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 2f6u_1_B DATA FIRST_RESID 2001 DATA SEQUENCE MRWRKWRHIT KLDPDRTNTD EIIKAVADSG TDAVMISGTQ NVTYEKARTL DATA SEQUENCE IEKVSQYGLP IVVEPSDPSN VVYDVDYLFV PTVLNSADGD WITGKHAQWV DATA SEQUENCE RMHYENLQKF TEIIESEFIQ IEGYIVLNPD SAVARVTKAL CNIDKELAAS DATA SEQUENCE YALVGEKLFN LPIIYIEYSG TYGNPELVAE VKKVLDKARL FYGGGIDSRE DATA SEQUENCE KAREMLRYAD TIIVGNVIYE KGIDAFLETL P 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 0.000 176.180 176.300 -0.201 0.000 1.140 2001 M CA 0.000 55.300 55.300 0.001 0.000 0.988 2001 M CB 0.000 32.744 32.600 0.241 0.000 1.302 2002 R N 2.502 122.992 120.500 -0.016 0.000 2.159 2002 R HA -0.130 4.215 4.340 0.008 0.000 0.237 2002 R C 1.423 177.494 176.300 -0.381 0.000 1.131 2002 R CA 2.405 58.469 56.100 -0.060 0.000 0.982 2002 R CB -0.297 30.108 30.300 0.176 0.000 0.868 2002 R HN 0.874 nan 8.270 nan 0.000 0.453 2003 W N 1.467 122.346 121.300 -0.702 0.000 2.421 2003 W HA -0.117 4.545 4.660 0.005 0.000 0.270 2003 W C 0.607 176.580 176.519 -0.910 0.000 1.233 2003 W CA 0.424 56.700 57.345 -1.782 0.000 1.226 2003 W CB -0.534 27.841 29.460 -1.807 0.000 1.121 2003 W HN -0.011 nan 8.180 nan 0.000 0.579 2004 R N 1.157 120.864 120.500 -1.322 0.000 2.339 2004 R HA 0.010 4.355 4.340 0.008 0.000 0.199 2004 R C 1.640 177.693 176.300 -0.412 0.000 1.018 2004 R CA 0.674 56.156 56.100 -1.030 0.000 1.036 2004 R CB -0.094 29.553 30.300 -1.089 0.000 0.899 2004 R HN 0.254 nan 8.270 nan 0.000 0.473 2005 K N -0.795 119.441 120.400 -0.273 0.000 2.360 2005 K HA 0.058 4.382 4.320 0.008 0.000 0.196 2005 K C -0.263 176.443 176.600 0.176 0.000 1.049 2005 K CA -0.231 56.036 56.287 -0.032 0.000 1.049 2005 K CB 0.455 32.965 32.500 0.016 0.000 0.881 2005 K HN -0.011 nan 8.250 nan 0.000 0.542 2006 W N 2.042 123.374 121.300 0.053 0.000 2.193 2006 W HA 0.109 4.778 4.660 0.014 0.000 0.338 2006 W C 1.150 177.681 176.519 0.019 0.000 1.310 2006 W CA -0.317 57.065 57.345 0.061 0.000 1.243 2006 W CB 0.117 29.639 29.460 0.103 0.000 1.165 2006 W HN 0.011 nan 8.180 nan 0.000 0.566 2007 R N 0.538 121.176 120.500 0.229 0.000 2.469 2007 R HA 0.035 4.380 4.340 0.008 0.000 0.250 2007 R C 0.007 176.367 176.300 0.100 0.000 0.909 2007 R CA -0.026 56.146 56.100 0.120 0.000 1.050 2007 R CB 0.692 31.045 30.300 0.088 0.000 1.256 2007 R HN 0.371 nan 8.270 nan 0.000 0.550 2008 H N 0.520 119.568 119.070 -0.037 0.000 2.934 2008 H HA 0.403 4.963 4.556 0.007 0.000 0.340 2008 H C -1.423 173.827 175.328 -0.131 0.000 1.008 2008 H CA -0.460 55.537 56.048 -0.085 0.000 1.317 2008 H CB 1.109 30.818 29.762 -0.088 0.000 1.670 2008 H HN -0.059 nan 8.280 nan 0.000 0.516 2009 I N 4.071 124.470 120.570 -0.286 0.000 2.433 2009 I HA 0.155 4.330 4.170 0.008 0.000 0.292 2009 I C 0.067 176.056 176.117 -0.213 0.000 1.001 2009 I CA -0.624 60.547 61.300 -0.216 0.000 1.119 2009 I CB 2.194 40.075 38.000 -0.198 0.000 1.289 2009 I HN 0.462 nan 8.210 nan 0.000 0.438 2010 T N 5.720 120.237 114.554 -0.061 0.000 2.733 2010 T HA 0.196 4.551 4.350 0.008 0.000 0.294 2010 T C -0.136 174.535 174.700 -0.047 0.000 0.956 2010 T CA -0.506 61.601 62.100 0.012 0.000 0.987 2010 T CB 0.672 69.601 68.868 0.102 0.000 0.920 2010 T HN 0.419 nan 8.240 nan 0.000 0.470 2011 K N 4.967 125.350 120.400 -0.028 0.000 2.253 2011 K HA 0.446 4.771 4.320 0.008 0.000 0.277 2011 K C -0.914 175.693 176.600 0.013 0.000 1.053 2011 K CA -0.524 55.767 56.287 0.006 0.000 0.892 2011 K CB 0.386 32.921 32.500 0.059 0.000 1.102 2011 K HN 0.541 nan 8.250 nan 0.000 0.469 2012 L N 3.188 124.422 121.223 0.018 0.000 2.329 2012 L HA 0.303 4.648 4.340 0.008 0.000 0.279 2012 L C -0.329 176.601 176.870 0.099 0.000 1.014 2012 L CA -1.012 53.879 54.840 0.084 0.000 0.814 2012 L CB 1.660 43.730 42.059 0.019 0.000 1.257 2012 L HN 0.649 nan 8.230 nan 0.000 0.424 2013 D N 3.909 124.403 120.400 0.157 0.000 2.317 2013 D HA 0.255 4.900 4.640 0.008 0.000 0.234 2013 D C -1.908 174.367 176.300 -0.041 0.000 1.112 2013 D CA -2.044 51.965 54.000 0.014 0.000 0.840 2013 D CB 2.259 43.020 40.800 -0.065 0.000 1.078 2013 D HN 0.155 nan 8.370 nan 0.000 0.486 2014 P HA -0.061 nan 4.420 nan 0.000 0.221 2014 P C 0.295 177.557 177.300 -0.064 0.000 1.145 2014 P CA 0.777 63.849 63.100 -0.047 0.000 0.795 2014 P CB 0.402 32.075 31.700 -0.045 0.000 0.775 2015 D N -1.744 118.605 120.400 -0.085 0.000 2.340 2015 D HA 0.045 4.689 4.640 0.008 0.000 0.220 2015 D C 0.838 177.046 176.300 -0.153 0.000 1.039 2015 D CA 0.508 54.451 54.000 -0.095 0.000 0.866 2015 D CB 0.139 40.892 40.800 -0.078 0.000 0.913 2015 D HN 0.094 nan 8.370 nan 0.000 0.523 2016 R N 0.087 120.444 120.500 -0.239 0.000 2.700 2016 R HA 0.359 4.704 4.340 0.008 0.000 0.253 2016 R C 0.318 176.488 176.300 -0.216 0.000 1.091 2016 R CA -0.400 55.470 56.100 -0.384 0.000 1.104 2016 R CB -0.215 29.480 30.300 -1.008 0.000 1.202 2016 R HN -0.038 nan 8.270 nan 0.000 0.532 2017 T N -0.402 114.054 114.554 -0.163 0.000 2.739 2017 T HA 0.293 4.648 4.350 0.008 0.000 0.298 2017 T C 0.044 174.789 174.700 0.076 0.000 0.929 2017 T CA -0.708 61.375 62.100 -0.027 0.000 1.014 2017 T CB -0.122 68.743 68.868 -0.007 0.000 0.914 2017 T HN 0.209 nan 8.240 nan 0.000 0.509 2018 N N 4.182 122.921 118.700 0.065 0.000 2.955 2018 N HA 0.157 4.902 4.740 0.008 0.000 0.242 2018 N C 0.596 176.128 175.510 0.036 0.000 1.123 2018 N CA -0.275 52.827 53.050 0.086 0.000 0.949 2018 N CB 1.343 39.871 38.487 0.069 0.000 1.214 2018 N HN 0.876 nan 8.380 nan 0.000 0.504 2019 T N -1.610 112.962 114.554 0.030 0.000 2.795 2019 T HA 0.055 4.410 4.350 0.008 0.000 0.314 2019 T C 0.991 175.696 174.700 0.009 0.000 1.069 2019 T CA -0.194 61.916 62.100 0.016 0.000 1.071 2019 T CB 1.244 70.120 68.868 0.012 0.000 0.988 2019 T HN 0.143 nan 8.240 nan 0.000 0.543 2020 D N 0.040 120.453 120.400 0.021 0.000 2.178 2020 D HA -0.098 4.546 4.640 0.008 0.000 0.201 2020 D C 1.864 178.175 176.300 0.018 0.000 0.980 2020 D CA 1.365 55.388 54.000 0.039 0.000 0.842 2020 D CB -0.219 40.611 40.800 0.050 0.000 0.948 2020 D HN 0.902 nan 8.370 nan 0.000 0.472 2021 E N 0.286 120.486 120.200 0.001 0.000 2.051 2021 E HA -0.136 4.219 4.350 0.008 0.000 0.192 2021 E C 2.254 178.818 176.600 -0.060 0.000 0.991 2021 E CA 0.598 56.987 56.400 -0.017 0.000 0.799 2021 E CB -0.072 29.622 29.700 -0.011 0.000 0.748 2021 E HN 0.216 nan 8.360 nan 0.000 0.449 2022 I N 0.906 121.432 120.570 -0.074 0.000 2.179 2022 I HA -0.293 3.882 4.170 0.008 0.000 0.242 2022 I C 2.402 178.400 176.117 -0.197 0.000 1.088 2022 I CA 1.047 62.259 61.300 -0.146 0.000 1.357 2022 I CB -0.191 37.727 38.000 -0.138 0.000 1.051 2022 I HN 0.240 nan 8.210 nan 0.000 0.409 2023 I N 0.533 121.013 120.570 -0.149 0.000 2.226 2023 I HA -0.329 3.846 4.170 0.008 0.000 0.245 2023 I C 2.608 178.491 176.117 -0.391 0.000 1.100 2023 I CA 1.446 62.624 61.300 -0.204 0.000 1.374 2023 I CB -0.416 37.546 38.000 -0.064 0.000 1.057 2023 I HN 0.218 nan 8.210 nan 0.000 0.413 2024 K N 1.276 121.499 120.400 -0.294 0.000 2.057 2024 K HA -0.151 4.174 4.320 0.008 0.000 0.206 2024 K C 2.238 178.675 176.600 -0.271 0.000 1.050 2024 K CA 1.374 57.440 56.287 -0.368 0.000 0.935 2024 K CB -0.093 32.372 32.500 -0.059 0.000 0.715 2024 K HN 0.271 nan 8.250 nan 0.000 0.439 2025 A N 0.571 123.293 122.820 -0.164 0.000 1.933 2025 A HA -0.113 4.212 4.320 0.008 0.000 0.218 2025 A C 2.204 179.753 177.584 -0.059 0.000 1.175 2025 A CA 1.594 53.582 52.037 -0.081 0.000 0.628 2025 A CB -0.583 18.391 19.000 -0.043 0.000 0.814 2025 A HN 0.177 nan 8.150 nan 0.000 0.444 2026 V N -0.252 119.556 119.914 -0.178 0.000 2.307 2026 V HA -0.220 3.905 4.120 0.008 0.000 0.245 2026 V C 3.063 179.086 176.094 -0.119 0.000 1.045 2026 V CA 1.849 64.070 62.300 -0.132 0.000 1.024 2026 V CB -1.198 30.444 31.823 -0.301 0.000 0.651 2026 V HN 0.613 nan 8.190 nan 0.000 0.449 2027 A N -0.089 122.550 122.820 -0.301 0.000 1.940 2027 A HA -0.243 4.082 4.320 0.008 0.000 0.219 2027 A C 1.809 179.302 177.584 -0.151 0.000 1.176 2027 A CA 2.115 53.961 52.037 -0.317 0.000 0.631 2027 A CB -0.475 18.030 19.000 -0.825 0.000 0.814 2027 A HN 0.573 nan 8.150 nan 0.000 0.446 2028 D N -0.633 119.689 120.400 -0.129 0.000 2.339 2028 D HA 0.017 4.662 4.640 0.008 0.000 0.217 2028 D C 1.991 178.267 176.300 -0.040 0.000 1.050 2028 D CA 0.937 54.904 54.000 -0.054 0.000 0.856 2028 D CB 0.027 40.806 40.800 -0.035 