.266 2054 P CA -0.293 62.241 63.100 -0.943 0.000 0.793 2054 P CB 0.365 31.568 31.700 -0.829 0.000 1.074 2055 Y N -0.504 119.591 120.300 -0.343 0.000 2.757 2055 Y HA -0.064 4.486 4.550 -0.001 0.000 0.344 2055 Y C 1.952 177.948 175.900 0.160 0.000 1.263 2055 Y CA 0.266 58.296 58.100 -0.117 0.000 1.493 2055 Y CB -0.767 37.583 38.460 -0.182 0.000 1.342 2055 Y HN 0.208 nan 8.280 nan 0.000 0.627 2056 L N 0.922 122.382 121.223 0.394 0.000 2.027 2056 L HA -0.110 4.229 4.340 -0.001 0.000 0.206 2056 L C 1.077 178.052 176.870 0.176 0.000 1.074 2056 L CA 1.037 56.109 54.840 0.387 0.000 0.745 2056 L CB -0.847 41.418 42.059 0.342 0.000 0.898 2056 L HN 0.553 nan 8.230 nan 0.000 0.433 2057 S N 0.221 115.980 115.700 0.099 0.000 2.533 2057 S HA 0.011 4.480 4.470 -0.001 0.000 0.282 2057 S C 0.012 174.629 174.600 0.028 0.000 1.304 2057 S CA -0.779 57.433 58.200 0.020 0.000 1.063 2057 S CB 0.532 63.712 63.200 -0.032 0.000 0.881 2057 S HN 0.133 nan 8.310 nan 0.000 0.493 2058 D N 3.246 123.637 120.400 -0.014 0.000 2.487 2058 D HA 0.120 4.759 4.640 -0.001 0.000 0.243 2058 D C -1.908 174.384 176.300 -0.013 0.000 1.154 2058 D CA -0.888 53.098 54.000 -0.022 0.000 0.876 2058 D CB 0.293 41.060 40.800 -0.054 0.000 1.161 2058 D HN 0.328 nan 8.370 nan 0.000 0.478 2059 P HA -0.010 nan 4.420 nan 0.000 0.264 2059 P C 0.549 177.839 177.300 -0.017 0.000 1.179 2059 P CA 0.130 63.227 63.100 -0.006 0.000 0.763 2059 P CB 0.433 32.107 31.700 -0.043 0.000 0.806 2060 N N 0.777 119.478 118.700 0.001 0.000 2.166 2060 N HA -0.165 4.574 4.740 -0.001 0.000 0.186 2060 N C 0.578 176.075 175.510 -0.021 0.000 1.019 2060 N CA 0.644 53.691 53.050 -0.006 0.000 0.856 2060 N CB -0.185 38.308 38.487 0.011 0.000 0.993 2060 N HN 0.435 nan 8.380 nan 0.000 0.426 2061 N N 0.920 119.602 118.700 -0.030 0.000 2.437 2061 N HA 0.140 4.880 4.740 -0.001 0.000 0.259 2061 N C -2.109 173.328 175.510 -0.122 0.000 0.983 2061 N CA -2.415 50.595 53.050 -0.067 0.000 0.937 2061 N CB 1.427 39.878 38.487 -0.061 0.000 1.122 2061 N HN -0.077 nan 8.380 nan 0.000 0.499 2062 P HA -0.059 nan 4.420 nan 0.000 0.237 2062 P C 0.527 177.672 177.300 -0.257 0.000 1.178 2062 P CA 0.829 63.839 63.100 -0.150 0.000 0.766 2062 P CB 0.522 32.157 31.700 -0.108 0.000 0.876 2063 Q N 0.509 120.091 119.800 -0.363 0.000 2.135 2063 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 2063 Q C 2.133 177.451 176.000 -1.137 0.000 0.981 2063 Q CA 1.533 56.924 55.803 -0.686 0.000 0.856 2063 Q CB -0.354 27.978 28.738 -0.677 0.000 0.902 2063 Q HN 0.441 nan 8.270 nan 0.000 0.425 2064 E N 0.461 120.187 120.200 -0.791 0.000 2.051 2064 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 2064 E C 2.027 178.482 176.600 -0.242 0.000 0.991 2064 E CA 0.829 56.937 56.400 -0.488 0.000 0.799 2064 E CB -0.218 29.416 29.700 -0.109 0.000 0.748 2064 E HN 0.375 nan 8.360 nan 0.000 0.449 2065 A N 1.713 124.417 122.820 -0.192 0.000 2.054 2065 A HA -0.286 4.033 4.320 -0.001 0.000 0.223 2065 A C 1.637 179.203 177.584 -0.030 0.000 1.169 2065 A CA 1.976 53.966 52.037 -0.079 0.000 0.655 2065 A CB -0.399 18.560 19.000 -0.069 0.000 0.812 2065 A HN 0.185 nan 8.150 nan 0.000 0.462 2066 D N -1.453 118.865 120.400 -0.136 0.000 2.149 2066 D HA -0.095 4.544 4.640 -0.001 0.000 0.206 2066 D C 1.745 178.133 176.300 0.148 0.000 0.967 2066 D CA 0.766 54.746 54.000 -0.033 0.000 0.848 2066 D CB -0.342 40.390 40.800 -0.113 0.000 0.998 2066 D HN 0.684 nan 8.370 nan 0.000 0.474 2067 W N 1.966 123.336 121.300 0.117 0.000 2.364 2067 W HA -0.045 4.615 4.660 -0.001 0.000 0.281 2067 W C 2.406 179.048 176.519 0.205 0.000 1.219 2067 W CA 0.276 57.699 57.345 0.131 0.000 1.220 2067 W CB -1.322 28.203 29.460 0.108 0.000 1.127 2067 W HN -0.065 nan 8.180 nan 0.000 0.556 2068 S N 0.117 116.068 115.700 0.417 0.000 2.345 2068 S HA -0.247 4.222 4.470 -0.001 0.000 0.220 2068 S C 1.774 176.780 174.600 0.677 0.000 1.031 2068 S CA 1.754 60.238 58.200 0.473 0.000 0.996 2068 S CB -0.560 62.767 63.200 0.212 0.000 0.882 2068 S HN 0.225 nan 8.310 nan 0.000 0.445 2069 Q N 1.675 121.758 119.800 0.472 0.000 2.077 2069 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 2069 Q C 2.038 178.236 176.000 0.331 0.000 0.989 2069 Q CA 1.976 57.988 55.803 0.348 0.000 0.853 2069 Q CB -0.446 28.423 28.738 0.218 0.000 0.907 2069 Q HN 0.642 nan 8.270 nan 0.000 0.418 2070 Q N -1.090 118.910 119.800 0.335 0.000 2.084 2070 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 2070 Q C 2.168 178.406 176.000 0.396 0.000 0.978 2070 Q CA 1.781 57.779 55.803 0.325 0.000 0.844 2070 Q CB -0.215 28.705 28.738 0.303 0.000 0.898 2070 Q HN 0.395 nan 8.270 nan 0.000 0.426 2071 T N 1.217 116.040 114.554 0.447 0.000 2.674 2071 T HA -0.166 4.183 4.350 -0.001 0.000 0.265 2071 T C 1.416 176.330 174.700 0.357 0.000 1.039 2071 T CA 1.233 63.610 62.100 0.462 0.000 1.150 2071 T CB -0.461 68.693 68.868 0.477 0.000 0.864 2071 T HN 0.222 nan 8.240 nan 0.000 0.427 2072 F N 2.526 122.552 119.950 0.128 0.000 2.091 2072 F HA -0.189 4.337 4.527 -0.001 0.000 0.299 2072 F C 2.027 177.713 175.800 -0.189 0.000 1.103 2072 F CA 1.556 59.337 58.000 -0.366 0.000 1.228 2072 F CB -0.418 38.003 39.000 -0.965 0.000 0.984 2072 F HN 0.100 nan 8.300 nan 0.000 0.477 2073 D N -1.147 119.243 120.400 -0.016 0.000 2.117 2073 D HA -0.230 4.409 4.640 -0.001 0.000 0.198 2073 D C 2.040 178.324 176.300 -0.027 0.000 0.982 2073 D CA 1.468 55.433 54.000 -0.059 0.000 0.828 2073 D CB -0.865 39.989 40.800 0.090 0.000 0.967 2073 D HN 0.421 nan 8.370 nan 0.000 0.464 2074 Y N 1.821 122.104 120.300 -0.028 0.000 2.128 2074 Y HA -0.206 4.343 4.550 -0.001 0.000 0.284 2074 Y C 2.184 178.019 175.900 -0.109 0.000 1.154 2074 Y CA 1.381 59.460 58.100 -0.035 0.000 1.149 2074 Y CB -0.593 37.797 38.460 -0.117 0.000 0.976 2074 Y HN -0.102 nan 8.280 nan 0.000 0.505 2075 L N -0.760 120.260 121.223 -0.340 0.000 2.005 2075 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 2075 L C 2.452 179.058 176.870 -0.440 0.000 1.072 2075 L CA 1.304 55.852 54.840 -0.486 0.000 0.744 2075 L CB -0.922 40.927 42.059 -0.349 0.000 0.895 2075 L HN 0.301 nan 8.230 nan 0.000 0.433 2076 L N 0.092 120.979 121.223 -0.560 0.000 2.263 2076 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 2076 L C 2.561 179.228 176.870 -0.339 0.000 1.111 2076 L CA 1.959 56.483 54.840 -0.528 0.000 0.773 2076 L CB -0.477 41.125 42.059 -0.762 0.000 0.906 2076 L HN 0.380 nan 8.230 nan 0.000 0.439 2077 S N -3.105 112.419 115.700 -0.292 0.000 2.527 2077 S HA -0.069 4.401 4.470 -0.001 0.000 0.222 2077 S C 1.416 175.748 174.600 -0.447 0.000 0.985 2077 S CA 0.704 58.719 58.200 -0.308 0.000 0.921 2077 S CB -0.594 62.448 63.200 -0.263 0.000 0.772 2077 S HN 0.652 nan 8.310 nan 0.000 0.529 2078 H N -0.505 118.369 119.070 -0.326 0.000 2.755 2078 H HA 0.419 4.975 4.556 -0.001 0.000 0.273 2078 H C 1.700 176.893 175.328 -0.226 0.000 1.055 2078 H CA 0.203 56.068 56.048 -0.305 0.000 1.191 2078 H CB 0.540 30.012 29.762 -0.484 0.000 1.536 2078 H HN 0.253 nan 8.280 nan 0.000 0.529 2079 V N 0.301 120.150 119.914 -0.108 0.000 2.594 2079 V HA -0.252 3.867 4.120 -0.001 0.000 0.253 2079 V C 1.271 177.434 176.094 0.113 0.000 1.069 2079 V CA 2.056 64.339 62.300 -0.029 0.000 1.082 2079 V CB -0.172 31.625 31.823 -0.043 0.000 0.680 2079 V HN 0.508 nan 8.190 nan 0.000 0.469 2080 H N -0.623 118.378 119.070 -0.115 0.000 2.551 2080 H HA 0.389 4.944 4.556 -0.001 0.000 0.271 2080 H C 1.324 176.602 175.328 -0.083 0.000 0.984 2080 H CA -0.067 55.929 56.048 -0.085 0.000 1.164 2080 H CB 0.018 29.731 29.762 -0.081 0.000 1.437 2080 H HN 0.359 nan 8.280 nan 0.000 0.550 2081 S N 2.044 117.743 115.700 -0.001 0.000 2.573 2081 S HA -0.019 4.451 4.470 -0.001 0.000 0.277 2081 S C -0.980 173.602 174.600 -0.030 0.000 1.346 2081 S CA -0.874 57.310 58.200 -0.025 0.000 1.034 2081 S CB 0.990 64.183 63.200 -0.012 0.000 0.879 2081 S HN 0.318 nan 8.310 nan 0.000 0.528 2082 P HA -0.132 nan 4.420 nan 0.000 0.216 2082 P C 0.489 177.777 177.300 -0.020 0.000 1.150 2082 P CA 1.199 64.290 63.100 -0.014 0.000 0.843 2082 P CB -0.129 31.577 31.700 0.010 0.000 0.787 2083 N N -0.751 117.933 118.700 -0.025 0.000 2.295 2083 N HA 0.177 4.916 4.740 -0.001 0.000 0.221 2083 N C 1.277 176.697 175.510 -0.151 0.000 1.129 2083 N CA 0.204 53.223 53.050 -0.051 0.000 0.836 2083 N CB -0.348 38.147 38.487 0.013 0.000 1.040 2083 N HN 0.007 nan 8.380 nan 0.000 0.494 2084 A N 1.356 124.101 122.820 -0.125 0.000 1.978 2084 A HA -0.219 4.101 4.320 -0.001 0.000 0.220 2084 A C 2.146 179.666 177.584 -0.107 0.000 1.170 2084 A CA 1.417 53.369 52.037 -0.141 0.000 0.636 2084 A CB -0.473 18.474 19.000 -0.088 0.000 0.810 2084 A HN 0.490 nan 8.150 nan 0.000 0.448 2085 E N -0.186 119.972 120.200 -0.070 0.000 2.046 2085 E HA -0.201 4.148 4.350 -0.001 0.000 0.190 2085 E C 1.703 178.290 176.600 -0.022 0.000 0.982 2085 E CA 1.171 57.551 56.400 -0.034 0.000 0.800 2085 E CB -0.148 29.532 29.700 -0.033 0.000 0.756 2085 E HN 0.589 nan 8.360 nan 0.000 0.449 2086 N N 0.539 119.221 118.700 -0.030 0.000 2.149 2086 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 2086 N C 1.614 177.120 175.510 -0.006 0.000 1.019 2086 N CA 0.847 53.910 53.050 0.021 0.000 0.857 2086 N CB -0.253 38.293 38.487 0.098 0.000 0.997 2086 N HN 0.135 nan 8.380 nan 0.000 0.426 2087 L N -0.500 120.608 121.223 -0.192 0.000 2.275 2087 L HA 0.107 4.446 4.340 -0.001 0.000 0.215 2087 L C 1.350 178.225 176.870 0.009 0.000 1.119 2087 L CA 1.100 55.839 54.840 -0.168 0.000 0.790 2087 L CB -0.849 40.959 42.059 -0.419 0.000 0.919 2087 L HN 0.373 nan 8.230 nan 0.000 0.443 2088 G N -0.361 108.443 108.800 0.007 0.000 2.182 2088 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.248 2088 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.248 2088 G C 0.113 175.068 174.900 0.092 0.000 1.042 2088 G CA 0.130 45.279 45.100 0.081 0.000 0.775 2088 G HN 0.223 nan 8.290 nan 0.000 0.501 2089 L N 0.252 121.492 121.223 0.028 0.000 2.309 2089 L HA 0.904 5.243 4.340 -0.001 0.000 0.282 2089 L C 0.241 177.203 176.870 0.154 0.000 1.036 2089 L CA -0.946 53.867 54.840 -0.044 0.000 0.806 2089 L CB 1.076 43.032 42.059 -0.173 0.000 1.220 2089 L HN 0.487 nan 8.230 nan 0.000 0.429 2090 F N 2.476 122.382 119.950 -0.074 0.000 2.769 2090 F HA 0.459 4.986 4.527 -0.001 0.000 0.313 2090 F C -1.948 173.848 175.800 -0.008 0.000 1.146 2090 F CA -1.204 56.772 58.000 -0.041 0.000 0.934 2090 F CB 0.746 39.725 39.000 -0.035 0.000 1.283 2090 F HN 0.160 nan 8.300 nan 0.000 0.443 2091 L N 2.935 124.263 121.223 0.174 0.000 2.379 2091 L HA 0.718 5.057 4.340 -0.001 0.000 0.269 2091 L C -0.508 176.466 176.870 0.174 0.000 1.084 2091 L CA -0.972 53.925 54.840 0.095 0.000 0.802 2091 L CB 1.749 43.874 42.059 0.110 0.000 1.175 2091 L HN 0.782 nan 8.230 nan 0.000 0.448 2092 I N 0.426 121.075 120.570 0.132 0.000 2.731 2092 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 2092 I C -0.956 175.228 176.117 0.113 0.000 1.399 2092 I CA 0.055 61.449 61.300 0.157 0.000 1.048 2092 I CB 2.090 40.235 38.000 0.242 0.000 1.345 2092 I HN 0.559 nan 8.210 nan 0.000 0.425 2093 S N 3.997 119.641 115.700 -0.094 0.000 2.651 2093 S HA 0.987 5.456 4.470 -0.001 0.000 0.291 2093 S C -0.027 173.937 174.600 -1.060 0.000 1.141 2093 S CA -0.233 57.712 58.200 -0.425 0.000 1.027 2093 S CB 1.830 64.912 63.200 -0.196 0.000 1.043 2093 S HN 0.940 nan 8.310 nan 0.000 0.530 2094 G N 0.135 107.707 108.800 -2.048 0.000 2.561 2094 G HA2 0.568 4.527 3.960 -0.001 0.000 0.310 2094 G HA3 0.568 4.527 3.960 -0.001 0.000 0.310 2094 G C -2.427 171.405 174.900 -1.779 0.000 1.292 2094 G CA -0.616 43.064 45.100 -2.367 0.000 0.811 2094 G HN 0.502 nan 8.290 nan 0.000 0.482 2095 Y N 0.364 120.232 120.300 -0.720 0.000 2.376 2095 Y HA 0.550 5.099 4.550 -0.001 0.000 0.340 2095 Y C 0.170 176.042 175.900 -0.046 0.000 0.965 2095 Y CA -1.006 56.955 58.100 -0.231 0.000 1.078 2095 Y CB 2.282 40.651 38.460 -0.151 0.000 1.193 2095 Y HN 0.240 nan 8.280 nan 0.000 0.452 2096 N N 4.118 122.909 118.700 0.153 0.000 2.446 2096 N HA 0.461 5.200 4.740 -0.001 0.000 0.265 2096 N C -1.445 173.849 175.510 -0.360 0.000 0.975 2096 N CA -0.348 52.684 53.050 -0.029 0.000 0.928 2096 N CB 1.514 40.083 38.487 0.137 0.000 1.160 2096 N HN 0.573 nan 8.380 nan 0.000 0.495 2097 L N 2.882 123.748 121.223 -0.596 0.000 2.325 2097 L HA 0.619 4.958 4.340 -0.001 0.000 0.278 2097 L C -0.723 175.714 176.870 -0.721 0.000 1.023 2097 L CA -0.674 53.796 54.840 -0.616 0.000 0.811 2097 L CB 0.931 42.428 42.059 -0.936 0.000 1.249 2097 L HN 0.320 nan 8.230 nan 0.000 0.431 2098 F N -0.186 119.782 119.950 0.031 0.000 2.603 2098 F HA 0.400 4.926 4.527 -0.001 0.000 0.317 2098 F C 1.129 177.079 175.800 0.250 0.000 1.066 2098 F CA -0.764 57.331 58.000 0.158 0.000 0.941 2098 F CB 1.230 40.312 39.000 0.137 0.000 1.291 2098 F HN 0.389 nan 8.300 nan 0.000 0.472 2099 H N -0.292 119.042 119.070 0.441 0.000 2.436 2099 H HA 0.155 4.711 4.556 -0.001 0.000 0.294 2099 H C -0.125 175.317 175.328 0.189 0.000 1.048 2099 H CA 1.116 57.281 56.048 0.195 0.000 1.353 2099 H CB 0.457 30.259 29.762 0.066 0.000 1.414 2099 H HN 0.432 nan 8.280 nan 0.000 0.536 2100 E N -0.634 119.750 120.200 0.306 0.000 2.413 2100 E HA 0.478 4.828 4.350 -0.001 0.000 0.277 2100 E C -0.557 175.981 176.600 -0.103 0.000 0.958 2100 E CA -0.906 55.565 56.400 0.119 0.000 0.779 2100 E CB 2.389 32.121 29.700 0.053 0.000 1.278 2100 E HN 0.118 nan 8.360 nan 0.000 0.456 2101 A N 1.354 123.962 122.820 -0.354 0.000 2.587 2101 A HA 0.252 4.571 4.320 -0.001 0.000 0.233 2101 A C -0.141 177.030 177.584 -0.688 0.000 1.049 2101 A CA 0.617 52.067 52.037 -0.978 0.000 0.754 2101 A CB -0.091 18.579 19.000 -0.549 0.000 0.977 2101 A HN 0.411 nan 8.150 nan 0.000 0.509 2102 I N 1.829 121.911 120.570 -0.814 0.000 2.918 2102 I HA 0.482 4.652 4.170 -0.001 0.000 0.301 2102 I C -2.314 173.678 176.117 -0.208 0.000 1.312 2102 I CA -1.678 59.367 61.300 -0.424 0.000 1.007 2102 I CB 2.288 39.926 38.000 -0.605 0.000 1.281 2102 I HN 0.498 nan 8.210 nan 0.000 0.440 2103 P HA 0.218 nan 4.420 nan 0.000 0.271 2103 P C -1.335 175.922 177.300 -0.073 0.000 1.233 2103 P CA -0.205 62.839 63.100 -0.092 0.000 0.789 2103 P CB 0.310 31.948 31.700 -0.102 0.000 0.951 2104 D N 0.999 121.285 120.400 -0.190 0.000 2.339 2104 D HA 0.223 4.862 4.640 -0.001 0.000 0.245 2104 D C -1.924 173.997 176.300 -0.632 0.000 1.115 2104 D CA -0.963 52.754 54.000 -0.472 0.000 0.917 2104 D CB -0.457 40.068 40.800 -0.458 0.000 1.192 2104 D HN 0.289 nan 8.370 nan 0.000 0.428 2105 P HA 0.091 nan 4.420 nan 0.000 0.279 2105 P C 0.321 177.052 177.300 -0.947 0.000 1.252 2105 P CA -0.393 62.041 63.100 -1.109 0.000 0.811 2105 P CB 1.075 31.520 31.700 -2.091 0.000 1.035 2106 S N 0.712 116.049 115.700 -0.605 0.000 2.400 2106 S HA -0.122 4.347 4.470 -0.001 0.000 0.232 2106 S C 1.432 175.865 174.600 -0.278 0.000 1.025 2106 S CA 0.644 58.643 58.200 -0.335 0.000 0.993 2106 S CB -1.060 62.064 63.200 -0.128 0.000 0.808 2106 S HN 0.723 nan 8.310 nan 0.000 0.478 2107 W N 3.050 124.204 121.300 -0.243 0.000 3.345 2107 W HA 0.341 5.001 4.660 -0.001 0.000 0.282 2107 W C 1.272 177.564 176.519 -0.379 0.000 1.302 2107 W CA 0.083 57.306 57.345 -0.202 0.000 1.724 2107 W CB -0.689 28.748 29.460 -0.038 0.000 1.104 2107 W HN 0.491 nan 8.180 nan 0.000 0.694 2108 K N 1.213 121.139 120.400 -0.791 0.000 2.286 2108 K HA -0.214 4.106 4.320 -0.001 0.000 0.203 2108 K C 0.811 177.074 176.600 -0.561 0.000 1.045 2108 K CA 1.991 57.599 56.287 -1.133 0.000 0.935 2108 K CB -0.338 31.258 32.500 -1.507 0.000 0.737 2108 K HN -0.065 nan 8.250 nan 0.000 0.460 2109 D N 0.011 120.230 120.400 -0.302 0.000 2.398 2109 D HA 0.043 4.682 4.640 -0.001 0.000 0.210 2109 D C 0.915 177.159 176.300 -0.094 0.000 1.094 2109 D CA 0.338 54.251 54.000 -0.145 0.000 0.839 2109 D CB 0.682 41.416 40.800 -0.110 0.000 0.963 2109 D HN 0.247 nan 8.370 nan 0.000 0.506 2110 T N 0.783 115.267 114.554 -0.118 0.000 2.770 2110 T HA -0.036 4.314 4.350 -0.001 0.000 0.258 2110 T C 1.488 175.918 174.700 -0.450 0.000 1.039 2110 T CA 0.636 62.614 62.100 -0.204 0.000 1.143 2110 T CB 0.035 68.795 68.868 -0.180 0.000 0.866 2110 T HN 0.056 nan 8.240 nan 0.000 0.428 2111 V N 0.576 120.195 119.914 -0.493 0.000 3.503 2111 V HA 0.362 4.481 4.120 -0.001 0.000 0.300 2111 V C 0.025 176.122 176.094 0.005 0.000 1.099 2111 V CA -1.096 60.946 62.300 -0.429 0.000 1.117 2111 V CB -0.119 31.602 31.823 -0.170 0.000 1.122 2111 V HN 0.051 nan 8.190 nan 0.000 0.476 2112 L N 1.975 123.310 121.223 0.187 0.000 2.307 2112 L HA 0.708 5.047 4.340 -0.001 0.000 0.282 2112 L C 1.219 178.239 176.870 0.250 0.000 1.051 2112 L CA 0.900 55.867 54.840 0.211 0.000 0.804 2112 L CB 0.242 42.429 42.059 0.212 0.000 1.197 2112 L HN 1.230 nan 8.230 nan 0.000 0.431 2113 G N 2.647 111.567 108.800 0.201 0.000 2.395 2113 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.300 2113 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.300 2113 G C 0.174 175.234 174.900 0.266 0.000 0.998 2113 G CA 0.246 45.466 45.100 0.199 0.000 1.046 2113 G HN 0.523 nan 8.290 nan 0.000 0.513 2114 F N 0.938 120.968 119.950 0.134 0.000 2.545 2114 F HA 0.541 5.068 4.527 -0.001 0.000 0.348 2114 F C 1.097 176.957 175.800 0.100 0.000 1.163 2114 F CA 0.740 58.817 58.000 0.129 0.000 1.331 2114 F CB 0.551 39.532 39.000 -0.033 0.000 1.138 2114 F HN 0.748 nan 8.300 nan 0.000 0.602 2115 R N 2.288 122.229 120.500 -0.931 0.000 2.829 2115 R HA 0.412 4.752 4.340 -0.001 0.000 0.283 2115 R C -2.020 173.948 176.300 -0.553 0.000 1.013 2115 R CA -1.427 54.342 56.100 -0.553 0.000 0.848 2115 R CB 0.535 30.729 30.300 -0.178 0.000 1.291 2115 R HN 0.396 nan 8.270 nan 0.000 0.496 2116 K N 0.791 121.037 120.400 -0.258 0.000 2.118 2116 K HA 0.432 4.752 4.320 -0.001 0.000 0.264 2116 K C -0.402 176.154 176.600 -0.074 0.000 1.000 2116 K CA -0.553 55.658 56.287 -0.126 0.000 0.929 2116 K CB 0.819 33.289 32.500 -0.050 0.000 1.021 2116 K HN 0.413 nan 8.250 nan 0.000 0.463 2117 L N 2.579 123.773 121.223 -0.048 0.000 2.410 2117 L HA 0.116 4.456 4.340 -0.001 0.000 0.273 2117 L C 0.696 177.561 176.870 -0.008 0.000 1.152 2117 L CA -0.272 54.575 54.840 0.012 0.000 0.855 2117 L CB 0.364 42.473 42.059 0.083 0.000 1.129 2117 L HN 0.792 nan 8.230 nan 0.000 0.463 2118 T N 0.062 114.610 114.554 -0.010 0.000 2.882 2118 T HA 0.223 4.573 4.350 -0.001 0.000 0.287 2118 T C -1.790 172.921 174.700 0.017 0.000 1.014 2118 T CA -1.719 60.377 62.100 -0.007 0.000 1.049 2118 T CB 1.266 70.114 68.868 -0.034 0.000 1.001 2118 T HN 0.337 nan 8.240 nan 0.000 0.525 2119 P HA -0.126 nan 4.420 nan 0.000 0.216 2119 P C 1.524 178.836 177.300 0.020 0.000 1.153 2119 P CA 1.240 64.359 63.100 0.032 0.000 0.858 2119 P CB 0.028 31.743 31.700 0.026 0.000 0.789 2120 R N -0.062 120.437 120.500 -0.002 0.000 2.081 2120 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 2120 R C 2.267 178.544 176.300 -0.039 0.000 1.131 2120 R CA 1.318 57.404 56.100 -0.023 0.000 0.960 2120 R CB -0.931 29.349 30.300 -0.033 0.000 0.856 2120 R HN 0.317 nan 8.270 nan 0.000 0.436 2121 E N 1.065 121.255 120.200 -0.016 0.000 2.085 2121 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 2121 E C 1.927 178.534 176.600 0.012 0.000 0.994 2121 E CA 1.191 57.592 56.400 0.002 0.000 0.801 2121 E CB -0.179 29.592 29.700 0.118 0.000 0.743 2121 E HN 0.302 nan 8.360 nan 0.000 0.453 2122 L N 1.123 122.394 121.223 0.080 0.000 2.362 2122 L HA -0.149 4.190 4.340 -0.001 0.000 0.219 2122 L C 1.519 178.437 176.870 0.079 0.000 1.134 2122 L CA 0.563 55.490 54.840 0.145 0.000 0.807 2122 L CB -0.196 41.950 42.059 0.145 0.000 0.927 2122 L HN 0.051 nan 8.230 nan 0.000 0.447 2123 D N -0.185 120.210 120.400 -0.009 0.000 2.277 2123 D HA -0.093 4.547 4.640 -0.001 0.000 0.208 2123 D C 2.181 178.393 176.300 -0.147 0.000 0.962 2123 D CA 0.874 54.848 54.000 -0.043 0.000 0.865 2123 D CB -0.018 40.758 40.800 -0.040 0.000 0.939 2123 D HN 0.385 nan 8.370 nan 0.000 0.510 2124 M N -0.291 119.117 119.600 -0.321 0.000 2.629 2124 M HA -0.059 4.420 4.480 -0.001 0.000 0.257 2124 M C -0.206 175.577 176.300 -0.861 0.000 1.071 2124 M CA 0.874 55.781 55.300 -0.655 0.000 1.077 2124 M CB -0.016 31.978 32.600 -1.011 0.000 1.423 2124 M HN -0.131 nan 8.290 nan 0.000 0.508 2125 F N -1.322 118.612 119.950 -0.026 0.000 2.769 2125 F HA 0.346 4.872 4.527 -0.001 0.000 0.358 2125 F C -1.931 173.923 175.800 0.090 0.000 1.285 2125 F CA -2.631 55.385 58.000 0.028 0.000 1.199 2125 F CB -0.014 38.996 39.000 0.016 0.000 1.558 2125 F HN -0.193 nan 8.300 nan 0.000 0.583 2126 P HA -0.210 nan 4.420 nan 0.000 0.217 2126 P C 0.961 178.343 177.300 0.137 0.000 1.158 2126 P CA 1.683 64.861 63.100 0.130 0.000 0.887 2126 P CB 0.340 32.090 31.700 0.083 0.000 0.792 2127 