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 2nwr_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX 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 0.000 176.683 176.600 0.139 0.000 0.988 2003 K CA 0.000 56.360 56.287 0.121 0.000 0.838 2003 K CB 0.000 32.566 32.500 0.110 0.000 1.064 2004 F N 1.704 121.660 119.950 0.010 0.000 2.608 2004 F HA 0.164 4.691 4.527 0.001 0.000 0.380 2004 F C -0.177 175.578 175.800 -0.076 0.000 1.083 2004 F CA -0.291 57.699 58.000 -0.017 0.000 1.266 2004 F CB 0.494 39.475 39.000 -0.032 0.000 1.076 2004 F HN 0.428 nan 8.300 nan 0.000 0.574 2005 L N 6.794 127.636 121.223 -0.635 0.000 2.289 2005 L HA 0.511 4.852 4.340 0.001 0.000 0.285 2005 L C -1.104 175.393 176.870 -0.622 0.000 1.049 2005 L CA -0.376 54.166 54.840 -0.496 0.000 0.804 2005 L CB 1.462 43.304 42.059 -0.361 0.000 1.195 2005 L HN 0.375 nan 8.230 nan 0.000 0.428 2006 V N 6.816 126.446 119.914 -0.473 0.000 2.380 2006 V HA 0.412 4.532 4.120 0.001 0.000 0.286 2006 V C -0.104 175.828 176.094 -0.270 0.000 1.015 2006 V CA -0.428 61.629 62.300 -0.404 0.000 0.834 2006 V CB 1.440 32.900 31.823 -0.606 0.000 1.009 2006 V HN 0.538 nan 8.190 nan 0.000 0.428 2007 I N 4.788 125.221 120.570 -0.228 0.000 2.312 2007 I HA 0.768 4.938 4.170 0.001 0.000 0.290 2007 I C 0.367 176.259 176.117 -0.375 0.000 1.008 2007 I CA -0.025 61.126 61.300 -0.249 0.000 1.226 2007 I CB 1.364 39.238 38.000 -0.210 0.000 1.371 2007 I HN 0.683 nan 8.210 nan 0.000 0.468 2008 A N 4.689 127.316 122.820 -0.322 0.000 2.556 2008 A HA 1.013 5.334 4.320 0.001 0.000 0.294 2008 A C -0.377 176.894 177.584 -0.521 0.000 1.091 2008 A CA -0.313 51.498 52.037 -0.375 0.000 0.704 2008 A CB 2.036 20.943 19.000 -0.155 0.000 1.300 2008 A HN 0.883 nan 8.150 nan 0.000 0.406 2009 G N -0.131 108.348 108.800 -0.535 0.000 2.337 2009 G HA2 0.505 4.466 3.960 0.001 0.000 0.298 2009 G HA3 0.505 4.466 3.960 0.001 0.000 0.298 2009 G C -3.576 171.081 174.900 -0.406 0.000 1.335 2009 G CA -0.271 44.399 45.100 -0.716 0.000 0.875 2009 G HN 0.714 nan 8.290 nan 0.000 0.579 2010 P HA 0.170 nan 4.420 nan 0.000 0.275 2010 P C 0.582 177.862 177.300 -0.033 0.000 1.227 2010 P CA -0.112 62.942 63.100 -0.077 0.000 0.781 2010 P CB 1.673 33.361 31.700 -0.020 0.000 0.906 2011 N N 2.700 121.423 118.700 0.037 0.000 2.037 2011 N HA -0.175 4.565 4.740 0.001 0.000 0.196 2011 N C 0.363 175.949 175.510 0.127 0.000 1.034 2011 N CA 1.829 54.926 53.050 0.079 0.000 0.861 2011 N CB -0.227 38.319 38.487 0.097 0.000 1.039 2011 N HN 0.597 nan 8.380 nan 0.000 0.427 2012 A N -0.700 122.233 122.820 0.188 0.000 2.380 2012 A HA 0.553 4.873 4.320 0.001 0.000 0.315 2012 A C -0.521 177.254 177.584 0.317 0.000 1.101 2012 A CA -0.688 51.515 52.037 0.275 0.000 0.771 2012 A CB 0.946 20.208 19.000 0.436 0.000 1.287 2012 A HN 0.259 nan 8.150 nan 0.000 0.436 2013 I N 2.282 123.075 120.570 0.372 0.000 