0.000 0.922 2028 D HN 0.586 nan 8.370 nan 0.000 0.518 2029 S N -0.319 115.366 115.700 -0.025 0.000 2.428 2029 S HA 0.066 4.540 4.470 0.008 0.000 0.230 2029 S C 1.872 176.402 174.600 -0.117 0.000 1.014 2029 S CA 1.098 59.275 58.200 -0.039 0.000 0.957 2029 S CB 0.040 63.282 63.200 0.070 0.000 0.784 2029 S HN 0.286 nan 8.310 nan 0.000 0.499 2030 G N 0.113 108.853 108.800 -0.099 0.000 2.184 2030 G HA2 -0.218 3.747 3.960 0.008 0.000 0.206 2030 G HA3 -0.218 3.747 3.960 0.008 0.000 0.206 2030 G C 0.204 175.013 174.900 -0.151 0.000 0.995 2030 G CA 0.158 45.186 45.100 -0.120 0.000 0.651 2030 G HN 0.801 nan 8.290 nan 0.000 0.511 2031 T N 0.516 114.985 114.554 -0.142 0.000 2.937 2031 T HA 0.344 4.699 4.350 0.008 0.000 0.316 2031 T C 1.410 176.042 174.700 -0.114 0.000 1.079 2031 T CA 0.834 62.888 62.100 -0.077 0.000 1.131 2031 T CB 0.358 69.310 68.868 0.141 0.000 1.000 2031 T HN 0.163 nan 8.240 nan 0.000 0.549 2032 D N 1.850 122.146 120.400 -0.173 0.000 2.234 2032 D HA 0.254 4.899 4.640 0.008 0.000 0.205 2032 D C 0.557 176.411 176.300 -0.743 0.000 0.962 2032 D CA 0.706 54.452 54.000 -0.423 0.000 0.855 2032 D CB 0.247 40.752 40.800 -0.492 0.000 0.951 2032 D HN 0.668 nan 8.370 nan 0.000 0.500 2033 A N -0.333 122.107 122.820 -0.634 0.000 2.601 2033 A HA 0.498 4.823 4.320 0.008 0.000 0.291 2033 A C -1.532 175.855 177.584 -0.328 0.000 1.075 2033 A CA -0.598 51.053 52.037 -0.642 0.000 0.671 2033 A CB 1.350 19.555 19.000 -1.324 0.000 1.277 2033 A HN -0.117 nan 8.150 nan 0.000 0.417 2034 V N 1.425 121.203 119.914 -0.226 0.000 2.417 2034 V HA 0.614 4.739 4.120 0.008 0.000 0.291 2034 V C -0.089 175.931 176.094 -0.123 0.000 1.024 2034 V CA -0.176 62.042 62.300 -0.137 0.000 0.861 2034 V CB 1.436 33.201 31.823 -0.097 0.000 0.985 2034 V HN 0.890 nan 8.190 nan 0.000 0.436 2035 M N 6.133 125.677 119.600 -0.094 0.000 2.167 2035 M HA 0.554 5.039 4.480 0.008 0.000 0.333 2035 M C -1.223 175.049 176.300 -0.047 0.000 1.030 2035 M CA -0.572 54.685 55.300 -0.072 0.000 0.963 2035 M CB 0.949 33.539 32.600 -0.016 0.000 1.589 2035 M HN 0.405 nan 8.290 nan 0.000 0.431 2036 I N 3.726 124.252 120.570 -0.074 0.000 2.312 2036 I HA 0.341 4.516 4.170 0.008 0.000 0.291 2036 I C -0.164 175.915 176.117 -0.063 0.000 1.031 2036 I CA 0.072 61.325 61.300 -0.078 0.000 1.293 2036 I CB 0.357 38.272 38.000 -0.141 0.000 1.403 2036 I HN 0.690 nan 8.210 nan 0.000 0.484 2037 S N 4.029 119.716 115.700 -0.022 0.000 2.566 2037 S HA 0.863 5.338 4.470 0.008 0.000 0.273 2037 S C -0.467 174.135 174.600 0.002 0.000 1.157 2037 S CA -0.318 57.881 58.200 -0.002 0.000 0.938 2037 S CB 1.698 64.925 63.200 0.045 0.000 1.087 2037 S HN 0.902 nan 8.310 nan 0.000 0.474 2038 G N 1.506 110.302 108.800 -0.007 0.000 2.975 2038 G HA2 0.706 4.671 3.960 0.008 0.000 0.291 2038 G HA3 0.706 4.671 3.960 0.008 0.000 0.291 2038 G C -0.093 174.802 174.900 -0.009 0.000 1.334 2038 G CA 0.048 45.141 45.100 -0.011 0.000 0.843 2038 G HN 1.038 nan 8.290 nan 0.000 0.548 2039 T N -2.259 112.289 114.554 -0.011 0.000 2.771 2039 T HA 0.235 4.589 4.350 0.008 0.000 0.290 2039 T C 1.194 175.905 174.700 0.018 0.000 1.005 2039 T CA 0.045 62.143 62.100 -0.004 0.000 0.944 2039 T CB 0.984 69.846 68.868 -0.010 0.000 1.147 2039 T HN 0.439 nan 8.240 nan 0.000 0.534 2040 Q N 0.373 120.195 119.800 0.036 0.000 2.439 2040 Q HA -0.092 4.253 4.340 0.008 0.000 0.211 2040 Q C 1.865 177.888 176.000 0.039 0.000 0.978 2040 Q CA 1.417 57.251 55.803 0.052 0.000 0.897 2040 Q CB -0.478 28.308 28.738 0.079 0.000 0.956 2040 Q HN 0.899 nan 8.270 nan 0.000 0.483 2041 N N -0.965 117.751 118.700 0.027 0.000 2.322 2041 N HA 0.034 4.779 4.740 0.008 0.000 0.194 2041 N C 0.088 175.614 175.510 0.027 0.000 1.126 2041 N CA -0.351 52.713 53.050 0.024 0.000 0.845 2041 N CB 0.514 39.009 38.487 0.013 0.000 0.976 2041 N HN -0.090 nan 8.380 nan 0.000 0.475 2042 V N 2.167 122.099 119.914 0.030 0.000 2.572 2042 V HA 0.134 4.259 4.120 0.008 0.000 0.291 2042 V C 0.494 176.629 176.094 0.068 0.000 1.039 2042 V CA -0.132 62.188 62.300 0.034 0.000 1.055 2042 V CB 0.760 32.596 31.823 0.023 0.000 0.969 2042 V HN 0.489 nan 8.190 nan 0.000 0.482 2043 T N 3.841 118.438 114.554 0.071 0.000 2.927 2043 T HA 0.261 4.616 4.350 0.008 0.000 0.281 2043 T C 0.689 175.487 174.700 0.164 0.000 0.998 2043 T CA 0.103 62.273 62.100 0.116 0.000 1.019 2043 T CB 0.921 69.846 68.868 0.094 0.000 1.061 2043 T HN 0.661 nan 8.240 nan 0.000 0.518 2044 Y N 0.694 121.060 120.300 0.111 0.000 2.165 2044 Y HA -0.123 4.431 4.550 0.007 0.000 0.286 2044 Y C 2.565 178.550 175.900 0.141 0.000 1.155 2044 Y CA 2.232 60.428 58.100 0.159 0.000 1.164 2044 Y CB -0.160 38.350 38.460 0.084 0.000 0.978 2044 Y HN 0.863 nan 8.280 nan 0.000 0.513 2045 E N 0.603 120.842 120.200 0.064 0.000 2.051 2045 E HA -0.210 4.145 4.350 0.008 0.000 0.192 2045 E C 1.954 178.510 176.600 -0.073 0.000 0.991 2045 E CA 1.355 57.737 56.400 -0.029 0.000 0.799 2045 E CB -0.035 29.704 29.700 0.065 0.000 0.748 2045 E HN 0.374 nan 8.360 nan 0.000 0.449 2046 K N 0.353 120.737 120.400 -0.027 0.000 2.057 2046 K HA -0.074 4.250 4.320 0.008 0.000 0.207 2046 K C 2.118 178.681 176.600 -0.061 0.000 1.049 2046 K CA 1.099 57.367 56.287 -0.033 0.000 0.931 2046 K CB -0.569 31.922 32.500 -0.014 0.000 0.714 2046 K HN 0.183 nan 8.250 nan 0.000 0.440 2047 A N 1.507 124.285 122.820 -0.070 0.000 1.877 2047 A HA -0.186 4.139 4.320 0.008 0.000 0.216 2047 A C 2.287 179.791 177.584 -0.133 0.000 1.186 2047 A CA 1.682 53.656 52.037 -0.105 0.000 0.620 2047 A CB -0.487 18.461 19.000 -0.088 0.000 0.822 2047 A HN 0.301 nan 8.150 nan 0.000 0.443 2048 R N -0.728 119.644 120.500 -0.213 0.000 2.091 2048 R HA -0.136 4.209 4.340 0.008 0.000 0.238 2048 R C 2.134 178.376 176.300 -0.095 0.000 1.136 2048 R CA 2.136 58.114 56.100 -0.203 0.000 0.959 2048 R CB -0.689 29.358 30.300 -0.422 0.000 0.856 2048 R HN 0.488 nan 8.270 nan 0.000 0.437 2049 T N 1.766 116.269 114.554 -0.084 0.000 2.684 2049 T HA -0.178 4.176 4.350 0.008 0.000 0.267 2049 T C 1.655 176.340 174.700 -0.025 0.000 1.036 2049 T CA 1.419 63.495 62.100 -0.039 0.000 1.148 2049 T CB -0.269 68.581 68.868 -0.030 0.000 0.863 2049 T HN 0.167 nan 8.240 nan 0.000 0.436 2050 L N 0.810 122.012 121.223 -0.035 0.000 2.056 2050 L HA 0.116 4.461 4.340 0.008 0.000 0.207 2050 L C 2.153 179.013 176.870 -0.017 0.000 1.078 2050 L CA 1.379 56.205 54.840 -0.023 0.000 0.749 2050 L CB -0.677 41.362 42.059 -0.034 0.000 0.901 2050 L HN 0.266 nan 8.230 nan 0.000 0.433 2051 I N -0.413 120.136 120.570 -0.035 0.000 2.208 2051 I HA -0.314 3.861 4.170 0.008 0.000 0.245 2051 I C 2.374 178.502 176.117 0.017 0.000 1.097 2051 I CA 1.524 62.815 61.300 -0.015 0.000 1.363 2051 I CB -0.360 37.629 38.000 -0.018 0.000 1.051 2051 I HN 0.358 nan 8.210 nan 0.000 0.413 2052 E N 0.777 120.986 120.200 0.014 0.000 2.085 2052 E HA -0.251 4.103 4.350 0.008 0.000 0.194 2052 E C 2.179 178.796 176.600 0.029 0.000 0.994 2052 E CA 1.194 57.607 56.400 0.022 0.000 0.801 2052 E CB -0.087 29.622 29.700 0.014 0.000 0.743 2052 E HN 0.464 nan 8.360 nan 0.000 0.453 2053 K N 0.473 120.894 120.400 0.035 0.000 2.026 2053 K HA -0.110 4.215 4.320 0.008 0.000 0.208 2053 K C 2.216 178.894 176.600 0.130 0.000 1.048 2053 K CA 1.185 57.511 56.287 0.065 0.000 0.929 2053 K CB -0.086 32.452 32.500 0.062 0.000 0.713 2053 K HN -0.018 nan 8.250 nan 0.000 0.439 2054 V N 1.174 121.155 119.914 0.110 0.000 2.515 2054 V HA -0.192 3.933 4.120 0.008 0.000 0.250 2054 V C 1.946 178.144 176.094 0.173 0.000 1.058 2054 V CA 1.668 64.062 62.300 0.157 0.000 1.064 2054 V CB -0.284 31.572 31.823 0.056 0.000 0.675 2054 V HN 0.246 nan 8.190 nan 0.000 0.461 2055 S N -0.368 115.387 115.700 0.092 0.000 2.469 2055 S HA -0.188 4.287 4.470 0.008 0.000 0.238 2055 S C 1.898 176.516 174.600 0.030 0.000 0.998 2055 S CA 0.827 59.067 58.200 0.066 0.000 0.957 2055 S CB -0.273 62.956 63.200 0.048 0.000 0.764 2055 S HN 0.575 nan 8.310 nan 0.000 0.514 2056 Q N -0.233 119.557 119.800 -0.017 0.000 2.369 2056 Q HA 0.096 4.440 4.340 0.008 0.000 0.206 2056 Q C -0.076 175.723 176.000 -0.335 0.000 0.963 2056 Q CA 0.763 56.450 55.803 -0.194 0.000 0.894 2056 Q CB -0.145 28.411 28.738 -0.303 0.000 0.965 2056 Q HN 0.603 nan 8.270 nan 0.000 0.475 2057 Y N -1.200 119.102 120.300 0.002 0.000 2.545 2057 Y HA 0.488 5.042 4.550 0.007 0.000 0.324 2057 Y C 1.662 177.567 