D N -3.141 117.354 120.400 0.159 0.000 2.378 2127 D HA -0.052 4.588 4.640 -0.001 0.000 0.222 2127 D C 0.080 176.205 176.300 -0.292 0.000 0.980 2127 D CA 0.953 54.937 54.000 -0.028 0.000 0.907 2127 D CB -0.352 40.419 40.800 -0.048 0.000 0.899 2127 D HN 0.304 nan 8.370 nan 0.000 0.527 2128 Y N -1.684 118.696 120.300 0.133 0.000 2.477 2128 Y HA 0.550 5.099 4.550 -0.001 0.000 0.347 2128 Y C 1.220 177.214 175.900 0.157 0.000 0.981 2128 Y CA -1.021 57.138 58.100 0.099 0.000 1.033 2128 Y CB 2.641 41.074 38.460 -0.045 0.000 1.245 2128 Y HN -0.211 nan 8.280 nan 0.000 0.455 2129 G N 0.610 109.595 108.800 0.308 0.000 3.274 2129 G HA2 0.111 4.071 3.960 -0.001 0.000 0.250 2129 G HA3 0.111 4.071 3.960 -0.001 0.000 0.250 2129 G C -1.159 173.947 174.900 0.342 0.000 1.024 2129 G CA 0.208 45.470 45.100 0.270 0.000 0.840 2129 G HN 0.491 nan 8.290 nan 0.000 0.522 2130 Y N -0.208 120.237 120.300 0.242 0.000 2.562 2130 Y HA 0.620 5.169 4.550 -0.001 0.000 0.345 2130 Y C -0.067 176.011 175.900 0.296 0.000 1.045 2130 Y CA -0.274 57.967 58.100 0.234 0.000 1.028 2130 Y CB 2.038 40.610 38.460 0.188 0.000 1.297 2130 Y HN 0.285 nan 8.280 nan 0.000 0.463 2131 G N 1.659 110.142 108.800 -0.529 0.000 2.441 2131 G HA2 0.383 4.342 3.960 -0.001 0.000 0.294 2131 G HA3 0.383 4.342 3.960 -0.001 0.000 0.294 2131 G C -2.351 172.513 174.900 -0.061 0.000 1.393 2131 G CA -0.956 44.050 45.100 -0.158 0.000 0.796 2131 G HN 0.499 nan 8.290 nan 0.000 0.494 2132 W N -0.870 120.525 121.300 0.158 0.000 2.671 2132 W HA 0.831 5.490 4.660 -0.001 0.000 0.360 2132 W C -1.034 175.549 176.519 0.107 0.000 1.128 2132 W CA -1.880 55.506 57.345 0.069 0.000 1.184 2132 W CB 1.344 30.993 29.460 0.314 0.000 1.415 2132 W HN 0.448 nan 8.180 nan 0.000 0.604 2133 F N 3.062 123.055 119.950 0.072 0.000 2.607 2133 F HA 0.358 4.885 4.527 -0.001 0.000 0.322 2133 F C -0.361 175.451 175.800 0.021 0.000 1.176 2133 F CA -0.402 57.539 58.000 -0.098 0.000 0.977 2133 F CB 0.934 39.776 39.000 -0.264 0.000 1.242 2133 F HN 0.418 nan 8.300 nan 0.000 0.465 2134 H N 1.669 120.656 119.070 -0.139 0.000 2.990 2134 H HA 0.477 5.032 4.556 -0.001 0.000 0.336 2134 H C -1.713 173.599 175.328 -0.026 0.000 1.306 2134 H CA -1.010 55.116 56.048 0.130 0.000 1.118 2134 H CB 1.603 31.621 29.762 0.427 0.000 1.856 2134 H HN 0.371 nan 8.280 nan 0.000 0.538 2135 T N 1.375 116.067 114.554 0.230 0.000 2.799 2135 T HA 0.394 4.743 4.350 -0.001 0.000 0.286 2135 T C 0.086 175.041 174.700 0.426 0.000 0.973 2135 T CA -0.245 61.973 62.100 0.197 0.000 1.035 2135 T CB 1.295 70.279 68.868 0.194 0.000 0.932 2135 T HN 0.605 nan 8.240 nan 0.000 0.469 2136 S N 2.485 118.425 115.700 0.400 0.000 2.874 2136 S HA 0.849 5.318 4.470 -0.001 0.000 0.318 2136 S C -1.254 173.508 174.600 0.270 0.000 1.109 2136 S CA -0.761 57.695 58.200 0.426 0.000 0.878 2136 S CB 0.617 64.090 63.200 0.455 0.000 1.307 2136 S HN 0.543 nan 8.310 nan 0.000 0.592 2137 L N 1.074 122.432 121.223 0.225 0.000 2.301 2137 L HA 0.695 5.035 4.340 -0.001 0.000 0.264 2137 L C -1.135 175.640 176.870 -0.157 0.000 1.016 2137 L CA -0.807 54.025 54.840 -0.014 0.000 0.821 2137 L CB 1.809 43.843 42.059 -0.041 0.000 1.346 2137 L HN 0.553 nan 8.230 nan 0.000 0.429 2138 I N 2.091 122.382 120.570 -0.464 0.000 2.499 2138 I HA 0.276 4.445 4.170 -0.001 0.000 0.288 2138 I C -1.272 174.587 176.117 -0.429 0.000 1.048 2138 I CA -0.418 60.576 61.300 -0.511 0.000 1.062 2138 I CB 2.500 40.028 38.000 -0.786 0.000 1.238 2138 I HN 0.270 nan 8.210 nan 0.000 0.426 2139 L N 6.864 127.938 121.223 -0.248 0.000 2.387 2139 L HA 0.394 4.733 4.340 -0.001 0.000 0.259 2139 L C -0.026 176.766 176.870 -0.131 0.000 1.050 2139 L CA -0.090 54.604 54.840 -0.243 0.000 0.922 2139 L CB 0.493 42.321 42.059 -0.385 0.000 1.280 2139 L HN 0.456 nan 8.230 nan 0.000 0.449 2140 E N 2.133 122.318 120.200 -0.025 0.000 2.480 2140 E HA 0.025 4.375 4.350 -0.001 0.000 0.258 2140 E C 1.088 177.728 176.600 0.066 0.000 0.984 2140 E CA 0.606 57.032 56.400 0.043 0.000 0.930 2140 E CB 0.864 30.629 29.700 0.109 0.000 0.936 2140 E HN 0.796 nan 8.360 nan 0.000 0.466 2141 G N 4.065 112.901 108.800 0.059 0.000 2.480 2141 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.216 2141 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.216 2141 G C 1.417 176.385 174.900 0.113 0.000 1.200 2141 G CA 0.985 46.140 45.100 0.092 0.000 0.782 2141 G HN 0.500 nan 8.290 nan 0.000 0.554 2142 K N 0.290 120.738 120.400 0.081 0.000 2.059 2142 K HA -0.185 4.135 4.320 -0.001 0.000 0.212 2142 K C 2.394 179.047 176.600 0.087 0.000 1.050 2142 K CA 1.942 58.271 56.287 0.070 0.000 0.927 2142 K CB -0.220 32.311 32.500 0.052 0.000 0.714 2142 K HN 0.384 nan 8.250 nan 0.000 0.447 2143 N N -1.349 117.418 118.700 0.111 0.000 2.216 2143 N HA -0.127 4.612 4.740 -0.001 0.000 0.183 2143 N C 1.452 177.086 175.510 0.206 0.000 1.017 2143 N CA 0.911 54.040 53.050 0.132 0.000 0.861 2143 N CB -0.145 38.411 38.487 0.116 0.000 0.986 2143 N HN 0.180 nan 8.380 nan 0.000 0.428 2144 Y N 0.867 121.203 120.300 0.061 0.000 2.220 2144 Y HA 0.004 4.553 4.550 -0.001 0.000 0.291 2144 Y C 1.813 177.799 175.900 0.143 0.000 1.129 2144 Y CA 0.813 58.966 58.100 0.088 0.000 1.161 2144 Y CB -0.346 38.110 38.460 -0.007 0.000 0.997 2144 Y HN -0.014 nan 8.280 nan 0.000 0.522 2145 L N 0.354 121.626 121.223 0.082 0.000 2.083 2145 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 2145 L C 2.410 179.268 176.870 -0.020 0.000 1.083 2145 L CA 1.886 56.721 54.840 -0.008 0.000 0.752 2145 L CB -1.218 40.860 42.059 0.031 0.000 0.899 2145 L HN 0.290 nan 8.230 nan 0.000 0.433 2146 Q N -1.787 118.035 119.800 0.036 0.000 2.079 2146 Q HA -0.248 4.091 4.340 -0.001 0.000 0.200 2146 Q C 2.102 178.119 176.000 0.029 0.000 0.974 2146 Q CA 1.862 57.675 55.803 0.016 0.000 0.840 2146 Q CB -0.608 28.159 28.738 0.047 0.000 0.898 2146 Q HN 0.515 nan 8.270 nan 0.000 0.430 2147 W N 0.190 121.440 121.300 -0.084 0.000 2.354 2147 W HA -0.137 4.523 4.660 -0.001 0.000 0.315 2147 W C 1.627 178.067 176.519 -0.132 0.000 1.206 2147 W CA 1.602 58.896 57.345 -0.086 0.000 1.290 2147 W CB -0.472 28.962 29.460 -0.043 0.000 1.152 2147 W HN 0.208 nan 8.180 nan 0.000 0.489 2148 L N 0.199 121.367 121.223 -0.092 0.000 2.021 2148 L HA -0.370 3.970 4.340 -0.001 0.000 0.215 2148 L C 2.442 179.156 176.870 -0.260 0.000 1.074 2148 L CA 2.226 56.900 54.840 -0.278 0.000 0.760 2148 L CB -1.304 40.626 42.059 -0.216 0.000 0.889 2148 L HN 0.040 nan 8.230 nan 0.000 0.433 2149 T N -0.903 113.538 114.554 -0.189 0.000 2.635 2149 T HA -0.249 4.101 4.350 -0.001 0.000 0.267 2149 T C 1.678 176.280 174.700 -0.164 0.000 1.040 2149 T CA 1.808 63.795 62.100 -0.188 0.000 1.156 2149 T CB -0.302 68.393 68.868 -0.289 0.000 0.863 2149 T HN 0.441 nan 8.240 nan 0.000 0.430 2150 E N 0.459 120.516 120.200 -0.238 0.000 2.110 2150 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 2150 E C 2.573 178.992 176.600 -0.303 0.000 0.988 2150 E CA 0.740 57.001 56.400 -0.233 0.000 0.804 2150 E CB -0.112 29.451 29.700 -0.227 0.000 0.745 2150 E HN 0.134 nan 8.360 nan 0.000 0.458 2151 R N 0.342 120.535 120.500 -0.511 0.000 2.091 2151 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 2151 R C 2.014 178.103 176.300 -0.351 0.000 1.136 2151 R CA 0.979 56.754 56.100 -0.541 0.000 0.959 2151 R CB -0.414 29.360 30.300 -0.875 0.000 0.856 2151 R HN 0.106 nan 8.270 nan 0.000 0.437 2152 L N -0.598 120.475 121.223 -0.249 0.000 2.068 2152 L HA -0.032 4.307 4.340 -0.001 0.000 0.204 2152 L C 2.051 178.824 176.870 -0.163 0.000 1.076 2152 L CA 1.880 56.604 54.840 -0.194 0.000 0.753 2152 L CB -1.176 40.879 42.059 -0.007 0.000 0.910 2152 L HN 0.177 nan 8.230 nan 0.000 0.439 2153 T N -0.009 114.534 114.554 -0.019 0.000 2.720 2153 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 2153 T C 1.583 176.224 174.700 -0.097 0.000 1.037 2153 T CA 1.576 63.665 62.100 -0.019 0.000 1.144 2153 T CB -0.271 68.616 68.868 0.032 0.000 0.864 2153 T HN 0.599 nan 8.240 nan 0.000 0.444 2154 E N 1.364 121.488 120.200 -0.125 0.000 2.268 2154 E HA -0.096 4.253 4.350 -0.001 0.000 0.195 2154 E C 1.792 178.311 176.600 -0.134 0.000 0.995 2154 E CA 0.643 56.974 56.400 -0.116 0.000 0.836 2154 E CB -0.215 29.417 29.700 -0.115 0.000 0.763 2154 E HN 0.384 nan 8.360 nan 0.000 0.491 2155 R N 0.522 120.887 120.500 -0.226 0.000 2.335 2155 R HA 0.116 4.455 4.340 -0.001 0.000 0.223 2155 R C 0.599 176.787 176.300 -0.187 0.000 0.940 2155 R CA 0.399 56.309 56.100 -0.315 0.000 1.086 2155 R CB 0.298 30.132 30.300 -0.777 0.000 1.073 2155 R HN 0.335 nan 8.270 nan 0.000 0.504 2156 G N 1.137 109.861 108.800 -0.127 0.000 2.295 2156 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.287 2156 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.287 2156 G C 0.009 174.841 174.900 -0.114 0.000 1.055 2156 G CA 0.036 45.090 45.100 -0.076 0.000 0.922 2156 G HN 0.195 nan 8.290 nan 0.000 0.503 2157 V N 0.726 120.505 119.914 -0.225 0.000 2.180 2157 V HA 0.221 4.340 4.120 -0.001 0.000 0.265 2157 V C 1.058 176.800 176.094 -0.588 0.000 1.214 2157 V CA -0.629 61.460 62.300 -0.351 0.000 1.130 2157 V CB 0.401 31.977 31.823 -0.413 0.000 1.266 2157 V HN 0.457 nan 8.190 nan 0.000 0.473 2158 K N 2.446 122.625 120.400 -0.369 0.000 2.527 2158 K HA 0.188 4.507 4.320 -0.001 0.000 0.278 2158 K C -0.681 175.538 176.600 -0.636 0.000 0.981 2158 K CA 0.721 56.753 56.287 -0.425 0.000 1.009 2158 K CB 0.302 32.652 32.500 -0.250 0.000 0.895 2158 K HN 0.355 nan 8.250 nan 0.000 0.493 2159 F N 3.048 122.702 119.950 -0.493 0.000 2.458 2159 F HA 0.427 4.954 4.527 -0.001 0.000 0.336 2159 F C -0.412 175.032 175.800 -0.594 0.000 1.114 2159 F CA -0.672 57.133 58.000 -0.324 0.000 0.987 2159 F CB 0.940 39.753 39.000 -0.311 0.000 1.130 2159 F HN 0.248 nan 8.300 nan 0.000 0.458 2160 F N 1.638 121.828 119.950 0.400 0.000 2.529 2160 F HA 0.343 4.870 4.527 -0.001 0.000 0.320 2160 F C -0.119 175.910 175.800 0.381 0.000 1.118 2160 F CA -1.045 57.123 58.000 0.279 0.000 0.915 2160 F CB 1.581 40.706 39.000 0.208 0.000 1.161 2160 F HN 0.283 nan 8.300 nan 0.000 0.445 2161 Q N 5.613 125.664 119.800 0.418 0.000 2.423 2161 Q HA 0.301 4.641 4.340 -0.001 0.000 0.235 2161 Q C -0.755 175.376 176.000 0.219 0.000 1.100 2161 Q CA -0.199 55.881 55.803 0.461 0.000 0.908 2161 Q CB 0.542 29.473 28.738 0.322 0.000 1.312 2161 Q HN 0.967 nan 8.270 nan 0.000 0.497 2162 