2.352 2013 I HA 0.010 4.181 4.170 0.001 0.000 0.303 2013 I C 0.947 177.389 176.117 0.542 0.000 1.194 2013 I CA 0.313 61.861 61.300 0.412 0.000 1.518 2013 I CB -0.252 38.010 38.000 0.436 0.000 1.489 2013 I HN 0.859 nan 8.210 nan 0.000 0.702 2014 E N 2.698 123.140 120.200 0.403 0.000 2.204 2014 E HA -0.100 4.251 4.350 0.001 0.000 0.194 2014 E C 0.358 177.172 176.600 0.358 0.000 0.989 2014 E CA 0.722 57.324 56.400 0.335 0.000 0.824 2014 E CB 0.180 29.936 29.700 0.093 0.000 0.756 2014 E HN 0.733 nan 8.360 nan 0.000 0.477 2015 S N -1.274 114.608 115.700 0.304 0.000 2.608 2015 S HA 0.020 4.491 4.470 0.001 0.000 0.285 2015 S C 0.271 175.002 174.600 0.219 0.000 1.108 2015 S CA -0.692 57.663 58.200 0.258 0.000 0.858 2015 S CB 0.948 64.226 63.200 0.131 0.000 1.077 2015 S HN 0.210 nan 8.310 nan 0.000 0.450 2016 E N 1.077 121.375 120.200 0.164 0.000 2.204 2016 E HA -0.199 4.151 4.350 0.001 0.000 0.195 2016 E C 1.408 178.032 176.600 0.040 0.000 0.990 2016 E CA 1.289 57.698 56.400 0.014 0.000 0.821 2016 E CB -0.199 29.418 29.700 -0.138 0.000 0.750 2016 E HN 0.786 nan 8.360 nan 0.000 0.477 2017 E N 0.717 120.952 120.200 0.059 0.000 2.051 2017 E HA -0.226 4.125 4.350 0.001 0.000 0.192 2017 E C 2.097 178.723 176.600 0.044 0.000 0.991 2017 E CA 1.150 57.576 56.400 0.044 0.000 0.799 2017 E CB -0.093 29.632 29.700 0.042 0.000 0.748 2017 E HN 0.349 nan 8.360 nan 0.000 0.449 2018 L N 1.060 122.313 121.223 0.050 0.000 2.042 2018 L HA -0.187 4.153 4.340 0.001 0.000 0.210 2018 L C 2.160 179.063 176.870 0.055 0.000 1.076 2018 L CA 1.612 56.459 54.840 0.013 0.000 0.749 2018 L CB -0.428 41.631 42.059 -0.001 0.000 0.893 2018 L HN 0.243 nan 8.230 nan 0.000 0.432 2019 L N -1.254 120.043 121.223 0.123 0.000 2.046 2019 L HA -0.247 4.093 4.340 0.001 0.000 0.208 2019 L C 2.568 179.488 176.870 0.083 0.000 1.077 2019 L CA 1.382 56.347 54.840 0.208 0.000 0.747 2019 L CB -0.716 41.435 42.059 0.154 0.000 0.896 2019 L HN 0.348 nan 8.230 nan 0.000 0.432 2020 L N -0.187 121.080 121.223 0.073 0.000 2.056 2020 L HA -0.218 4.123 4.340 0.001 0.000 0.207 2020 L C 2.720 179.656 176.870 0.111 0.000 1.078 2020 L CA 1.295 56.232 54.840 0.161 0.000 0.749 2020 L CB -0.496 41.638 42.059 0.125 0.000 0.901 2020 L HN 0.262 nan 8.230 nan 0.000 0.433 2021 K N 0.123 120.552 120.400 0.049 0.000 2.057 2021 K HA -0.142 4.179 4.320 0.001 0.000 0.207 2021 K C 1.990 178.565 176.600 -0.042 0.000 1.049 2021 K CA 1.310 57.599 56.287 0.003 0.000 0.931 2021 K CB 0.077 32.569 32.500 -0.013 0.000 0.714 2021 K HN 0.072 nan 8.250 nan 0.000 0.440 2022 V N 0.380 120.292 119.914 -0.003 0.000 2.453 2022 V HA -0.120 4.000 4.120 0.001 0.000 0.247 2022 V C 2.334 178.433 176.094 0.008 0.000 1.048 2022 V CA 1.983 64.297 62.300 0.023 0.000 1.049 2022 V CB -0.619 31.262 31.823 0.097 0.000 0.672 2022 V HN 0.568 nan 8.190 nan 0.000 0.457 2023 G N -0.714 108.048 108.800 -0.063 0.000 2.432 2023 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 2023 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 2023 G C 1.505 175.722 174.900 -1.137 0.000 1.135 2023 G CA 0.885 45.679 45.100 -0.510 0.000 0.767 2023 G HN 0.564 nan 8.290 nan 0.000 0.550 2024 E N 0.140 119.785 120.200 -0.925 0.000 2.051 2024 E HA -0.171 4.180 4.350 0.001 0.000 0.192 2024 E C 2.307 178.666 176.600 -0.402 0.000 0.991 2024 E CA 1.339 57.316 56.400 -0.704 0.000 0.799 2024 E CB -0.064 29.524 29.700 -0.187 0.000 0.748 2024 E HN 0.404 nan 8.360 nan 0.000 0.449 2025 E N 0.855 120.896 120.200 -0.265 0.000 2.047 2025 E HA -0.136 4.215 4.350 0.001 0.000 0.191 2025 E C 1.965 178.432 176.600 -0.221 0.000 0.987 2025 E CA 1.209 57.502 56.400 -0.179 0.000 0.799 2025 E CB -0.297 29.338 29.700 -0.109 0.000 0.752 2025 E HN 0.369 nan 8.360 nan 0.000 0.449 2026 I N 0.329 120.757 120.570 -0.238 0.000 2.361 2026 I HA -0.239 3.931 4.170 0.001 0.000 0.251 2026 I C 2.220 178.086 176.117 -0.418 0.000 1.133 2026 I CA 1.111 62.243 61.300 -0.281 0.000 1.413 2026 I CB -0.269 37.681 38.000 -0.084 0.000 1.073 2026 I HN 0.086 nan 8.210 nan 0.000 0.424 2027 K N 1.525 121.691 120.400 -0.390 0.000 2.057 2027 K HA -0.174 4.146 4.320 0.001 0.000 0.206 2027 K C 2.183 178.637 176.600 -0.242 0.000 1.050 2027 K CA 1.429 57.536 56.287 -0.300 0.000 0.935 2027 K CB -0.292 32.026 32.500 -0.305 0.000 0.715 2027 K HN 0.083 nan 8.250 nan 0.000 0.439 2028 R N -0.219 120.144 120.500 -0.228 0.000 2.070 2028 R HA -0.085 4.255 4.340 0.001 0.000 0.233 2028 R C 1.851 178.030 176.300 -0.201 0.000 1.137 2028 R CA 1.487 57.486 56.100 -0.169 0.000 0.945 2028 R CB -0.302 29.919 30.300 -0.132 0.000 0.845 2028 R HN 0.145 nan 8.270 nan 0.000 0.430 2029 L N 0.741 121.815 121.223 -0.248 0.000 2.131 2029 L HA -0.127 4.214 4.340 0.001 0.000 0.210 2029 L C 2.497 179.191 176.870 -0.294 0.000 1.092 2029 L CA 1.658 56.393 54.840 -0.176 0.000 0.759 2029 L CB -1.496 40.491 42.059 -0.120 0.000 0.903 2029 L HN 0.286 nan 8.230 nan 0.000 0.435 2030 S N -0.628 114.713 115.700 -0.599 0.000 2.383 2030 S HA -0.170 4.301 4.470 0.001 0.000 0.229 2030 S C 1.805 176.386 174.600 -0.032 0.000 1.030 2030 S CA 1.163 59.148 58.200 -0.360 0.000 1.002 2030 S CB 0.082 63.120 63.200 -0.271 0.000 0.829 2030 S HN 0.418 nan 8.310 nan 0.000 0.467 2031 E N 0.893 121.040 120.200 -0.090 0.000 2.158 2031 E HA -0.009 4.342 4.350 0.001 0.000 0.191 2031 E C 1.987 178.535 176.600 -0.087 0.000 0.982 2031 E CA 0.672 57.040 56.400 -0.053 0.000 0.823 2031 E CB -0.271 29.391 29.700 -0.065 0.000 0.766 2031 E HN 0.606 nan 8.360 nan 0.000 0.468 2032 K N -0.225 120.060 120.400 -0.191 0.000 2.167 2032 K HA -0.011 4.310 4.320 0.001 0.000 0.203 2032 K C 0.007 176.328 176.600 -0.466 0.000 1.052 2032 K CA 0.536 56.580 56.287 -0.405 0.000 0.956 2032 K CB 0.174 32.276 32.500 -0.664 0.000 0.735 2032 