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 1lrn_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATGSVQLPXX XXXXXXGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.696 176.600 0.161 0.000 0.988 2003 K CA 0.000 56.371 56.287 0.140 0.000 0.838 2003 K CB 0.000 32.581 32.500 0.135 0.000 1.064 2004 F N 1.667 121.640 119.950 0.039 0.000 2.578 2004 F HA 0.253 4.781 4.527 0.001 0.000 0.376 2004 F C -0.302 175.472 175.800 -0.044 0.000 1.085 2004 F CA -0.301 57.706 58.000 0.011 0.000 1.260 2004 F CB 0.551 39.551 39.000 -0.000 0.000 1.095 2004 F HN 0.426 nan 8.300 nan 0.000 0.573 2005 L N 6.215 127.045 121.223 -0.655 0.000 2.325 2005 L HA 0.569 4.910 4.340 0.001 0.000 0.279 2005 L C -1.100 175.372 176.870 -0.663 0.000 1.054 2005 L CA -0.453 54.080 54.840 -0.511 0.000 0.804 2005 L CB 1.689 43.525 42.059 -0.373 0.000 1.200 2005 L HN 0.398 nan 8.230 nan 0.000 0.436 2006 V N 6.235 125.841 119.914 -0.512 0.000 2.445 2006 V HA 0.390 4.511 4.120 0.001 0.000 0.283 2006 V C -0.264 175.612 176.094 -0.362 0.000 1.014 2006 V CA -0.405 61.601 62.300 -0.489 0.000 0.852 2006 V CB 1.335 32.703 31.823 -0.759 0.000 1.021 2006 V HN 0.520 nan 8.190 nan 0.000 0.435 2007 I N 4.517 124.906 120.570 -0.302 0.000 2.304 2007 I HA 0.795 4.965 4.170 0.001 0.000 0.291 2007 I C 0.418 176.259 176.117 -0.459 0.000 1.018 2007 I CA 0.015 61.125 61.300 -0.317 0.000 1.260 2007 I CB 1.373 39.215 38.000 -0.264 0.000 1.390 2007 I HN 0.668 nan 8.210 nan 0.000 0.475 2008 A N 4.635 127.219 122.820 -0.393 0.000 2.594 2008 A HA 1.015 5.336 4.320 0.001 0.000 0.291 2008 A C -0.406 176.859 177.584 -0.533 0.000 1.105 2008 A CA -0.270 51.508 52.037 -0.432 0.000 0.694 2008 A CB 1.997 20.861 19.000 -0.226 0.000 1.291 2008 A HN 0.911 nan 8.150 nan 0.000 0.410 2009 G N -0.441 108.049 108.800 -0.516 0.000 2.352 2009 G HA2 0.496 4.457 3.960 0.001 0.000 0.302 2009 G HA3 0.496 4.457 3.960 0.001 0.000 0.302 2009 G C -3.571 171.112 174.900 -0.362 0.000 1.370 2009 G CA -0.209 44.501 45.100 -0.651 0.000 0.918 2009 G HN 0.734 nan 8.290 nan 0.000 0.610 2010 P HA 0.229 nan 4.420 nan 0.000 0.275 2010 P C 1.351 178.635 177.300 -0.027 0.000 1.227 2010 P CA 0.023 63.097 63.100 -0.044 0.000 0.781 2010 P CB 1.635 33.352 31.700 0.027 0.000 0.906 2011 C N 3.275 122.596 119.300 0.035 0.000 2.367 2011 C HA -0.039 4.421 4.460 0.001 0.000 0.276 2011 C C 1.310 176.352 174.990 0.088 0.000 1.195 2011 C CA 1.772 60.817 59.018 0.046 0.000 1.756 2011 C CB -1.385 26.396 27.740 0.069 0.000 2.046 2011 C HN 0.701 nan 8.230 nan 0.000 0.453 2012 A N -0.527 122.395 122.820 0.169 0.000 2.355 2012 A HA 0.698 5.019 4.320 0.001 0.000 0.324 2012 A C -0.345 177.417 177.584 0.297 0.000 1.117 2012 A CA -0.581 51.611 52.037 0.257 0.000 0.785 2012 A CB 0.433 19.696 19.000 0.438 0.000 1.254 2012 A HN 0.471 nan 8.150 nan 0.000 0.453 2013 I N 2.519 123.290 120.570 0.335 0.000 2.352 2013 I HA 0.013 4.184 4.170 0.001 0.000 0.303 2013 I C 0.814 177.186 176.117 0.425 0.000 1.194 2013 I CA 0.264 61.773 61.300 0.350 0.000 1.518 2013 I CB -0.110 38.119 38.000 0.381 0.000 1.489 2013 I HN 0.834 nan 8.210 nan 0.000 0.702 2014 E N 3.344 123.735 120.200 0.318 0.000 2.338 2014 E HA -0.062 4.289 4.350 0.001 0.000 0.197 2014 E C 0.323 177.004 176.600 0.134 0.000 1.007 2014 E CA 0.359 56.907 56.400 0.247 0.000 0.849 2014 E CB 0.067 29.807 29.700 0.067 0.000 0.774 2014 E HN 0.720 nan 8.360 nan 0.000 0.506 2015 S N -0.694 115.083 115.700 0.129 0.000 2.751 2015 S HA -0.020 4.451 4.470 0.001 0.000 0.289 2015 S C 0.198 174.896 174.600 0.164 0.000 0.965 2015 S CA -0.678 57.589 58.200 0.112 0.000 0.855 2015 S CB 0.646 63.877 63.200 0.051 0.000 1.068 2015 S HN 0.226 nan 8.310 nan 0.000 0.462 2016 E N 0.850 121.138 120.200 0.147 0.000 2.409 2016 E HA -0.135 4.216 4.350 0.001 0.000 0.198 2016 E C 1.329 177.948 176.600 0.032 0.000 1.024 2016 E CA 1.023 57.441 56.400 0.030 0.000 0.861 2016 E CB -0.115 29.516 29.700 -0.114 0.000 0.788 2016 E HN 0.763 nan 8.360 nan 0.000 0.521 2017 E N 1.017 121.246 120.200 0.047 0.000 2.028 2017 E HA -0.222 4.129 4.350 0.001 0.000 0.191 2017 E C 2.144 178.762 176.600 0.030 0.000 0.988 2017 E CA 1.137 57.556 56.400 0.033 0.000 0.799 2017 E CB -0.099 29.622 29.700 0.034 0.000 0.755 2017 E HN 0.371 nan 8.360 nan 0.000 0.447 2018 L N 1.188 122.430 121.223 0.033 0.000 2.012 2018 L HA -0.171 4.169 4.340 0.001 0.000 0.210 2018 L C 2.266 179.161 176.870 0.043 0.000 1.073 2018 L CA 1.584 56.426 54.840 0.004 0.000 0.748 2018 L CB -0.482 41.569 42.059 -0.013 0.000 0.891 2018 L HN 0.246 nan 8.230 nan 0.000 0.431 2019 L N -1.052 120.232 121.223 0.103 0.000 2.042 2019 L HA -0.264 4.077 4.340 0.001 0.000 0.210 2019 L C 2.583 179.467 176.870 0.022 0.000 1.076 2019 L CA 1.528 56.470 54.840 0.169 0.000 0.749 2019 L CB -0.640 41.512 42.059 0.155 0.000 0.893 2019 L HN 0.365 nan 8.230 nan 0.000 0.432 2020 L N -0.334 120.907 121.223 0.030 0.000 2.093 2020 L HA -0.222 4.118 4.340 0.001 0.000 0.208 2020 L C 2.699 179.604 176.870 0.059 0.000 1.085 2020 L CA 1.236 56.135 54.840 0.099 0.000 0.755 2020 L CB -0.481 41.637 42.059 0.099 0.000 0.904 2020 L HN 0.269 nan 8.230 nan 0.000 0.435 2021 K N 0.315 120.727 120.400 0.019 0.000 2.002 2021 K HA -0.150 4.170 4.320 0.001 0.000 0.209 2021 K C 2.017 178.582 176.600 -0.058 0.000 1.048 2021 K CA 1.526 57.803 56.287 -0.016 0.000 0.930 2021 K CB -0.009 32.478 32.500 -0.022 0.000 0.714 2021 K HN 0.049 nan 8.250 nan 0.000 0.438 2022 V N 0.871 120.777 119.914 -0.013 0.000 2.407 2022 V HA -0.173 3.948 4.120 0.001 0.000 0.248 2022 V C 2.419 178.520 176.094 0.012 0.000 1.055 2022 V CA 2.092 64.414 62.300 0.037 0.000 1.049 2022 V CB -0.936 30.976 31.823 0.148 0.000 0.662 2022 V HN 0.631 nan 8.190 nan 0.000 0.455 2023 G N -0.775 107.952 108.800 -0.122 0.000 2.432 2023 G HA2 -0.282 3.679 3.960 0.001 0.000 0.219 2023 G HA3 -0.282 3.679 3.960 0.001 0.000 0.219 2023 G C 1.522 175.815 174.900 -1.011 0.000 1.135 2023 G CA 0.915 45.696 45.100 -0.531 0.000 0.767 2023 G HN 0.587 nan 8.290 nan 0.000 0.550 2024 E N 0.156 119.832 120.200 -0.874 0.000 2.072 2024 E HA -0.156 4.194 4.350 0.001 0.000 0.191 2024 E C 2.292 178.640 176.600 -0.419 0.000 0.985 2024 E CA 1.282 57.216 56.400 -0.777 0.000 0.801 2024 E CB -0.073 29.471 29.700 -0.260 0.000 0.750 2024 E HN 0.413 nan 8.360 nan 0.000 0.452 2025 E N 0.807 120.854 120.200 -0.254 0.000 2.106 2025 E HA -0.132 4.219 4.350 0.001 0.000 0.192 2025 E C 1.905 178.412 176.600 -0.156 0.000 0.984 2025 E CA 1.155 57.466 56.400 -0.148 0.000 0.806 2025 E CB -0.245 29.408 29.700 -0.078 0.000 0.750 2025 E HN 0.385 nan 8.360 nan 0.000 0.458 2026 I N 0.215 120.689 120.570 -0.159 0.000 2.394 2026 I HA -0.200 3.971 4.170 0.001 0.000 0.251 2026 I C 2.192 178.134 176.117 -0.293 0.000 1.136 2026 I CA 0.948 62.170 61.300 -0.130 0.000 1.425 2026 I CB -0.219 37.818 38.000 0.061 0.000 1.079 2026 I HN 0.077 nan 8.210 nan 0.000 0.425 2027 K N 1.604 121.801 120.400 -0.339 0.000 2.025 2027 K HA -0.186 4.134 4.320 0.001 0.000 0.207 2027 K C 2.187 178.639 176.600 -0.246 0.000 1.049 2027 K CA 1.513 57.625 56.287 -0.292 0.000 0.933 2027 K CB -0.325 31.976 32.500 -0.333 0.000 0.714 2027 K HN 0.057 nan 8.250 nan 0.000 0.438 2028 R N -0.201 120.169 120.500 -0.216 0.000 2.080 2028 R HA -0.115 4.226 4.340 0.001 0.000 0.236 2028 R C 1.943 178.138 176.300 -0.175 0.000 1.137 2028 R CA 1.642 57.649 56.100 -0.154 0.000 0.943 2028 R CB -0.347 29.886 30.300 -0.112 0.000 0.846 2028 R HN 0.160 nan 8.270 nan 0.000 0.431 2029 L N 0.558 121.663 121.223 -0.197 0.000 2.083 2029 L HA -0.145 4.195 4.340 0.001 0.000 0.209 2029 L C 2.525 179.142 176.870 -0.422 0.000 1.083 2029 L CA 1.732 56.501 54.840 -0.118 0.000 0.752 2029 L CB -1.532 40.504 42.059 -0.039 0.000 0.899 2029 L HN 0.284 nan 8.230 nan 0.000 0.433 2030 S N -0.666 114.536 115.700 -0.831 0.000 2.383 2030 S HA -0.184 4.286 4.470 0.001 0.000 0.229 2030 S C 1.799 176.267 174.600 -0.221 0.000 1.030 2030 S CA 1.260 59.015 58.200 -0.743 0.000 1.002 2030 S CB 0.050 62.974 63.200 -0.459 0.000 0.829 2030 S HN 0.418 nan 8.310 nan 0.000 0.467 2031 E N 0.705 120.799 120.200 -0.178 0.000 2.216 2031 E HA -0.007 4.343 4.350 0.001 0.000 0.192 2031 E C 1.957 178.486 176.600 -0.119 0.000 0.988 2031 E CA 0.638 56.978 56.400 -0.100 0.000 0.834 2031 E CB -0.212 29.434 29.700 -0.088 0.000 0.772 2031 E HN 0.607 nan 8.360 nan 0.000 0.479 2032 K N -0.281 120.004 120.400 -0.192 0.000 2.186 2032 K HA 0.003 4.324 4.320 0.001 0.000 0.202 2032 K C 0.030 176.321 176.600 -0.514 0.000 1.052 2032 K CA 0.449 56.506 56.287 -0.384 0.000 0.965 2032 K CB 0.207 32.381 32.500 -0.543 0.000 0.746 2032 K HN -0.074 nan 8.250 nan 0.000 0.457 2033 F N 1.543 121.536 119.950 0.072 0.000 2.389 2033 F HA 0.309 4.837 4.527 0.001 0.000 0.327 2033 F C 0.569 176.500 175.800 0.218 0.000 1.204 2033 F CA -0.858 57.256 58.000 0.190 0.000 1.209 2033 F CB 1.246 40.465 39.000 0.365 0.000 1.460 2033 F HN -0.245 nan 8.300 nan 0.000 0.537 2034 K N 0.995 121.523 120.400 0.213 0.000 2.281 2034 K HA -0.164 4.157 4.320 0.001 0.000 0.203 2034 