R N 1.696 122.284 120.500 0.146 0.000 2.707 2162 R HA 0.462 4.801 4.340 -0.001 0.000 0.272 2162 R C -1.417 174.863 176.300 -0.033 0.000 1.011 2162 R CA -0.946 55.148 56.100 -0.009 0.000 0.893 2162 R CB 1.273 31.479 30.300 -0.156 0.000 1.233 2162 R HN 0.166 nan 8.270 nan 0.000 0.464 2163 K N 2.637 122.998 120.400 -0.065 0.000 2.263 2163 K HA 0.218 4.537 4.320 -0.001 0.000 0.282 2163 K C -0.761 175.793 176.600 -0.078 0.000 1.089 2163 K CA -0.572 55.667 56.287 -0.079 0.000 0.907 2163 K CB 1.306 33.750 32.500 -0.094 0.000 1.148 2163 K HN 0.439 nan 8.250 nan 0.000 0.470 2164 V N 4.937 124.820 119.914 -0.052 0.000 2.521 2164 V HA -0.003 4.116 4.120 -0.001 0.000 0.286 2164 V C 0.973 177.018 176.094 -0.081 0.000 1.034 2164 V CA 0.207 62.484 62.300 -0.037 0.000 1.045 2164 V CB 1.207 33.057 31.823 0.045 0.000 0.974 2164 V HN 0.859 nan 8.190 nan 0.000 0.480 2165 E N 2.442 122.591 120.200 -0.084 0.000 2.364 2165 E HA 0.119 4.469 4.350 -0.001 0.000 0.196 2165 E C 0.588 177.105 176.600 -0.139 0.000 0.990 2165 E CA 0.561 56.898 56.400 -0.104 0.000 0.886 2165 E CB 0.836 30.488 29.700 -0.079 0.000 0.866 2165 E HN 0.824 nan 8.360 nan 0.000 0.493 2166 S N -1.410 114.206 115.700 -0.139 0.000 2.578 2166 S HA 0.275 4.744 4.470 -0.001 0.000 0.272 2166 S C 0.086 174.623 174.600 -0.104 0.000 1.145 2166 S CA -0.711 57.377 58.200 -0.187 0.000 0.835 2166 S CB -0.046 63.106 63.200 -0.079 0.000 1.104 2166 S HN -0.145 nan 8.310 nan 0.000 0.458 2167 F N 2.175 122.154 119.950 0.049 0.000 2.186 2167 F HA 0.016 4.543 4.527 -0.001 0.000 0.299 2167 F C 2.716 178.546 175.800 0.051 0.000 1.090 2167 F CA 1.549 59.587 58.000 0.062 0.000 1.307 2167 F CB -0.584 38.461 39.000 0.075 0.000 1.019 2167 F HN 0.787 nan 8.300 nan 0.000 0.489 2168 E N 0.711 121.034 120.200 0.206 0.000 2.077 2168 E HA -0.273 4.077 4.350 -0.001 0.000 0.193 2168 E C 1.969 178.624 176.600 0.091 0.000 0.989 2168 E CA 1.323 57.797 56.400 0.123 0.000 0.800 2168 E CB -1.074 28.676 29.700 0.083 0.000 0.746 2168 E HN 0.589 nan 8.360 nan 0.000 0.452 2169 E N 1.131 121.373 120.200 0.070 0.000 2.114 2169 E HA -0.196 4.153 4.350 -0.001 0.000 0.199 2169 E C 2.129 178.777 176.600 0.080 0.000 1.008 2169 E CA 1.914 58.343 56.400 0.050 0.000 0.810 2169 E CB 0.160 29.872 29.700 0.020 0.000 0.739 2169 E HN 0.166 nan 8.360 nan 0.000 0.456 2170 V N 0.538 120.532 119.914 0.134 0.000 2.535 2170 V HA -0.076 4.044 4.120 -0.001 0.000 0.246 2170 V C 2.336 178.507 176.094 0.129 0.000 1.045 2170 V CA 1.303 63.706 62.300 0.172 0.000 1.058 2170 V CB -0.250 31.721 31.823 0.246 0.000 0.689 2170 V HN 0.418 nan 8.190 nan 0.000 0.461 2171 A N 0.466 123.357 122.820 0.119 0.000 1.902 2171 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 2171 A C 2.408 180.026 177.584 0.057 0.000 1.181 2171 A CA 1.994 54.078 52.037 0.079 0.000 0.623 2171 A CB -0.542 18.504 19.000 0.077 0.000 0.818 2171 A HN 0.454 nan 8.150 nan 0.000 0.443 2172 R N 0.647 121.181 120.500 0.056 0.000 2.070 2172 R HA -0.212 4.128 4.340 -0.001 0.000 0.233 2172 R C 2.028 178.346 176.300 0.030 0.000 1.137 2172 R CA 2.040 58.162 56.100 0.037 0.000 0.945 2172 R CB -0.454 29.865 30.300 0.032 0.000 0.845 2172 R HN 0.737 nan 8.270 nan 0.000 0.430 2173 E N -0.599 119.622 120.200 0.035 0.000 2.455 2173 E HA -0.038 4.311 4.350 -0.001 0.000 0.202 2173 E C 0.411 177.027 176.600 0.027 0.000 1.045 2173 E CA 0.835 57.251 56.400 0.026 0.000 0.872 2173 E CB -0.042 29.675 29.700 0.027 0.000 0.792 2173 E HN 0.533 nan 8.360 nan 0.000 0.542 2174 G N -0.058 108.762 108.800 0.033 0.000 3.002 2174 G HA2 0.182 4.141 3.960 -0.001 0.000 0.224 2174 G HA3 0.182 4.141 3.960 -0.001 0.000 0.224 2174 G C -0.429 174.487 174.900 0.027 0.000 1.013 2174 G CA -0.415 44.700 45.100 0.025 0.000 1.200 2174 G HN 0.713 nan 8.290 nan 0.000 0.589 2175 A N 0.594 123.432 122.820 0.031 0.000 2.422 2175 A HA 0.804 5.123 4.320 -0.001 0.000 0.302 2175 A C 0.596 178.190 177.584 0.017 0.000 1.041 2175 A CA 0.052 52.104 52.037 0.024 0.000 0.708 2175 A CB 1.188 20.205 19.000 0.028 0.000 1.257 2175 A HN 0.129 nan 8.150 nan 0.000 0.414 2176 D N 0.468 120.875 120.400 0.012 0.000 2.162 2176 D HA 0.099 4.738 4.640 -0.001 0.000 0.205 2176 D C 0.430 176.729 176.300 -0.001 0.000 0.964 2176 D CA 1.542 55.543 54.000 0.000 0.000 0.847 2176 D CB 0.115 40.912 40.800 -0.006 0.000 0.988 2176 D HN 0.267 nan 8.370 nan 0.000 0.480 2177 V N 1.350 121.279 119.914 0.025 0.000 2.656 2177 V HA 0.380 4.499 4.120 -0.001 0.000 0.307 2177 V C -0.258 175.850 176.094 0.023 0.000 1.051 2177 V CA -0.732 61.589 62.300 0.036 0.000 0.893 2177 V CB 2.685 34.592 31.823 0.141 0.000 0.999 2177 V HN -0.068 nan 8.190 nan 0.000 0.426 2178 I N 4.466 125.032 120.570 -0.007 0.000 2.382 2178 I HA 0.382 4.551 4.170 -0.001 0.000 0.285 2178 I C -0.564 175.557 176.117 0.007 0.000 1.007 2178 I CA -0.752 60.550 61.300 0.003 0.000 1.142 2178 I CB 1.865 39.868 38.000 0.005 0.000 1.289 2178 I HN 0.320 nan 8.210 nan 0.000 0.453 2179 V N 4.852 124.787 119.914 0.035 0.000 2.368 2179 V HA 0.209 4.328 4.120 -0.001 0.000 0.266 2179 V C 0.212 176.386 176.094 0.132 0.000 1.045 2179 V CA -0.634 61.700 62.300 0.057 0.000 0.899 2179 V CB 0.885 32.718 31.823 0.016 0.000 1.006 2179 V HN 0.651 nan 8.190 nan 0.000 0.470 2180 N N 4.019 122.848 118.700 0.216 0.000 2.437 2180 N HA 0.228 4.967 4.740 -0.001 0.000 0.243 2180 N C -0.097 175.606 175.510 0.321 0.000 1.041 2180 N CA -0.300 52.951 53.050 0.335 0.000 0.940 2180 N CB 0.646 39.450 38.487 0.529 0.000 1.133 2180 N HN 0.705 nan 8.380 nan 0.000 0.506 2181 C N 1.971 121.421 119.300 0.250 0.000 2.741 2181 C HA 0.168 4.627 4.460 -0.001 0.000 0.267 2181 C C 1.688 176.812 174.990 0.223 0.000 1.549 2181 C CA -0.398 58.763 59.018 0.238 0.000 1.772 2181 C CB -1.527 26.313 27.740 0.167 0.000 2.962 2181 C HN 0.812 nan 8.230 nan 0.000 0.514 2182 T N -1.509 113.172 114.554 0.212 0.000 3.228 2182 T HA 0.294 4.643 4.350 -0.001 0.000 0.261 2182 T C 1.557 176.415 174.700 0.263 0.000 1.171 2182 T CA 0.964 63.183 62.100 0.199 0.000 1.056 2182 T CB -0.149 68.793 68.868 0.122 0.000 0.938 2182 T HN 0.887 nan 8.240 nan 0.000 0.539 2183 G N 1.294 110.243 108.800 0.248 0.000 2.685 2183 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.329 2183 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.329 2183 G C 0.992 175.943 174.900 0.085 0.000 1.271 2183 G CA 0.749 45.986 45.100 0.227 0.000 1.003 2183 G HN 0.808 nan 8.290 nan 0.000 0.549 2184 V N 0.735 120.580 119.914 -0.115 0.000 2.809 2184 V HA 0.096 4.215 4.120 -0.001 0.000 0.256 2184 V C 1.717 177.677 176.094 -0.223 0.000 1.080 2184 V CA 2.151 64.261 62.300 -0.315 0.000 1.102 2184 V CB -0.377 31.074 31.823 -0.620 0.000 0.705 2184 V HN 0.598 nan 8.190 nan 0.000 0.475 2185 W N -0.576 120.795 121.300 0.118 0.000 3.391 2185 W HA 0.411 5.070 4.660 -0.001 0.000 0.372 2185 W C 1.917 178.375 176.519 -0.103 0.000 1.171 2185 W CA 0.210 57.572 57.345 0.027 0.000 1.862 2185 W CB -0.663 28.796 29.460 -0.003 0.000 1.048 2185 W HN 0.419 nan 8.180 nan 0.000 0.726 2186 A N 0.932 123.715 122.820 -0.061 0.000 1.972 2186 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 2186 A C 2.365 179.803 177.584 -0.244 0.000 1.169 2186 A CA 1.993 53.836 52.037 -0.324 0.000 0.635 2186 A CB -1.045 17.327 19.000 -1.047 0.000 0.810 2186 A HN 0.302 nan 8.150 nan 0.000 0.446 2187 G N -0.159 108.557 108.800 -0.139 0.000 2.469 2187 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.219 2187 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.219 2187 G C 1.739 176.585 174.900 -0.090 0.000 1.150 2187 G CA 1.535 46.586 45.100 -0.081 0.000 0.763 2187 G HN 0.858 nan 8.290 nan 0.000 0.561 2188 A N 0.400 123.166 122.820 -0.090 0.000 1.948 2188 A HA -0.006 4.314 4.320 -0.001 0.000 0.220 2188 A C 2.403 179.890 177.584 -0.162 0.000 1.177 2188 A CA 1.636 53.605 52.037 -0.113 0.000 0.636 2188 A CB -0.330 18.612 19.000 -0.098 0.000 0.815 2188 A HN 0.410 nan 8.150 nan 0.000 0.449 2189 L N -2.322 118.765 121.223 -0.227 0.000 2.307 2189 L HA 0.134 4.474 4.340 -0.001 0.000 0.211 2189 L C 1.224 177.939 176.870 -0.259 0.000 1.099 2189 L CA 0.588 55.182 54.840 -0.410 0.000 0.816 2189 L CB 0.126 41.721 42.059 -0.773 0.000 0.952 2189 L HN 0.573 nan 8.230 nan 0.000 0.455 2190 Q N 0.273 120.011 119.800 -0.103 0.000 2.331 2190 Q HA 0.219 4.558 4.340 -0.001 0.000 0.249 2190 Q C -0.721 175.283 176.000 0.007 0.000 0.913 2190 Q CA -0.592 55.227 55.803 0.026 0.000 0.874 2190 Q CB 1.520 30.370 28.738 0.188 0.000 1.384 2190 Q HN 0.050 nan 8.270 nan 0.000 0.427 2191 R N 2.175 122.685 120.500 0.018 0.000 2.619 2191 R HA -0.047 4.292 4.340 -0.001 0.000 0.268 2191 R C -1.019 175.310 176.300 0.048 0.000 0.990 2191 R CA 1.241 57.353 56.100 0.021 0.000 1.092 2191 R CB 0.435 30.750 30.300 0.027 0.000 0.935 2191 R HN 0.630 nan 8.270 nan 0.000 0.415 2192 D N 4.564 124.995 120.400 0.052 0.000 2.333 2192 D HA 0.150 4.789 4.640 -0.001 0.000 0.225 2192 D C -2.225 174.124 176.300 0.081 0.000 1.345 2192 D CA -1.251 52.800 54.000 0.086 0.000 0.971 2192 D CB 1.609 42.485 40.800 0.127 0.000 1.451 2192 D HN 0.304 nan 8.370 nan 0.000 0.561 2193 P HA 0.220 nan 4.420 nan 0.000 0.262 2193 P C 1.239 178.582 177.300 0.071 0.000 1.304 2193 P CA -0.060 63.081 63.100 0.068 0.000 0.859 2193 P CB 0.608 32.341 31.700 0.055 0.000 1.310 2194 L N -1.161 120.113 121.223 0.084 0.000 2.416 2194 L HA 0.133 4.472 4.340 -0.001 0.000 0.216 2194 L C 1.001 177.928 176.870 0.094 0.000 1.098 2194 L CA -0.062 54.828 54.840 0.084 0.000 0.840 2194 L CB -0.064 42.045 42.059 0.084 0.000 0.981 2194 L HN -0.001 nan 8.230 nan 0.000 0.462 2195 L N 1.256 122.548 121.223 0.115 0.000 2.363 2195 L HA 0.214 4.553 4.340 -0.001 0.000 0.286 2195 L C -0.201 176.704 176.870 0.057 0.000 1.106 2195 L CA 0.617 55.526 54.840 0.116 0.000 0.859 2195 L CB 0.308 42.472 42.059 0.176 0.000 1.223 2195 L HN 0.085 nan 8.230 nan 0.000 0.446 2196 Q N 6.277 126.077 119.800 -0.001 0.000 2.348 2196 Q HA 0.561 4.900 4.340 -0.001 0.000 0.271 2196 Q C -2.484 173.340 176.000 -0.292 0.000 1.067 2196 Q CA -2.148 53.590 55.803 -0.108 0.000 0.839 2196 Q CB 2.434 31.129 28.738 -0.072 0.000 1.354 2196 Q HN 0.417 nan 8.270 nan 0.000 0.447 2197 P HA 0.104 nan 4.420 nan 0.000 0.287 2197 P C -0.656 176.315 177.300 -0.549 0.000 1.294 2197 P CA -0.133 62.482 63.100 -0.808 0.000 0.776 2197 P CB 0.699 