175.900 0.008 0.000 1.220 2057 Y CA -0.565 57.536 58.100 0.002 0.000 1.290 2057 Y CB 0.769 39.225 38.460 -0.006 0.000 1.355 2057 Y HN -0.094 nan 8.280 nan 0.000 0.516 2058 G N 0.612 109.519 108.800 0.179 0.000 3.233 2058 G HA2 0.203 4.167 3.960 0.008 0.000 0.227 2058 G HA3 0.203 4.167 3.960 0.008 0.000 0.227 2058 G C -0.040 174.915 174.900 0.092 0.000 1.175 2058 G CA -0.142 45.022 45.100 0.107 0.000 0.781 2058 G HN 0.288 nan 8.290 nan 0.000 0.542 2059 L N 0.799 122.074 121.223 0.086 0.000 2.395 2059 L HA 0.312 4.657 4.340 0.008 0.000 0.269 2059 L C -1.997 174.896 176.870 0.037 0.000 1.133 2059 L CA -1.891 52.966 54.840 0.028 0.000 0.812 2059 L CB 1.243 43.284 42.059 -0.030 0.000 1.125 2059 L HN -0.091 nan 8.230 nan 0.000 0.452 2060 P HA 0.196 nan 4.420 nan 0.000 0.269 2060 P C -0.891 176.433 177.300 0.040 0.000 1.209 2060 P CA 0.160 63.333 63.100 0.121 0.000 0.776 2060 P CB 0.562 32.436 31.700 0.289 0.000 0.876 2061 I N 1.956 122.584 120.570 0.096 0.000 2.406 2061 I HA 0.336 4.511 4.170 0.008 0.000 0.290 2061 I C -0.503 175.646 176.117 0.053 0.000 0.999 2061 I CA -0.986 60.335 61.300 0.035 0.000 1.124 2061 I CB 2.001 40.020 38.000 0.032 0.000 1.289 2061 I HN -0.043 nan 8.210 nan 0.000 0.441 2062 V N 6.806 126.689 119.914 -0.051 0.000 2.555 2062 V HA 0.443 4.567 4.120 0.008 0.000 0.302 2062 V C -0.131 175.862 176.094 -0.168 0.000 1.038 2062 V CA -0.730 61.467 62.300 -0.172 0.000 0.887 2062 V CB 2.362 33.908 31.823 -0.461 0.000 0.991 2062 V HN 0.388 nan 8.190 nan 0.000 0.434 2063 V N 3.669 123.484 119.914 -0.166 0.000 2.459 2063 V HA 0.434 4.559 4.120 0.008 0.000 0.295 2063 V C -0.032 176.005 176.094 -0.095 0.000 1.029 2063 V CA -0.465 61.730 62.300 -0.175 0.000 0.874 2063 V CB 1.754 33.400 31.823 -0.294 0.000 0.985 2063 V HN 0.968 nan 8.190 nan 0.000 0.438 2064 E N 7.144 127.314 120.200 -0.050 0.000 2.183 2064 E HA 0.376 4.731 4.350 0.008 0.000 0.250 2064 E C -2.517 174.082 176.600 -0.002 0.000 0.901 2064 E CA -1.943 54.475 56.400 0.030 0.000 0.741 2064 E CB 1.597 31.364 29.700 0.111 0.000 1.182 2064 E HN 0.481 nan 8.360 nan 0.000 0.425 2065 P HA -0.005 nan 4.420 nan 0.000 0.269 2065 P C 0.079 177.363 177.300 -0.026 0.000 1.209 2065 P CA -0.021 63.074 63.100 -0.010 0.000 0.776 2065 P CB 1.363 33.044 31.700 -0.033 0.000 0.876 2066 S N -0.537 115.163 115.700 0.000 0.000 2.539 2066 S HA 0.263 4.738 4.470 0.008 0.000 0.221 2066 S C 0.095 174.711 174.600 0.027 0.000 0.987 2066 S CA -0.255 57.958 58.200 0.021 0.000 0.929 2066 S CB 0.015 63.234 63.200 0.032 0.000 0.832 2066 S HN 0.389 nan 8.310 nan 0.000 0.492 2067 D N 1.076 121.463 120.400 -0.022 0.000 2.648 2067 D HA 0.419 5.064 4.640 0.008 0.000 0.244 2067 D C -3.219 173.040 176.300 -0.068 0.000 1.244 2067 D CA -1.253 52.713 54.000 -0.057 0.000 0.772 2067 D CB 1.664 42.454 40.800 -0.017 0.000 1.379 2067 D HN -0.116 nan 8.370 nan 0.000 0.428 2068 P HA 0.261 nan 4.420 nan 0.000 0.267 2068 P C -0.952 176.414 177.300 0.111 0.000 1.205 2068 P CA 0.087 63.200 63.100 0.020 0.000 0.765 2068 P CB 0.657 32.417 31.700 0.100 0.000 0.828 2069 S N 1.571 117.406 115.700 0.226 0.000 2.579 2069 S HA 0.381 4.856 4.470 0.008 0.000 0.272 2069 S C -0.002 174.834 174.600 0.393 0.000 1.141 2069 S CA -0.772 57.573 58.200 0.242 0.000 0.843 2069 S CB 0.726 64.041 63.200 0.191 0.000 1.122 2069 S HN 0.596 nan 8.310 nan 0.000 0.468 2070 N N 1.096 119.903 118.700 0.179 0.000 2.235 2070 N HA 0.201 4.946 4.740 0.008 0.000 0.231 2070 N C 0.344 175.895 175.510 0.069 0.000 1.177 2070 N CA -0.418 52.688 53.050 0.093 0.000 0.874 2070 N CB 0.516 38.892 38.487 -0.184 0.000 1.097 2070 N HN 0.380 nan 8.380 nan 0.000 0.518 2071 V N -1.315 118.616 119.914 0.029 0.000 3.036 2071 V HA 0.531 4.656 4.120 0.008 0.000 0.308 2071 V C 0.209 176.242 176.094 -0.101 0.000 1.070 2071 V CA -0.623 61.587 62.300 -0.150 0.000 1.056 2071 V CB 1.597 33.224 31.823 -0.326 0.000 1.084 2071 V HN -0.110 nan 8.190 nan 0.000 0.471 2072 V N 3.267 123.087 119.914 -0.156 0.000 2.495 2072 V HA 0.485 4.610 4.120 0.008 0.000 0.298 2072 V C -0.968 175.089 176.094 -0.062 0.000 1.031 2072 V CA -0.392 61.893 62.300 -0.024 0.000 0.871 2072 V CB 1.323 33.167 31.823 0.036 0.000 0.988 2072 V HN 0.863 nan 8.190 nan 0.000 0.432 2073 Y N 1.553 122.022 120.300 0.282 0.000 2.335 2073 Y HA 0.368 4.922 4.550 0.007 0.000 0.338 2073 Y C 0.320 176.354 175.900 0.223 0.000 0.977 2073 Y CA -0.739 57.515 58.100 0.256 0.000 1.114 2073 Y CB 1.623 40.230 38.460 0.245 0.000 1.182 2073 Y HN 0.566 nan 8.280 nan 0.000 0.463 2074 D N 4.514 125.096 120.400 0.303 0.000 2.551 2074 D HA 0.220 4.864 4.640 0.008 0.000 0.223 2074 D C -0.508 175.918 176.300 0.210 0.000 1.144 2074 D CA 0.188 54.305 54.000 0.195 0.000 1.025 2074 D CB -0.211 40.662 40.800 0.121 0.000 1.085 2074 D HN 0.353 nan 8.370 nan 0.000 0.506 2075 V N -0.630 119.463 119.914 0.298 0.000 3.182 2075 V HA 0.506 4.631 4.120 0.008 0.000 0.311 2075 V C 0.954 177.225 176.094 0.296 0.000 1.221 2075 V CA -0.614 61.833 62.300 0.245 0.000 1.060 2075 V CB 1.715 33.654 31.823 0.194 0.000 1.164 2075 V HN -0.003 nan 8.190 nan 0.000 0.466 2076 D N -1.236 119.268 120.400 0.173 0.000 2.213 2076 D HA 0.146 4.791 4.640 0.008 0.000 0.205 2076 D C -0.547 175.588 176.300 -0.276 0.000 0.961 2076 D CA 1.838 55.843 54.000 0.009 0.000 0.853 2076 D CB 0.342 41.156 40.800 0.024 0.000 0.967 2076 D HN 0.600 nan 8.370 nan 0.000 0.496 2077 Y N -0.840 119.434 120.300 -0.044 0.000 2.609 2077 Y HA 0.392 4.944 4.550 0.004 0.000 0.336 2077 Y C -1.039 174.482 175.900 -0.632 0.000 1.129 2077 Y CA -1.087 56.737 58.100 -0.459 0.000 1.040 2077 Y CB 1.684 39.962 38.460 -0.304 0.000 1.310 2077 Y HN -0.297 nan 8.280 nan 0.000 0.460 2078 L N 2.846 123.724 121.223 -0.576 0.000 2.319 2078 L HA 0.618 4.963 4.340 0.008 0.000 0.281 2078 L C -1.921 175.002 176.870 0.089 0.000 1.005 2078 L CA -0.516 54.170 54.840 -0.257 0.000 0.828 2078 L CB 0.293 42.201 42.059 -0.252 0.000 1.227 2078 L HN 0.378 nan 8.230 nan 0.000 0.415 2079 F N 5.170 125.049 119.950 -0.120 0.000 2.404 2079 F HA 0.480 5.011 4.527 0.007 0.000 0.354 2079 F C 0.047 175.813 175.800 -0.057 0.000 1.122 2079 F CA -0.983 56.957 58.000 -0.100 0.000 1.080 2079 F CB 1.638 40.627 39.000 -0.018 0.000 1.131 2079 F HN 0.041 nan 8.300 nan 0.000 0.471 2080 V N 6.479 126.440 119.914 0.078 0.000 2.347 2080 V HA 0.363 4.488 4.120 0.008 0.000 0.280 2080 V C -2.243 173.904 176.094 0.089 0.000 1.021 2080 V CA -2.096 60.208 62.300 0.006 0.000 0.847 2080 V CB 1.599 33.341 31.823 -0.136 0.000 0.990 2080 V HN 0.479 nan 8.190 nan 0.000 0.444 2081 P HA 0.345 nan 4.420 nan 0.000 0.275 2081 P C -0.389 176.979 177.300 0.114 0.000 1.228 2081 P CA -0.097 63.039 63.100 0.059 0.000 0.786 2081 P CB 0.692 32.202 31.700 -0.317 0.000 0.927 2082 T N -1.468 113.180 114.554 0.157 0.000 2.937 2082 T HA 0.391 4.746 4.350 0.008 0.000 0.297 2082 T C -0.621 174.158 174.700 0.131 0.000 0.991 2082 T CA -0.718 61.485 62.100 0.171 0.000 0.990 2082 T CB 0.236 69.281 68.868 0.294 0.000 0.991 2082 T HN -0.015 nan 8.240 nan 0.000 0.440 2083 V N 6.114 126.076 119.914 0.081 0.000 2.322 2083 V HA 0.185 4.310 4.120 0.008 0.000 0.258 2083 V C 1.720 177.857 176.094 0.071 0.000 1.074 2083 V CA -0.397 61.926 62.300 0.039 0.000 0.909 2083 V CB -0.372 31.408 31.823 -0.072 0.000 1.090 2083 V HN 0.933 nan 8.190 nan 0.000 0.486 2084 L N 3.303 124.583 121.223 0.095 0.000 2.079 2084 L HA -0.141 4.204 4.340 0.008 0.000 0.210 2084 L C 1.999 178.872 176.870 0.006 0.000 1.081 2084 L CA 1.438 56.361 54.840 0.138 0.000 0.752 2084 L CB -0.254 41.916 42.059 0.186 0.000 0.896 2084 L HN 0.879 nan 8.230 nan 0.000 0.433 2085 N N -1.046 117.494 118.700 -0.266 0.000 2.320 2085 N HA -0.018 4.726 4.740 0.008 0.000 0.237 2085 N C 0.117 175.513 175.510 -0.189 0.000 1.129 2085 N CA -0.084 52.675 53.050 -0.485 0.000 0.854 2085 N CB 0.335 38.304 38.487 -0.863 0.000 1.083 2085 N HN -0.021 nan 8.380 nan 0.000 0.504 2086 S N -0.361 115.301 115.700 -0.063 0.000 2.565 2086 S HA 0.522 4.996 4.470 0.008 0.000 0.274 2086 S C 1.115 175.738 174.600 0.039 0.000 1.309 2086 S CA -0.215 57.970 58.200 -0.026 0.000 1.043 2086 S CB 0.951 64.176 63.200 0.042 0.000 0.939 2086 S HN 0.422 nan 8.310 nan 0.000 0.504 2087 A N 3.144 125.981 122.820 0.029 0.000 2.169 2087 A HA 0.160 4.485 4.320 0.008 0.000 0.212 2087 A C 0.635 178.266 