K C 1.853 178.574 176.600 0.201 0.000 1.046 2034 K CA 0.997 57.389 56.287 0.175 0.000 0.938 2034 K CB 0.031 32.585 32.500 0.090 0.000 0.737 2034 K HN 0.565 nan 8.250 nan 0.000 0.458 2035 E N 0.513 120.848 120.200 0.225 0.000 2.442 2035 E HA -0.021 4.329 4.350 0.001 0.000 0.195 2035 E C 0.346 177.077 176.600 0.220 0.000 1.030 2035 E CA 0.127 56.642 56.400 0.191 0.000 0.869 2035 E CB -0.049 29.747 29.700 0.160 0.000 0.857 2035 E HN -0.137 nan 8.360 nan 0.000 0.505 2036 V N 2.029 122.121 119.914 0.296 0.000 2.481 2036 V HA 0.158 4.279 4.120 0.001 0.000 0.286 2036 V C 0.107 176.342 176.094 0.234 0.000 1.042 2036 V CA -0.629 61.804 62.300 0.221 0.000 0.928 2036 V CB 1.479 33.364 31.823 0.104 0.000 0.986 2036 V HN 0.167 nan 8.190 nan 0.000 0.462 2037 E N 3.729 123.979 120.200 0.084 0.000 2.044 2037 E HA 0.338 4.689 4.350 0.001 0.000 0.282 2037 E C -1.331 175.278 176.600 0.014 0.000 1.031 2037 E CA -0.475 55.993 56.400 0.114 0.000 0.824 2037 E CB 0.472 30.209 29.700 0.062 0.000 1.076 2037 E HN 0.487 nan 8.360 nan 0.000 0.395 2038 F N 2.919 122.893 119.950 0.039 0.000 2.375 2038 F HA 0.323 4.850 4.527 0.001 0.000 0.333 2038 F C 0.086 175.893 175.800 0.010 0.000 1.104 2038 F CA -0.577 57.433 58.000 0.016 0.000 1.149 2038 F CB 1.454 40.479 39.000 0.042 0.000 1.190 2038 F HN 0.123 nan 8.300 nan 0.000 0.533 2039 V N 4.084 124.070 119.914 0.120 0.000 2.569 2039 V HA 0.215 4.336 4.120 0.001 0.000 0.301 2039 V C -0.810 175.326 176.094 0.070 0.000 1.044 2039 V CA -1.017 61.329 62.300 0.077 0.000 0.874 2039 V CB 1.587 33.390 31.823 -0.035 0.000 1.002 2039 V HN 0.536 nan 8.190 nan 0.000 0.424 2040 F N 5.767 125.723 119.950 0.009 0.000 2.467 2040 F HA 0.521 5.049 4.527 0.001 0.000 0.362 2040 F C 0.291 176.070 175.800 -0.036 0.000 1.090 2040 F CA 0.350 58.342 58.000 -0.014 0.000 1.202 2040 F CB 0.499 39.507 39.000 0.013 0.000 1.113 2040 F HN 0.398 nan 8.300 nan 0.000 0.541 2041 K N 4.405 124.385 120.400 -0.700 0.000 2.318 2041 K HA 0.655 4.975 4.320 0.001 0.000 0.249 2041 K C -1.586 174.719 176.600 -0.492 0.000 0.942 2041 K CA -0.503 55.520 56.287 -0.439 0.000 0.808 2041 K CB 1.890 34.135 32.500 -0.425 0.000 1.189 2041 K HN 0.692 nan 8.250 nan 0.000 0.428 2042 S N 0.847 116.454 115.700 -0.155 0.000 2.606 2042 S HA 0.290 4.760 4.470 0.001 0.000 0.290 2042 S C -1.795 172.845 174.600 0.066 0.000 1.103 2042 S CA -0.551 57.627 58.200 -0.037 0.000 0.870 2042 S CB 0.936 64.177 63.200 0.069 0.000 1.077 2042 S HN 0.511 nan 8.310 nan 0.000 0.448 2043 S N 2.775 118.506 115.700 0.053 0.000 2.508 2043 S HA 0.463 4.934 4.470 0.001 0.000 0.284 2043 S C 0.607 175.247 174.600 0.068 0.000 1.192 2043 S CA -0.593 57.595 58.200 -0.020 0.000 1.070 2043 S CB 0.456 63.614 63.200 -0.069 0.000 1.004 2043 S HN 0.672 nan 8.310 nan 0.000 0.493 2044 F N 0.221 120.265 119.950 0.157 0.000 2.789 2044 F HA 0.512 5.040 4.527 0.001 0.000 0.300 2044 F C 0.319 176.167 175.800 0.080 0.000 1.132 2044 F CA -0.539 57.556 58.000 0.158 0.000 1.404 2044 F CB -0.012 39.082 39.000 0.157 0.000 1.114 2044 F HN 0.455 nan 8.300 nan 0.000 0.584 2045 D N 0.340 120.573 120.400 -0.278 0.000 2.795 2045 D HA 0.181 4.822 4.640 0.001 0.000 0.206 2045 D C -1.469 174.610 176.300 -0.367 0.000 1.278 2045 D CA -0.549 53.276 54.000 -0.292 0.000 0.839 2045 D CB 1.140 41.791 40.800 -0.249 0.000 1.700 2045 D HN -0.167 nan 8.370 nan 0.000 0.549 2046 K N 3.103 123.340 120.400 -0.271 0.000 2.184 2046 K HA 0.510 4.831 4.320 0.001 0.000 0.259 2046 K C 0.565 177.037 176.600 -0.214 0.000 1.119 2046 K CA -0.264 55.917 56.287 -0.176 0.000 0.991 2046 K CB 0.747 33.191 32.500 -0.094 0.000 1.522 2046 K HN 0.462 nan 8.250 nan 0.000 0.405 2047 A N 2.577 125.202 122.820 -0.325 0.000 2.235 2047 A HA -0.095 4.225 4.320 0.001 0.000 0.208 2047 A C 1.007 178.556 177.584 -0.059 0.000 1.172 2047 A CA 0.643 52.520 52.037 -0.266 0.000 0.786 2047 A CB -0.593 18.103 19.000 -0.506 0.000 0.804 2047 A HN 0.807 nan 8.150 nan 0.000 0.479 2048 N N -1.427 117.279 118.700 0.009 0.000 2.365 2048 N HA 0.122 4.863 4.740 0.001 0.000 0.257 2048 N C -0.378 175.192 175.510 0.100 0.000 1.287 2048 N CA -0.746 52.370 53.050 0.109 0.000 0.882 2048 N CB 0.473 39.109 38.487 0.248 0.000 1.250 2048 N HN -0.064 nan 8.380 nan 0.000 0.507 2049 R N 0.811 121.332 120.500 0.035 0.000 2.623 2049 R HA 0.083 4.424 4.340 0.001 0.000 0.271 2049 R C 0.945 177.270 176.300 0.041 0.000 1.043 2049 R CA 0.087 56.210 56.100 0.038 0.000 1.083 2049 R CB 0.616 30.923 30.300 0.012 0.000 0.974 2049 R HN 0.210 nan 8.270 nan 0.000 0.436 2050 S N 0.637 116.367 115.700 0.051 0.000 2.368 2050 S HA -0.106 4.365 4.470 0.001 0.000 0.225 2050 S C 1.052 175.653 174.600 0.003 0.000 1.030 2050 S CA 1.093 59.313 58.200 0.034 0.000 0.999 2050 S CB 0.029 63.254 63.200 0.042 0.000 0.844 2050 S HN 0.643 nan 8.310 nan 0.000 0.459 2051 S N 0.213 115.916 115.700 0.004 0.000 2.508 2051 S HA 0.363 4.833 4.470 0.001 0.000 0.284 2051 S C 0.692 175.253 174.600 -0.065 0.000 1.192 2051 S CA -0.704 57.482 58.200 -0.024 0.000 1.070 2051 S CB 0.905 64.118 63.200 0.023 0.000 1.004 2051 S HN 0.182 nan 8.310 nan 0.000 0.493 2052 I N 4.360 124.826 120.570 -0.172 0.000 2.756 2052 I HA 0.011 4.182 4.170 0.001 0.000 0.262 2052 I C 1.091 177.084 176.117 -0.206 0.000 1.225 2052 I CA 1.657 62.821 61.300 -0.225 0.000 1.472 2052 I CB -0.361 37.440 38.000 -0.333 0.000 1.094 2052 I HN 0.833 nan 8.210 nan 0.000 0.454 2053 H N -1.090 117.985 119.070 0.008 0.000 2.519 2053 H HA 0.351 4.908 4.556 0.001 0.000 0.289 2053 H C 0.704 176.050 175.328 0.031 0.000 1.040 2053 H CA -0.348 55.709 56.048 0.015 0.000 1.165 2053 H CB 0.176 29.946 29.762 0.014 0.000 1.462 2053 H HN 0.157 nan 8.280 nan 0.000 0.555 2054 S N 0.308 116.075 115.700 0.112 0.000 2.713 2054 S HA 0.168 4.638 4.470 0.001 0.000 0.283 2054 S C -0.466 174.208 174.600 0.124 0.000 1.161 2054 S CA -0.820 57.450 58.200 0.117 0.000 0.999 2054 S CB 1.005 64.258 63.200 0.088 0.000 1.039 2054 S HN 0.267 nan 8.310 nan 0.000 0.548 2055 F N 2.005 121.961 119.950 0.009 0.000 2.543 2055 F HA 0.238 4.766 4.527 0.001 0.000 0.375 2055 F C 1.247 177.039 175.800 -0.013 0.000 1.075 2055 F CA 0.165 58.160 58.000 -0.007 0.000 1.225 2055 F CB 0.373 39.374 39.000 0.002 0.000 1.099 2055 F HN 0.547 nan 8.300 nan 0.000 0.561 2056 R N 3.304 123.347 120.500 -0.762 0.000 2.142 2056 R HA 0.460 4.800 4.340 0.001 0.000 0.204 2056 R C 0.663 176.386 176.300 -0.962 0.000 1.059 2056 R CA 0.261 55.974 56.100 -0.645 0.000 1.055 2056 R CB 0.160 30.246 30.300 -0.356 0.000 0.976 2056 R HN 0.905 nan 8.270 nan 0.000 0.483 2057 G N -0.769 107.203 108.800 -1.380 0.000 2.350 2057 G HA2 -0.081 3.879 3.960 0.001 0.000 0.282 2057 G HA3 -0.081 3.879 3.960 0.001 0.000 0.282 2057 G C -1.079 173.586 174.900 -0.393 0.000 1.314 2057 G CA -0.793 43.831 45.100 -0.793 0.000 0.915 2057 G HN 0.260 nan 8.290 nan 0.000 0.499 2058 H N 0.159 119.207 119.070 -0.037 0.000 2.594 2058 H HA 0.523 5.080 4.556 0.001 0.000 0.279 2058 H C 1.127 176.477 175.328 0.037 0.000 1.042 2058 H CA 1.112 57.109 56.048 -0.085 0.000 1.177 2058 H CB 0.800 30.297 29.762 -0.443 0.000 1.524 2058 H HN 1.796 nan 8.280 nan 0.000 0.537 2059 G N 0.025 108.951 108.800 0.210 0.000 2.570 2059 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 2059 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 2059 G C 0.155 175.205 174.900 0.249 0.000 1.257 2059 G CA -0.296 44.940 45.100 0.226 0.000 0.846 2059 G HN 0.182 nan 8.290 nan 0.000 0.627 2060 L N 0.308 121.582 121.223 0.085 0.000 2.056 2060 L HA 0.142 4.483 4.340 0.001 0.000 0.207 2060 L C 2.431 179.187 176.870 -0.190 0.000 1.078 2060 L CA 3.036 57.643 54.840 -0.388 0.000 0.749 2060 L CB -0.704 41.087 42.059 -0.447 0.000 0.901 2060 L HN 0.809 nan 8.230 nan 0.000 0.433 2061 E N -1.566 118.635 120.200 0.000 0.000 2.028 2061 E HA -0.287 4.063 4.350 0.001 0.000 0.191 2061 E C 2.140 178.785 176.600 0.076 0.000 0.988 2061 E CA 1.611 58.030 56.400 0.031 0.000 0.799 2061 E CB -0.371 29.372 29.700 0.071 0.000 0.755 2061 E HN 0.620 nan 8.360 nan 0.000 0.447 2062 Y N 0.721 121.048 120.300 0.044 0.000 2.274 2062 Y HA -0.172 4.378 4.550 0.001 0.000 0.290 2062 Y C 2.068 178.010 175.900 0.071 0.000 1.145 2062 Y CA 1.718 59.858 58.100 0.066 0.000 1.203 2062 Y CB -0.375 38.158 38.460 0.122 0.000 0.984 2062 Y HN 0.024 nan 8.280 nan 0.000 0.533 2063 G N -0.638 108.333 108.800 0.284 0.000 2.414 2063 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 2063 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 2063 G C 1.646 176.602 174.900 0.093 0.000 1.188 2063 G CA 1.200 46.457 45.100 0.261 0.000 0.783 2063 G HN 0.318 nan 8.290 nan 0.000 0.537 2064 V N 1.130 121.036 119.914 -0.014 0.000 2.469 2064 V HA -0.183 3.938 4.120 0.001 0.000 0.251 2064 V C 2.674 178.745 176.094 -0.039 0.000 1.064 2064 V CA 2.279 64.560 62.300 -0.033 0.000 1.066 2064 V CB -0.380 31.392 31.823 -0.086 0.000 0.667 2064 V HN 0.481 nan 8.190 nan 0.000 0.461 2065 K N 0.497 120.849 120.400 -0.080 0.000 2.025 2065 K HA -0.164 4.157 4.320 0.001 0.000 0.207 2065 K C 2.235 178.745 