31.331 31.700 -1.781 0.000 0.889 2198 G N 4.216 112.776 108.800 -0.400 0.000 2.807 2198 G HA2 0.167 4.126 3.960 -0.001 0.000 0.316 2198 G HA3 0.167 4.126 3.960 -0.001 0.000 0.316 2198 G C 0.271 174.946 174.900 -0.376 0.000 0.900 2198 G CA -0.530 44.201 45.100 -0.615 0.000 1.499 2198 G HN 0.463 nan 8.290 nan 0.000 0.484 2199 R N 1.530 121.874 120.500 -0.261 0.000 2.638 2199 R HA 0.350 4.689 4.340 -0.001 0.000 0.268 2199 R C 0.342 176.584 176.300 -0.098 0.000 1.006 2199 R CA 0.687 56.769 56.100 -0.031 0.000 1.088 2199 R CB 0.385 30.720 30.300 0.058 0.000 0.950 2199 R HN 0.462 nan 8.270 nan 0.000 0.419 2200 G N 2.172 110.922 108.800 -0.084 0.000 2.667 2200 G HA2 0.298 4.257 3.960 -0.001 0.000 0.298 2200 G HA3 0.298 4.257 3.960 -0.001 0.000 0.298 2200 G C -1.889 172.977 174.900 -0.055 0.000 1.377 2200 G CA -0.541 44.541 45.100 -0.030 0.000 0.964 2200 G HN 0.570 nan 8.290 nan 0.000 0.493 2201 Q N 0.077 119.868 119.800 -0.016 0.000 2.356 2201 Q HA 0.685 5.024 4.340 -0.001 0.000 0.270 2201 Q C -0.998 174.982 176.000 -0.033 0.000 1.058 2201 Q CA -0.807 54.979 55.803 -0.027 0.000 0.802 2201 Q CB 2.089 30.825 28.738 -0.005 0.000 1.303 2201 Q HN 0.692 nan 8.270 nan 0.000 0.444 2202 I N -0.679 119.868 120.570 -0.037 0.000 3.145 2202 I HA 0.646 4.815 4.170 -0.001 0.000 0.313 2202 I C -1.161 174.933 176.117 -0.038 0.000 1.122 2202 I CA -1.092 60.174 61.300 -0.056 0.000 0.987 2202 I CB 2.147 40.134 38.000 -0.022 0.000 1.236 2202 I HN 0.638 nan 8.210 nan 0.000 0.453 2203 M N 2.197 121.770 119.600 -0.045 0.000 2.326 2203 M HA 0.502 4.981 4.480 -0.001 0.000 0.306 2203 M C -1.320 174.980 176.300 0.001 0.000 1.054 2203 M CA -0.742 54.550 55.300 -0.014 0.000 0.922 2203 M CB 1.752 34.346 32.600 -0.009 0.000 1.632 2203 M HN 0.469 nan 8.290 nan 0.000 0.436 2204 K N 3.185 123.594 120.400 0.015 0.000 2.234 2204 K HA 0.598 4.917 4.320 -0.001 0.000 0.277 2204 K C -1.346 175.271 176.600 0.029 0.000 1.038 2204 K CA -0.388 55.908 56.287 0.016 0.000 0.888 2204 K CB 1.856 34.365 32.500 0.014 0.000 1.091 2204 K HN 0.505 nan 8.250 nan 0.000 0.467 2205 V N 1.914 121.841 119.914 0.022 0.000 2.789 2205 V HA 0.134 4.254 4.120 -0.001 0.000 0.311 2205 V C -1.185 174.902 176.094 -0.013 0.000 1.073 2205 V CA -0.944 61.382 62.300 0.043 0.000 0.921 2205 V CB 2.463 34.345 31.823 0.098 0.000 1.009 2205 V HN 0.730 nan 8.190 nan 0.000 0.426 2206 D N 4.333 124.734 120.400 0.002 0.000 2.380 2206 D HA 0.641 5.281 4.640 -0.001 0.000 0.230 2206 D C -0.077 176.153 176.300 -0.116 0.000 1.154 2206 D CA 0.207 54.186 54.000 -0.036 0.000 0.859 2206 D CB 1.147 41.956 40.800 0.015 0.000 1.045 2206 D HN 0.770 nan 8.370 nan 0.000 0.495 2207 A N 5.097 127.724 122.820 -0.322 0.000 3.409 2207 A HA 0.319 4.638 4.320 -0.001 0.000 0.282 2207 A C -1.922 175.125 177.584 -0.896 0.000 1.064 2207 A CA -0.791 50.691 52.037 -0.925 0.000 0.889 2207 A CB 0.790 19.132 19.000 -1.097 0.000 1.251 2207 A HN 0.477 nan 8.150 nan 0.000 0.538 2208 P HA -0.161 nan 4.420 nan 0.000 0.223 2208 P C 0.967 178.239 177.300 -0.046 0.000 1.144 2208 P CA 1.168 64.192 63.100 -0.125 0.000 0.783 2208 P CB -0.275 31.446 31.700 0.035 0.000 0.771 2209 W N -1.035 120.280 121.300 0.025 0.000 3.180 2209 W HA 0.283 4.942 4.660 -0.001 0.000 0.254 2209 W C 0.373 176.922 176.519 0.050 0.000 1.318 2209 W CA -0.407 56.956 57.345 0.031 0.000 1.608 2209 W CB -1.054 28.424 29.460 0.030 0.000 1.124 2209 W HN -0.292 nan 8.180 nan 0.000 0.694 2210 M N 2.706 122.125 119.600 -0.300 0.000 2.084 2210 M HA 0.224 4.703 4.480 -0.001 0.000 0.351 2210 M C 0.407 176.695 176.300 -0.021 0.000 1.240 2210 M CA 0.187 55.418 55.300 -0.115 0.000 1.083 2210 M CB 1.177 33.639 32.600 -0.231 0.000 1.593 2210 M HN -0.039 nan 8.290 nan 0.000 0.463 2211 K N 1.684 122.108 120.400 0.041 0.000 2.374 2211 K HA 0.233 4.552 4.320 -0.001 0.000 0.202 2211 K C -0.256 176.185 176.600 -0.265 0.000 1.040 2211 K CA 0.280 56.502 56.287 -0.107 0.000 1.085 2211 K CB 0.418 32.817 32.500 -0.168 0.000 0.873 2211 K HN 0.673 nan 8.250 nan 0.000 0.539 2212 H N -0.149 118.979 119.070 0.097 0.000 2.690 2212 H HA 0.347 4.902 4.556 -0.001 0.000 0.368 2212 H C -0.421 174.949 175.328 0.070 0.000 1.150 2212 H CA -1.037 55.028 56.048 0.029 0.000 1.174 2212 H CB 1.105 30.961 29.762 0.157 0.000 1.684 2212 H HN -0.072 nan 8.280 nan 0.000 0.538 2213 F N 0.347 120.396 119.950 0.164 0.000 2.371 2213 F HA 0.629 5.156 4.527 -0.001 0.000 0.329 2213 F C -0.682 175.197 175.800 0.132 0.000 1.107 2213 F CA -1.102 56.956 58.000 0.097 0.000 1.137 2213 F CB 0.378 39.390 39.000 0.020 0.000 1.214 2213 F HN 0.291 nan 8.300 nan 0.000 0.536 2214 I N 3.912 124.678 120.570 0.328 0.000 2.517 2214 I HA 0.275 4.444 4.170 -0.001 0.000 0.280 2214 I C -1.366 174.771 176.117 0.034 0.000 1.061 2214 I CA -0.407 60.953 61.300 0.101 0.000 1.091 2214 I CB 1.464 39.394 38.000 -0.117 0.000 1.205 2214 I HN 0.508 nan 8.210 nan 0.000 0.459 2215 L N 5.683 126.922 121.223 0.026 0.000 2.282 2215 L HA 0.587 4.926 4.340 -0.001 0.000 0.288 2215 L C 0.679 177.267 176.870 -0.470 0.000 1.033 2215 L CA -0.500 54.248 54.840 -0.155 0.000 0.807 2215 L CB 1.496 43.491 42.059 -0.106 0.000 1.209 2215 L HN 0.568 nan 8.230 nan 0.000 0.423 2216 T N -1.643 112.568 114.554 -0.572 0.000 2.918 2216 T HA 0.482 4.832 4.350 -0.001 0.000 0.283 2216 T C -0.321 173.842 174.700 -0.896 0.000 1.001 2216 T CA -0.711 60.924 62.100 -0.776 0.000 1.041 2216 T CB 1.108 69.579 68.868 -0.662 0.000 1.028 2216 T HN 0.482 nan 8.240 nan 0.000 0.511 2217 H N 1.117 119.915 119.070 -0.454 0.000 2.840 2217 H HA 0.456 5.012 4.556 -0.001 0.000 0.340 2217 H C -1.430 173.894 175.328 -0.007 0.000 1.004 2217 H CA -0.579 55.316 56.048 -0.254 0.000 1.288 2217 H CB 1.906 31.387 29.762 -0.468 0.000 1.607 2217 H HN 0.858 nan 8.280 nan 0.000 0.522 2218 D N 4.405 124.900 120.400 0.159 0.000 2.472 2218 D HA 0.235 4.874 4.640 -0.001 0.000 0.248 2218 D C -2.067 174.341 176.300 0.179 0.000 1.271 2218 D CA -1.683 52.463 54.000 0.243 0.000 0.888 2218 D CB 1.348 42.312 40.800 0.273 0.000 1.337 2218 D HN 0.095 nan 8.370 nan 0.000 0.526 2219 P HA -0.212 nan 4.420 nan 0.000 0.220 2219 P C 1.001 178.346 177.300 0.075 0.000 1.144 2219 P CA 0.949 64.110 63.100 0.102 0.000 0.808 2219 P CB 0.298 32.059 31.700 0.102 0.000 0.763 2220 E N -0.864 119.390 120.200 0.089 0.000 2.110 2220 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 2220 E C 1.729 178.367 176.600 0.064 0.000 0.988 2220 E CA 1.063 57.501 56.400 0.063 0.000 0.804 2220 E CB -0.188 29.546 29.700 0.056 0.000 0.745 2220 E HN 0.388 nan 8.360 nan 0.000 0.458 2221 R N -0.353 120.193 120.500 0.077 0.000 2.437 2221 R HA 0.194 4.534 4.340 -0.001 0.000 0.257 2221 R C 0.330 176.671 176.300 0.068 0.000 0.927 2221 R CA 0.449 56.596 56.100 0.078 0.000 1.078 2221 R CB 1.095 31.449 30.300 0.090 0.000 1.161 2221 R HN 0.131 nan 8.270 nan 0.000 0.529 2222 G N 1.963 110.786 108.800 0.037 0.000 2.755 2222 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.686 2222 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.686 2222 G C -0.352 174.493 174.900 -0.090 0.000 1.427 2222 G CA -0.763 44.320 45.100 -0.028 0.000 0.873 2222 G HN 0.115 nan 8.290 nan 0.000 0.580 2223 I N 1.083 121.513 120.570 -0.233 0.000 2.948 2223 I HA 0.286 4.455 4.170 -0.001 0.000 0.290 2223 I C 1.500 177.386 176.117 -0.384 0.000 1.226 2223 I CA 0.977 62.068 61.300 -0.347 0.000 1.413 2223 I CB -0.139 37.541 38.000 -0.534 0.000 1.352 2223 I HN 0.939 nan 8.210 nan 0.000 0.597 2224 Y N 2.281 122.499 120.300 -0.137 0.000 4.899 2224 Y HA -0.329 4.220 4.550 -0.001 0.000 0.241 2224 Y C 1.454 177.457 175.900 0.172 0.000 0.976 2224 Y CA 1.095 59.202 58.100 0.011 0.000 1.952 2224 Y CB -2.080 36.419 38.460 0.066 0.000 1.496 2224 Y HN 0.754 nan 8.280 nan 0.000 0.545 2225 N N -0.056 118.785 118.700 0.235 0.000 2.238 2225 N HA 0.132 4.871 4.740 -0.001 0.000 0.222 2225 N C -0.364 175.232 175.510 0.144 0.000 1.133 2225 N CA 0.547 53.733 53.050 0.227 0.000 0.854 2225 N CB 0.408 39.028 38.487 0.222 0.000 1.041 2225 N HN 0.175 nan 8.380 nan 0.000 0.510 2226 S N 0.983 116.760 115.700 0.128 0.000 2.472 2226 S HA 0.519 4.988 4.470 -0.001 0.000 0.303 2226 S C -2.621 172.015 174.600 0.060 0.000 1.099 2226 S CA -1.341 56.894 58.200 0.058 0.000 1.077 2226 S CB 1.551 64.730 63.200 -0.036 0.000 1.031 2226 S HN 0.056 nan 8.310 nan 0.000 0.487 2227 P HA 0.121 nan 4.420 nan 0.000 0.261 2227 P C -1.386 175.882 177.300 -0.053 0.000 1.183 2227 P CA 0.370 63.420 63.100 -0.084 0.000 0.761 2227 P CB -0.176 31.474 31.700 -0.084 0.000 0.785 2228 Y N 1.483 121.717 120.300 -0.110 0.000 2.524 2228 Y HA 0.799 5.348 4.550 -0.001 0.000 0.347 2228 Y C -1.094 174.761 175.900 -0.074 0.000 1.005 2228 Y CA -1.666 56.365 58.100 -0.114 0.000 1.025 2228 Y CB 1.287 39.682 38.460 -0.107 0.000 1.275 2228 Y HN 0.115 nan 8.280 nan 0.000 0.460 2229 I N 4.480 125.128 120.570 0.131 0.000 2.439 2229 I HA 0.422 4.591 4.170 -0.001 0.000 0.285 2229 I C -1.134 175.086 176.117 0.173 0.000 1.021 2229 I CA -0.587 60.758 61.300 0.076 0.000 1.091 2229 I CB 1.772 39.781 38.000 0.015 0.000 1.242 2229 I HN 0.618 nan 8.210 nan 0.000 0.439 2230 I N 8.107 128.771 120.570 0.157 0.000 2.537 2230 I HA 0.300 4.470 4.170 -0.001 0.000 0.276 2230 I C -2.418 173.779 176.117 0.134 0.000 1.063 2230 I CA -1.824 59.579 61.300 0.171 0.000 1.144 2230 I CB 1.271 39.347 38.000 0.126 0.000 1.252 2230 I HN 0.209 nan 8.210 nan 0.000 0.480 2231 P HA -0.014 nan 4.420 nan 0.000 0.258 2231 P C 0.476 177.885 177.300 0.183 0.000 1.172 2231 P CA 0.395 63.556 63.100 0.101 0.000 0.762 2231 P CB 0.617 32.373 31.700 0.093 0.000 0.764 2232 G N 1.906 110.783 108.800 0.128 0.000 2.543 2232 G HA2 0.186 4.146 3.960 -0.001 0.000 0.267 2232 G HA3 0.186 4.146 3.960 -0.001 0.000 0.267 2232 G C 1.101 176.022 174.900 0.034 0.000 1.406 2232 G CA -0.088 45.130 45.100 0.198 0.000 1.048 2232 G HN 0.349 nan 8.290 nan 0.000 0.548 2233 T N -1.221 113.314 114.554 -0.031 0.000 2.737 2233 T HA -0.058 4.291 4.350 -0.001 0.000 0.265 2233 T C 2.081 176.690 174.700 -0.151 0.000 1.038 2233 T CA 1.673 63.626 62.100 -0.244 0.000 1.144 2233 T CB -0.106 68.674 68.868 -0.148 0.000 0.866 2233 T HN 0.295 nan 8.240 nan 0.000 0.434 2234 Q N -0.275 119.484 119.800 -0.069 0.000 2.378 2234 Q HA 0.294 4.633 4.340 -0.001 0.000 0.229 2234 Q C 0.835 176.808 176.000 -0.044 0.000 