177.584 0.079 0.000 1.153 2087 A CA 0.369 52.438 52.037 0.054 0.000 0.756 2087 A CB -0.187 18.832 19.000 0.033 0.000 0.813 2087 A HN 0.781 nan 8.150 nan 0.000 0.471 2088 D N -0.737 119.732 120.400 0.115 0.000 2.392 2088 D HA 0.433 5.078 4.640 0.008 0.000 0.228 2088 D C 1.354 177.740 176.300 0.143 0.000 1.074 2088 D CA 0.210 54.298 54.000 0.147 0.000 0.838 2088 D CB 1.221 42.168 40.800 0.246 0.000 1.067 2088 D HN 0.010 nan 8.370 nan 0.000 0.511 2089 G N 3.408 112.257 108.800 0.081 0.000 2.499 2089 G HA2 -0.310 3.655 3.960 0.008 0.000 0.221 2089 G HA3 -0.310 3.655 3.960 0.008 0.000 0.221 2089 G C 1.238 176.137 174.900 -0.002 0.000 1.109 2089 G CA 0.600 45.733 45.100 0.053 0.000 0.749 2089 G HN 0.552 nan 8.290 nan 0.000 0.568 2090 D N -0.414 119.954 120.400 -0.054 0.000 2.182 2090 D HA -0.103 4.542 4.640 0.008 0.000 0.201 2090 D C 1.741 177.817 176.300 -0.373 0.000 0.986 2090 D CA 0.690 54.551 54.000 -0.232 0.000 0.847 2090 D CB -0.205 40.402 40.800 -0.322 0.000 0.942 2090 D HN 0.574 nan 8.370 nan 0.000 0.467 2091 W N -0.291 120.946 121.300 -0.104 0.000 3.256 2091 W HA 0.311 4.975 4.660 0.007 0.000 0.269 2091 W C 1.653 178.069 176.519 -0.171 0.000 1.310 2091 W CA -0.232 57.020 57.345 -0.154 0.000 1.673 2091 W CB 0.195 29.576 29.460 -0.132 0.000 1.115 2091 W HN 0.024 nan 8.180 nan 0.000 0.686 2092 I N -1.335 119.258 120.570 0.038 0.000 3.136 2092 I HA -0.018 4.156 4.170 0.008 0.000 0.262 2092 I C 2.215 178.328 176.117 -0.007 0.000 1.132 2092 I CA 1.492 62.819 61.300 0.044 0.000 1.450 2092 I CB -0.347 37.718 38.000 0.108 0.000 1.315 2092 I HN -0.139 nan 8.210 nan 0.000 0.460 2093 T N -2.929 111.614 114.554 -0.018 0.000 2.980 2093 T HA 0.226 4.580 4.350 0.008 0.000 0.252 2093 T C 1.812 176.513 174.700 0.001 0.000 0.962 2093 T CA 0.562 62.685 62.100 0.039 0.000 0.932 2093 T CB 0.000 68.891 68.868 0.037 0.000 1.188 2093 T HN 0.223 nan 8.240 nan 0.000 0.500 2094 G N 2.343 111.096 108.800 -0.077 0.000 2.433 2094 G HA2 -0.144 3.821 3.960 0.008 0.000 0.216 2094 G HA3 -0.144 3.821 3.960 0.008 0.000 0.216 2094 G C 1.592 176.427 174.900 -0.108 0.000 1.186 2094 G CA 0.791 45.836 45.100 -0.093 0.000 0.779 2094 G HN 0.522 nan 8.290 nan 0.000 0.543 2095 K N -0.428 119.832 120.400 -0.233 0.000 2.097 2095 K HA -0.058 4.266 4.320 0.008 0.000 0.206 2095 K C 2.178 178.795 176.600 0.028 0.000 1.049 2095 K CA 1.109 57.268 56.287 -0.214 0.000 0.933 2095 K CB -0.290 31.949 32.500 -0.434 0.000 0.717 2095 K HN 0.531 nan 8.250 nan 0.000 0.442 2096 H N -0.122 118.991 119.070 0.071 0.000 2.387 2096 H HA -0.074 4.488 4.556 0.010 0.000 0.299 2096 H C 2.156 177.632 175.328 0.247 0.000 1.090 2096 H CA 0.738 56.939 56.048 0.255 0.000 1.332 2096 H CB 0.087 29.976 29.762 0.210 0.000 1.386 2096 H HN 0.268 nan 8.280 nan 0.000 0.516 2097 A N 0.959 123.921 122.820 0.236 0.000 1.933 2097 A HA -0.221 4.104 4.320 0.008 0.000 0.218 2097 A C 2.180 179.827 177.584 0.104 0.000 1.175 2097 A CA 1.511 53.626 52.037 0.130 0.000 0.628 2097 A CB -0.382 18.655 19.000 0.062 0.000 0.814 2097 A HN 0.450 nan 8.150 nan 0.000 0.444 2098 Q N -1.999 117.862 119.800 0.102 0.000 2.084 2098 Q HA -0.226 4.119 4.340 0.008 0.000 0.202 2098 Q C 1.907 178.014 176.000 0.178 0.000 0.978 2098 Q CA 1.620 57.471 55.803 0.080 0.000 0.844 2098 Q CB -0.294 28.464 28.738 0.034 0.000 0.898 2098 Q HN 0.886 nan 8.270 nan 0.000 0.426 2099 W N 0.894 122.229 121.300 0.058 0.000 2.335 2099 W HA -0.204 4.460 4.660 0.007 0.000 0.311 2099 W C 1.844 178.408 176.519 0.076 0.000 1.213 2099 W CA 1.283 58.708 57.345 0.134 0.000 1.274 2099 W CB -0.638 28.958 29.460 0.226 0.000 1.148 2099 W HN -0.135 nan 8.180 nan 0.000 0.498 2100 V N 1.421 121.284 119.914 -0.085 0.000 2.295 2100 V HA -0.305 3.819 4.120 0.008 0.000 0.246 2100 V C 2.490 178.421 176.094 -0.272 0.000 1.049 2100 V CA 2.460 64.448 62.300 -0.519 0.000 1.024 2100 V CB -1.112 30.573 31.823 -0.229 0.000 0.648 2100 V HN 0.104 nan 8.190 nan 0.000 0.447 2101 R N 0.252 120.716 120.500 -0.060 0.000 2.127 2101 R HA -0.088 4.257 4.340 0.008 0.000 0.238 2101 R C 2.024 178.295 176.300 -0.048 0.000 1.134 2101 R CA 1.736 57.826 56.100 -0.018 0.000 0.975 2101 R CB -0.596 29.668 30.300 -0.061 0.000 0.865 2101 R HN 0.506 nan 8.270 nan 0.000 0.447 2102 M N -0.567 118.986 119.600 -0.079 0.000 2.549 2102 M HA -0.083 4.402 4.480 0.008 0.000 0.260 2102 M C 0.675 176.742 176.300 -0.389 0.000 1.076 2102 M CA 1.131 56.324 55.300 -0.180 0.000 1.090 2102 M CB 0.052 32.565 32.600 -0.146 0.000 1.418 2102 M HN 0.214 nan 8.290 nan 0.000 0.486 2103 H N -2.441 116.481 119.070 -0.247 0.000 2.581 2103 H HA 0.083 4.644 4.556 0.009 0.000 0.275 2103 H C 0.875 176.078 175.328 -0.208 0.000 1.126 2103 H CA -0.066 55.814 56.048 -0.281 0.000 1.097 2103 H CB 0.243 29.635 29.762 -0.618 0.000 1.626 2103 H HN 0.317 nan 8.280 nan 0.000 0.565 2104 Y N 2.287 122.483 120.300 -0.173 0.000 2.298 2104 Y HA -0.198 4.358 4.550 0.009 0.000 0.287 2104 Y C 2.129 177.981 175.900 -0.080 0.000 1.164 2104 Y CA 1.307 59.331 58.100 -0.127 0.000 1.229 2104 Y CB 0.361 38.754 38.460 -0.111 0.000 0.977 2104 Y HN 0.116 nan 8.280 nan 0.000 0.538 2105 E N -0.509 119.710 120.200 0.031 0.000 2.268 2105 E HA -0.135 4.220 4.350 0.008 0.000 0.195 2105 E C 0.236 176.811 176.600 -0.042 0.000 0.995 2105 E CA 0.759 57.159 56.400 -0.000 0.000 0.836 2105 E CB -0.123 29.579 29.700 0.004 0.000 0.763 2105 E HN 0.273 nan 8.360 nan 0.000 0.491 2106 N N 0.060 118.733 118.700 -0.046 0.000 2.697 2106 N HA 0.100 4.845 4.740 0.008 0.000 0.253 2106 N C 0.378 175.877 175.510 -0.019 0.000 1.604 2106 N CA -0.013 53.020 53.050 -0.028 0.000 0.772 2106 N CB 0.045 38.541 38.487 0.015 0.000 1.267 2106 N HN -0.039 nan 8.380 nan 0.000 0.510 2107 L N 0.227 121.389 121.223 -0.102 0.000 2.275 2107 L HA -0.077 4.268 4.340 0.008 0.000 0.215 2107 L C 2.310 179.184 176.870 0.007 0.000 1.119 2107 L CA 0.923 55.721 54.840 -0.071 0.000 0.790 2107 L CB 0.031 41.966 42.059 -0.205 0.000 0.919 2107 L HN 0.512 nan 8.230 nan 0.000 0.443 2108 Q N 0.935 120.722 119.800 -0.023 0.000 2.084 2108 Q HA -0.274 4.071 4.340 0.008 0.000 0.202 2108 Q C 2.260 178.261 176.000 0.002 0.000 0.978 2108 Q CA 1.829 57.623 55.803 -0.015 0.000 0.844 2108 Q CB 0.046 28.770 28.738 -0.024 0.000 0.898 2108 Q HN 0.355 nan 8.270 nan 0.000 0.426 2109 K N -0.527 119.885 120.400 0.019 0.000 2.057 2109 K HA -0.169 4.156 4.320 0.008 0.000 0.206 2109 K C 1.941 178.553 176.600 0.019 0.000 1.050 2109 K CA 1.198 57.495 56.287 0.017 0.000 0.935 2109 K CB -0.333 32.188 32.500 0.034 0.000 0.715 2109 K HN 0.242 nan 8.250 nan 0.000 0.439 2110 F N 1.996 121.876 119.950 -0.116 0.000 2.091 2110 F HA -0.244 4.290 4.527 0.011 0.000 0.299 2110 F C 2.075 177.763 175.800 -0.187 0.000 1.103 2110 F CA 2.138 60.010 58.000 -0.213 0.000 1.228 2110 F CB -0.680 38.147 39.000 -0.287 0.000 0.984 2110 F HN 0.020 nan 8.300 nan 0.000 0.477 2111 T N 0.196 114.721 114.554 -0.048 0.000 2.746 2111 T HA -0.198 4.157 4.350 0.008 0.000 0.267 2111 T C 1.753 176.370 174.700 -0.138 0.000 1.039 2111 T CA 1.763 63.793 62.100 -0.116 0.000 1.142 2111 T CB -0.338 68.516 68.868 -0.024 0.000 0.866 2111 T HN 0.415 nan 8.240 nan 0.000 0.444 2112 E N 0.506 120.650 120.200 -0.092 0.000 2.077 2112 E HA -0.071 4.283 4.350 0.008 0.000 0.193 2112 E C 2.195 178.743 176.600 -0.086 0.000 0.989 2112 E CA 0.955 57.314 56.400 -0.070 0.000 0.800 2112 E CB -0.265 29.407 29.700 -0.046 0.000 0.746 2112 E HN 0.497 nan 8.360 nan 0.000 0.452 2113 I N 1.012 121.501 120.570 -0.135 0.000 2.202 2113 I HA -0.239 3.936 4.170 0.008 0.000 0.242 2113 I C 2.304 178.366 176.117 -0.092 0.000 1.091 2113 I CA 0.610 61.849 61.300 -0.102 0.000 1.368 2113 I CB -0.164 37.761 38.000 -0.124 0.000 1.058 2113 I HN 0.118 nan 8.210 nan 0.000 0.410 2114 I N 0.915 121.305 120.570 -0.299 0.000 2.286 2114 I HA -0.246 3.928 4.170 0.008 0.000 0.248 2114 I C 2.323 178.383 176.117 -0.096 0.000 1.115 2114 I CA 1.722 62.864 61.300 -0.262 0.000 1.392 2114 I CB -1.084 36.616 38.000 -0.499 0.000 1.065 2114 I HN 0.350 nan 8.210 nan 0.000 0.418 2115 E N 0.590 120.739 120.200 -0.085 0.000 2.347 2115 E HA -0.068 4.287 4.350 0.008 0.000 0.196 2115 E C 1.182 177.797 176.600 0.025 0.000 1.008 2115 E CA 0.282 56.667 56.400 -0.024 0.000 0.852 2115 E CB 0.092 29.775 29.700 -0.028 0.000 0.783 2115 E HN 0.496 nan 8.360 nan 0.000 0.505 