176.600 -0.150 0.000 1.049 2065 K CA 1.588 57.799 56.287 -0.127 0.000 0.933 2065 K CB -0.360 32.028 32.500 -0.188 0.000 0.714 2065 K HN 0.391 nan 8.250 nan 0.000 0.438 2066 A N 1.518 124.221 122.820 -0.196 0.000 1.908 2066 A HA -0.132 4.188 4.320 0.001 0.000 0.218 2066 A C 2.168 179.720 177.584 -0.052 0.000 1.181 2066 A CA 1.428 53.373 52.037 -0.153 0.000 0.627 2066 A CB -0.660 18.271 19.000 -0.115 0.000 0.818 2066 A HN 0.357 nan 8.150 nan 0.000 0.445 2067 L N -1.506 119.726 121.223 0.016 0.000 2.093 2067 L HA -0.133 4.207 4.340 0.001 0.000 0.208 2067 L C 2.792 179.660 176.870 -0.002 0.000 1.085 2067 L CA 1.383 56.255 54.840 0.054 0.000 0.755 2067 L CB -0.418 41.720 42.059 0.132 0.000 0.904 2067 L HN 0.402 nan 8.230 nan 0.000 0.435 2068 R N 0.507 120.993 120.500 -0.024 0.000 2.081 2068 R HA -0.227 4.114 4.340 0.001 0.000 0.235 2068 R C 2.337 178.596 176.300 -0.068 0.000 1.131 2068 R CA 1.596 57.674 56.100 -0.038 0.000 0.960 2068 R CB -0.031 30.241 30.300 -0.046 0.000 0.856 2068 R HN 0.023 nan 8.270 nan 0.000 0.436 2069 K N 0.026 120.370 120.400 -0.093 0.000 2.147 2069 K HA -0.074 4.247 4.320 0.001 0.000 0.205 2069 K C 1.646 178.156 176.600 -0.150 0.000 1.049 2069 K CA 1.320 57.532 56.287 -0.126 0.000 0.936 2069 K CB -0.162 32.260 32.500 -0.130 0.000 0.722 2069 K HN 0.037 nan 8.250 nan 0.000 0.446 2070 V N 0.996 120.837 119.914 -0.123 0.000 2.379 2070 V HA -0.157 3.964 4.120 0.001 0.000 0.245 2070 V C 2.431 178.498 176.094 -0.045 0.000 1.044 2070 V CA 1.999 64.234 62.300 -0.107 0.000 1.036 2070 V CB -0.467 31.139 31.823 -0.361 0.000 0.664 2070 V HN 0.437 nan 8.190 nan 0.000 0.453 2071 K N 0.208 120.581 120.400 -0.046 0.000 2.148 2071 K HA -0.197 4.124 4.320 0.001 0.000 0.204 2071 K C 1.972 178.549 176.600 -0.039 0.000 1.050 2071 K CA 1.738 58.021 56.287 -0.007 0.000 0.942 2071 K CB -0.035 32.471 32.500 0.009 0.000 0.724 2071 K HN 0.592 nan 8.250 nan 0.000 0.446 2072 E N 0.041 120.188 120.200 -0.088 0.000 2.170 2072 E HA -0.133 4.218 4.350 0.001 0.000 0.191 2072 E C 1.623 178.106 176.600 -0.195 0.000 0.981 2072 E CA 0.692 57.024 56.400 -0.113 0.000 0.830 2072 E CB 0.182 29.817 29.700 -0.107 0.000 0.775 2072 E HN 0.383 nan 8.360 nan 0.000 0.470 2073 E N -0.692 119.309 120.200 -0.333 0.000 2.442 2073 E HA -0.037 4.313 4.350 0.001 0.000 0.195 2073 E C 0.372 176.445 176.600 -0.877 0.000 1.030 2073 E CA 0.444 56.459 56.400 -0.641 0.000 0.869 2073 E CB 0.366 29.535 29.700 -0.886 0.000 0.857 2073 E HN 0.156 nan 8.360 nan 0.000 0.505 2074 F N -1.663 118.232 119.950 -0.091 0.000 2.925 2074 F HA 0.330 4.857 4.527 0.001 0.000 0.359 2074 F C 1.174 176.940 175.800 -0.057 0.000 1.038 2074 F CA 0.260 58.210 58.000 -0.083 0.000 1.130 2074 F CB 1.152 40.084 39.000 -0.114 0.000 1.093 2074 F HN 0.023 nan 8.300 nan 0.000 0.561 2075 G N 1.945 110.794 108.800 0.082 0.000 2.198 2075 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 2075 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 2075 G C -0.034 174.916 174.900 0.084 0.000 1.025 2075 G CA 0.079 45.215 45.100 0.060 0.000 0.769 2075 G HN 0.287 nan 8.290 nan 0.000 0.507 2076 L N -0.165 121.123 121.223 0.107 0.000 2.334 2076 L HA 0.421 4.761 4.340 0.001 0.000 0.277 2076 L C 1.176 178.116 176.870 0.116 0.000 1.075 2076 L CA -0.834 54.077 54.840 0.117 0.000 0.804 2076 L CB 1.023 43.158 42.059 0.126 0.000 1.174 2076 L HN 0.043 nan 8.230 nan 0.000 0.438 2077 K N 2.466 122.941 120.400 0.124 0.000 2.276 2077 K HA 0.348 4.668 4.320 0.001 0.000 0.259 2077 K C -0.579 176.104 176.600 0.138 0.000 1.001 2077 K CA -0.259 56.093 56.287 0.109 0.000 0.927 2077 K CB 0.737 33.293 32.500 0.093 0.000 0.969 2077 K HN 0.305 nan 8.250 nan 0.000 0.490 2078 I N 0.607 121.247 120.570 0.118 0.000 2.785 2078 I HA 0.296 4.467 4.170 0.001 0.000 0.302 2078 I C 0.001 176.177 176.117 0.099 0.000 1.069 2078 I CA -0.396 60.992 61.300 0.147 0.000 1.045 2078 I CB 1.921 40.007 38.000 0.145 0.000 1.236 2078 I HN 0.576 nan 8.210 nan 0.000 0.429 2079 T N 2.561 117.173 114.554 0.097 0.000 3.041 2079 T HA 0.596 4.946 4.350 0.001 0.000 0.321 2079 T C -1.060 173.682 174.700 0.069 0.000 1.184 2079 T CA -0.198 61.937 62.100 0.057 0.000 1.050 2079 T CB 1.543 70.416 68.868 0.008 0.000 1.159 2079 T HN 0.856 nan 8.240 nan 0.000 0.469 2080 T N 2.306 116.907 114.554 0.077 0.000 2.821 2080 T HA 0.593 4.944 4.350 0.001 0.000 0.306 2080 T C -2.007 172.704 174.700 0.019 0.000 1.313 2080 T CA -0.688 61.462 62.100 0.084 0.000 1.012 2080 T CB 1.517 70.519 68.868 0.223 0.000 1.298 2080 T HN 0.795 nan 8.240 nan 0.000 0.502 2081 D N 2.285 122.630 120.400 -0.092 0.000 2.181 2081 D HA 0.517 5.158 4.640 0.001 0.000 0.248 2081 D C 0.271 176.323 176.300 -0.414 0.000 1.020 2081 D CA -0.679 53.176 54.000 -0.242 0.000 0.891 2081 D CB 0.993 41.611 40.800 -0.303 0.000 1.187 2081 D HN 0.774 nan 8.370 nan 0.000 0.443 2082 I N -2.084 118.244 120.570 -0.403 0.000 2.707 2082 I HA 0.489 4.660 4.170 0.001 0.000 0.309 2082 I C -0.368 175.353 176.117 -0.659 0.000 1.001 2082 I CA -0.908 60.175 61.300 -0.362 0.000 1.129 2082 I CB 1.743 39.657 38.000 -0.144 0.000 1.308 2082 I HN 0.299 nan 8.210 nan 0.000 0.466 2083 H N 0.723 119.738 119.070 -0.091 0.000 3.255 2083 H HA 0.453 5.010 4.556 0.001 0.000 0.256 2083 H C -0.537 174.768 175.328 -0.039 0.000 1.049 2083 H CA -0.188 55.824 56.048 -0.060 0.000 1.202 2083 H CB 0.677 30.410 29.762 -0.048 0.000 1.497 2083 H HN 0.609 nan 8.280 nan 0.000 0.503 2084 E N -0.504 119.681 120.200 -0.024 0.000 2.383 2084 E HA 0.289 4.640 4.350 0.001 0.000 0.275 2084 E C 0.093 176.606 176.600 -0.145 0.000 0.918 2084 E CA -0.323 56.067 56.400 -0.017 0.000 0.764 2084 E CB 2.475 32.257 29.700 0.137 0.000 1.252 2084 E HN -0.049 nan 8.360 nan 0.000 0.449 2085 S N 1.347 117.054 115.700 0.011 0.000 2.380 2085 S HA -0.184 4.286 4.470 0.001 0.000 0.229 2085 S C 1.565 176.186 174.600 0.036 0.000 1.043 2085 S CA 1.881 60.101 58.200 0.033 0.000 1.038 2085 S CB -0.281 62.982 63.200 0.105 0.000 0.872 2085 S HN 0.735 nan 8.310 nan 0.000 0.456 2086 W N 1.889 123.226 121.300 0.061 0.000 2.468 2086 W HA -0.082 4.579 4.660 0.001 0.000 0.262 2086 W C 1.143 177.696 176.519 0.057 0.000 1.241 2086 W CA 0.731 58.107 57.345 0.052 0.000 1.232 2086 W CB -0.808 28.680 29.460 0.047 0.000 1.124 2086 W HN 0.424 nan 8.180 nan 0.000 0.597 2087 Q N 0.823 120.202 119.800 -0.701 0.000 2.389 2087 Q HA 0.039 4.380 4.340 0.001 0.000 0.204 2087 Q C 2.667 178.533 176.000 -0.223 0.000 0.944 2087 Q CA 1.064 56.469 55.803 -0.664 0.000 0.908 2087 Q CB -0.261 28.012 28.738 -0.776 0.000 1.002 2087 Q HN 0.298 nan 8.270 nan 0.000 0.493 2088 A N 2.038 124.784 122.820 -0.124 0.000 1.873 2088 A HA -0.307 4.014 4.320 0.001 0.000 0.218 2088 A C 2.007 179.585 177.584 -0.011 0.000 1.193 2088 A CA 1.872 53.883 52.037 -0.044 0.000 0.629 2088 A CB -0.588 18.403 19.000 -0.014 0.000 0.826 2088 A HN 0.456 nan 8.150 nan 0.000 0.447 2089 E N -0.364 119.845 120.200 0.015 0.000 2.023 2089 E HA -0.162 4.189 4.350 0.001 0.000 0.196 2089 E C -0.468 176.145 176.600 0.021 0.000 1.003 2089 E CA 1.490 57.908 56.400 0.031 0.000 0.809 2089 E CB -0.668 29.067 29.700 0.057 0.000 0.755 2089 E HN 0.499 nan 8.360 nan 0.000 0.449 2090 P HA -0.120 nan 4.420 nan 0.000 0.218 2090 P C 1.679 178.960 177.300 -0.031 0.000 1.149 2090 P CA 0.984 64.087 63.100 0.005 0.000 0.817 2090 P CB 0.005 31.721 31.700 0.026 0.000 0.785 2091 V N 1.012 120.897 119.914 -0.048 0.000 2.427 2091 V HA -0.172 3.949 4.120 0.001 0.000 0.248 2091 V C 2.796 178.897 176.094 0.010 0.000 1.051 2091 V CA 1.967 64.251 62.300 -0.026 0.000 1.048 2091 V CB -1.627 30.204 31.823 0.013 0.000 0.666 2091 V HN 0.096 nan 8.190 nan 0.000 0.456 2092 A N -0.402 122.425 122.820 0.012 0.000 2.131 2092 A HA -0.203 4.118 4.320 0.001 0.000 0.220 2092 A C 2.089 179.685 177.584 0.021 0.000 1.158 2092 A CA 1.445 53.495 52.037 0.022 0.000 0.665 2092 A CB -0.351 18.661 19.000 0.021 0.000 0.795 2092 A HN 0.602 nan 8.150 nan 0.000 0.460 2093 E N -0.324 119.884 120.200 0.013 0.000 2.077 2093 E HA -0.129 4.221 4.350 0.001 0.000 0.193 2093 E C 1.904 178.513 176.600 0.015 0.000 0.989 2093 E CA 1.701 58.108 56.400 0.011 0.000 0.800 2093 E CB -0.296 29.406 29.700 0.003 0.000 0.746 2093 E HN 0.502 nan 8.360 nan 0.000 0.452 2094 V N 0.637 120.563 119.914 0.020 0.000 2.908 2094 V HA 0.175 4.296 4.120 0.001 0.000 0.240 2094 V C 1.026 177.150 176.094 0.050 0.000 1.117 2094 V CA 0.523 62.842 62.300 0.031 0.000 1.133 2094 V CB -0.067 31.775 31.823 0.033 0.000 0.857 2094 V HN 0.097 nan 8.190 nan 0.000 0.478 2095 A N 0.900 123.754 122.820 0.057 0.000 2.491 2095 A HA 0.094 4.415 4.320 0.001 0.000 0.261 2095 A C 0.986 178.603 177.584 0.056 0.000 1.101 2095 A CA 0.136 52.213 52.037 0.067 0.000 0.772 2095 A CB -0.161 18.882 19.000 0.071 0.000 1.043 2095 A HN 0.444 nan 8.150 nan 0.000 0.501 2096 D N 1.635 122.070 120.400 0.060 0.000 2.213 2096 D HA 0.073 4.714 4.640 0.001 0.000 0.205 2096 D C 0.169 176.504 176.300 0.059 0.000 0.961 2096 D CA 1.335 55.370 54.000 0.058 0.000 0.853 2096 D CB 0.264 41.101 40.800 0.061 