0.882 2234 Q CA 0.351 56.122 55.803 -0.052 0.000 0.936 2234 Q CB 1.063 29.784 28.738 -0.028 0.000 1.092 2234 Q HN 0.494 nan 8.270 nan 0.000 0.535 2235 T N -1.007 113.526 114.554 -0.034 0.000 2.821 2235 T HA 0.523 4.872 4.350 -0.001 0.000 0.306 2235 T C -1.482 173.199 174.700 -0.031 0.000 1.313 2235 T CA -0.568 61.512 62.100 -0.034 0.000 1.012 2235 T CB 1.616 70.477 68.868 -0.013 0.000 1.298 2235 T HN -0.218 nan 8.240 nan 0.000 0.502 2236 V N 3.310 123.192 119.914 -0.053 0.000 2.394 2236 V HA 0.435 4.555 4.120 -0.001 0.000 0.282 2236 V C 0.598 176.683 176.094 -0.016 0.000 1.031 2236 V CA -0.588 61.686 62.300 -0.044 0.000 0.881 2236 V CB 1.445 33.200 31.823 -0.113 0.000 0.982 2236 V HN 1.056 nan 8.190 nan 0.000 0.451 2237 T N 6.946 121.510 114.554 0.017 0.000 2.779 2237 T HA 0.440 4.790 4.350 -0.001 0.000 0.296 2237 T C -0.327 174.356 174.700 -0.028 0.000 0.938 2237 T CA -0.082 62.028 62.100 0.017 0.000 1.119 2237 T CB 0.301 69.211 68.868 0.070 0.000 0.891 2237 T HN 0.213 nan 8.240 nan 0.000 0.526 2238 L N 3.895 125.064 121.223 -0.089 0.000 2.287 2238 L HA 0.709 5.049 4.340 -0.001 0.000 0.287 2238 L C 0.697 177.367 176.870 -0.333 0.000 1.022 2238 L CA 0.183 54.909 54.840 -0.189 0.000 0.814 2238 L CB 1.277 43.263 42.059 -0.122 0.000 1.217 2238 L HN 0.835 nan 8.230 nan 0.000 0.420 2239 G N 0.672 109.020 108.800 -0.753 0.000 3.086 2239 G HA2 0.650 4.609 3.960 -0.001 0.000 0.282 2239 G HA3 0.650 4.609 3.960 -0.001 0.000 0.282 2239 G C -0.180 174.143 174.900 -0.961 0.000 1.343 2239 G CA -0.297 44.195 45.100 -1.013 0.000 0.895 2239 G HN 0.813 nan 8.290 nan 0.000 0.557 2240 G N -1.008 107.456 108.800 -0.560 0.000 2.507 2240 G HA2 0.173 4.133 3.960 -0.001 0.000 0.225 2240 G HA3 0.173 4.133 3.960 -0.001 0.000 0.225 2240 G C -0.592 174.368 174.900 0.100 0.000 1.078 2240 G CA -0.369 44.679 45.100 -0.086 0.000 0.939 2240 G HN 0.599 nan 8.290 nan 0.000 0.538 2241 I N 0.684 121.356 120.570 0.170 0.000 2.499 2241 I HA 0.640 4.809 4.170 -0.001 0.000 0.288 2241 I C -1.221 175.074 176.117 0.296 0.000 1.048 2241 I CA -1.385 60.024 61.300 0.181 0.000 1.062 2241 I CB 1.594 39.647 38.000 0.088 0.000 1.238 2241 I HN 0.131 nan 8.210 nan 0.000 0.426 2242 F N 6.065 126.092 119.950 0.128 0.000 2.671 2242 F HA 0.455 4.982 4.527 -0.001 0.000 0.332 2242 F C -0.970 174.885 175.800 0.091 0.000 1.189 2242 F CA -0.123 57.961 58.000 0.140 0.000 0.988 2242 F CB 1.335 40.470 39.000 0.225 0.000 1.258 2242 F HN 0.431 nan 8.300 nan 0.000 0.471 2243 Q N 7.348 126.958 119.800 -0.317 0.000 2.414 2243 Q HA 0.381 4.720 4.340 -0.001 0.000 0.256 2243 Q C -1.113 174.663 176.000 -0.373 0.000 0.974 2243 Q CA -0.679 55.000 55.803 -0.207 0.000 0.723 2243 Q CB 2.780 31.477 28.738 -0.070 0.000 1.281 2243 Q HN 0.659 nan 8.270 nan 0.000 0.470 2244 L N 1.012 122.027 121.223 -0.347 0.000 2.439 2244 L HA 0.244 4.584 4.340 -0.001 0.000 0.269 2244 L C 1.273 178.002 176.870 -0.235 0.000 1.179 2244 L CA 1.146 55.791 54.840 -0.325 0.000 0.828 2244 L CB 0.507 42.484 42.059 -0.137 0.000 1.106 2244 L HN 1.056 nan 8.230 nan 0.000 0.467 2245 G N 1.987 110.601 108.800 -0.310 0.000 2.245 2245 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.264 2245 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.264 2245 G C 0.416 175.126 174.900 -0.317 0.000 0.985 2245 G CA 0.334 45.269 45.100 -0.275 0.000 0.625 2245 G HN 0.651 nan 8.290 nan 0.000 0.536 2246 N N 0.273 118.792 118.700 -0.303 0.000 2.402 2246 N HA 0.300 5.039 4.740 -0.001 0.000 0.252 2246 N C 0.487 175.846 175.510 -0.252 0.000 1.118 2246 N CA -0.629 52.323 53.050 -0.164 0.000 0.945 2246 N CB 0.001 38.452 38.487 -0.059 0.000 1.147 2246 N HN 0.395 nan 8.380 nan 0.000 0.495 2247 W N 1.823 123.028 121.300 -0.158 0.000 3.353 2247 W HA 0.219 4.878 4.660 -0.001 0.000 0.304 2247 W C 1.032 177.530 176.519 -0.034 0.000 1.273 2247 W CA -0.466 56.656 57.345 -0.371 0.000 1.773 2247 W CB 0.353 29.625 29.460 -0.313 0.000 1.095 2247 W HN 0.386 nan 8.180 nan 0.000 0.676 2248 S N 1.872 117.766 115.700 0.323 0.000 2.423 2248 S HA -0.006 4.464 4.470 -0.001 0.000 0.302 2248 S C 0.208 175.078 174.600 0.450 0.000 1.143 2248 S CA -0.267 58.129 58.200 0.326 0.000 1.080 2248 S CB -0.004 63.313 63.200 0.195 0.000 1.081 2248 S HN 0.226 nan 8.310 nan 0.000 0.522 2249 E N 4.801 125.313 120.200 0.520 0.000 1.856 2249 E HA 0.361 4.710 4.350 -0.001 0.000 0.263 2249 E C -1.018 175.675 176.600 0.155 0.000 1.137 2249 E CA -0.312 56.290 56.400 0.336 0.000 1.007 2249 E CB 0.051 30.013 29.700 0.435 0.000 1.117 2249 E HN 0.527 nan 8.360 nan 0.000 0.438 2250 L N 3.945 125.227 121.223 0.098 0.000 2.847 2250 L HA 0.277 4.617 4.340 -0.001 0.000 0.261 2250 L C -1.707 175.194 176.870 0.051 0.000 0.926 2250 L CA -0.678 54.205 54.840 0.071 0.000 1.010 2250 L CB 1.388 43.499 42.059 0.087 0.000 1.538 2250 L HN 0.182 nan 8.230 nan 0.000 0.465 2251 N N 2.889 121.610 118.700 0.034 0.000 2.458 2251 N HA 0.102 4.841 4.740 -0.001 0.000 0.258 2251 N C -0.499 175.038 175.510 0.045 0.000 1.219 2251 N CA 0.261 53.333 53.050 0.036 0.000 0.902 2251 N CB 0.510 39.020 38.487 0.039 0.000 1.076 2251 N HN 0.690 nan 8.380 nan 0.000 0.455 2252 N N 1.454 120.187 118.700 0.055 0.000 2.408 2252 N HA 0.218 4.957 4.740 -0.001 0.000 0.280 2252 N C 1.017 176.567 175.510 0.066 0.000 1.002 2252 N CA -0.482 52.600 53.050 0.054 0.000 0.907 2252 N CB 1.000 39.521 38.487 0.057 0.000 1.161 2252 N HN 0.545 nan 8.380 nan 0.000 0.488 2253 I N 2.252 122.841 120.570 0.032 0.000 2.335 2253 I HA -0.243 3.926 4.170 -0.001 0.000 0.251 2253 I C 1.811 177.963 176.117 0.058 0.000 1.129 2253 I CA 1.263 62.565 61.300 0.003 0.000 1.402 2253 I CB 0.174 38.141 38.000 -0.055 0.000 1.069 2253 I HN 0.702 nan 8.210 nan 0.000 0.424 2254 Q N 0.740 120.577 119.800 0.062 0.000 2.123 2254 Q HA -0.208 4.131 4.340 -0.001 0.000 0.199 2254 Q C 1.680 177.740 176.000 0.100 0.000 0.966 2254 Q CA 1.760 57.608 55.803 0.075 0.000 0.845 2254 Q CB -0.169 28.603 28.738 0.056 0.000 0.907 2254 Q HN 0.441 nan 8.270 nan 0.000 0.439 2255 D N -1.314 119.145 120.400 0.098 0.000 2.224 2255 D HA -0.122 4.517 4.640 -0.001 0.000 0.205 2255 D C 1.527 177.898 176.300 0.118 0.000 0.965 2255 D CA 1.046 55.101 54.000 0.091 0.000 0.852 2255 D CB -0.116 40.726 40.800 0.070 0.000 0.947 2255 D HN 0.538 nan 8.370 nan 0.000 0.494 2256 H N 1.225 120.318 119.070 0.038 0.000 2.253 2256 H HA -0.084 4.471 4.556 -0.001 0.000 0.299 2256 H C 1.812 177.198 175.328 0.097 0.000 1.064 2256 H CA 2.081 58.158 56.048 0.048 0.000 1.264 2256 H CB 0.113 29.883 29.762 0.014 0.000 1.371 2256 H HN -0.062 nan 8.280 nan 0.000 0.493 2257 N N -0.001 118.926 118.700 0.378 0.000 2.060 2257 N HA -0.169 4.570 4.740 -0.001 0.000 0.195 2257 N C 1.952 177.578 175.510 0.194 0.000 1.028 2257 N CA 1.977 55.213 53.050 0.310 0.000 0.861 2257 N CB -0.906 37.715 38.487 0.223 0.000 1.029 2257 N HN 0.481 nan 8.380 nan 0.000 0.428 2258 T N 2.278 116.911 114.554 0.132 0.000 2.635 2258 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 2258 T C 2.191 176.921 174.700 0.049 0.000 1.040 2258 T CA 1.127 63.278 62.100 0.084 0.000 1.156 2258 T CB -0.377 68.534 68.868 0.071 0.000 0.863 2258 T HN 0.199 nan 8.240 nan 0.000 0.430 2259 I N -0.123 120.460 120.570 0.022 0.000 2.163 2259 I HA -0.196 3.973 4.170 -0.001 0.000 0.243 2259 I C 2.491 178.597 176.117 -0.020 0.000 1.085 2259 I CA 1.466 62.740 61.300 -0.044 0.000 1.347 2259 I CB -0.362 37.587 38.000 -0.085 0.000 1.044 2259 I HN 0.440 nan 8.210 nan 0.000 0.408 2260 W N 1.899 123.103 121.300 -0.160 0.000 2.381 2260 W HA -0.186 4.474 4.660 -0.001 0.000 0.301 2260 W C 2.302 178.792 176.519 -0.048 0.000 1.205 2260 W CA 1.543 58.807 57.345 -0.135 0.000 1.285 2260 W CB 0.014 29.374 29.460 -0.167 0.000 1.133 2260 W HN 0.104 nan 8.180 nan 0.000 0.521 2261 E N -0.135 120.119 120.200 0.089 0.000 2.028 2261 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 2261 E C 2.474 179.036 176.600 -0.064 0.000 0.988 2261 E CA 2.032 58.445 56.400 0.022 0.000 0.799 2261 E CB -1.194 28.567 29.700 0.103 0.000 0.755 2261 E HN 0.260 nan 8.360 nan 0.000 0.447 2262 G N -0.331 108.448 108.800 -0.036 0.000 2.475 2262 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.220 2262 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.220 2262 G C 1.688 176.528 174.900 -0.100 0.000 1.125 2262 G CA 1.262 46.337 45.100 -0.042 0.000 0.755 2262 G HN 0.363 nan 8.290 nan 0.000 0.565 2263 C N -0.742 118.444 119.300 -0.190 0.000 2.507 2263 C HA 0.113 4.573 4.460 -0.001 0.000 0.280 2263 C C 3.020 177.849 174.990 -0.269 0.000 1.345 2263 C CA 0.256 59.134 59.018 -0.234 0.000 1.736 2263 C CB -0.881 26.692 27.740 -0.279 0.000 2.060 2263 C HN 0.580 nan 8.230 nan 0.000 0.498 2264 C N 0.334 119.392 119.300 -0.404 0.000 2.422 2264 C HA -0.091 4.369 4.460 -0.001 0.000 0.279 2264 C C 2.846 177.752 174.990 -0.141 0.000 1.305 2264 C CA 0.987 59.794 59.018 -0.352 0.000 1.757 2264 C CB -1.410 26.034 27.740 -0.493 0.000 1.962 2264 C HN 0.599 nan 8.230 nan 0.000 0.499 2265 R N 0.163 120.610 120.500 -0.089 0.000 2.115 2265 R HA -0.023 4.316 4.340 -0.001 0.000 0.230 2265 R C 2.159 178.482 176.300 0.039 0.000 1.111 2265 R CA 0.992 57.089 56.100 -0.006 0.000 0.976 2265 R CB -0.240 30.071 30.300 0.018 0.000 0.870 2265 R HN 0.515 nan 8.270 nan 0.000 0.445 2266 L N -0.166 121.067 121.223 0.017 0.000 2.162 2266 L HA -0.008 4.331 4.340 -0.001 0.000 0.205 2266 L C -0.038 176.910 176.870 0.130 0.000 1.086 2266 L CA 1.004 55.883 54.840 0.065 0.000 0.778 2266 L CB 0.288 42.316 42.059 -0.052 0.000 0.928 2266 L HN 0.088 nan 8.230 nan 0.000 0.446 2267 E N -0.778 119.447 120.200 0.041 0.000 2.731 2267 E HA 0.218 4.567 4.350 -0.001 0.000 0.248 2267 E C -2.113 174.499 176.600 0.020 0.000 1.084 2267 E CA -1.809 54.632 56.400 0.068 0.000 0.776 2267 E CB 1.296 31.045 29.700 0.081 0.000 1.404 2267 E HN -0.061 nan 8.360 nan 0.000 0.395 2268 P HA -0.137 nan 4.420 nan 0.000 0.226 2268 P C 0.966 178.286 177.300 0.033 0.000 1.146 2268 P CA 1.306 64.408 63.100 0.002 0.000 0.773 2268 P CB 0.122 31.823 31.700 0.003 0.000 0.772 2269 T N -3.948 110.661 114.554 0.092 0.000 3.072 2269 T HA -0.055 4.294 4.350 -0.001 0.000 0.266 2269 T C 1.525 176.407 174.700 0.304 0.000 1.127 2269 T CA 0.497 62.695 62.100 0.164 0.000 1.107 2269 T CB -0.822 68.189 68.868 0.238 0.000 0.910 2269 T HN -0.040 nan 8.240 