2116 S N 0.406 116.132 115.700 0.044 0.000 2.655 2116 S HA 0.098 4.572 4.470 0.008 0.000 0.265 2116 S C 1.032 175.731 174.600 0.165 0.000 1.240 2116 S CA -0.692 57.566 58.200 0.098 0.000 0.986 2116 S CB 1.218 64.477 63.200 0.099 0.000 0.985 2116 S HN -0.085 nan 8.310 nan 0.000 0.562 2117 E N -0.173 120.157 120.200 0.217 0.000 2.418 2117 E HA -0.008 4.347 4.350 0.008 0.000 0.197 2117 E C 1.250 178.092 176.600 0.404 0.000 1.026 2117 E CA 0.246 56.837 56.400 0.320 0.000 0.862 2117 E CB -0.385 29.543 29.700 0.380 0.000 0.799 2117 E HN 0.768 nan 8.360 nan 0.000 0.518 2118 F N 1.249 121.297 119.950 0.163 0.000 2.161 2118 F HA -0.147 4.383 4.527 0.004 0.000 0.300 2118 F C 0.845 176.800 175.800 0.257 0.000 1.089 2118 F CA 0.905 58.993 58.000 0.146 0.000 1.282 2118 F CB 0.301 39.334 39.000 0.056 0.000 1.010 2118 F HN -0.189 nan 8.300 nan 0.000 0.485 2119 I N 2.392 123.061 120.570 0.165 0.000 2.336 2119 I HA 0.267 4.442 4.170 0.008 0.000 0.292 2119 I C -0.754 175.370 176.117 0.012 0.000 0.991 2119 I CA -0.468 60.867 61.300 0.060 0.000 1.227 2119 I CB 1.104 39.179 38.000 0.126 0.000 1.366 2119 I HN 0.078 nan 8.210 nan 0.000 0.466 2120 Q N 5.741 125.488 119.800 -0.088 0.000 2.304 2120 Q HA 0.505 4.849 4.340 0.008 0.000 0.270 2120 Q C -0.739 175.091 176.000 -0.285 0.000 1.035 2120 Q CA -0.763 54.842 55.803 -0.331 0.000 0.781 2120 Q CB 3.303 31.459 28.738 -0.970 0.000 1.261 2120 Q HN 0.380 nan 8.270 nan 0.000 0.444 2121 I N 1.877 122.329 120.570 -0.196 0.000 2.395 2121 I HA 0.214 4.388 4.170 0.008 0.000 0.289 2121 I C 0.446 176.475 176.117 -0.148 0.000 1.023 2121 I CA -0.214 61.022 61.300 -0.108 0.000 1.350 2121 I CB 0.683 38.657 38.000 -0.042 0.000 1.409 2121 I HN 0.482 nan 8.210 nan 0.000 0.507 2122 E N 4.384 124.552 120.200 -0.055 0.000 2.109 2122 E HA 0.402 4.757 4.350 0.008 0.000 0.278 2122 E C 0.368 177.049 176.600 0.134 0.000 0.954 2122 E CA -0.477 55.910 56.400 -0.023 0.000 0.779 2122 E CB 1.516 31.292 29.700 0.127 0.000 1.093 2122 E HN 0.778 nan 8.360 nan 0.000 0.401 2123 G N 3.507 112.352 108.800 0.075 0.000 2.621 2123 G HA2 0.085 4.050 3.960 0.008 0.000 0.306 2123 G HA3 0.085 4.050 3.960 0.008 0.000 0.306 2123 G C -0.655 174.331 174.900 0.143 0.000 0.893 2123 G CA -0.163 45.023 45.100 0.143 0.000 1.486 2123 G HN 0.394 nan 8.290 nan 0.000 0.477 2124 Y N 1.355 121.651 120.300 -0.006 0.000 2.411 2124 Y HA 0.339 4.893 4.550 0.007 0.000 0.333 2124 Y C 0.887 176.737 175.900 -0.083 0.000 1.186 2124 Y CA 0.052 58.110 58.100 -0.071 0.000 1.381 2124 Y CB 1.146 39.495 38.460 -0.184 0.000 1.273 2124 Y HN 0.319 nan 8.280 nan 0.000 0.546 2125 I N 4.358 124.936 120.570 0.013 0.000 2.466 2125 I HA 0.205 4.380 4.170 0.008 0.000 0.279 2125 I C -1.191 174.845 176.117 -0.134 0.000 1.033 2125 I CA -0.700 60.544 61.300 -0.092 0.000 1.123 2125 I CB 1.125 39.076 38.000 -0.082 0.000 1.237 2125 I HN 0.171 nan 8.210 nan 0.000 0.460 2126 V N 7.419 127.238 119.914 -0.158 0.000 2.432 2126 V HA 0.245 4.370 4.120 0.008 0.000 0.271 2126 V C 0.768 176.697 176.094 -0.275 0.000 1.046 2126 V CA 0.049 62.234 62.300 -0.191 0.000 0.945 2126 V CB 1.485 33.201 31.823 -0.178 0.000 0.992 2126 V HN 0.649 nan 8.190 nan 0.000 0.471 2127 L N 3.383 124.362 121.223 -0.406 0.000 2.966 2127 L HA 0.358 4.702 4.340 0.008 0.000 0.262 2127 L C 0.668 177.351 176.870 -0.313 0.000 1.165 2127 L CA 0.024 54.577 54.840 -0.480 0.000 0.978 2127 L CB 0.292 41.807 42.059 -0.907 0.000 1.337 2127 L HN 0.574 nan 8.230 nan 0.000 0.563 2128 N N 1.850 120.437 118.700 -0.188 0.000 2.527 2128 N HA 0.184 4.929 4.740 0.008 0.000 0.236 2128 N C -1.622 173.866 175.510 -0.037 0.000 0.999 2128 N CA -2.226 50.819 53.050 -0.010 0.000 0.935 2128 N CB 1.382 39.915 38.487 0.076 0.000 1.132 2128 N HN -0.125 nan 8.380 nan 0.000 0.511 2129 P HA -0.074 nan 4.420 nan 0.000 0.222 2129 P C -0.215 177.070 177.300 -0.026 0.000 1.147 2129 P CA 1.076 64.155 63.100 -0.036 0.000 0.790 2129 P CB 0.471 32.159 31.700 -0.021 0.000 0.780 2130 D N 0.094 120.492 120.400 -0.004 0.000 2.319 2130 D HA 0.030 4.675 4.640 0.008 0.000 0.230 2130 D C 0.830 177.127 176.300 -0.006 0.000 1.094 2130 D CA 0.374 54.375 54.000 0.000 0.000 0.856 2130 D CB 0.195 41.005 40.800 0.018 0.000 0.915 2130 D HN 0.309 nan 8.370 nan 0.000 0.517 2131 S N -0.732 114.955 115.700 -0.022 0.000 2.651 2131 S HA 0.578 5.053 4.470 0.008 0.000 0.291 2131 S C 1.303 175.867 174.600 -0.059 0.000 1.141 2131 S CA -0.502 57.680 58.200 -0.030 0.000 1.027 2131 S CB 2.442 65.623 63.200 -0.031 0.000 1.043 2131 S HN -0.007 nan 8.310 nan 0.000 0.530 2132 A N 1.543 124.329 122.820 -0.058 0.000 1.902 2132 A HA -0.013 4.311 4.320 0.008 0.000 0.217 2132 A C 2.137 179.642 177.584 -0.131 0.000 1.181 2132 A CA 1.605 53.596 52.037 -0.076 0.000 0.623 2132 A CB -1.206 17.759 19.000 -0.058 0.000 0.818 2132 A HN 1.108 nan 8.150 nan 0.000 0.443 2133 V N -0.280 119.542 119.914 -0.153 0.000 2.427 2133 V HA -0.127 3.997 4.120 0.008 0.000 0.248 2133 V C 2.731 178.645 176.094 -0.300 0.000 1.051 2133 V CA 2.236 64.383 62.300 -0.254 0.000 1.048 2133 V CB -0.697 30.982 31.823 -0.241 0.000 0.666 2133 V HN 0.594 nan 8.190 nan 0.000 0.456 2134 A N 0.036 122.729 122.820 -0.211 0.000 1.902 2134 A HA -0.194 4.130 4.320 0.008 0.000 0.217 2134 A C 2.310 179.776 177.584 -0.197 0.000 1.181 2134 A CA 1.817 53.731 52.037 -0.205 0.000 0.623 2134 A CB -0.558 18.358 19.000 -0.140 0.000 0.818 2134 A HN 0.589 nan 8.150 nan 0.000 0.443 2135 R N -0.671 119.737 120.500 -0.153 0.000 2.070 2135 R HA -0.082 4.263 4.340 0.008 0.000 0.233 2135 R C 2.067 178.280 176.300 -0.145 0.000 1.137 2135 R CA 1.550 57.579 56.100 -0.118 0.000 0.945 2135 R CB -0.657 29.596 30.300 -0.078 0.000 0.845 2135 R HN 0.391 nan 8.270 nan 0.000 0.430 2136 V N 0.889 120.686 119.914 -0.194 0.000 2.343 2136 V HA -0.205 3.919 4.120 0.008 0.000 0.247 2136 V C 2.319 178.168 176.094 -0.409 0.000 1.051 2136 V CA 2.256 64.435 62.300 -0.202 0.000 1.036 2136 V CB -0.718 30.979 31.823 -0.211 0.000 0.654 2136 V HN 0.560 nan 8.190 nan 0.000 0.451 2137 T N -3.754 110.356 114.554 -0.739 0.000 3.129 2137 T HA 0.055 4.410 4.350 0.008 0.000 0.251 2137 T C 0.797 175.209 174.700 -0.480 0.000 1.117 2137 T CA -0.167 61.236 62.100 -1.163 0.000 1.034 2137 T CB -0.138 68.010 68.868 -1.200 0.000 0.968 2137 T HN 0.407 nan 8.240 nan 0.000 0.526 2138 K N 0.580 120.828 120.400 -0.253 0.000 3.071 2138 K HA -0.129 4.195 4.320 0.008 0.000 0.265 2138 K C 0.379 176.905 176.600 -0.125 0.000 1.060 2138 K CA 0.718 56.935 56.287 -0.116 0.000 0.767 2138 K CB -2.701 29.788 32.500 -0.019 0.000 1.241 2138 K HN 0.801 nan 8.250 nan 0.000 0.486 2139 A N 0.764 123.474 122.820 -0.182 0.000 2.511 2139 A HA 0.297 4.622 4.320 0.008 0.000 0.242 2139 A C 0.833 178.341 177.584 -0.126 0.000 1.069 2139 A CA -0.144 51.790 52.037 -0.172 0.000 0.763 2139 A CB 0.186 19.060 19.000 -0.210 0.000 1.001 2139 A HN 0.348 nan 8.150 nan 0.000 0.498 2140 L N 3.230 124.378 121.223 -0.125 0.000 2.358 2140 L HA 0.114 4.459 4.340 0.008 0.000 0.274 2140 L C 0.356 177.158 176.870 -0.113 0.000 1.136 2140 L CA -0.643 54.145 54.840 -0.086 0.000 0.970 2140 L CB 0.235 42.267 42.059 -0.045 0.000 1.314 2140 L HN 0.904 nan 8.230 nan 0.000 0.427 2141 C N 0.391 119.633 119.300 -0.097 0.000 2.514 2141 C HA -0.015 4.449 4.460 0.008 0.000 0.271 2141 C C 1.647 176.603 174.990 -0.056 0.000 1.399 2141 C CA -0.160 58.796 59.018 -0.102 0.000 1.765 2141 C CB -1.068 26.615 27.740 -0.095 0.000 1.893 2141 C HN 0.803 nan 8.230 nan 0.000 0.531 2142 N N 2.235 120.919 118.700 -0.027 0.000 3.178 2142 N HA 0.275 5.020 4.740 0.008 0.000 0.300 2142 N C -0.453 175.066 175.510 0.014 0.000 1.242 2142 N CA 0.004 53.053 53.050 -0.001 0.000 1.192 2142 N CB -0.508 37.982 38.487 0.005 0.000 1.463 2142 N HN 0.631 nan 8.380 nan 0.000 0.539 2143 I N -1.887 118.692 120.570 0.014 0.000 2.647 2143 I HA 0.604 4.779 4.170 0.008 0.000 0.295 2143 I C -0.563 175.579 176.117 0.041 0.000 1.078 2143 I CA -1.252 60.074 61.300 0.043 0.000 1.048 2143 I CB 1.868 39.912 38.000 0.074 0.000 1.239 2143 I HN -0.008 nan 8.210 nan 0.000 0.421 2144 D N 4.358 124.785 120.400 0.046 0.000 2.433 2144 D HA 0.139 4.783 4.640 0.008 0.000 0.255 2144 D C 0.988 177.313 176.300 0.043 0.000 1.226 2144 D CA -0.584 53.440 54.000 0.039 0.000 1.015 2144 D CB 0.772 41.589 40.800 0.028 0.000 1.091 2144 D HN 0.789 nan 