0.000 0.967 2096 D HN 0.584 nan 8.370 nan 0.000 0.496 2097 I N 1.598 122.197 120.570 0.048 0.000 2.447 2097 I HA 0.267 4.437 4.170 0.001 0.000 0.287 2097 I C -0.401 175.738 176.117 0.035 0.000 1.023 2097 I CA -0.575 60.751 61.300 0.042 0.000 1.083 2097 I CB 2.678 40.669 38.000 -0.014 0.000 1.245 2097 I HN -0.307 nan 8.210 nan 0.000 0.434 2098 I N 5.805 126.398 120.570 0.038 0.000 2.342 2098 I HA 0.209 4.379 4.170 0.001 0.000 0.291 2098 I C 0.149 176.266 176.117 -0.000 0.000 1.010 2098 I CA -0.196 61.116 61.300 0.021 0.000 1.308 2098 I CB 1.293 39.303 38.000 0.017 0.000 1.400 2098 I HN 0.589 nan 8.210 nan 0.000 0.488 2099 Q N 6.519 126.303 119.800 -0.027 0.000 2.241 2099 Q HA 0.424 4.765 4.340 0.001 0.000 0.254 2099 Q C -1.114 174.819 176.000 -0.112 0.000 0.917 2099 Q CA -0.745 55.022 55.803 -0.061 0.000 0.919 2099 Q CB 1.486 30.193 28.738 -0.052 0.000 1.237 2099 Q HN 0.485 nan 8.270 nan 0.000 0.434 2100 I N 6.441 126.946 120.570 -0.109 0.000 2.330 2100 I HA 0.326 4.497 4.170 0.001 0.000 0.289 2100 I C -2.163 173.867 176.117 -0.146 0.000 1.001 2100 I CA -2.505 58.724 61.300 -0.118 0.000 1.193 2100 I CB 0.917 38.877 38.000 -0.067 0.000 1.345 2100 I HN 0.501 nan 8.210 nan 0.000 0.461 2101 P HA 0.011 nan 4.420 nan 0.000 0.266 2101 P C 0.656 177.868 177.300 -0.147 0.000 1.193 2101 P CA 0.190 63.188 63.100 -0.171 0.000 0.770 2101 P CB 0.886 32.514 31.700 -0.120 0.000 0.836 2102 A N 2.499 125.170 122.820 -0.247 0.000 1.883 2102 A HA -0.218 4.103 4.320 0.001 0.000 0.217 2102 A C 1.708 179.293 177.584 0.001 0.000 1.186 2102 A CA 1.741 53.639 52.037 -0.232 0.000 0.624 2102 A CB -1.642 17.136 19.000 -0.370 0.000 0.822 2102 A HN 0.509 nan 8.150 nan 0.000 0.444 2103 F N -0.083 119.912 119.950 0.075 0.000 2.333 2103 F HA -0.030 4.497 4.527 0.001 0.000 0.300 2103 F C 1.671 177.591 175.800 0.200 0.000 1.083 2103 F CA 0.507 58.636 58.000 0.216 0.000 1.395 2103 F CB -0.604 38.474 39.000 0.130 0.000 1.056 2103 F HN 0.109 nan 8.300 nan 0.000 0.529 2104 L N -0.395 120.987 121.223 0.265 0.000 2.667 2104 L HA 0.080 4.421 4.340 0.001 0.000 0.232 2104 L C 1.976 178.917 176.870 0.119 0.000 1.138 2104 L CA 0.005 54.945 54.840 0.167 0.000 0.921 2104 L CB -0.868 41.248 42.059 0.094 0.000 1.180 2104 L HN 0.260 nan 8.230 nan 0.000 0.487 2105 C N -1.125 118.250 119.300 0.125 0.000 2.443 2105 C HA -0.012 4.449 4.460 0.001 0.000 0.290 2105 C C 2.169 177.213 174.990 0.090 0.000 1.476 2105 C CA -0.009 59.044 59.018 0.058 0.000 1.772 2105 C CB -0.854 26.871 27.740 -0.024 0.000 1.714 2105 C HN 0.450 nan 8.230 nan 0.000 0.562 2106 R N -0.081 120.510 120.500 0.153 0.000 2.437 2106 R HA 0.177 4.518 4.340 0.001 0.000 0.257 2106 R C 0.097 176.437 176.300 0.066 0.000 0.927 2106 R CA 0.108 56.276 56.100 0.114 0.000 1.078 2106 R CB -0.116 30.277 30.300 0.155 0.000 1.161 2106 R HN 0.593 nan 8.270 nan 0.000 0.529 2107 Q N 1.298 121.137 119.800 0.065 0.000 2.402 2107 Q HA 0.104 4.444 4.340 0.001 0.000 0.238 2107 Q C 0.798 176.820 176.000 0.037 0.000 1.126 2107 Q CA 0.191 56.022 55.803 0.046 0.000 0.904 2107 Q CB 0.900 29.669 28.738 0.052 0.000 1.357 2107 Q HN 0.032 nan 8.270 nan 0.000 0.491 2108 T N 1.656 116.227 114.554 0.028 0.000 2.624 2108 T HA -0.194 4.156 4.350 0.001 0.000 0.268 2108 T C 0.915 175.639 174.700 0.041 0.000 1.041 2108 T CA 1.833 63.949 62.100 0.026 0.000 1.159 2108 T CB 0.056 68.931 68.868 0.010 0.000 0.863 2108 T HN 0.493 nan 8.240 nan 0.000 0.434 2109 D N 0.672 121.098 120.400 0.043 0.000 2.149 2109 D HA -0.039 4.601 4.640 0.001 0.000 0.198 2109 D C 2.019 178.348 176.300 0.048 0.000 0.990 2109 D CA 0.531 54.563 54.000 0.053 0.000 0.839 2109 D CB -0.424 40.410 40.800 0.057 0.000 0.948 2109 D HN 0.187 nan 8.370 nan 0.000 0.460 2110 L N 0.485 121.731 121.223 0.039 0.000 2.056 2110 L HA -0.063 4.277 4.340 0.001 0.000 0.207 2110 L C 2.181 179.062 176.870 0.018 0.000 1.078 2110 L CA 1.223 56.076 54.840 0.022 0.000 0.749 2110 L CB -0.429 41.639 42.059 0.014 0.000 0.901 2110 L HN -0.006 nan 8.230 nan 0.000 0.433 2111 L N -1.475 119.765 121.223 0.027 0.000 2.056 2111 L HA -0.216 4.125 4.340 0.001 0.000 0.207 2111 L C 2.437 179.333 176.870 0.044 0.000 1.078 2111 L CA 1.136 55.994 54.840 0.030 0.000 0.749 2111 L CB -0.503 41.577 42.059 0.033 0.000 0.901 2111 L HN 0.271 nan 8.230 nan 0.000 0.433 2112 L N -0.542 120.717 121.223 0.059 0.000 2.093 2112 L HA -0.160 4.181 4.340 0.001 0.000 0.208 2112 L C 2.859 179.760 176.870 0.053 0.000 1.085 2112 L CA 1.035 55.919 54.840 0.075 0.000 0.755 2112 L CB -0.742 41.378 42.059 0.101 0.000 0.904 2112 L HN 0.231 nan 8.230 nan 0.000 0.435 2113 A N 0.104 122.951 122.820 0.045 0.000 1.933 2113 A HA -0.127 4.194 4.320 0.001 0.000 0.218 2113 A C 2.520 180.119 177.584 0.024 0.000 1.175 2113 A CA 1.668 53.727 52.037 0.036 0.000 0.628 2113 A CB -0.558 18.462 19.000 0.034 0.000 0.814 2113 A HN 0.395 nan 8.150 nan 0.000 0.444 2114 A N -0.225 122.605 122.820 0.018 0.000 1.897 2114 A HA 0.253 4.574 4.320 0.001 0.000 0.215 2114 A C 2.481 180.079 177.584 0.023 0.000 1.181 2114 A CA 1.791 53.836 52.037 0.014 0.000 0.620 2114 A CB -0.933 18.072 19.000 0.008 0.000 0.821 2114 A HN 0.989 nan 8.150 nan 0.000 0.443 2115 A N -0.126 122.711 122.820 0.028 0.000 1.930 2115 A HA -0.153 4.168 4.320 0.001 0.000 0.217 2115 A C 2.108 179.702 177.584 0.017 0.000 1.175 2115 A CA 1.889 53.942 52.037 0.026 0.000 0.627 2115 A CB -0.455 18.564 19.000 0.032 0.000 0.815 2115 A HN 0.529 nan 8.150 nan 0.000 0.443 2116 K N -0.007 120.404 120.400 0.018 0.000 2.211 2116 K HA -0.163 4.158 4.320 0.001 0.000 0.204 2116 K C 1.897 178.505 176.600 0.013 0.000 1.047 2116 K CA 1.852 58.146 56.287 0.012 0.000 0.935 2116 K CB -0.320 32.192 32.500 0.020 0.000 0.728 2116 K HN 0.644 nan 8.250 nan 0.000 0.452 2117 T N -3.192 111.373 114.554 0.018 0.000 3.051 2117 T HA 0.051 4.402 4.350 0.001 0.000 0.269 2117 T C 1.429 176.141 174.700 0.019 0.000 1.127 2117 T CA 0.996 63.108 62.100 0.020 0.000 1.107 2117 T CB -0.212 68.669 68.868 0.021 0.000 0.898 2117 T HN 0.434 nan 8.240 nan 0.000 0.517 2118 G N 1.309 110.119 108.800 0.018 0.000 2.205 2118 G HA2 -0.256 3.705 3.960 0.001 0.000 0.261 2118 G HA3 -0.256 3.705 3.960 0.001 0.000 0.261 2118 G C 0.411 175.327 174.900 0.027 0.000 0.980 2118 G CA 0.058 45.169 45.100 0.018 0.000 0.632 2118 G HN 0.622 nan 8.290 nan 0.000 0.533 2119 R N 0.641 121.161 120.500 0.033 0.000 2.652 2119 R HA 0.705 5.046 4.340 0.001 0.000 0.271 2119 R C 0.910 177.246 176.300 0.060 0.000 1.129 2119 R CA 0.240 56.368 56.100 0.046 0.000 1.200 2119 R CB -0.161 30.166 30.300 0.045 0.000 1.146 2119 R HN 0.709 nan 8.270 nan 0.000 0.581 2120 A N 0.557 123.429 122.820 0.087 0.000 2.371 2120 A HA 0.435 4.756 4.320 0.001 0.000 0.257 2120 A C -0.390 177.272 177.584 0.130 0.000 1.089 2120 A CA -0.425 51.692 52.037 0.134 0.000 0.794 2120 A CB 0.647 19.783 19.000 0.228 0.000 1.029 2120 A HN 0.307 nan 8.150 nan 0.000 0.488 2121 V N 2.655 122.659 119.914 0.150 0.000 2.487 2121 V HA 0.341 4.461 4.120 0.001 0.000 0.298 2121 V C -0.042 176.159 176.094 0.178 0.000 1.028 2121 V CA -0.704 61.667 62.300 0.117 0.000 0.860 2121 V CB 1.577 33.440 31.823 0.067 0.000 0.991 2121 V HN 0.971 nan 8.190 nan 0.000 0.427 2122 N N 3.630 122.398 118.700 0.112 0.000 2.479 2122 N HA 0.522 5.263 4.740 0.001 0.000 0.261 2122 N C -1.268 174.239 175.510 -0.004 0.000 0.979 2122 N CA -0.425 52.679 53.050 0.090 0.000 0.930 2122 N CB 1.703 40.178 38.487 -0.020 0.000 1.172 2122 N HN 0.447 nan 8.380 nan 0.000 0.499 2123 V N 4.044 123.957 119.914 -0.002 0.000 2.383 2123 V HA 0.236 4.357 4.120 0.001 0.000 0.275 2123 V C 0.231 176.254 176.094 -0.119 0.000 1.036 2123 V CA -0.711 61.555 62.300 -0.056 0.000 0.889 2123 V CB 1.030 32.835 31.823 -0.030 0.000 0.985 2123 V HN 0.575 nan 8.190 nan 0.000 0.459 2124 K N 3.968 124.259 120.400 -0.181 0.000 2.379 2124 K HA 0.168 4.489 4.320 0.001 0.000 0.284 2124 K C 0.104 176.568 176.600 -0.226 0.000 1.044 2124 K CA -0.182 55.951 56.287 -0.257 0.000 0.974 2124 K CB 0.673 32.983 32.500 -0.317 0.000 0.962 2124 K HN 0.607 nan 8.250 nan 0.000 0.474 2125 K N 1.780 122.040 120.400 -0.232 0.000 2.402 2125 K HA 0.077 4.398 4.320 0.001 0.000 0.285 2125 K C 0.309 176.699 176.600 -0.350 0.000 1.054 2125 K CA -0.097 56.040 56.287 -0.250 0.000 1.001 2125 K CB 0.354 32.726 32.500 -0.215 0.000 0.946 2125 K HN 0.701 nan 8.250 nan 0.000 0.473 2126 G N 3.332 111.832 108.800 -0.499 0.000 2.391 2126 G HA2 -0.117 3.844 3.960 0.001 0.000 0.234 2126 G HA3 -0.117 3.844 3.960 0.001 0.000 0.234 2126 G C 0.193 174.656 174.900 -0.728 0.000 1.284 2126 G CA -0.364 44.226 45.100 -0.849 0.000 0.873 2126 G HN 0.813 nan 8.290 nan 0.000 0.549 2127 Q N 0.862 120.415 119.800 -0.413 0.000 2.437 2127 Q HA -0.035 4.306 4.340 0.001 0.000 0.210 2127 Q C 1.612 177.554 176.000 -0.096 0.000 0.972 2127 Q CA 1.290 56.998 55.803 -0.158 0.000 0.903 2127 Q CB -0.155 28.615 28.738 0.055 0.000 0.967 2127 Q HN 0.839 nan 8.270 nan 0.000 0.486 2128 F N -2.936 117.028 119.950 0.023 0.000 2.721 2128 F HA 0.352 4.879 4.527 0.001 0.000 0.301 2128 F C 