K HN -0.059 nan 8.250 nan 0.000 0.451 2033 F N 1.476 121.501 119.950 0.125 0.000 2.366 2033 F HA 0.302 4.829 4.527 0.001 0.000 0.357 2033 F C 0.555 176.484 175.800 0.215 0.000 1.107 2033 F CA -0.926 57.189 58.000 0.191 0.000 1.208 2033 F CB 1.372 40.554 39.000 0.304 0.000 1.464 2033 F HN -0.251 nan 8.300 nan 0.000 0.501 2034 K N 0.579 121.129 120.400 0.251 0.000 2.442 2034 K HA -0.127 4.194 4.320 0.001 0.000 0.198 2034 K C 1.479 178.195 176.600 0.194 0.000 1.042 2034 K CA 0.637 57.042 56.287 0.197 0.000 0.958 2034 K CB 0.135 32.705 32.500 0.116 0.000 0.766 2034 K HN 0.430 nan 8.250 nan 0.000 0.474 2035 E N 0.707 121.035 120.200 0.213 0.000 2.494 2035 E HA 0.008 4.358 4.350 0.001 0.000 0.193 2035 E C -0.601 176.097 176.600 0.164 0.000 1.074 2035 E CA 0.011 56.509 56.400 0.164 0.000 0.867 2035 E CB 0.294 30.080 29.700 0.143 0.000 0.924 2035 E HN -0.162 nan 8.360 nan 0.000 0.502 2036 V N 0.652 120.681 119.914 0.192 0.000 2.735 2036 V HA 0.293 4.413 4.120 0.001 0.000 0.310 2036 V C -0.512 175.618 176.094 0.061 0.000 1.061 2036 V CA -1.047 61.298 62.300 0.076 0.000 0.913 2036 V CB 1.988 33.746 31.823 -0.108 0.000 1.005 2036 V HN 0.027 nan 8.190 nan 0.000 0.428 2037 E N 2.988 123.162 120.200 -0.043 0.000 2.055 2037 E HA 0.434 4.785 4.350 0.001 0.000 0.274 2037 E C -1.495 175.047 176.600 -0.097 0.000 0.949 2037 E CA -0.447 55.963 56.400 0.016 0.000 0.775 2037 E CB 0.640 30.351 29.700 0.019 0.000 1.097 2037 E HN 0.491 nan 8.360 nan 0.000 0.404 2038 F N 2.951 122.927 119.950 0.044 0.000 2.384 2038 F HA 0.313 4.841 4.527 0.001 0.000 0.338 2038 F C 0.062 175.872 175.800 0.017 0.000 1.103 2038 F CA -0.491 57.523 58.000 0.022 0.000 1.157 2038 F CB 1.410 40.438 39.000 0.047 0.000 1.167 2038 F HN 0.133 nan 8.300 nan 0.000 0.529 2039 V N 4.411 124.411 119.914 0.143 0.000 2.525 2039 V HA 0.224 4.344 4.120 0.001 0.000 0.299 2039 V C -0.814 175.339 176.094 0.097 0.000 1.034 2039 V CA -1.045 61.311 62.300 0.093 0.000 0.863 2039 V CB 1.655 33.466 31.823 -0.020 0.000 0.999 2039 V HN 0.546 nan 8.190 nan 0.000 0.423 2040 F N 5.866 125.824 119.950 0.013 0.000 2.438 2040 F HA 0.527 5.055 4.527 0.001 0.000 0.356 2040 F C 0.271 176.053 175.800 -0.031 0.000 1.099 2040 F CA 0.261 58.253 58.000 -0.013 0.000 1.185 2040 F CB 0.502 39.506 39.000 0.006 0.000 1.115 2040 F HN 0.383 nan 8.300 nan 0.000 0.526 2041 K N 4.703 124.772 120.400 -0.551 0.000 2.316 2041 K HA 0.608 4.929 4.320 0.001 0.000 0.251 2041 K C -1.656 174.708 176.600 -0.393 0.000 0.934 2041 K CA -0.467 55.622 56.287 -0.330 0.000 0.802 2041 K CB 1.862 34.156 32.500 -0.344 0.000 1.171 2041 K HN 0.682 nan 8.250 nan 0.000 0.426 2042 S N 1.253 116.912 115.700 -0.069 0.000 2.579 2042 S HA 0.291 4.762 4.470 0.001 0.000 0.290 2042 S C -1.731 172.944 174.600 0.125 0.000 1.123 2042 S CA -0.540 57.679 58.200 0.032 0.000 0.894 2042 S CB 0.991 64.281 63.200 0.150 