8.370 nan 0.000 0.527 2145 K N -0.433 119.986 120.400 0.031 0.000 2.147 2145 K HA -0.201 4.124 4.320 0.008 0.000 0.205 2145 K C 1.299 177.916 176.600 0.028 0.000 1.049 2145 K CA 1.218 57.522 56.287 0.027 0.000 0.936 2145 K CB -0.202 32.300 32.500 0.003 0.000 0.722 2145 K HN 0.261 nan 8.250 nan 0.000 0.446 2146 E N 1.068 121.281 120.200 0.021 0.000 2.106 2146 E HA -0.115 4.239 4.350 0.008 0.000 0.192 2146 E C 1.802 178.419 176.600 0.029 0.000 0.984 2146 E CA 0.780 57.190 56.400 0.016 0.000 0.806 2146 E CB -0.170 29.534 29.700 0.006 0.000 0.750 2146 E HN 0.219 nan 8.360 nan 0.000 0.458 2147 L N 0.253 121.506 121.223 0.050 0.000 2.156 2147 L HA 0.080 4.425 4.340 0.008 0.000 0.208 2147 L C 1.963 178.940 176.870 0.180 0.000 1.095 2147 L CA 1.660 56.548 54.840 0.081 0.000 0.770 2147 L CB -0.778 41.344 42.059 0.105 0.000 0.914 2147 L HN 0.097 nan 8.230 nan 0.000 0.439 2148 A N -0.314 122.595 122.820 0.149 0.000 1.877 2148 A HA -0.110 4.215 4.320 0.008 0.000 0.216 2148 A C 2.448 180.116 177.584 0.139 0.000 1.186 2148 A CA 1.760 53.889 52.037 0.153 0.000 0.620 2148 A CB -1.142 17.901 19.000 0.073 0.000 0.822 2148 A HN 0.527 nan 8.150 nan 0.000 0.443 2149 A N -0.676 122.193 122.820 0.082 0.000 1.972 2149 A HA -0.046 4.278 4.320 0.008 0.000 0.219 2149 A C 2.403 180.012 177.584 0.042 0.000 1.169 2149 A CA 1.998 54.067 52.037 0.053 0.000 0.635 2149 A CB -0.722 18.293 19.000 0.026 0.000 0.810 2149 A HN 0.449 nan 8.150 nan 0.000 0.446 2150 S N -1.546 114.171 115.700 0.028 0.000 2.368 2150 S HA -0.116 4.358 4.470 0.008 0.000 0.224 2150 S C 1.761 176.327 174.600 -0.057 0.000 1.029 2150 S CA 1.291 59.465 58.200 -0.045 0.000 0.988 2150 S CB -0.532 62.608 63.200 -0.100 0.000 0.838 2150 S HN 0.688 nan 8.310 nan 0.000 0.462 2151 Y N 1.702 121.988 120.300 -0.023 0.000 2.224 2151 Y HA -0.124 4.430 4.550 0.007 0.000 0.289 2151 Y C 2.635 178.521 175.900 -0.024 0.000 1.146 2151 Y CA 0.865 58.952 58.100 -0.021 0.000 1.182 2151 Y CB -0.474 37.986 38.460 -0.001 0.000 0.983 2151 Y HN 0.279 nan 8.280 nan 0.000 0.524 2152 A N -0.099 122.810 122.820 0.148 0.000 1.933 2152 A HA -0.168 4.157 4.320 0.008 0.000 0.218 2152 A C 2.172 179.772 177.584 0.028 0.000 1.175 2152 A CA 1.508 53.594 52.037 0.081 0.000 0.628 2152 A CB -1.004 18.036 19.000 0.066 0.000 0.814 2152 A HN 0.491 nan 8.150 nan 0.000 0.444 2153 L N -0.657 120.565 121.223 -0.002 0.000 2.141 2153 L HA -0.131 4.214 4.340 0.008 0.000 0.209 2153 L C 2.492 179.303 176.870 -0.098 0.000 1.094 2153 L CA 0.731 55.546 54.840 -0.042 0.000 0.763 2153 L CB -0.423 41.607 42.059 -0.048 0.000 0.908 2153 L HN 0.245 nan 8.230 nan 0.000 0.437 2154 V N 0.158 119.992 119.914 -0.134 0.000 2.295 2154 V HA -0.234 3.891 4.120 0.008 0.000 0.246 2154 V C 2.611 178.502 176.094 -0.339 0.000 1.049 2154 V CA 2.080 64.207 62.300 -0.288 0.000 1.024 2154 V CB -1.230 30.420 31.823 -0.288 0.000 0.648 2154 V HN 0.572 nan 8.190 nan 0.000 0.447 2155 G N -0.805 107.932 108.800 -0.106 0.000 2.433 2155 G HA2 -0.301 3.664 3.960 0.008 0.000 0.216 2155 G HA3 -0.301 3.664 3.960 0.008 0.000 0.216 2155 G C 1.568 176.488 174.900 0.034 0.000 1.186 2155 G CA 1.039 46.159 45.100 0.033 0.000 0.779 2155 G HN 0.574 nan 8.290 nan 0.000 0.543 2156 E N -0.117 120.084 120.200 0.002 0.000 2.046 2156 E HA -0.083 4.271 4.350 0.008 0.000 0.190 2156 E C 2.254 178.852 176.600 -0.003 0.000 0.982 2156 E CA 0.771 57.177 56.400 0.010 0.000 0.800 2156 E CB 0.054 29.757 29.700 0.004 0.000 0.756 2156 E HN 0.120 nan 8.360 nan 0.000 0.449 2157 K N 0.183 120.557 120.400 -0.044 0.000 2.262 2157 K HA 0.065 4.390 4.320 0.008 0.000 0.200 2157 K C 2.129 178.692 176.600 -0.061 0.000 1.049 2157 K CA 0.460 56.720 56.287 -0.045 0.000 0.979 2157 K CB 0.146 32.614 32.500 -0.052 0.000 0.773 2157 K HN 0.278 nan 8.250 nan 0.000 0.474 2158 L N -0.983 120.146 121.223 -0.157 0.000 2.316 2158 L HA 0.102 4.446 4.340 0.008 0.000 0.207 2158 L C 1.250 178.152 176.870 0.055 0.000 1.070 2158 L CA 0.541 55.275 54.840 -0.177 0.000 0.820 2158 L CB -0.038 41.742 42.059 -0.465 0.000 0.992 2158 L HN -0.037 nan 8.230 nan 0.000 0.466 2159 F N -0.450 119.519 119.950 0.030 0.000 2.704 2159 F HA 0.216 4.747 4.527 0.005 0.000 0.304 2159 F C 0.851 176.666 175.800 0.025 0.000 1.094 2159 F CA -1.032 56.989 58.000 0.034 0.000 1.275 2159 F CB -1.060 37.970 39.000 0.049 0.000 1.073 2159 F HN 0.099 nan 8.300 nan 0.000 0.586 2160 N N 0.968 119.772 118.700 0.174 0.000 2.721 2160 N HA -0.206 4.539 4.740 0.008 0.000 0.249 2160 N C -0.528 175.038 175.510 0.094 0.000 1.072 2160 N CA -0.164 52.948 53.050 0.102 0.000 0.710 2160 N CB -1.389 37.148 38.487 0.084 0.000 0.993 2160 N HN 0.188 nan 8.380 nan 0.000 0.547 2161 L N 0.722 122.012 121.223 0.112 0.000 2.456 2161 L HA 0.112 4.457 4.340 0.008 0.000 0.272 2161 L C -0.649 176.236 176.870 0.024 0.000 1.189 2161 L CA -1.176 53.705 54.840 0.069 0.000 0.846 2161 L CB 0.242 42.357 42.059 0.092 0.000 1.111 2161 L HN -0.013 nan 8.230 nan 0.000 0.475 2162 P HA 0.071 nan 4.420 nan 0.000 0.235 2162 P C 0.124 177.418 177.300 -0.009 0.000 1.177 2162 P CA 0.953 64.075 63.100 0.036 0.000 0.785 2162 P CB 0.684 32.442 31.700 0.097 0.000 0.885 2163 I N 0.239 120.708 120.570 -0.169 0.000 2.619 2163 I HA 0.317 4.492 4.170 0.008 0.000 0.292 2163 I C -0.541 175.438 176.117 -0.231 0.000 1.100 2163 I CA -1.088 59.997 61.300 -0.358 0.000 1.043 2163 I CB 2.710 40.225 38.000 -0.808 0.000 1.239 2163 I HN -0.308 nan 8.210 nan 0.000 0.420 2164 I N 5.782 126.244 120.570 -0.181 0.000 2.406 2164 I HA 0.293 4.468 4.170 0.008 0.000 0.290 2164 I C -1.039 175.047 176.117 -0.052 0.000 0.999 2164 I CA -0.624 60.642 61.300 -0.056 0.000 1.124 2164 I CB 1.480 39.484 38.000 0.007 0.000 1.289 2164 I HN 0.542 nan 8.210 nan 0.000 0.441 2165 Y N 6.707 126.872 120.300 -0.225 0.000 2.376 2165 Y HA 0.509 5.063 4.550 0.007 0.000 0.326 2165 Y C -0.182 175.543 175.900 -0.292 0.000 0.970 2165 Y CA -0.784 57.133 58.100 -0.306 0.000 1.248 2165 Y CB 1.243 39.290 38.460 -0.690 0.000 1.117 2165 Y HN 0.413 nan 8.280 nan 0.000 0.476 2166 I N 5.330 126.003 120.570 0.172 0.000 2.396 2166 I HA 0.102 4.277 4.170 0.008 0.000 0.289 2166 I C -0.415 175.746 176.117 0.074 0.000 1.056 2166 I CA 0.142 61.513 61.300 0.118 0.000 1.365 2166 I CB 1.037 39.193 38.000 0.259 0.000 1.407 2166 I HN 0.591 nan 8.210 nan 0.000 0.509 2167 E N 5.967 126.132 120.200 -0.059 0.000 2.220 2167 E HA 0.260 4.614 4.350 0.008 0.000 0.256 2167 E C -1.118 175.401 176.600 -0.134 0.000 0.881 2167 E CA -0.321 56.039 56.400 -0.065 0.000 0.766 2167 E CB 0.713 30.380 29.700 -0.056 0.000 1.187 2167 E HN 0.423 nan 8.360 nan 0.000 0.419 2168 Y N 2.479 122.728 120.300 -0.085 0.000 2.584 2168 Y HA 0.259 4.813 4.550 0.007 0.000 0.254 2168 Y C 0.725 176.626 175.900 0.001 0.000 1.177 2168 Y CA -0.161 57.930 58.100 -0.015 0.000 1.216 2168 Y CB 0.747 39.232 38.460 0.042 0.000 1.172 2168 Y HN 0.542 nan 8.280 nan 0.000 0.529 2169 S N 1.029 116.793 115.700 0.106 0.000 4.607 2169 S HA -0.068 4.406 4.470 0.008 0.000 0.553 2169 S C 1.365 176.019 174.600 0.090 0.000 0.985 2169 S CA 1.401 59.649 58.200 0.080 0.000 1.016 2169 S CB -0.704 62.515 63.200 0.032 0.000 1.258 2169 S HN 1.133 nan 8.310 nan 0.000 0.434 2170 G N 2.366 111.228 108.800 0.102 0.000 2.176 2170 G HA2 -0.163 3.802 3.960 0.008 0.000 0.232 2170 G HA3 -0.163 3.802 3.960 0.008 0.000 0.232 2170 G C 0.344 175.314 174.900 0.116 0.000 0.986 2170 G CA 0.426 45.582 45.100 0.094 0.000 0.643 2170 G HN 1.487 nan 8.290 nan 0.000 0.522 2171 T N -1.417 113.232 114.554 0.158 0.000 2.786 2171 T HA 0.491 4.845 4.350 0.008 0.000 0.316 2171 T C -1.720 173.103 174.700 0.204 0.000 1.503 2171 T CA -0.327 61.873 62.100 0.167 0.000 1.019 2171 T CB 1.308 70.267 68.868 0.152 0.000 1.415 2171 T HN 0.955 nan 8.240 nan 0.000 0.496 2172 Y N 2.031 122.348 120.300 0.029 0.000 2.336 2172 Y HA 0.598 5.152 4.550 0.008 0.000 0.335 2172 Y C 0.684 176.445 175.900 -0.231 0.000 1.046 2172 Y CA 0.170 58.262 58.100 -0.012 0.000 1.198 2172 Y CB 0.596 39.045 38.460 -0.017 0.000 1.182 2172 Y HN 0.797 nan 8.280 nan 0.000 0.502 2173 G N 3.814 112.042 108.800 -0.954 0.000 2.588 2173 G HA2 -0.012 3.952 3.960 0.008 0.000 0.278 2173 G HA3 -0.012 3.952 3.960 0.008 0.000 0.278 2173 G C -0.738 173.524 174.900 -1.063 0.000 1.307 2173 G CA -0.831 43.239 45.100 -1.717 0.000 1.016 2173 G HN 