0.232 176.013 175.800 -0.031 0.000 1.096 2128 F CA -0.879 57.124 58.000 0.005 0.000 1.308 2128 F CB 0.028 39.039 39.000 0.018 0.000 1.086 2128 F HN -0.126 nan 8.300 nan 0.000 0.587 2129 L N 1.984 122.999 121.223 -0.348 0.000 2.312 2129 L HA 0.726 5.067 4.340 0.001 0.000 0.281 2129 L C 0.280 176.994 176.870 -0.259 0.000 1.070 2129 L CA -0.988 53.715 54.840 -0.228 0.000 0.805 2129 L CB 1.017 42.856 42.059 -0.367 0.000 1.174 2129 L HN 0.226 nan 8.230 nan 0.000 0.434 2130 A N 5.895 128.532 122.820 -0.305 0.000 2.322 2130 A HA 0.545 4.866 4.320 0.001 0.000 0.269 2130 A C -1.835 175.327 177.584 -0.702 0.000 1.094 2130 A CA -1.083 50.572 52.037 -0.637 0.000 0.807 2130 A CB -0.094 18.381 19.000 -0.875 0.000 1.047 2130 A HN 0.746 nan 8.150 nan 0.000 0.487 2131 P HA -0.182 nan 4.420 nan 0.000 0.215 2131 P C 1.003 178.264 177.300 -0.065 0.000 1.157 2131 P CA 2.140 65.018 63.100 -0.370 0.000 0.874 2131 P CB -0.167 31.358 31.700 -0.292 0.000 0.790 2132 W N -0.361 121.072 121.300 0.220 0.000 2.525 2132 W HA 0.000 4.661 4.660 0.001 0.000 0.259 2132 W C 0.779 177.344 176.519 0.078 0.000 1.253 2132 W CA 0.646 58.176 57.345 0.309 0.000 1.262 2132 W CB -1.816 27.777 29.460 0.222 0.000 1.122 2132 W HN -0.097 nan 8.180 nan 0.000 0.607 2133 D N 0.793 121.192 120.400 -0.003 0.000 2.349 2133 D HA -0.063 4.577 4.640 0.001 0.000 0.224 2133 D C 1.876 178.120 176.300 -0.093 0.000 1.029 2133 D CA 1.557 55.547 54.000 -0.018 0.000 0.879 2133 D CB -0.179 40.609 40.800 -0.019 0.000 0.906 2133 D HN 0.381 nan 8.370 nan 0.000 0.528 2134 T N -2.348 112.164 114.554 -0.070 0.000 3.088 2134 T HA -0.005 4.345 4.350 0.001 0.000 0.259 2134 T C 1.727 176.238 174.700 -0.315 0.000 1.122 2134 T CA 0.198 62.257 62.100 -0.068 0.000 1.095 2134 T CB 0.349 69.293 68.868 0.126 0.000 0.930 2134 T HN 0.022 nan 8.240 nan 0.000 0.508 2135 K N 1.712 121.662 120.400 -0.751 0.000 2.063 2135 K HA -0.130 4.190 4.320 0.001 0.000 0.208 2135 K C 2.052 178.305 176.600 -0.578 0.000 1.048 2135 K CA 1.743 57.234 56.287 -1.327 0.000 0.928 2135 K CB -0.348 31.188 32.500 -1.607 0.000 0.713 2135 K HN 0.496 nan 8.250 nan 0.000 0.442 2136 N N -0.253 118.238 118.700 -0.349 0.000 2.309 2136 N HA -0.124 4.617 4.740 0.001 0.000 0.182 2136 N C 1.642 177.071 175.510 -0.135 0.000 1.018 2136 N CA 0.782 53.715 53.050 -0.195 0.000 0.876 2136 N CB 0.161 38.571 38.487 -0.128 0.000 0.972 2136 N HN -0.023 nan 8.380 nan 0.000 0.434 2137 V N 0.652 120.490 119.914 -0.127 0.000 2.343 2137 V HA -0.181 3.939 4.120 0.001 0.000 0.247 2137 V C 2.229 178.294 176.094 -0.049 0.000 1.051 2137 V CA 1.280 63.541 62.300 -0.065 0.000 1.036 2137 V CB -0.374 31.421 31.823 -0.047 0.000 0.654 2137 V HN 0.132 nan 8.190 nan 0.000 0.451 2138 V N 0.064 119.931 119.914 -0.079 0.000 2.295 2138 V HA -0.309 3.811 4.120 0.001 0.000 0.246 2138 V C 2.467 178.550 176.094 -0.018 0.000 1.049 2138 V CA 2.370 64.652 62.300 -0.030 0.000 1.024 2138 V CB -0.641 31.172 31.823 -0.017 0.000 0.648 2138 V HN 0.698 nan 8.190 nan 0.000 0.447 2139 E N 0.326 120.491 120.200 -0.059 0.000 2.097 2139 E HA -0.292 4.059 4.350 0.001 0.000 0.196 2139 E C 2.249 178.876 176.600 0.043 0.000 1.000 2139 E CA 1.647 58.037 56.400 -0.016 0.000 0.804 2139 E CB -0.084 29.578 29.700 -0.063 0.000 0.740 2139 E HN 0.582 nan 8.360 nan 0.000 0.454 2140 K N 0.125 120.535 120.400 0.017 0.000 2.026 2140 K HA -0.140 4.181 4.320 0.001 0.000 0.208 2140 K C 2.318 178.995 176.600 0.128 0.000 1.048 2140 K CA 1.435 57.759 56.287 0.062 0.000 0.929 2140 K CB -0.156 32.356 32.500 0.020 0.000 0.713 2140 K HN 0.229 nan 8.250 nan 0.000 0.439 2141 L N 1.064 122.331 121.223 0.075 0.000 2.046 2141 L HA -0.203 4.138 4.340 0.001 0.000 0.208 2141 L C 2.350 179.264 176.870 0.072 0.000 1.077 2141 L CA 1.366 56.247 54.840 0.068 0.000 0.747 2141 L CB -0.363 41.721 42.059 0.042 0.000 0.896 2141 L HN 0.156 nan 8.230 nan 0.000 0.432 2142 K N -0.415 120.030 120.400 0.074 0.000 2.057 2142 K HA -0.220 4.101 4.320 0.001 0.000 0.207 2142 K C 2.093 178.739 176.600 0.077 0.000 1.049 2142 K CA 1.602 57.927 56.287 0.062 0.000 0.931 2142 K CB -0.335 32.202 32.500 0.062 0.000 0.714 2142 K HN 0.095 nan 8.250 nan 0.000 0.440 2143 F N 1.288 121.234 119.950 -0.006 0.000 2.202 2143 F HA -0.117 4.411 4.527 0.001 0.000 0.301 2143 F C 1.828 177.629 175.800 0.001 0.000 1.082 2143 F CA 1.636 59.634 58.000 -0.003 0.000 1.313 2143 F CB -0.310 38.686 39.000 -0.007 0.000 1.024 2143 F HN -0.016 nan 8.300 nan 0.000 0.495 2144 G N -1.241 107.595 108.800 0.061 0.000 2.920 2144 G HA2 0.295 4.256 3.960 0.001 0.000 0.208 2144 G HA3 0.295 4.256 3.960 0.001 0.000 0.208 2144 G C 1.297 176.162 174.900 -0.057 0.000 1.159 2144 G CA 0.326 45.418 45.100 -0.012 0.000 0.784 2144 G HN 0.954 nan 8.290 nan 0.000 0.535 2145 G N -1.437 107.325 108.800 -0.065 0.000 2.176 2145 G HA2 0.124 4.085 3.960 0.001 0.000 0.232 2145 G HA3 0.124 4.085 3.960 0.001 0.000 0.232 2145 G C 0.494 175.384 174.900 -0.016 0.000 0.986 2145 G CA 0.124 45.194 45.100 -0.051 0.000 0.643 2145 G HN 1.293 nan 8.290 nan 0.000 0.522 2146 A N -0.099 122.722 122.820 0.002 0.000 2.401 2146 A HA 0.723 5.044 4.320 0.001 0.000 0.259 2146 A C 1.085 178.671 177.584 0.003 0.000 1.103 2146 A CA 0.967 53.011 52.037 0.011 0.000 0.789 2146 A CB 0.445 19.459 19.000 0.023 0.000 1.035 2146 A HN 0.376 nan 8.150 nan 0.000 0.491 2147 K N 0.624 121.024 120.400 -0.000 0.000 2.436 2147 K HA 0.112 4.432 4.320 0.001 0.000 0.198 2147 K C 0.143 176.722 176.600 -0.035 0.000 1.174 2147 K CA 0.274 56.554 56.287 -0.011 0.000 0.951 2147 K CB 0.745 33.241 32.500 -0.005 0.000 1.040 2147 K HN 0.793 nan 8.250 nan 0.000 0.536 2148 E N 2.039 122.219 120.200 -0.033 0.000 2.101 2148 E HA 0.288 4.639 4.350 0.001 0.000 0.260 2148 E C -1.265 175.262 176.600 -0.123 0.000 0.897 2148 E CA -0.251 56.090 56.400 -0.098 0.000 0.744 2148 E CB 0.569 30.268 29.700 -0.002 0.000 1.140 2148 E HN 0.081 nan 8.360 nan 0.000 0.419 2149 I N 4.349 124.779 120.570 -0.233 0.000 2.433 2149 I HA 0.336 4.507 4.170 0.001 0.000 0.292 2149 I C -1.028 174.916 176.117 -0.289 0.000 1.001 2149 I CA -0.835 60.380 61.300 -0.142 0.000 1.119 2149 I CB 1.054 39.028 38.000 -0.043 0.000 1.289 2149 I HN 0.456 nan 8.210 nan 0.000 0.438 2150 Y N 5.757 126.061 120.300 0.006 0.000 2.446 2150 Y HA 0.641 5.192 4.550 0.001 0.000 0.345 2150 Y C -0.476 175.413 175.900 -0.020 0.000 0.984 2150 Y CA -0.824 57.270 58.100 -0.009 0.000 1.058 2150 Y CB 1.829 40.273 38.460 -0.028 0.000 1.220 2150 Y HN 0.276 nan 8.280 nan 0.000 0.455 2151 L N 2.880 124.185 121.223 0.137 0.000 2.325 2151 L HA 0.556 4.897 4.340 0.001 0.000 0.281 2151 L C -0.649 176.221 176.870 0.001 0.000 1.004 2151 L CA -0.525 54.347 54.840 0.052 0.000 0.823 2151 L CB 1.941 44.042 42.059 0.071 0.000 1.236 2151 L HN 0.653 nan 8.230 nan 0.000 0.415 2152 T N 1.367 115.869 114.554 -0.087 0.000 2.758 2152 T HA 0.206 4.556 4.350 0.001 0.000 0.285 2152 T C -0.261 174.323 174.700 -0.192 0.000 0.981 2152 T CA -0.435 61.565 62.100 -0.166 0.000 0.965 2152 T CB 1.462 70.132 68.868 -0.329 0.000 0.927 2152 T HN 0.405 nan 8.240 nan 0.000 0.448 2153 E N 2.788 122.906 120.200 -0.136 0.000 2.257 2153 E HA 0.221 4.572 4.350 0.001 0.000 0.278 2153 E C 0.564 177.030 176.600 -0.223 0.000 1.049 2153 E CA -0.424 55.897 56.400 -0.132 0.000 0.876 2153 E CB 0.433 30.124 29.700 -0.014 0.000 1.035 2153 E HN 0.633 nan 8.360 nan 0.000 0.419 2154 R N 3.075 123.428 120.500 -0.244 0.000 2.616 2154 R HA 0.493 4.833 4.340 0.001 0.000 0.427 2154 R C 0.221 176.403 176.300 -0.196 0.000 1.030 2154 R CA -0.174 55.762 56.100 -0.273 0.000 1.133 2154 R CB 0.123 30.230 30.300 -0.322 0.000 1.444 2154 R HN 0.632 nan 8.270 nan 0.000 0.578 2155 G N -0.026 108.671 108.800 -0.171 0.000 2.662 2155 G HA2 -0.038 3.922 3.960 0.001 0.000 0.686 2155 G HA3 -0.038 3.922 3.960 0.001 0.000 0.686 2155 G C -0.899 173.924 174.900 -0.127 0.000 1.271 2155 G CA -0.460 44.557 45.100 -0.138 0.000 0.816 2155 G HN 0.166 nan 8.290 nan 0.000 0.608 2156 T N 0.930 115.429 114.554 -0.092 0.000 2.893 2156 T HA 0.636 4.987 4.350 0.001 0.000 0.293 2156 T C 0.424 175.145 174.700 0.036 0.000 1.027 2156 T CA -0.001 62.066 62.100 -0.057 0.000 0.988 2156 T CB 1.658 70.477 68.868 -0.082 0.000 1.043 2156 T HN 0.910 nan 8.240 nan 0.000 0.461 2157 T N 3.191 117.786 114.554 0.068 0.000 2.822 2157 T HA 0.103 4.453 4.350 0.001 0.000 0.288 2157 T C -0.667 174.134 174.700 0.169 0.000 0.991 2157 T CA 0.576 62.746 62.100 0.116 0.000 1.176 2157 T CB -0.492 68.445 68.868 0.115 0.000 0.951 2157 T HN 0.420 nan 8.240 nan 0.000 0.526 2158 F N 4.105 124.044 119.950 -0.018 0.000 2.691 2158 F HA 0.527 5.055 4.527 0.001 0.000 0.371 2158 F C 0.704 176.469 175.800 -0.058 0.000 1.159 2158 F CA 0.048 58.024 58.000 -0.040 0.000 1.174 2158 F CB -0.097 38.882 39.000 -0.035 0.000 1.419 2158 F HN 0.929 nan 8.300 nan 0.000 0.514 2159 G N 2.997 111.550 108.800 -0.410 0.000 2.598 2159 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 2159 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 2159 G C -1.329 173.398 174.900 -0.288 0.000 1.302 