nan 0.000 0.513 2270 L N 0.236 121.561 121.223 0.169 0.000 2.418 2270 L HA 0.394 4.733 4.340 -0.001 0.000 0.218 2270 L C 2.409 179.285 176.870 0.010 0.000 1.125 2270 L CA 1.019 55.904 54.840 0.075 0.000 0.835 2270 L CB -0.465 41.490 42.059 -0.173 0.000 0.953 2270 L HN 0.107 nan 8.230 nan 0.000 0.454 2271 K N -0.552 119.861 120.400 0.022 0.000 2.286 2271 K HA -0.149 4.170 4.320 -0.001 0.000 0.203 2271 K C 1.495 178.297 176.600 0.336 0.000 1.045 2271 K CA 1.255 57.624 56.287 0.137 0.000 0.935 2271 K CB -0.014 32.550 32.500 0.106 0.000 0.737 2271 K HN 0.361 nan 8.250 nan 0.000 0.460 2272 N N -0.811 118.066 118.700 0.295 0.000 2.197 2272 N HA 0.105 4.844 4.740 -0.001 0.000 0.201 2272 N C -0.501 175.216 175.510 0.346 0.000 1.148 2272 N CA 0.091 53.309 53.050 0.280 0.000 0.883 2272 N CB 0.707 39.292 38.487 0.164 0.000 1.012 2272 N HN 0.055 nan 8.380 nan 0.000 0.507 2273 A N 1.479 124.560 122.820 0.435 0.000 2.520 2273 A HA 0.136 4.455 4.320 -0.001 0.000 0.235 2273 A C 0.549 178.322 177.584 0.315 0.000 1.065 2273 A CA 0.164 52.428 52.037 0.379 0.000 0.764 2273 A CB 0.260 19.411 19.000 0.251 0.000 1.002 2273 A HN 0.191 nan 8.150 nan 0.000 0.502 2274 R N 1.441 122.062 120.500 0.202 0.000 2.308 2274 R HA 0.431 4.770 4.340 -0.001 0.000 0.305 2274 R C -0.652 175.708 176.300 0.099 0.000 1.053 2274 R CA -0.341 55.835 56.100 0.125 0.000 0.957 2274 R CB -0.071 30.284 30.300 0.091 0.000 1.022 2274 R HN 0.587 nan 8.270 nan 0.000 0.461 2275 I N 6.774 127.373 120.570 0.049 0.000 2.421 2275 I HA -0.013 4.156 4.170 -0.001 0.000 0.291 2275 I C 0.714 176.846 176.117 0.024 0.000 1.089 2275 I CA -0.180 61.139 61.300 0.031 0.000 1.354 2275 I CB 0.648 38.623 38.000 -0.041 0.000 1.413 2275 I HN 0.610 nan 8.210 nan 0.000 0.513 2276 I N 4.704 125.292 120.570 0.030 0.000 2.867 2276 I HA 0.249 4.418 4.170 -0.001 0.000 0.265 2276 I C 1.150 177.277 176.117 0.017 0.000 1.162 2276 I CA 0.495 61.807 61.300 0.020 0.000 1.471 2276 I CB -0.801 37.209 38.000 0.017 0.000 1.123 2276 I HN 0.669 nan 8.210 nan 0.000 0.440 2277 G N 0.309 109.121 108.800 0.020 0.000 2.489 2277 G HA2 0.461 4.421 3.960 -0.001 0.000 0.291 2277 G HA3 0.461 4.421 3.960 -0.001 0.000 0.291 2277 G C -1.333 173.580 174.900 0.022 0.000 1.487 2277 G CA -0.590 44.522 45.100 0.019 0.000 0.795 2277 G HN 0.025 nan 8.290 nan 0.000 0.513 2278 E N -0.025 120.189 120.200 0.024 0.000 2.312 2278 E HA 0.741 5.090 4.350 -0.001 0.000 0.267 2278 E C -0.729 175.877 176.600 0.010 0.000 0.894 2278 E CA -1.029 55.385 56.400 0.024 0.000 0.773 2278 E CB 2.629 32.361 29.700 0.053 0.000 1.241 2278 E HN 0.305 nan 8.360 nan 0.000 0.432 2279 R N 0.404 120.902 120.500 -0.003 0.000 2.710 2279 R HA 0.555 4.894 4.340 -0.001 0.000 0.270 2279 R C -1.199 175.072 176.300 -0.048 0.000 1.021 2279 R CA -0.704 55.383 56.100 -0.021 0.000 0.889 2279 R CB 2.168 32.455 30.300 -0.021 0.000 1.243 2279 R HN 0.534 nan 8.270 nan 0.000 0.464 2280 T N 0.019 114.519 114.554 -0.090 0.000 2.886 2280 T HA 0.761 5.110 4.350 -0.001 0.000 0.292 2280 T C -0.401 174.102 174.700 -0.329 0.000 1.012 2280 T CA -0.746 61.251 62.100 -0.171 0.000 0.982 2280 T CB 2.359 71.143 68.868 -0.141 0.000 1.018 2280 T HN 0.723 nan 8.240 nan 0.000 0.451 2281 G N 1.077 109.609 108.800 -0.446 0.000 2.695 2281 G HA2 0.711 4.670 3.960 -0.001 0.000 0.290 2281 G HA3 0.711 4.670 3.960 -0.001 0.000 0.290 2281 G C -1.989 172.483 174.900 -0.714 0.000 1.410 2281 G CA -0.766 43.970 45.100 -0.608 0.000 0.844 2281 G HN 0.499 nan 8.290 nan 0.000 0.478 2282 F N 0.673 120.547 119.950 -0.126 0.000 2.445 2282 F HA 0.535 5.061 4.527 -0.001 0.000 0.348 2282 F C 0.849 176.494 175.800 -0.258 0.000 1.125 2282 F CA -1.014 56.826 58.000 -0.266 0.000 0.983 2282 F CB 1.675 40.417 39.000 -0.430 0.000 1.198 2282 F HN 0.116 nan 8.300 nan 0.000 0.436 2283 R N 2.980 123.447 120.500 -0.056 0.000 2.570 2283 R HA 0.150 4.489 4.340 -0.001 0.000 0.277 2283 R C -2.366 173.898 176.300 -0.061 0.000 1.039 2283 R CA -1.416 54.660 56.100 -0.041 0.000 1.065 2283 R CB 0.050 30.372 30.300 0.037 0.000 0.964 2283 R HN 0.240 nan 8.270 nan 0.000 0.428 2284 P HA 0.037 nan 4.420 nan 0.000 0.244 2284 P C -0.618 176.710 177.300 0.047 0.000 1.769 2284 P CA -0.034 63.055 63.100 -0.019 0.000 1.102 2284 P CB 0.215 31.950 31.700 0.058 0.000 1.937 2285 V N 4.072 124.018 119.914 0.054 0.000 2.446 2285 V HA 0.140 4.259 4.120 -0.001 0.000 0.276 2285 V C 0.991 177.161 176.094 0.127 0.000 1.030 2285 V CA 0.394 62.789 62.300 0.158 0.000 1.033 2285 V CB -0.351 31.600 31.823 0.213 0.000 0.993 2285 V HN 0.372 nan 8.190 nan 0.000 0.477 2286 R N 4.745 125.336 120.500 0.152 0.000 2.725 2286 R HA 0.392 4.731 4.340 -0.001 0.000 0.277 2286 R C -2.011 174.374 176.300 0.142 0.000 0.987 2286 R CA -1.728 54.448 56.100 0.127 0.000 0.901 2286 R CB 2.483 32.843 30.300 0.100 0.000 1.207 2286 R HN 0.347 nan 8.270 nan 0.000 0.463 2287 P HA -0.155 nan 4.420 nan 0.000 0.223 2287 P C -0.977 176.394 177.300 0.119 0.000 1.144 2287 P CA 1.049 64.214 63.100 0.108 0.000 0.783 2287 P CB 0.236 31.980 31.700 0.074 0.000 0.771 2288 Q N -2.480 117.381 119.800 0.100 0.000 2.468 2288 Q HA 0.342 4.682 4.340 -0.001 0.000 0.263 2288 Q C -1.071 174.948 176.000 0.032 0.000 0.979 2288 Q CA -0.719 55.143 55.803 0.098 0.000 0.932 2288 Q CB 0.016 28.797 28.738 0.073 0.000 1.462 2288 Q HN -0.186 nan 8.270 nan 0.000 0.403 2289 I N 2.151 122.736 120.570 0.024 0.000 3.015 2289 I HA -0.123 4.046 4.170 -0.001 0.000 0.309 2289 I C 0.593 176.625 176.117 -0.141 0.000 1.229 2289 I CA 0.680 61.895 61.300 -0.142 0.000 1.430 2289 I CB 0.229 38.167 38.000 -0.102 0.000 1.347 2289 I HN 0.554 nan 8.210 nan 0.000 0.544 2290 R N 6.721 127.009 120.500 -0.353 0.000 2.608 2290 R HA 0.268 4.607 4.340 -0.001 0.000 0.277 2290 R C -1.182 174.952 176.300 -0.278 0.000 1.341 2290 R CA -0.707 55.179 56.100 -0.355 0.000 1.199 2290 R CB 0.163 30.099 30.300 -0.606 0.000 1.156 2290 R HN 0.409 nan 8.270 nan 0.000 0.558 2291 L N 5.204 126.375 121.223 -0.086 0.000 2.294 2291 L HA 0.412 4.751 4.340 -0.001 0.000 0.283 2291 L C -0.906 175.968 176.870 0.007 0.000 1.015 2291 L CA -0.029 54.778 54.840 -0.055 0.000 0.831 2291 L CB 0.888 42.866 42.059 -0.136 0.000 1.217 2291 L HN 0.765 nan 8.230 nan 0.000 0.420 2292 E N 3.768 123.964 120.200 -0.006 0.000 2.411 2292 E HA 0.347 4.696 4.350 -0.001 0.000 0.279 2292 E C -1.421 175.126 176.600 -0.089 0.000 1.132 2292 E CA -1.061 55.330 56.400 -0.016 0.000 0.876 2292 E CB 0.997 30.704 29.700 0.012 0.000 1.335 2292 E HN 0.467 nan 8.360 nan 0.000 0.436 2293 R N 0.170 120.613 120.500 -0.094 0.000 2.532 2293 R HA 0.470 4.809 4.340 -0.001 0.000 0.272 2293 R C -0.576 175.612 176.300 -0.187 0.000 1.032 2293 R CA -0.421 55.587 56.100 -0.152 0.000 1.089 2293 R CB 1.083 31.322 30.300 -0.100 0.000 1.098 2293 R HN 0.638 nan 8.270 nan 0.000 0.526 2294 E N 1.653 121.703 120.200 -0.251 0.000 2.404 2294 E HA 0.055 4.405 4.350 -0.001 0.000 0.298 2294 E C -1.387 175.113 176.600 -0.168 0.000 0.908 2294 E CA -0.395 55.891 56.400 -0.191 0.000 0.808 2294 E CB 1.036 30.608 29.700 -0.213 0.000 1.380 2294 E HN 0.439 nan 8.360 nan 0.000 0.392 2295 Q N 2.660 122.398 119.800 -0.103 0.000 2.332 2295 Q HA 0.344 4.683 4.340 -0.001 0.000 0.263 2295 Q C -0.820 175.145 176.000 -0.058 0.000 0.979 2295 Q CA -0.137 55.616 55.803 -0.083 0.000 0.885 2295 Q CB 1.226 29.928 28.738 -0.060 0.000 1.218 2295 Q HN 0.386 nan 8.270 nan 0.000 0.405 2296 L N 2.483 123.674 121.223 -0.053 0.000 2.476 2296 L HA 0.311 4.651 4.340 -0.001 0.000 0.269 2296 L C -0.925 175.946 176.870 0.002 0.000 0.965 2296 L CA -0.271 54.559 54.840 -0.017 0.000 0.845 2296 L CB 1.841 43.883 42.059 -0.027 0.000 1.259 2296 L HN 0.513 nan 8.230 nan 0.000 0.403 2297 R N 2.412 122.923 120.500 0.017 0.000 2.513 2297 R HA 0.157 4.496 4.340 -0.001 0.000 0.333 2297 R C 0.171 176.486 176.300 0.026 0.000 0.925 2297 R CA 0.506 56.616 56.100 0.017 0.000 1.072 2297 R CB 0.203 30.515 30.300 0.020 0.000 0.914 2297 R HN 0.693 nan 8.270 nan 0.000 0.408 2298 T N 1.356 115.921 114.554 0.017 0.000 2.897 2298 T HA 0.314 4.663 4.350 -0.001 0.000 0.278 2298 T C 1.707 176.417 174.700 0.016 0.000 0.981 2298 T CA -0.035 62.078 62.100 0.022 0.000 0.973 2298 T CB 1.292 70.170 68.868 0.017 0.000 1.092 2298 T HN 0.658 nan 8.240 nan 0.000 0.543 2299 G N 2.419 111.229 108.800 0.016 0.000 2.812 2299 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 2299 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 2299 G C -0.738 174.165 174.900 0.006 0.000 1.287 2299 G CA 1.371 46.478 45.100 0.011 0.000 0.796 2299 G HN 0.676 nan 8.290 nan 0.000 0.649 2300 P HA 0.109 nan 4.420 nan 0.000 0.200 2300 P C 0.570 177.867 177.300 -0.004 0.000 1.048 2300 P CA 1.095 64.194 63.100 -0.001 0.000 0.734 2300 P CB -0.501 31.197 31.700 -0.003 0.000 0.648 2301 S N 0.263 115.959 115.700 -0.008 0.000 2.422 2301 S HA 0.305 4.774 4.470 -0.001 0.000 0.308 2301 S C 0.012 174.603 174.600 -0.015 0.000 1.097 2301 S CA -0.941 57.251 58.200 -0.013 0.000 1.099 2301 S CB -0.808 62.381 63.200 -0.019 0.000 0.976 2301 S HN 0.346 nan 8.310 nan 0.000 0.471 2302 N N 2.155 120.847 118.700 -0.014 0.000 1.960 2302 N HA -0.060 4.679 4.740 -0.001 0.000 0.299 2302 N C 0.107 175.601 175.510 -0.027 0.000 1.267 2302 N CA 0.489 53.530 53.050 -0.016 0.000 0.802 2302 N CB -0.409 38.067 38.487 -0.019 0.000 1.031 2302 N HN 0.751 nan 8.380 nan 0.000 0.490 2303 T N -0.939 113.601 114.554 -0.023 0.000 2.869 2303 T HA 0.161 4.511 4.350 -0.001 0.000 0.295 2303 T C 0.025 174.687 174.700 -0.063 0.000 0.987 2303 T CA -0.920 61.161 62.100 -0.032 0.000 1.109 2303 T CB 0.845 69.706 68.868 -0.010 0.000 0.932 2303 T HN 0.440 nan 8.240 nan 0.000 0.518 2304 E N 1.969 122.127 120.200 -0.071 0.000 2.338 2304 E HA 0.388 4.737 4.350 -0.001 0.000 0.272 2304 E C -0.455 176.071 176.600 -0.123 0.000 1.029 2304 E CA -0.364 55.977 56.400 -0.097 0.000 0.872 2304 E CB 1.561 31.206 29.700 -0.092 0.000 1.015 2304 E HN 0.543 nan 8.360 nan 0.000 0.417 2305 V N 4.163 123.964 119.914 -0.188 0.000 2.588 2305 V HA 0.462 4.581 4.120 -0.001 0.000 0.304 2305 V C 0.056 175.982 176.094 -0.281 0.000 1.042 2305 V CA -0.759 61.379 62.300 -0.269 0.000 0.877 2305 V CB 1.619 33.163 31.823 -0.466 0.000 0.996 2305 V HN 0.486 nan 8.190 nan 0.000 0.425 2306 I N 3.563 124.026 120.570 -0.179 0.000 2.406 2306 I HA 0.465 4.635 4.170 -0.001 0.000 0.290 2306 I C -0.241 175.865 176.117 -0.018 0.000 0.999 2306 I CA -0.313 60.906 61.300 -0.136 0.000 1.124 2306 I CB 1.356 39.337 38.000 -0.032 0.000 1.289 2306 I HN 0.664 nan 8.210 nan 0.000 0.441 2307 H N 4.842 123.934 119.070 0.037 0.000 2.487 2307 H HA 0.410 4.965 4.556 -0.001 0.000 0.333 2307 H C -0.272 175.077 175.328 0.034 0.000 1.114 2307 H CA -0.704 55.411 56.048 0.113 0.000 1.310 2307 H CB 1.162 30.998 29.762 0.123 0.000 1.462 2307 H HN 0.382 nan 8.280 nan 0.000 0.516 2308 N N 2.717 121.571 118.700 0.257 0.000 2.839 2308 N HA 0.062 4.801 4.740 -0.001 0.000 0.230 2308 N C -2.021 173.706 175.510 0.362 0.000 1.388 2308 N CA -0.529 52.617 53.050 0.161 0.000 0.747 2308 N CB 0.146 38.719 38.487 0.143 0.000 1.411 2308 N HN 0.583 nan 8.380 nan 0.000 0.556 2309 Y N -1.135 119.254 120.300 0.147 0.000 2.638 2309 Y HA 0.744 5.294 4.550 -0.001 0.000 0.335 2309 Y C 0.561 176.400 175.900 -0.103 0.000 1.155 2309 Y CA -0.891 57.304 58.100 0.157 0.000 1.046 2309 Y CB 0.968 39.507 38.460 0.133 0.000 1.303 2309 Y HN 0.276 nan 8.280 nan 0.000 0.460 2310 G N 1.349 110.266 108.800 0.195 0.000 2.467 2310 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.242 2310 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.242 2310 G C -0.709 174.070 174.900 -0.202 0.000 1.127 2310 G CA 0.130 45.247 45.100 0.029 0.000 0.924 2310 G HN 1.059 nan 8.290 nan 0.000 0.499 2311 H N -0.232 118.764 119.070 -0.123 0.000 2.529 2311 H HA 0.458 5.013 4.556 -0.001 0.000 0.277 2311 H C 2.072 176.986 175.328 -0.690 0.000 1.004 2311 H CA 1.036 56.826 56.048 -0.430 0.000 1.167 2311 H CB 0.459 30.029 29.762 -0.321 0.000 1.445 2311 H HN 1.377 nan 8.280 nan 0.000 0.554 2312 G N 0.655 109.361 108.800 -0.156 0.000 2.594 2312 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.297 2312 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.297 2312 G C 1.398 176.291 174.900 -0.012 0.000 1.273 2312 G CA 0.124 45.247 45.100 0.038 0.000 0.974 2312 G HN 0.571 nan 8.290 nan 0.000 0.552 2313 G N -0.529 108.378 108.800 0.178 0.000 3.210 2313 G HA2 0.429 4.388 3.960 -0.001 0.000 0.220 2313 G HA3 0.429 4.388 3.960 -0.001 0.000 0.220 2313 G C 0.618 175.504 174.900 -0.024 0.000 1.200 2313 G CA 1.394 46.462 45.100 -0.054 0.000 0.834 2313 G HN 1.490 nan 8.290 nan 0.000 0.524 2314 Y N -3.420 116.803 120.300 -0.128 0.000 2.721 2314 Y HA 0.464 5.013 4.550 -0.001 0.000 0.251 2314 Y C 1.532 177.381 175.900 -0.085 0.000 1.136 2314 Y CA -1.140 56.844 58.100 -0.194 0.000 1.142 2314 Y CB -0.180 38.069 38.460 -0.353 0.000 1.212 2314 Y HN -0.075 nan 8.280 nan 0.000 0.565 2315 G N 1.989 110.698 108.800 -0.150 0.000 2.514 2315 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 2315 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 2315 G C 1.387 176.304 174.900 0.029 0.000 1.198 2315 G CA 1.560 46.596 45.100 -0.108 0.000 0.780 2315 G HN 0.323 nan 8.290 nan 0.000 0.565 2316 L N 1.082 122.314 121.223 0.014 0.000 2.042 2316 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 2316 L C 3.112 180.109 176.870 0.210 0.000 1.076 2316 L CA 2.138 57.015 54.840 0.061 0.000 0.749 2316 L CB -1.702 40.334 42.059 -0.038 0.000 0.893 2316 L HN 0.225 nan 8.230 nan 0.000 0.432 2317 T N -0.801 113.781 114.554 0.047 0.000 2.849 2317 T HA -0.149 4.200 4.350 -0.001 0.000 0.270 2317 T C 1.812 176.574 174.700 0.103 0.000 1.066 2317 T CA 1.315 63.329 62.100 -0.143 0.000 1.130 2317 T CB 0.079 68.608 68.868 -0.565 0.000 0.864 2317 T HN 0.294 nan 8.240 nan 0.000 0.481 2318 I N -0.120 120.594 120.570 0.239 0.000 4.557 2318 I HA 0.131 4.300 4.170 -0.001 0.000 0.333 2318 I C 1.865 178.136 176.117 0.257 0.000 1.332 2318 I CA -0.112 61.375 61.300 0.312 0.000 1.240 2318 I CB 0.248 38.491 38.000 0.406 0.000 1.312 2318 I HN 0.286 nan 8.210 nan 0.000 0.457 2319 H N -0.237 118.958 119.070 0.209 0.000 2.357 2319 H HA -0.304 4.252 4.556 -0.001 0.000 0.296 2319 H C 1.982 177.445 175.328 0.226 0.000 1.108 2319 H CA 2.427 58.572 56.048 0.161 0.000 1.273 2319 H CB -0.782 29.096 29.762 0.194 0.000 1.367 2319 H HN 0.560 nan 8.280 nan 0.000 0.498 2320 W N 2.254 123.008 121.300 -0.910 0.000 2.467 2320 W HA 0.037 4.696 4.660 -0.001 0.000 0.275 2320 W C 2.240 178.595 176.519 -0.273 0.000 1.239 2320 W CA 1.023 57.992 57.345 -0.627 0.000 1.266 2320 W CB -0.102 28.980 29.460 -0.630 0.000 1.112 2320 W HN 0.459 nan 8.180 nan 0.000 0.576 2321 G N -0.152 108.626 108.800 -0.037 0.000 2.421 2321 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 2321 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 2321 G C 1.383 175.992 174.900 -0.485 0.000 1.143 2321 G CA 1.243 46.319 45.100 -0.040 0.000 0.784 2321 G HN 0.290 nan 8.290 nan 0.000 0.541 2322 C N 0.776 119.812 119.300 -0.441 0.000 2.466 2322 C HA 0.297 4.756 4.460 -0.001 0.000 0.278 2322 C C 3.492 178.209 174.990 -0.456 0.000 1.288 2322 C CA 0.693 59.337 59.018 -0.625 0.000 1.722 2322 C CB -0.743 26.848 27.740 -0.249 0.000 2.017 2322 C HN 0.534 nan 8.230 nan 0.000 0.488 2323 A N 0.262 122.865 122.820 -0.361 0.000 2.019 2323 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 2323 A C 2.106 179.411 177.584 -0.467 0.000 1.164 2323 A CA 1.274 53.095 52.037 -0.359 0.000 0.644 2323 A CB -0.535 18.261 19.000 -0.340 0.000 0.805 2323 A HN 0.633 nan 8.150 nan 0.000 0.449 2324 L N -1.035 119.834 121.223 -0.590 0.000 2.109 2324 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 2324 L C 2.648 179.357 176.870 -0.268 0.000 1.086 2324 L CA 1.612 56.171 54.840 -0.469 0.000 0.760 2324 L CB -0.352 41.424 42.059 -0.472 0.000 0.910 2324 L HN 0.489 nan 8.230 nan 0.000 0.437 2325 E N 0.770 120.781 120.200 -0.314 0.000 2.072 2325 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 2325 E C 2.086 178.597 176.600 -0.147 0.000 0.985 2325 E CA 1.564 57.830 56.400 -0.223 0.000 0.801 2325 E CB -0.096 29.358 29.700 -0.410 0.000 0.750 2325 E HN 0.336 nan 8.360 nan 0.000 0.452 2326 A N 0.893 123.601 122.820 -0.185 0.000 1.933 2326 A HA -0.058 4.261 4.320 -0.001 0.000 0.218 2326 A C 2.461 180.047 177.584 0.003 0.000 1.175 2326 A CA 2.118 54.101 52.037 -0.090 0.000 0.628 2326 A CB -1.060 17.878 19.000 -0.103 0.000 0.814 2326 A HN 0.411 nan 8.150 nan 0.000 0.444 2327 A N -0.646 122.169 122.820 -0.010 0.000 1.933 2327 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 2327 A C 2.175 179.928 177.584 0.281 0.000 1.175 2327 A CA 1.805 53.934 52.037 0.153 0.000 0.628 2327 A CB -0.373 18.661 19.000 0.057 0.000 0.814 2327 A HN 0.426 nan 8.150 nan 0.000 0.444 2328 K N -0.328 120.148 120.400 0.127 0.000 1.984 2328 K HA -0.022 4.298 4.320 -0.001 0.000 0.209 2328 K C 1.897 178.553 176.600 0.094 0.000 1.046 2328 K CA 1.367 57.725 56.287 0.118 0.000 0.934 2328 K CB -0.467 32.065 32.500 0.053 0.000 0.717 2328 K HN 0.518 nan 8.250 nan 0.000 0.438 2329 L N 0.272 121.529 121.223 0.058 0.000 2.261 2329 L HA -0.193 4.146 4.340 -0.001 0.000 0.216 2329 L C 2.335 179.225 176.870 0.034 0.000 1.114 2329 L CA 0.770 55.626 54.840 0.027 0.000 0.777 2329 L CB -0.360 41.703 42.059 0.006 0.000 0.910 2329 L HN 0.129 nan 8.230 nan 0.000 0.440 2330 F N 0.598 120.496 119.950 -0.087 0.000 2.206 2330 F HA -0.037 4.490 4.527 -0.001 0.000 0.298 2330 F C 2.229 177.870 175.800 -0.265 0.000 1.090 2330 F CA 1.241 59.137 58.000 -0.174 0.000 1.323 2330 F CB -0.526 38.363 39.000 -0.185 0.000 1.028 2330 F HN -0.036 nan 8.300 nan 0.000 0.492 2331 G N 0.669 109.396 108.800 -0.122 0.000 2.459 2331 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 2331 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 2331 G C 1.803 176.597 174.900 -0.177 0.000 1.183 2331 G CA 0.568 45.575 45.100 -0.155 0.000 0.776 2331 G HN 0.158 nan 8.290 nan 0.000 0.552 2332 R N 0.239 120.681 120.500 -0.097 0.000 2.133 2332 R HA -0.084 4.255 4.340 -0.001 0.000 0.247 2332 R C 2.517 178.728 176.300 -0.149 0.000 1.151 2332 R CA 1.053 57.097 56.100 -0.092 0.000 0.971 2332 R CB -0.823 29.443 30.300 -0.055 0.000 0.866 2332 R HN 0.477 nan 8.270 nan 0.000 0.447 2333 I N 0.629 121.061 120.570 -0.229 0.000 2.233 2333 I HA -0.237 3.932 4.170 -0.001 0.000 0.243 2333 I C 2.342 178.270 176.117 -0.315 0.000 1.093 2333 I CA 0.885 62.022 61.300 -0.270 0.000 1.380 2333 I CB -0.264 37.540 38.000 -0.327 0.000 1.067 2333 I HN 0.046 nan 8.210 nan 0.000 0.413 2334 L N 0.810 121.764 121.223 -0.447 0.000 2.012 2334 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 2334 L C 2.512 179.251 176.870 -0.218 0.000 1.073 2334 L CA 1.983 56.589 54.840 -0.389 0.000 0.748 2334 L CB -1.026 40.751 42.059 -0.470 0.000 0.891 2334 L HN 0.398 nan 8.230 nan 0.000 0.431 2335 E N 0.243 120.342 120.200 -0.168 0.000 2.409 2335 E HA -0.205 4.144 4.350 -0.001 0.000 0.198 2335 E C 1.591 178.137 176.600 -0.090 0.000 1.024 2335 E CA 1.045 57.384 56.400 -0.101 0.000 0.861 2335 E CB -0.139 29.520 29.700 -0.068 0.000 0.788 2335 E HN 0.579 nan 8.360 nan 0.000 0.521 2336 E N 1.080 121.214 120.200 -0.110 0.000 2.166 2336 E HA 0.026 4.376 4.350 -0.001 0.000 0.192 2336 E C 1.308 177.855 176.600 -0.088 0.000 0.967 2336 E CA 0.308 56.655 56.400 -0.090 0.000 0.840 2336 E CB 0.184 29.829 29.700 -0.092 0.000 0.795 2336 E HN 0.176 nan 8.360 nan 0.000 0.470 2337 K N 1.480 121.813 120.400 -0.112 0.000 2.611 2337 K HA 0.022 4.341 4.320 -0.001 0.000 0.193 2337 K C -0.539 176.012 176.600 -0.082 0.000 1.026 2337 K CA 0.229 56.457 56.287 -0.098 0.000 1.063 2337 K CB -0.150 32.278 32.500 -0.121 0.000 0.839 2337 K HN 0.014 nan 8.250 nan 0.000 0.505 2338 K N 0.711 121.066 120.400 -0.076 0.000 4.868 2338 K HA -0.176 4.143 4.320 -0.001 0.000 0.314 2338 K C -0.446 176.120 176.600 -0.056 0.000 0.932 2338 K CA 0.197 56.448 56.287 -0.058 0.000 0.998 2338 K CB -0.895 31.578 32.500 -0.044 0.000 1.704 2338 K HN 0.142 nan 8.250 nan 0.000 0.426 2339 L N 0.607 121.792 121.223 -0.063 0.000 2.619 2339 L HA 0.112 4.452 4.340 -0.001 0.000 0.311 2339 L C -0.047 176.794 176.870 -0.049 0.000 1.299 2339 L CA 0.060 54.869 54.840 -0.052 0.000 0.664 2339 L CB 0.884 42.908 42.059 -0.057 0.000 1.017 2339 L HN 0.367 nan 8.230 nan 0.000 0.525 2340 S N 0.000 115.676 115.700 -0.040 0.000 2.498 2340 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 2340 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 2340 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 2340 S HN 0.000 nan 8.310 nan 0.000 0.517