0.682 nan 8.290 nan 0.000 0.503 2174 N N 0.758 119.028 118.700 -0.717 0.000 2.406 2174 N HA 0.226 4.971 4.740 0.008 0.000 0.251 2174 N C -1.027 174.292 175.510 -0.318 0.000 1.069 2174 N CA -2.299 50.552 53.050 -0.331 0.000 0.947 2174 N CB 1.693 40.120 38.487 -0.101 0.000 1.111 2174 N HN 0.030 nan 8.380 nan 0.000 0.497 2175 P HA -0.136 nan 4.420 nan 0.000 0.220 2175 P C 0.414 177.466 177.300 -0.415 0.000 1.148 2175 P CA 1.239 64.155 63.100 -0.306 0.000 0.803 2175 P CB 0.513 32.159 31.700 -0.091 0.000 0.782 2176 E N -0.306 119.725 120.200 -0.281 0.000 2.150 2176 E HA -0.109 4.245 4.350 0.008 0.000 0.193 2176 E C 2.155 178.627 176.600 -0.214 0.000 0.985 2176 E CA 0.483 56.723 56.400 -0.266 0.000 0.814 2176 E CB -0.473 29.140 29.700 -0.143 0.000 0.752 2176 E HN 0.236 nan 8.360 nan 0.000 0.466 2177 L N 0.590 121.732 121.223 -0.136 0.000 2.072 2177 L HA -0.129 4.215 4.340 0.008 0.000 0.205 2177 L C 2.240 179.080 176.870 -0.051 0.000 1.079 2177 L CA 0.760 55.572 54.840 -0.046 0.000 0.752 2177 L CB 0.044 42.138 42.059 0.059 0.000 0.906 2177 L HN -0.055 nan 8.230 nan 0.000 0.436 2178 V N 0.401 120.261 119.914 -0.089 0.000 2.343 2178 V HA -0.276 3.848 4.120 0.008 0.000 0.247 2178 V C 2.838 178.866 176.094 -0.110 0.000 1.051 2178 V CA 1.627 63.904 62.300 -0.039 0.000 1.036 2178 V CB -1.235 30.553 31.823 -0.060 0.000 0.654 2178 V HN 0.593 nan 8.190 nan 0.000 0.451 2179 A N -0.008 122.578 122.820 -0.391 0.000 1.902 2179 A HA -0.265 4.059 4.320 0.008 0.000 0.217 2179 A C 2.207 179.706 177.584 -0.141 0.000 1.181 2179 A CA 2.088 53.879 52.037 -0.410 0.000 0.623 2179 A CB -0.487 18.015 19.000 -0.830 0.000 0.818 2179 A HN 0.558 nan 8.150 nan 0.000 0.443 2180 E N -0.186 119.940 120.200 -0.123 0.000 2.077 2180 E HA -0.115 4.239 4.350 0.008 0.000 0.193 2180 E C 1.829 178.423 176.600 -0.011 0.000 0.989 2180 E CA 1.508 57.877 56.400 -0.052 0.000 0.800 2180 E CB -0.329 29.347 29.700 -0.040 0.000 0.746 2180 E HN 0.247 nan 8.360 nan 0.000 0.452 2181 V N 0.738 120.655 119.914 0.006 0.000 2.343 2181 V HA -0.242 3.883 4.120 0.008 0.000 0.247 2181 V C 2.339 178.457 176.094 0.041 0.000 1.051 2181 V CA 2.005 64.325 62.300 0.035 0.000 1.036 2181 V CB -0.575 31.284 31.823 0.060 0.000 0.654 2181 V HN 0.225 nan 8.190 nan 0.000 0.451 2182 K N 0.938 121.368 120.400 0.051 0.000 2.103 2182 K HA -0.192 4.133 4.320 0.008 0.000 0.207 2182 K C 2.016 178.645 176.600 0.049 0.000 1.048 2182 K CA 1.656 57.984 56.287 0.069 0.000 0.930 2182 K CB -0.360 32.207 32.500 0.113 0.000 0.716 2182 K HN 0.408 nan 8.250 nan 0.000 0.444 2183 K N -0.134 120.287 120.400 0.035 0.000 2.103 2183 K HA -0.108 4.216 4.320 0.008 0.000 0.207 2183 K C 1.864 178.475 176.600 0.017 0.000 1.048 2183 K CA 1.603 57.905 56.287 0.024 0.000 0.930 2183 K CB -0.184 32.322 32.500 0.011 0.000 0.716 2183 K HN 0.256 nan 8.250 nan 0.000 0.444 2184 V N -1.004 118.919 119.914 0.015 0.000 3.052 2184 V HA 0.110 4.235 4.120 0.008 0.000 0.254 2184 V C 0.881 176.981 176.094 0.009 0.000 1.100 2184 V CA 0.263 62.568 62.300 0.009 0.000 1.112 2184 V CB -0.464 31.362 31.823 0.005 0.000 0.738 2184 V HN 0.040 nan 8.190 nan 0.000 0.469 2185 L N 1.090 122.323 121.223 0.017 0.000 2.453 2185 L HA 0.400 4.745 4.340 0.008 0.000 0.261 2185 L C 1.079 177.956 176.870 0.012 0.000 1.179 2185 L CA 0.538 55.388 54.840 0.016 0.000 0.813 2185 L CB 1.041 43.115 42.059 0.025 0.000 1.110 2185 L HN 0.260 nan 8.230 nan 0.000 0.466 2186 D N -0.301 120.103 120.400 0.006 0.000 3.203 2186 D HA 0.025 4.669 4.640 0.008 0.000 0.249 2186 D C 1.382 177.679 176.300 -0.004 0.000 1.522 2186 D CA 0.568 54.569 54.000 0.001 0.000 1.248 2186 D CB 0.440 41.239 40.800 -0.002 0.000 1.126 2186 D HN 0.335 nan 8.370 nan 0.000 0.326 2187 K N 0.261 120.658 120.400 -0.006 0.000 2.323 2187 K HA 0.432 4.757 4.320 0.008 0.000 0.197 2187 K C 0.518 177.109 176.600 -0.014 0.000 1.043 2187 K CA 0.176 56.454 56.287 -0.015 0.000 0.997 2187 K CB 0.710 33.203 32.500 -0.011 0.000 0.807 2187 K HN 0.132 nan 8.250 nan 0.000 0.497 2188 A N 2.073 124.893 122.820 -0.000 0.000 2.388 2188 A HA 0.214 4.539 4.320 0.008 0.000 0.257 2188 A C -0.082 177.507 177.584 0.007 0.000 1.095 2188 A CA -0.373 51.666 52.037 0.003 0.000 0.791 2188 A CB 0.364 19.364 19.000 0.001 0.000 1.029 2188 A HN 0.067 nan 8.150 nan 0.000 0.489 2189 R N 0.652 121.163 120.500 0.018 0.000 2.441 2189 R HA 0.292 4.636 4.340 0.008 0.000 0.284 2189 R C -0.944 175.400 176.300 0.074 0.000 1.070 2189 R CA -0.625 55.522 56.100 0.079 0.000 1.047 2189 R CB 0.914 31.340 30.300 0.210 0.000 1.016 2189 R HN 0.567 nan 8.270 nan 0.000 0.477 2190 L N 4.232 125.556 121.223 0.168 0.000 2.262 2190 L HA 0.402 4.746 4.340 0.008 0.000 0.288 2190 L C -1.216 175.865 176.870 0.353 0.000 1.035 2190 L CA -0.198 54.748 54.840 0.177 0.000 0.820 2190 L CB 0.341 42.486 42.059 0.142 0.000 1.204 2190 L HN 0.252 nan 8.230 nan 0.000 0.424 2191 F N 5.009 124.913 119.950 -0.078 0.000 2.399 2191 F HA 0.419 4.950 4.527 0.007 0.000 0.334 2191 F C -0.391 175.280 175.800 -0.217 0.000 1.097 2191 F CA -0.768 57.082 58.000 -0.249 0.000 1.076 2191 F CB 1.238 39.835 39.000 -0.671 0.000 1.162 2191 F HN 0.448 nan 8.300 nan 0.000 0.495 2192 Y N 0.830 121.072 120.300 -0.098 0.000 2.406 2192 Y HA 0.712 5.266 4.550 0.007 0.000 0.340 2192 Y C -0.638 175.246 175.900 -0.027 0.000 0.975 2192 Y CA -0.897 57.196 58.100 -0.012 0.000 1.056 2192 Y CB 1.949 40.440 38.460 0.051 0.000 1.210 2192 Y HN 0.663 nan 8.280 nan 0.000 0.448 2193 G N 1.892 110.129 108.800 -0.938 0.000 2.638 2193 G HA2 0.600 4.565 3.960 0.008 0.000 0.302 2193 G HA3 0.600 4.565 3.960 0.008 0.000 0.302 2193 G C -0.848 173.654 174.900 -0.663 0.000 1.365 2193 G CA -0.745 44.040 45.100 -0.525 0.000 0.987 2193 G HN 1.429 nan 8.290 nan 0.000 0.495 2194 G N -0.806 107.870 108.800 -0.206 0.000 2.400 2194 G HA2 0.503 4.467 3.960 0.008 0.000 0.199 2194 G HA3 0.503 4.467 3.960 0.008 0.000 0.199 2194 G C 0.705 175.784 174.900 0.298 0.000 1.383 2194 G CA 0.690 45.831 45.100 0.068 0.000 1.117 2194 G HN 2.314 nan 8.290 nan 0.000 0.621 2195 G N 0.535 109.476 108.800 0.235 0.000 2.203 2195 G HA2 -0.258 3.706 3.960 0.008 0.000 0.263 2195 G HA3 -0.258 3.706 3.960 0.008 0.000 0.263 2195 G C 0.585 175.635 174.900 0.251 0.000 1.012 2195 G CA 0.603 45.853 45.100 0.250 0.000 0.749 2195 G HN 1.438 nan 8.290 nan 0.000 0.512 2196 I N 1.592 122.312 120.570 0.249 0.000 2.329 2196 I HA 0.259 4.434 4.170 0.008 0.000 0.295 2196 I C 0.492 176.665 176.117 0.094 0.000 1.109 2196 I CA 0.243 61.652 61.300 0.182 0.000 1.297 2196 I CB 0.663 38.791 38.000 0.214 0.000 1.433 2196 I HN 0.264 nan 8.210 nan 0.000 0.509 2197 D N 3.105 123.526 120.400 0.036 0.000 2.636 2197 D HA 0.098 4.743 4.640 0.008 0.000 0.270 2197 D C -0.071 176.219 176.300 -0.016 0.000 1.430 2197 D CA -0.224 53.791 54.000 0.025 0.000 0.796 2197 D CB 0.307 41.126 40.800 0.032 0.000 1.117 2197 D HN 0.388 nan 8.370 nan 0.000 0.480 2198 S N -1.535 114.138 115.700 -0.045 0.000 2.588 2198 S HA 0.399 4.874 4.470 0.008 0.000 0.269 2198 S C 0.605 175.160 174.600 -0.075 0.000 1.157 2198 S CA -0.955 57.204 58.200 -0.069 0.000 0.824 2198 S CB 2.570 65.712 63.200 -0.097 0.000 1.126 2198 S HN 0.009 nan 8.310 nan 0.000 0.464 2199 R N 0.505 120.959 120.500 -0.076 0.000 2.096 2199 R HA -0.095 4.249 4.340 0.008 0.000 0.235 2199 R C 1.277 177.531 176.300 -0.076 0.000 1.127 2199 R CA 2.096 58.151 56.100 -0.076 0.000 0.968 2199 R CB -0.485 29.771 30.300 -0.074 0.000 0.861 2199 R HN 0.795 nan 8.270 nan 0.000 0.440 2200 E N 0.524 120.669 120.200 -0.092 0.000 2.077 2200 E HA -0.154 4.201 4.350 0.008 0.000 0.193 2200 E C 1.905 178.432 176.600 -0.122 0.000 0.989 2200 E CA 1.581 57.921 56.400 -0.100 0.000 0.800 2200 E CB 0.056 29.688 29.700 -0.113 0.000 0.746 2200 E HN 0.332 nan 8.360 nan 0.000 0.452 2201 K N -0.048 120.238 120.400 -0.189 0.000 2.103 2201 K HA 0.045 4.370 4.320 0.008 0.000 0.204 2201 K C 2.126 178.730 176.600 0.006 0.000 1.052 2201 K CA 0.941 57.083 56.287 -0.242 0.000 0.945 2201 K CB -0.066 32.143 32.500 -0.485 0.000 0.722 2201 K HN 0.099 nan 8.250 nan 0.000 0.443 2202 A N 1.680 124.498 122.820 -0.003 0.000 1.873 2202 A HA -0.154 4.170 4.320 0.008 0.000 0.215 2202 A C 2.046 179.636 177.584 0.009 0.000 1.186 2202 A CA 1.246 53.305 52.037 0.037 0.000 0.616 2202 A CB -0.349 18.663 19.000 0.021 0.000 0.823 2202 A