2159 G CA -0.344 44.453 45.100 -0.505 0.000 0.903 2159 G HN 0.523 nan 8.290 nan 0.000 0.575 2160 Y N 1.620 121.878 120.300 -0.071 0.000 2.310 2160 Y HA 0.481 5.031 4.550 0.001 0.000 0.326 2160 Y C 1.444 177.350 175.900 0.010 0.000 1.151 2160 Y CA -0.483 57.606 58.100 -0.019 0.000 1.195 2160 Y CB 0.988 39.435 38.460 -0.021 0.000 1.210 2160 Y HN 0.648 nan 8.280 nan 0.000 0.483 2161 N N 1.998 120.827 118.700 0.215 0.000 2.727 2161 N HA -0.321 4.419 4.740 0.001 0.000 0.249 2161 N C -0.825 174.763 175.510 0.131 0.000 1.048 2161 N CA 1.008 54.144 53.050 0.143 0.000 0.714 2161 N CB -1.071 37.485 38.487 0.115 0.000 0.959 2161 N HN 0.891 nan 8.380 nan 0.000 0.544 2162 N N -0.302 118.481 118.700 0.139 0.000 2.446 2162 N HA 0.497 5.238 4.740 0.001 0.000 0.272 2162 N C -1.549 174.059 175.510 0.164 0.000 1.127 2162 N CA -0.528 52.612 53.050 0.151 0.000 0.896 2162 N CB 1.531 40.130 38.487 0.186 0.000 1.658 2162 N HN -0.013 nan 8.380 nan 0.000 0.483 2163 L N 2.306 123.604 121.223 0.125 0.000 2.386 2163 L HA 0.648 4.989 4.340 0.001 0.000 0.271 2163 L C -0.648 176.229 176.870 0.012 0.000 0.993 2163 L CA -0.989 53.898 54.840 0.078 0.000 0.819 2163 L CB 2.021 44.097 42.059 0.029 0.000 1.294 2163 L HN 0.270 nan 8.230 nan 0.000 0.414 2164 V N 3.640 123.520 119.914 -0.057 0.000 2.715 2164 V HA 0.533 4.654 4.120 0.001 0.000 0.310 2164 V C -0.566 175.412 176.094 -0.194 0.000 1.054 2164 V CA -0.482 61.692 62.300 -0.210 0.000 0.928 2164 V CB 2.474 34.005 31.823 -0.487 0.000 1.007 2164 V HN 0.426 nan 8.190 nan 0.000 0.437 2165 V N 5.354 125.134 119.914 -0.224 0.000 2.333 2165 V HA 0.355 4.476 4.120 0.001 0.000 0.274 2165 V C -0.262 175.595 176.094 -0.396 0.000 1.028 2165 V CA -0.468 61.620 62.300 -0.353 0.000 0.851 2165 V CB 1.370 32.892 31.823 -0.502 0.000 1.000 2165 V HN 0.916 nan 8.190 nan 0.000 0.456 2166 D N 4.098 124.299 120.400 -0.332 0.000 2.441 2166 D HA 0.242 4.883 4.640 0.001 0.000 0.221 2166 D C 0.679 176.840 176.300 -0.232 0.000 1.156 2166 D CA -0.379 53.499 54.000 -0.204 0.000 0.896 2166 D CB 0.592 41.306 40.800 -0.145 0.000 1.028 2166 D HN 0.402 nan 8.370 nan 0.000 0.509 2167 F N 1.980 121.879 119.950 -0.085 0.000 2.583 2167 F HA -0.001 4.526 4.527 0.001 0.000 0.297 2167 F C 2.239 177.996 175.800 -0.071 0.000 1.131 2167 F CA 0.412 58.356 58.000 -0.093 0.000 1.467 2167 F CB 0.058 38.986 39.000 -0.119 0.000 1.097 2167 F HN 0.282 nan 8.300 nan 0.000 0.586 2168 R N -0.244 120.297 120.500 0.067 0.000 2.189 2168 R HA -0.130 4.210 4.340 0.001 0.000 0.223 2168 R C 2.506 178.817 176.300 0.019 0.000 1.092 2168 R CA 1.301 57.433 56.100 0.053 0.000 0.989 2168 R CB -0.511 29.831 30.300 0.069 0.000 0.876 2168 R HN 0.357 nan 8.270 nan 0.000 0.457 2169 S N 0.796 116.474 115.700 -0.036 0.000 2.382 2169 S HA -0.135 4.336 4.470 0.001 0.000 0.228 2169 S C 1.879 176.445 174.600 -0.057 0.000 1.027 2169 S CA 0.814 58.974 58.200 -0.067 0.000 0.991 2169 S CB -0.224 62.900 63.200 -0.128 0.000 0.823 2169 S HN 0.051 nan 8.310 nan 0.000 0.469 2170 L N 2.914 124.113 121.223 -0.041 0.000 1.956 2170 L HA 0.004 4.345 4.340 0.001 0.000 0.216 2170 L C -0.350 176.470 176.870 -0.084 0.000 1.073 2170 L CA 2.062 56.876 54.840 -0.044 0.000 0.762 2170 L CB -1.786 40.271 42.059 -0.005 0.000 0.889 2170 L HN 0.278 nan 8.230 nan 0.000 0.433 2171 P HA -0.146 nan 4.420 nan 0.000 0.220 2171 P C 2.059 179.268 177.300 -0.152 0.000 1.148 2171 P CA 1.564 64.605 63.100 -0.098 0.000 0.803 2171 P CB 0.078 31.747 31.700 -0.052 0.000 0.782 2172 I N -0.776 119.723 120.570 -0.120 0.000 2.202 2172 I HA -0.179 3.992 4.170 0.001 0.000 0.242 2172 I C 2.724 178.566 176.117 -0.458 0.000 1.091 2172 I CA 1.456 62.655 61.300 -0.168 0.000 1.368 2172 I CB -0.600 37.434 38.000 0.057 0.000 1.058 2172 I HN -0.160 nan 8.210 nan 0.000 0.410 2173 M N 0.173 119.597 119.600 -0.294 0.000 2.296 2173 M HA -0.158 4.322 4.480 0.001 0.000 0.265 2173 M C 2.097 178.063 176.300 -0.557 0.000 1.064 2173 M CA 1.171 56.263 55.300 -0.347 0.000 1.109 2173 M CB -0.367 32.209 32.600 -0.041 0.000 1.396 2173 M HN -0.011 nan 8.290 nan 0.000 0.430 2174 K N 1.163 121.328 120.400 -0.391 0.000 2.442 2174 K HA -0.125 4.196 4.320 0.001 0.000 0.198 2174 K C 1.593 177.971 176.600 -0.370 0.000 1.044 2174 K CA 1.309 57.419 56.287 -0.294 0.000 0.948 2174 K CB -0.146 32.239 32.500 -0.190 0.000 0.762 2174 K HN 0.438 nan 8.250 nan 0.000 0.472 2175 Q N -1.251 118.154 119.800 -0.657 0.000 2.224 2175 Q HA -0.103 4.238 4.340 0.001 0.000 0.203 2175 Q C 0.516 176.345 176.000 -0.286 0.000 0.970 2175 Q CA 1.511 56.997 55.803 -0.528 0.000 0.865 2175 Q CB -0.043 28.254 28.738 -0.735 0.000 0.922 2175 Q HN 0.634 nan 8.270 nan 0.000 0.445 2176 W N -2.132 119.171 121.300 0.004 0.000 2.304 2176 W HA 0.723 5.384 4.660 0.001 0.000 0.326 2176 W C -0.231 176.273 176.519 -0.025 0.000 0.920 2176 W CA -0.341 57.001 57.345 -0.004 0.000 1.518 2176 W CB 0.236 29.701 29.460 0.008 0.000 1.112 2176 W HN -0.091 nan 8.180 nan 0.000 0.528 2177 A N 0.695 123.561 122.820 0.077 0.000 2.567 2177 A HA 0.560 4.881 4.320 0.001 0.000 0.291 2177 A C -1.060 176.499 177.584 -0.042 0.000 1.048 2177 A CA -1.253 50.810 52.037 0.044 0.000 0.661 2177 A CB 0.848 19.930 19.000 0.137 0.000 1.288 2177 A HN 0.043 nan 8.150 nan 0.000 0.424 2178 K N 0.509 120.852 120.400 -0.095 0.000 2.350 2178 K HA 0.478 4.799 4.320 0.001 0.000 0.279 2178 K C -0.696 175.929 176.600 0.041 0.000 1.027 2178 K CA -0.179 56.073 56.287 -0.059 0.000 0.969 2178 K CB 1.091 33.499 32.500 -0.152 0.000 0.954 2178 K HN 0.380 nan 8.250 nan 0.000 0.474 2179 V N 4.840 124.777 119.914 0.038 0.000 2.435 2179 V HA 0.337 4.458 4.120 0.001 0.000 0.290 2179 V C -0.059 176.069 176.094 0.058 0.000 1.030 2179 V CA -0.871 61.455 62.300 0.043 0.000 0.881 2179 V CB 1.240 33.059 31.823 -0.005 0.000 0.983 2179 V HN 0.585 nan 8.190 nan 0.000 0.445 2180 I N 4.115 124.714 120.570 0.049 0.000 2.530 2180 I HA 0.398 4.568 4.170 0.001 0.000 0.297 2180 I C -0.832 175.318 176.117 0.055 0.000 1.011 2180 I CA -0.826 60.484 61.300 0.017 0.000 1.107 2180 I CB 1.836 39.810 38.000 -0.043 0.000 1.285 2180 I HN 0.686 nan 8.210 nan 0.000 0.436 2181 Y N 4.502 124.790 120.300 -0.019 0.000 2.331 2181 Y HA 0.322 4.872 4.550 0.001 0.000 0.338 2181 Y C -0.064 175.850 175.900 0.023 0.000 0.976 2181 Y CA -0.913 57.184 58.100 -0.005 0.000 1.137 2181 Y CB 0.867 39.371 38.460 0.073 0.000 1.172 2181 Y HN 0.499 nan 8.280 nan 0.000 0.478 2182 D N 5.231 125.215 120.400 -0.693 0.000 2.402 2182 D HA 0.219 4.860 4.640 0.001 0.000 0.235 2182 D C 0.658 176.445 176.300 -0.854 0.000 1.226 2182 D CA 0.401 54.072 54.000 -0.549 0.000 0.918 2182 D CB 1.128 41.594 40.800 -0.556 0.000 1.043 2182 D HN 0.796 nan 8.370 nan 0.000 0.506 2183 A N 2.878 125.373 122.820 -0.541 0.000 2.066 2183 A HA -0.096 4.225 4.320 0.001 0.000 0.218 2183 A C 1.903 179.454 177.584 -0.056 0.000 1.157 2183 A CA 1.681 53.560 52.037 -0.265 0.000 0.670 2183 A CB -0.210 18.860 19.000 0.117 0.000 0.804 2183 A HN 0.605 nan 8.150 nan 0.000 0.453 2184 T N -4.486 110.046 114.554 -0.037 0.000 3.034 2184 T HA 0.210 4.561 4.350 0.001 0.000 0.248 2184 T C 1.830 176.525 174.700 -0.008 0.000 1.040 2184 T CA 1.028 63.136 62.100 0.012 0.000 1.107 2184 T CB -0.253 68.631 68.868 0.028 0.000 0.932 2184 T HN 0.269 nan 8.240 nan 0.000 0.474 2185 G N 1.185 109.950 108.800 -0.058 0.000 2.464 2185 G HA2 -0.023 3.938 3.960 0.001 0.000 0.217 2185 G HA3 -0.023 3.938 3.960 0.001 0.000 0.217 2185 G C 1.686 176.527 174.900 -0.098 0.000 1.138 2185 G CA 0.622 45.668 45.100 -0.091 0.000 0.793 2185 G HN 0.525 nan 8.290 nan 0.000 0.539 2186 S N -0.100 115.523 115.700 -0.129 0.000 2.481 2186 S HA -0.053 4.418 4.470 0.001 0.000 0.231 2186 S C 2.225 176.836 174.600 0.019 0.000 0.996 2186 S CA 1.126 59.282 58.200 -0.074 0.000 0.942 2186 S CB 0.135 63.294 63.200 -0.070 0.000 0.768 2186 S HN 0.488 nan 8.310 nan 0.000 0.520 2187 V N 0.131 120.081 119.914 0.059 0.000 3.578 2187 V HA 0.216 4.337 4.120 0.001 0.000 0.290 2187 V C 0.535 176.694 176.094 0.107 0.000 1.376 2187 V CA -0.508 61.866 62.300 0.123 0.000 1.083 2187 V CB -0.864 31.082 31.823 0.205 0.000 0.911 2187 V HN 0.497 nan 8.190 nan 0.000 0.433 2188 Q N 1.388 121.224 119.800 0.061 0.000 2.394 2188 Q HA 0.547 4.888 4.340 0.001 0.000 0.248 2188 Q C -0.742 175.299 176.000 0.068 0.000 0.992 2188 Q CA -0.470 55.368 55.803 0.058 0.000 0.888 2188 Q CB 1.355 30.110 28.738 0.030 0.000 1.257 2188 Q HN 0.517 nan 8.270 nan 0.000 0.462 2189 L N 2.855 124.123 121.223 0.076 0.000 2.301 2189 L HA 0.431 4.771 4.340 0.001 0.000 0.278 2189 L C -2.021 174.899 176.870 0.083 0.000 1.022 2189 L CA -2.174 52.718 54.840 0.086 0.000 0.854 2189 L CB 0.911 43.025 42.059 0.092 0.000 1.226 2189 L HN 0.613 nan 8.230 nan 0.000 0.429 2200 M N 1.208 120.906 119.600 0.163 0.000 2.061 2200 M HA 0.468 4.949 4.480 0.001 0.000 0.346 2200 M C 1.401 177.723 176.300 0.036 0.000 1.112 2200 M CA -0.479 54.878 55.300 0.094 0.000 1.021 2200 M CB 1.601 34.301 32.600 0.166 0.000 1.530 2200 M HN 0.656 nan 8.290 nan 0.000 0.437 2201 R N 2.370 122.856 120.500 -0.022 0.000 2.152 2201 R HA -0.159 4.182 4.340 0.001 0.000 0.232 2201 R C 1.567 177.831 176.300 -0.060 0.000 1.117 2201 R CA 1.861 57.954 56.100 -0.012 0.000 0.981 2201 R CB 0.107 30.396 30.300 -0.017 0.000 0.870 2201 R HN 0.856 nan 8.270 nan 0.000 0.451 2202 E N -0.628 119.434 120.200 -0.230 0.000 2.333 2202 E HA -0.193 4.158 4.350 0.001 0.000 0.198 2202 E C 0.619 177.034 176.600 -0.309 0.000 1.007 2202 E CA 0.930 57.130 56.400 -0.333 0.000 0.845 2202 E CB -0.151 29.215 29.700 -0.556 0.000 0.766 2202 E HN 0.378 nan 8.360 nan 0.000 0.507 2203 F N 0.599 120.605 119.950 0.094 0.000 2.727 2203 F HA 0.326 4.853 4.527 0.001 0.000 0.302 2203 F C 1.768 177.659 175.800 0.152 0.000 1.097 2203 F CA -0.566 57.498 58.000 0.107 0.000 1.330 2203 F CB -0.064 38.991 39.000 0.093 0.000 1.084 2203 F HN -0.048 nan 8.300 nan 0.000 0.578 2204 I N -0.517 120.215 120.570 0.271 0.000 2.099 2204 I HA -0.356 3.815 4.170 0.001 0.000 0.239 2204 I C 2.543 178.870 176.117 0.350 0.000 1.066 2204 I CA 1.841 63.302 61.300 0.268 0.000 1.324 2204 I CB -0.518 37.582 38.000 0.167 0.000 1.037 2204 I HN 0.133 nan 8.210 nan 0.000 0.401 2205 F N 1.969 121.991 119.950 0.120 0.000 2.113 2205 F HA -0.146 4.381 4.527 0.001 0.000 0.297 2205 F C -0.376 175.485 175.800 0.102 0.000 1.103 2205 F CA 1.105 59.164 58.000 0.098 0.000 1.248 2205 F CB -0.988 38.046 39.000 0.058 0.000 0.999 2205 F HN 0.014 nan 8.300 nan 0.000 0.475 2206 P HA -0.210 nan 4.420 nan 0.000 0.215 2206 P C 1.705 179.037 177.300 0.053 0.000 1.157 2206 P CA 1.670 64.782 63.100 0.021 0.000 0.874 2206 P CB -0.092 31.677 31.700 0.115 0.000 0.790 2207 L N -1.620 119.717 121.223 0.191 0.000 2.217 2207 L HA -0.058 4.283 4.340 0.001 0.000 0.211 2207 L C 2.416 179.382 176.870 0.160 0.000 1.107 2207 L CA 0.835 55.804 54.840 0.214 0.000 0.783 2207 L CB -0.582 41.722 42.059 0.407 0.000 0.919 2207 L HN -0.031 nan 8.230 nan 0.000 0.442 2208 I N -0.120 120.631 120.570 0.302 0.000 2.353 2208 I HA -0.244 3.927 4.170 0.001 0.000 0.248 2208 I C 2.776 178.973 176.117 0.133 0.000 1.119 2208 I CA 1.036 62.530 61.300 0.324 0.000 1.417 2208 I CB -0.021 38.236 38.000 0.428 0.000 1.078 2208 I HN 0.205 nan 8.210 nan 0.000 0.421 2209 R N 0.645 121.193 120.500 0.081 0.000 2.096 2209 R HA -0.135 4.206 4.340 0.001 0.000 0.235 2209 R C 2.333 178.548 176.300 -0.142 0.000 1.127 2209 R CA 1.423 57.502 56.100 -0.035 0.000 0.968 2209 R CB -0.488 29.715 30.300 -0.162 0.000 0.861 2209 R HN 0.432 nan 8.270 nan 0.000 0.440 2210 A N 1.352 124.012 122.820 -0.266 0.000 1.933 2210 A HA -0.088 4.233 4.320 0.001 0.000 0.218 2210 A C 2.391 179.637 177.584 -0.564 0.000 1.175 2210 A CA 1.585 53.297 52.037 -0.542 0.000 0.628 2210 A CB -0.536 17.891 19.000 -0.955 0.000 0.814 2210 A HN 0.383 nan 8.150 nan 0.000 0.444 2211 A N 0.001 122.589 122.820 -0.387 0.000 1.908 2211 A HA -0.053 4.267 4.320 0.001 0.000 0.218 2211 A C 2.301 179.847 177.584 -0.063 0.000 1.181 2211 A CA 2.354 54.286 52.037 -0.174 0.000 0.627 2211 A CB -1.210 17.580 19.000 -0.350 0.000 0.818 2211 A HN 1.165 nan 8.150 nan 0.000 0.445 2212 V N -3.019 116.889 119.914 -0.009 0.000 2.719 2212 V HA 0.162 4.283 4.120 0.001 0.000 0.252 2212 V C 2.395 178.548 176.094 0.099 0.000 1.065 2212 V CA 1.476 63.814 62.300 0.064 0.000 1.086 2212 V CB -1.105 30.749 31.823 0.051 0.000 0.700 2212 V HN 0.482 nan 8.190 nan 0.000 0.467 2213 A N 0.430 123.255 122.820 0.008 0.000 1.968 2213 A HA 0.023 4.344 4.320 0.001 0.000 0.217 2213 A C 2.304 179.944 177.584 0.094 0.000 1.169 2213 A CA 1.849 53.916 52.037 0.050 0.000 0.638 2213 A CB -0.579 18.379 19.000 -0.070 0.000 0.812 2213 A HN 0.419 nan 8.150 nan 0.000 0.446 2214 V N -0.854 119.028 119.914 -0.053 0.000 2.346 2214 V HA 0.284 4.404 4.120 0.001 0.000 0.244 2214 V C 1.319 177.287 176.094 -0.210 0.000 1.037 2214 V CA 1.385 63.641 62.300 -0.074 0.000 1.029 2214 V CB -1.084 30.686 31.823 -0.088 0.000 0.663 2214 V HN 1.211 nan 8.190 nan 0.000 0.454 2215 G N -0.181 108.405 108.800 -0.357 0.000 3.393 2215 G HA2 0.083 4.044 3.960 0.001 0.000 0.676 2215 G HA3 0.083 4.044 3.960 0.001 0.000 0.676 2215 G C -0.743 173.915 174.900 -0.404 0.000 1.224 2215 G CA -0.641 43.910 45.100 -0.915 0.000 1.109 2215 G HN 0.984 nan 8.290 nan 0.000 0.519 2216 C N 0.362 119.556 119.300 -0.176 0.000 3.236 2216 C HA 0.882 5.343 4.460 0.001 0.000 0.312 2216 C C 0.562 175.619 174.990 0.113 0.000 1.374 2216 C CA -0.581 58.435 59.018 -0.002 0.000 1.455 2216 C CB 1.974 29.769 27.740 0.093 0.000 1.834 2216 C HN 0.626 nan 8.230 nan 0.000 0.460 2217 D N 0.344 120.778 120.400 0.056 0.000 2.349 2217 D HA 0.399 5.040 4.640 0.001 0.000 0.214 2217 D C 0.750 176.881 176.300 -0.282 0.000 1.063 2217 D CA 1.207 55.226 54.000 0.032 0.000 0.847 2217 D CB 0.894 41.725 40.800 0.053 0.000 0.933 2217 D HN 1.107 nan 8.370 nan 0.000 0.513 2218 G N -0.376 108.178 108.800 -0.410 0.000 2.338 2218 G HA2 0.365 4.326 3.960 0.001 0.000 0.295 2218 G HA3 0.365 4.326 3.960 0.001 0.000 0.295 2218 G C -1.699 172.992 174.900 -0.347 0.000 1.461 2218 G CA -0.594 43.973 45.100 -0.889 0.000 0.817 2218 G HN -0.053 nan 8.290 nan 0.000 0.556 2219 V N 0.165 119.896 119.914 -0.305 0.000 2.864 2219 V HA 0.813 4.934 4.120 0.001 0.000 0.314 2219 V C -1.146 174.944 176.094 -0.007 0.000 1.073 2219 V CA -0.738 61.576 62.300 0.023 0.000 0.956 2219 V CB 1.975 33.909 31.823 0.186 0.000 1.023 2219 V HN 0.842 nan 8.190 nan 0.000 0.435 2220 F N 4.282 124.142 119.950 -0.151 0.000 2.518 2220 F HA 0.829 5.356 4.527 0.001 0.000 0.323 2220 F C -0.602 175.096 175.800 -0.169 0.000 1.129 2220 F CA -0.675 57.212 58.000 -0.188 0.000 0.920 2220 F CB 1.600 40.471 39.000 -0.216 0.000 1.160 2220 F HN 0.387 nan 8.300 nan 0.000 0.440 2221 M N 5.358 124.725 119.600 -0.388 0.000 2.324 2221 M HA 0.311 4.792 4.480 0.001 0.000 0.288 2221 M C -1.309 174.771 176.300 -0.368 0.000 1.097 2221 M CA -0.581 54.575 55.300 -0.240 0.000 0.928 2221 M CB 2.795 35.315 32.600 -0.135 0.000 1.648 2221 M HN 0.499 nan 8.290 nan 0.000 0.460 2222 E N 1.783 121.861 120.200 -0.203 0.000 2.167 2222 E HA 0.359 4.709 4.350 0.001 0.000 0.284 2222 E C -0.671 175.871 176.600 -0.097 0.000 1.016 2222 E CA -0.282 56.014 56.400 -0.174 0.000 0.817 2222 E CB 1.889 31.551 29.700 -0.062 0.000 1.080 2222 E HN 0.437 nan 8.360 nan 0.000 0.397 2223 T N 2.596 117.089 114.554 -0.103 0.000 2.863 2223 T HA 0.254 4.605 4.350 0.001 0.000 0.285 2223 T C -1.446 173.276 174.700 0.036 0.000 1.009 2223 T CA -0.615 61.464 62.100 -0.035 0.000 0.989 2223 T CB 1.074 69.905 68.868 -0.062 0.000 1.004 2223 T HN 0.452 nan 8.240 nan 0.000 0.455 2224 H N 3.770 122.816 119.070 -0.040 0.000 2.974 2224 H HA 0.356 4.913 4.556 0.001 0.000 0.366 2224 H C -2.510 172.810 175.328 -0.014 0.000 1.155 2224 H CA -1.710 54.326 56.048 -0.020 0.000 1.186 2224 H CB 2.605 32.357 29.762 -0.016 0.000 1.799 2224 H HN 0.321 nan 8.280 nan 0.000 0.541 2225 P HA -0.116 nan 4.420 nan 0.000 0.216 2225 P C -0.581 176.850 177.300 0.218 0.000 1.153 2225 P CA 1.584 64.736 63.100 0.087 0.000 0.858 2225 P CB 0.393 32.074 31.700 -0.032 0.000 0.789 2226 E N -2.373 118.120 120.200 0.488 0.000 3.108 2226 E HA 0.152 4.503 4.350 0.001 0.000 0.228 2226 E C -2.159 174.380 176.600 -0.102 0.000 1.176 2226 E CA -1.630 54.872 56.400 0.170 0.000 0.881 2226 E CB 1.017 30.787 29.700 0.117 0.000 1.354 2226 E HN 0.101 nan 8.360 nan 0.000 0.400 2227 P HA -0.311 nan 4.420 nan 0.000 0.218 2227 P C 1.234 178.392 177.300 -0.237 0.000 1.154 2227 P CA 1.566 64.526 63.100 -0.234 0.000 0.872 2227 P CB 0.179 31.835 31.700 -0.073 0.000 0.790 2228 E N 0.163 120.282 120.200 -0.136 0.000 2.267 2228 E HA -0.196 4.154 4.350 0.001 0.000 0.197 2228 E C 1.436 177.964 176.600 -0.121 0.000 0.998 2228 E CA 1.242 57.583 56.400 -0.099 0.000 0.830 2228 E CB -0.644 29.024 29.700 -0.055 0.000 0.751 2228 E HN 0.253 nan 8.360 nan 0.000 0.491 2229 K N 0.389 120.686 120.400 -0.172 0.000 2.367 2229 K HA 0.282 4.603 4.320 0.001 0.000 0.194 2229 K C 0.467 176.929 176.600 -0.231 0.000 1.027 2229 K CA 0.187 56.387 56.287 -0.145 0.000 1.075 2229 K CB 0.663 33.127 32.500 -0.059 0.000 0.845 2229 K HN 0.151 nan 8.250 nan 0.000 0.529 2230 A N 1.220 123.767 122.820 -0.455 0.000 2.520 2230 A HA 0.037 4.357 4.320 0.001 0.000 0.235 2230 A C 0.970 178.447 177.584 -0.177 0.000 1.065 2230 A CA 0.100 51.875 52.037 -0.436 0.000 0.764 2230 A CB 0.101 18.798 19.000 -0.505 0.000 1.002 2230 A HN 0.266 nan 8.150 nan 0.000 0.502 2231 L N 0.941 122.085 121.223 -0.131 0.000 2.558 2231 L HA 0.090 4.431 4.340 0.001 0.000 0.225 2231 L C 0.359 177.270 176.870 0.069 0.000 1.128 2231 L CA 0.423 55.188 54.840 -0.125 0.000 0.868 2231 L CB -0.248 41.487 42.059 -0.540 0.000 1.006 2231 L HN 0.593 nan 8.230 nan 0.000 0.454 2232 S N -1.225 114.515 115.700 0.067 0.000 2.546 2232 S HA 0.229 4.700 4.470 0.001 0.000 0.274 2232 S C -0.580 174.041 174.600 0.035 0.000 1.121 2232 S CA -0.846 57.411 58.200 0.096 0.000 0.887 2232 S CB 2.002 65.293 63.200 0.152 0.000 1.094 2232 S HN 0.137 nan 8.310 nan 0.000 0.474 2233 D N 1.252 121.672 120.400 0.032 0.000 2.720 2233 D HA -0.209 4.432 4.640 0.001 0.000 0.229 2233 D C 1.061 177.353 176.300 -0.013 0.000 1.198 2233 D CA 0.829 54.838 54.000 0.014 0.000 0.639 2233 D CB -0.686 40.126 40.800 0.020 0.000 1.003 2233 D HN 0.669 nan 8.370 nan 0.000 0.411 2234 A N -0.366 122.436 122.820 -0.030 0.000 2.121 2234 A HA -0.076 4.245 4.320 0.001 0.000 0.218 2234 A C 2.277 179.835 177.584 -0.043 0.000 1.154 2234 A CA 1.275 53.272 52.037 -0.068 0.000 0.679 2234 A CB 0.213 19.168 19.000 -0.075 0.000 0.795 2234 A HN 0.291 nan 8.150 nan 0.000 0.458 2235 S N -1.082 114.610 115.700 -0.014 0.000 2.524 2235 S HA -0.008 4.462 4.470 0.001 0.000 0.216 2235 S C 1.665 176.270 174.600 0.008 0.000 0.987 2235 S CA 1.184 59.383 58.200 -0.001 0.000 0.909 2235 S CB 0.074 63.282 63.200 0.014 0.000 0.781 2235 S HN 0.879 nan 8.310 nan 0.000 0.521 2236 T N -1.640 112.919 114.554 0.009 0.000 2.975 2236 T HA 0.270 4.620 4.350 0.001 0.000 0.261 2236 T C 0.344 175.051 174.700 0.012 0.000 0.984 2236 T CA -0.309 61.803 62.100 0.020 0.000 0.911 2236 T CB 0.024 68.910 68.868 0.030 0.000 1.127 2236 T HN 0.090 nan 8.240 nan 0.000 0.514 2237 Q N 1.179 120.979 119.800 -0.001 0.000 2.337 2237 Q HA 0.398 4.738 4.340 0.001 0.000 0.270 2237 Q C -0.827 175.174 176.000 0.001 0.000 1.002 2237 Q CA -0.470 55.334 55.803 0.000 0.000 0.888 2237 Q CB 1.081 29.821 28.738 0.004 0.000 1.222 2237 Q HN 0.325 nan 8.270 nan 0.000 0.400 2238 L N 5.561 126.783 121.223 -0.003 0.000 2.331 2238 L HA 0.278 4.619 4.340 0.001 0.000 0.278 2238 L C -2.354 174.518 176.870 0.002 0.000 1.106 2238 L CA -1.559 53.275 54.840 -0.010 0.000 0.824 2238 L CB 0.769 42.810 42.059 -0.031 0.000 1.142 2238 L HN 0.400 nan 8.230 nan 0.000 0.443 2239 P HA 0.001 nan 4.420 nan 0.000 0.267 2239 P C 0.972 178.274 177.300 0.003 0.000 1.209 2239 P CA 0.073 63.181 63.100 0.015 0.000 0.763 2239 P CB 0.601 32.303 31.700 0.004 0.000 0.816 2240 L N 3.138 124.371 121.223 0.015 0.000 2.051 2240 L HA -0.283 4.058 4.340 0.001 0.000 0.214 2240 L C 2.002 178.868 176.870 -0.007 0.000 1.076 2240 L CA 2.572 57.411 54.840 -0.002 0.000 0.758 2240 L CB -0.610 41.445 42.059 -0.006 0.000 0.890 2240 L HN 0.434 nan 8.230 nan 0.000 0.433 2241 S N -1.584 114.113 115.700 -0.004 0.000 2.442 2241 S HA -0.241 4.230 4.470 0.001 0.000 0.236 2241 S C 1.622 176.213 174.600 -0.015 0.000 1.007 2241 S CA 0.954 59.151 58.200 -0.005 0.000 0.965 2241 S CB -0.233 62.967 63.200 -0.001 0.000 0.773 2241 S HN 0.579 nan 8.310 nan 0.000 0.504 2242 Q N -0.247 119.534 119.800 -0.031 0.000 2.408 2242 Q HA 0.288 4.629 4.340 0.001 0.000 0.205 2242 Q C 1.777 177.722 176.000 -0.092 0.000 0.919 2242 Q CA 0.026 55.790 55.803 -0.066 0.000 0.932 2242 Q CB -0.121 28.567 28.738 -0.084 0.000 1.058 2242 Q HN 0.435 nan 8.270 nan 0.000 0.517 2243 L N 1.538 122.728 121.223 -0.056 0.000 1.989 2243 L HA -0.230 4.110 4.340 0.001 0.000 0.211 2243 L C 2.160 179.009 176.870 -0.035 0.000 1.071 2243 L CA 2.006 56.815 54.840 -0.052 0.000 0.749 2243 L CB -0.483 41.568 42.059 -0.012 0.000 0.890 2243 L HN 0.224 nan 8.230 nan 0.000 0.431 2244 E N -1.002 119.215 120.200 0.028 0.000 2.058 2244 E HA -0.226 4.124 4.350 0.001 0.000 0.194 2244 E C 2.066 178.703 176.600 0.061 0.000 0.997 2244 E CA 1.288 57.755 56.400 0.110 0.000 0.801 2244 E CB -0.516 29.284 29.700 0.167 0.000 0.746 2244 E HN 0.624 nan 8.360 nan 0.000 0.450 2245 G N 1.229 110.031 108.800 0.004 0.000 2.440 2245 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 2245 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 2245 G C 1.614 176.447 174.900 -0.111 0.000 1.154 2245 G CA 0.935 46.021 45.100 -0.023 0.000 0.767 2245 G HN 0.271 nan 8.290 nan 0.000 0.552 2246 I N 0.373 120.789 120.570 -0.256 0.000 2.315 2246 I HA -0.083 4.087 4.170 0.001 0.000 0.248 2246 I C 2.640 178.666 176.117 -0.151 0.000 1.117 2246 I CA 0.638 61.706 61.300 -0.385 0.000 1.404 2246 I CB -0.155 37.563 38.000 -0.470 0.000 1.071 2246 I HN 0.164 nan 8.210 nan 0.000 0.419 2247 I N 0.589 121.061 120.570 -0.163 0.000 2.179 2247 I HA -0.283 3.887 4.170 0.001 0.000 0.242 2247 I C 2.618 178.588 176.117 -0.246 0.000 1.088 2247 I CA 1.292 62.439 61.300 -0.255 0.000 1.357 2247 I CB -0.318 37.400 38.000 -0.470 0.000 1.051 2247 I HN 0.215 nan 8.210 nan 0.000 0.409 2248 E N 1.609 121.740 120.200 -0.114 0.000 2.085 2248 E HA -0.223 4.127 4.350 0.001 0.000 0.194 2248 E C 2.085 178.724 176.600 0.064 0.000 0.994 2248 E CA 1.884 58.333 56.400 0.081 0.000 0.801 2248 E CB -0.225 29.604 29.700 0.215 0.000 0.743 2248 E HN 0.412 nan 8.360 nan 0.000 0.453 2249 A N 1.193 124.065 122.820 0.086 0.000 1.877 2249 A HA -0.148 4.172 4.320 0.001 0.000 0.216 2249 A C 2.407 180.053 177.584 0.104 0.000 1.186 2249 A CA 1.904 54.037 52.037 0.159 0.000 0.620 2249 A CB -1.056 18.183 19.000 0.398 0.000 0.822 2249 A HN 0.540 nan 8.150 nan 0.000 0.443 2250 I N -2.863 117.750 120.570 0.071 0.000 2.546 2250 I HA -0.100 4.070 4.170 0.001 0.000 0.255 2250 I C 2.011 178.044 176.117 -0.139 0.000 1.163 2250 I CA 1.092 62.391 61.300 -0.001 0.000 1.457 2250 I CB -0.393 37.622 38.000 0.025 0.000 1.092 2250 I HN 0.201 nan 8.210 nan 0.000 0.434 2251 L N 1.049 122.182 121.223 -0.150 0.000 2.109 2251 L HA -0.089 4.252 4.340 0.001 0.000 0.207 2251 L C 2.641 179.457 176.870 -0.090 0.000 1.086 2251 L CA 1.368 56.099 54.840 -0.181 0.000 0.760 2251 L CB -0.543 41.459 42.059 -0.096 0.000 0.910 2251 L HN 0.253 nan 8.230 nan 0.000 0.437 2252 E N 0.446 120.630 120.200 -0.026 0.000 2.051 2252 E HA -0.209 4.142 4.350 0.001 0.000 0.192 2252 E C 2.276 178.860 176.600 -0.026 0.000 0.991 2252 E CA 1.232 57.628 56.400 -0.007 0.000 0.799 2252 E CB -0.056 29.658 29.700 0.024 0.000 0.748 2252 E HN 0.440 nan 8.360 nan 0.000 0.449 2253 I N 0.713 121.269 120.570 -0.024 0.000 2.226 2253 I HA -0.275 3.896 4.170 0.001 0.000 0.245 2253 I C 2.721 178.818 176.117 -0.035 0.000 1.100 2253 I CA 1.026 62.312 61.300 -0.023 0.000 1.374 2253 I CB -0.254 37.737 38.000 -0.015 0.000 1.057 2253 I HN 0.048 nan 8.210 nan 0.000 0.413 2254 R N 1.094 121.554 120.500 -0.068 0.000 2.083 2254 R HA -0.239 4.102 4.340 0.001 0.000 0.237 2254 R C 2.364 178.594 176.300 -0.117 0.000 1.137 2254 R CA 1.720 57.777 56.100 -0.072 0.000 0.951 2254 R CB -0.294 29.878 30.300 -0.215 0.000 0.851 2254 R HN 0.258 nan 8.270 nan 0.000 0.434 2255 E N 0.261 120.398 120.200 -0.105 0.000 2.070 2255 E HA -0.174 4.177 4.350 0.001 0.000 0.197 2255 E C 1.871 178.401 176.600 -0.117 0.000 1.004 2255 E CA 1.899 58.239 56.400 -0.099 0.000 0.805 2255 E CB -0.037 29.627 29.700 -0.059 0.000 0.744 2255 E HN 0.304 nan 8.360 nan 0.000 0.451 2256 V N 0.859 120.724 119.914 -0.082 0.000 2.407 2256 V HA -0.145 3.975 4.120 0.001 0.000 0.245 2256 V C 2.510 178.564 176.094 -0.066 0.000 1.041 2256 V CA 1.602 63.866 62.300 -0.059 0.000 1.040 2256 V CB -0.695 31.122 31.823 -0.009 0.000 0.671 2256 V HN 0.331 nan 8.190 nan 0.000 0.455 2257 A N 0.855 123.633 122.820 -0.070 0.000 1.929 2257 A HA -0.151 4.170 4.320 0.001 0.000 0.216 2257 A C 2.499 179.798 177.584 -0.475 0.000 1.176 2257 A CA 1.732 53.741 52.037 -0.045 0.000 0.628 2257 A CB -0.733 18.313 19.000 0.077 0.000 0.816 2257 A HN 0.662 nan 8.150 nan 0.000 0.444 2258 S N 0.480 115.664 115.700 -0.860 0.000 2.423 2258 S HA -0.296 4.175 4.470 0.001 0.000 0.238 2258 S C 1.828 175.909 174.600 -0.865 0.000 1.028 2258 S CA 1.760 59.045 58.200 -1.526 0.000 1.000 2258 S CB -0.492 62.292 63.200 -0.693 0.000 0.797 2258 S HN 0.665 nan 8.310 nan 0.000 0.487 2259 K N 0.518 120.556 120.400 -0.604 0.000 2.152 2259 K HA -0.135 4.185 4.320 0.001 0.000 0.206 2259 K C 0.874 177.074 176.600 -0.667 0.000 1.048 2259 K CA 1.470 57.380 56.287 -0.630 0.000 0.933 2259 K CB -0.230 31.791 32.500 -0.799 0.000 0.721 2259 K HN 0.658 nan 8.250 nan 0.000 0.447 2260 Y N -0.817 119.368 120.300 -0.191 0.000 2.458 2260 Y HA 0.139 4.689 4.550 0.001 0.000 0.256 2260 Y C -0.285 175.667 175.900 0.086 0.000 1.159 2260 Y CA -1.029 57.042 58.100 -0.048 0.000 1.261 2260 Y CB 0.186 38.631 38.460 -0.024 0.000 1.119 2260 Y HN -0.137 nan 8.280 nan 0.000 0.524 2261 Y N 2.120 122.463 120.300 0.073 0.000 2.620 2261 Y HA 0.062 4.613 4.550 0.001 0.000 0.330 2261 Y C 0.740 176.660 175.900 0.032 0.000 1.186 2261 Y CA -1.019 57.109 58.100 0.047 0.000 1.467 2261 Y CB -0.086 38.389 38.460 0.025 0.000 1.262 2261 Y HN 0.129 nan 8.280 nan 0.000 0.550 2262 E N 0.683 120.990 120.200 0.179 0.000 2.398 2262 E HA 0.101 4.452 4.350 0.001 0.000 0.263 2262 E C -0.107 176.533 176.600 0.067 0.000 1.046 2262 E CA -0.019 56.438 56.400 0.095 0.000 0.908 2262 E CB 0.232 29.965 29.700 0.055 0.000 0.963 2262 E HN 0.429 nan 8.360 nan 0.000 0.431 2263 T N 4.009 118.590 114.554 0.045 0.000 2.793 2263 T HA 0.114 4.464 4.350 0.001 0.000 0.289 2263 T C 0.958 175.662 174.700 0.006 0.000 0.956 2263 T CA -0.013 62.104 62.100 0.028 0.000 1.177 2263 T CB -0.409 68.471 68.868 0.020 0.000 0.897 2263 T HN 0.551 nan 8.240 nan 0.000 0.533 2264 I N 0.000 120.568 120.570 -0.003 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 2264 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494