HN 0.178 nan 8.150 nan 0.000 0.442 2203 R N -0.666 119.818 120.500 -0.027 0.000 2.092 2203 R HA -0.128 4.217 4.340 0.008 0.000 0.231 2203 R C 2.288 178.549 176.300 -0.065 0.000 1.119 2203 R CA 1.464 57.535 56.100 -0.049 0.000 0.970 2203 R CB -0.259 30.006 30.300 -0.058 0.000 0.864 2203 R HN 0.804 nan 8.270 nan 0.000 0.440 2204 E N 0.444 120.626 120.200 -0.029 0.000 2.028 2204 E HA -0.176 4.179 4.350 0.008 0.000 0.191 2204 E C 1.853 178.427 176.600 -0.042 0.000 0.988 2204 E CA 1.062 57.454 56.400 -0.013 0.000 0.799 2204 E CB 0.155 29.919 29.700 0.106 0.000 0.755 2204 E HN 0.089 nan 8.360 nan 0.000 0.447 2205 M N 0.367 119.973 119.600 0.011 0.000 2.296 2205 M HA -0.077 4.408 4.480 0.008 0.000 0.265 2205 M C 2.196 178.461 176.300 -0.057 0.000 1.064 2205 M CA 1.026 56.294 55.300 -0.053 0.000 1.109 2205 M CB -0.579 31.906 32.600 -0.193 0.000 1.396 2205 M HN 0.245 nan 8.290 nan 0.000 0.430 2206 L N -0.768 120.416 121.223 -0.065 0.000 2.456 2206 L HA -0.141 4.204 4.340 0.008 0.000 0.224 2206 L C 2.345 179.112 176.870 -0.172 0.000 1.148 2206 L CA 0.477 55.275 54.840 -0.070 0.000 0.825 2206 L CB -0.368 41.666 42.059 -0.043 0.000 0.937 2206 L HN 0.280 nan 8.230 nan 0.000 0.450 2207 R N -1.284 118.993 120.500 -0.372 0.000 2.148 2207 R HA -0.102 4.243 4.340 0.008 0.000 0.223 2207 R C 1.438 177.366 176.300 -0.621 0.000 1.088 2207 R CA 1.357 57.089 56.100 -0.612 0.000 0.985 2207 R CB -0.016 29.643 30.300 -1.068 0.000 0.880 2207 R HN 0.406 nan 8.270 nan 0.000 0.451 2208 Y N -0.832 119.456 120.300 -0.020 0.000 2.609 2208 Y HA 0.377 4.931 4.550 0.007 0.000 0.281 2208 Y C 0.956 176.864 175.900 0.014 0.000 1.132 2208 Y CA -0.507 57.586 58.100 -0.012 0.000 1.264 2208 Y CB 0.198 38.636 38.460 -0.037 0.000 1.325 2208 Y HN -0.092 nan 8.280 nan 0.000 0.514 2209 A N 1.009 123.923 122.820 0.158 0.000 2.340 2209 A HA 0.152 4.477 4.320 0.008 0.000 0.268 2209 A C 0.392 178.041 177.584 0.109 0.000 1.100 2209 A CA -0.269 51.860 52.037 0.152 0.000 0.803 2209 A CB 0.192 19.306 19.000 0.189 0.000 1.043 2209 A HN 0.320 nan 8.150 nan 0.000 0.488 2210 D N 0.471 120.951 120.400 0.132 0.000 2.149 2210 D HA -0.001 4.644 4.640 0.008 0.000 0.201 2210 D C 0.086 176.442 176.300 0.094 0.000 0.972 2210 D CA 1.724 55.792 54.000 0.113 0.000 0.835 2210 D CB 0.102 40.990 40.800 0.147 0.000 0.966 2210 D HN 0.525 nan 8.370 nan 0.000 0.476 2211 T N 0.992 115.592 114.554 0.075 0.000 2.928 2211 T HA 0.501 4.856 4.350 0.008 0.000 0.296 2211 T C 0.114 174.738 174.700 -0.127 0.000 1.000 2211 T CA -0.746 61.306 62.100 -0.080 0.000 0.989 2211 T CB 2.137 70.783 68.868 -0.370 0.000 1.005 2211 T HN -0.007 nan 8.240 nan 0.000 0.442 2212 I N 0.489 121.002 120.570 -0.095 0.000 2.498 2212 I HA 0.697 4.872 4.170 0.008 0.000 0.301 2212 I C -0.878 175.094 176.117 -0.243 0.000 0.984 2212 I CA -1.167 60.096 61.300 -0.062 0.000 1.204 2212 I CB 1.017 39.053 38.000 0.059 0.000 1.362 2212 I HN 0.349 nan 8.210 nan 0.000 0.471 2213 I N 6.443 126.889 120.570 -0.208 0.000 2.378 2213 I HA 0.535 4.710 4.170 0.008 0.000 0.291 2213 I C 0.091 176.134 176.117 -0.124 0.000 0.992 2213 I CA -0.639 60.531 61.300 -0.217 0.000 1.154 2213 I CB 1.380 39.292 38.000 -0.146 0.000 1.315 2213 I HN 0.638 nan 8.210 nan 0.000 0.448 2214 V N 2.144 121.966 119.914 -0.154 0.000 3.102 2214 V HA 1.088 5.212 4.120 0.008 0.000 0.312 2214 V C 0.047 176.164 176.094 0.039 0.000 1.135 2214 V CA 0.087 62.376 62.300 -0.019 0.000 1.022 2214 V CB 1.931 33.763 31.823 0.015 0.000 1.056 2214 V HN 0.901 nan 8.190 nan 0.000 0.436 2215 G N 1.163 110.000 108.800 0.062 0.000 4.227 2215 G HA2 -0.074 3.891 3.960 0.008 0.000 0.200 2215 G HA3 -0.074 3.891 3.960 0.008 0.000 0.200 2215 G C 0.629 175.473 174.900 -0.093 0.000 0.920 2215 G CA 0.439 45.520 45.100 -0.032 0.000 0.953 2215 G HN 0.693 nan 8.290 nan 0.000 0.323 2216 N N 0.683 119.418 118.700 0.059 0.000 2.272 2216 N HA -0.109 4.635 4.740 0.008 0.000 0.185 2216 N C 2.164 177.709 175.510 0.058 0.000 1.014 2216 N CA 1.120 54.253 53.050 0.139 0.000 0.870 2216 N CB 0.240 38.822 38.487 0.158 0.000 0.975 2216 N HN 0.223 nan 8.380 nan 0.000 0.433 2217 V N 1.419 121.359 119.914 0.042 0.000 2.469 2217 V HA -0.217 3.908 4.120 0.008 0.000 0.251 2217 V C 1.780 177.869 176.094 -0.009 0.000 1.064 2217 V CA 1.460 63.791 62.300 0.052 0.000 1.066 2217 V CB -0.332 31.552 31.823 0.103 0.000 0.667 2217 V HN 0.266 nan 8.190 nan 0.000 0.461 2218 I N -0.768 119.702 120.570 -0.166 0.000 2.142 2218 I HA -0.249 3.926 4.170 0.008 0.000 0.240 2218 I C 2.390 178.358 176.117 -0.250 0.000 1.078 2218 I CA 2.175 63.278 61.300 -0.327 0.000 1.343 2218 I CB -0.518 37.033 38.000 -0.748 0.000 1.046 2218 I HN 0.354 nan 8.210 nan 0.000 0.405 2219 Y N 0.611 120.895 120.300 -0.027 0.000 2.314 2219 Y HA -0.113 4.442 4.550 0.007 0.000 0.293 2219 Y C 2.575 178.473 175.900 -0.003 0.000 1.129 2219 Y CA 0.643 58.731 58.100 -0.021 0.000 1.201 2219 Y CB -0.533 37.914 38.460 -0.022 0.000 0.999 2219 Y HN 0.135 nan 8.280 nan 0.000 0.541 2220 E N 0.270 120.555 120.200 0.142 0.000 2.086 2220 E HA -0.027 4.328 4.350 0.008 0.000 0.190 2220 E C 1.499 178.134 176.600 0.058 0.000 0.975 2220 E CA 0.954 57.410 56.400 0.094 0.000 0.813 2220 E CB -0.018 29.734 29.700 0.086 0.000 0.768 2220 E HN 0.461 nan 8.360 nan 0.000 0.457 2221 K N -0.526 119.900 120.400 0.045 0.000 2.412 2221 K HA 0.276 4.601 4.320 0.008 0.000 0.202 2221 K C 0.466 177.083 176.600 0.027 0.000 1.102 2221 K CA 0.474 56.781 56.287 0.033 0.000 1.027 2221 K CB 1.838 34.357 32.500 0.032 0.000 0.931 2221 K HN 0.139 nan 8.250 nan 0.000 0.557 2222 G N 1.205 110.017 108.800 0.019 0.000 2.541 2222 G HA2 -0.194 3.770 3.960 0.008 0.000 0.686 2222 G HA3 -0.194 3.770 3.960 0.008 0.000 0.686 2222 G C 0.356 175.273 174.900 0.029 0.000 1.286 2222 G CA -0.714 44.393 45.100 0.011 0.000 0.894 2222 G HN 0.002 nan 8.290 nan 0.000 0.575 2223 I N 0.127 120.709 120.570 0.020 0.000 2.163 2223 I HA -0.145 4.030 4.170 0.008 0.000 0.243 2223 I C 2.438 178.634 176.117 0.132 0.000 1.085 2223 I CA 1.873 63.216 61.300 0.072 0.000 1.347 2223 I CB -0.302 37.714 38.000 0.027 0.000 1.044 2223 I HN 0.548 nan 8.210 nan 0.000 0.408 2224 D N 1.125 121.562 120.400 0.062 0.000 2.123 2224 D HA -0.168 4.477 4.640 0.008 0.000 0.196 2224 D C 2.248 178.564 176.300 0.027 0.000 0.992 2224 D CA 1.644 55.665 54.000 0.035 0.000 0.833 2224 D CB -0.226 40.581 40.800 0.012 0.000 0.954 2224 D HN 0.363 nan 8.370 nan 0.000 0.455 2225 A N 0.287 123.132 122.820 0.042 0.000 1.933 2225 A HA -0.153 4.171 4.320 0.008 0.000 0.218 2225 A C 2.090 179.700 177.584 0.043 0.000 1.175 2225 A CA 1.047 53.101 52.037 0.029 0.000 0.628 2225 A CB -0.946 18.075 19.000 0.035 0.000 0.814 2225 A HN 0.289 nan 8.150 nan 0.000 0.444 2226 F N 0.787 120.710 119.950 -0.045 0.000 2.102 2226 F HA -0.128 4.403 4.527 0.007 0.000 0.298 2226 F C 1.750 177.529 175.800 -0.035 0.000 1.105 2226 F CA 1.696 59.671 58.000 -0.041 0.000 1.239 2226 F CB -0.385 38.571 39.000 -0.074 0.000 0.991 2226 F HN 0.125 nan 8.300 nan 0.000 0.474 2227 L N 0.299 121.372 121.223 -0.250 0.000 2.265 2227 L HA -0.171 4.174 4.340 0.008 0.000 0.215 2227 L C 2.263 178.942 176.870 -0.317 0.000 1.117 2227 L CA 1.027 55.642 54.840 -0.375 0.000 0.782 2227 L CB -0.755 41.230 42.059 -0.123 0.000 0.914 2227 L HN 0.168 nan 8.230 nan 0.000 0.441 2228 E N -0.219 119.858 120.200 -0.206 0.000 2.409 2228 E HA -0.141 4.214 4.350 0.008 0.000 0.198 2228 E C 2.055 178.553 176.600 -0.169 0.000 1.024 2228 E CA 1.516 57.825 56.400 -0.153 0.000 0.861 2228 E CB -0.020 29.624 29.700 -0.093 0.000 0.788 2228 E HN 0.567 nan 8.360 nan 0.000 0.521 2229 T N -1.608 112.808 114.554 -0.230 0.000 3.129 2229 T HA 0.079 4.434 4.350 0.008 0.000 0.251 2229 T C 1.005 175.613 174.700 -0.153 0.000 1.117 2229 T CA -0.293 61.729 62.100 -0.131 0.000 1.034 2229 T CB 0.140 68.993 68.868 -0.025 0.000 0.968 2229 T HN -0.143 nan 8.240 nan 0.000 0.526 2230 L N 2.593 123.592 121.223 -0.373 0.000 2.439 2230 L HA 0.390 4.735 4.340 0.008 0.000 0.269 2230 L C -1.549 175.178 176.870 -0.239 0.000 1.179 2230 L CA -1.400 53.148 54.840 -0.488 0.000 0.828 2230 L CB -0.003 41.751 42.059 -0.509 0.000 1.106 2230 L HN 0.149 nan 8.230 nan 0.000 0.467 2231 P HA 0.000 nan 4.420 nan 0.000 0.216 2231 P CA 0.000 63.043 63.100 -0.095 0.000 0.800 2231 P CB 0.000 31.664 31.700 -0.059 0.000 0.726