0.000 1.095 2042 S HN 0.505 nan 8.310 nan 0.000 0.450 2043 S N 3.564 119.330 115.700 0.110 0.000 2.499 2043 S HA 0.349 4.820 4.470 0.001 0.000 0.279 2043 S C 0.893 175.560 174.600 0.113 0.000 1.219 2043 S CA -0.575 57.653 58.200 0.047 0.000 1.062 2043 S CB 0.244 63.446 63.200 0.004 0.000 0.978 2043 S HN 0.690 nan 8.310 nan 0.000 0.489 2044 F N 0.763 120.816 119.950 0.172 0.000 2.558 2044 F HA 0.391 4.919 4.527 0.001 0.000 0.298 2044 F C 0.419 176.290 175.800 0.117 0.000 1.119 2044 F CA -0.226 57.879 58.000 0.177 0.000 1.451 2044 F CB -0.073 39.023 39.000 0.160 0.000 1.091 2044 F HN 0.459 nan 8.300 nan 0.000 0.563 2045 D N 0.094 120.311 120.400 -0.304 0.000 2.937 2045 D HA 0.238 4.878 4.640 0.001 0.000 0.215 2045 D C -1.538 174.543 176.300 -0.365 0.000 1.274 2045 D CA -0.652 53.180 54.000 -0.280 0.000 0.869 2045 D CB 1.279 41.934 40.800 -0.240 0.000 1.675 2045 D HN -0.176 nan 8.370 nan 0.000 0.538 2046 K N 2.885 123.114 120.400 -0.284 0.000 2.244 2046 K HA 0.535 4.855 4.320 0.001 0.000 0.263 2046 K C 0.291 176.728 176.600 -0.272 0.000 1.103 2046 K CA -0.384 55.778 56.287 -0.209 0.000 0.966 2046 K CB 0.991 33.434 32.500 -0.094 0.000 1.429 2046 K HN 0.454 nan 8.250 nan 0.000 0.434 2047 A N 2.659 125.215 122.820 -0.440 0.000 2.238 2047 A HA -0.074 4.246 4.320 0.001 0.000 0.208 2047 A C 0.995 178.503 177.584 -0.126 0.000 1.177 2047 A CA 0.592 52.410 52.037 -0.364 0.000 0.804 2047 A CB -0.575 18.031 19.000 -0.657 0.000 0.823 2047 A HN 0.808 nan 8.150 nan 0.000 0.482 2048 N N -1.398 117.272 118.700 -0.049 0.000 2.351 2048 N HA 0.120 4.861 4.740 0.001 0.000 0.254 2048 N C -0.251 175.313 175.510 0.090 0.000 1.241 2048 N CA -0.739 52.361 53.050 0.083 0.000 0.883 2048 N CB 0.464 39.081 38.487 0.215 0.000 1.202 2048 N HN -0.062 nan 8.380 nan 0.000 0.512 2049 R N 0.607 121.123 120.500 0.027 0.000 2.756 2049 R HA 0.070 4.411 4.340 0.001 0.000 0.264 2049 R C 0.917 177.246 176.300 0.048 0.000 1.026 2049 R CA 0.087 56.211 56.100 0.040 0.000 1.121 2049 R CB 0.480 30.788 30.300 0.014 0.000 0.999 2049 R HN 0.200 nan 8.270 nan 0.000 0.449 2050 S N 0.297 116.032 115.700 0.058 0.000 2.371 2050 S HA -0.084 4.387 4.470 0.001 0.000 0.224 2050 S C 1.030 175.636 174.600 0.011 0.000 1.029 2050 S CA 0.923 59.150 58.200 0.044 0.000 0.978 2050 S CB 0.059 63.291 63.200 0.054 0.000 0.833 2050 S HN 0.638 nan 8.310 nan 0.000 0.466 2051 S N 0.072 115.779 115.700 0.012 0.000 2.525 2051 S HA 0.393 4.864 4.470 0.001 0.000 0.290 2051 S C 0.702 175.264 174.600 -0.063 0.000 1.152 2051 S CA -0.696 57.493 58.200 -0.017 0.000 1.072 2051 S CB 0.984 64.203 63.200 0.032 0.000 1.027 2051 S HN 0.174 nan 8.310 nan 0.000 0.500 2052 I N 3.880 124.345 120.570 -0.176 0.000 2.614 2052 I HA 0.016 4.187 4.170 0.001 0.000 0.258 2052 I C 1.278 177.268 176.117 -0.211 0.000 1.189 2052 I CA 1.704 62.864 61.300 -0.233 0.000 1.462 2052 I CB -0.283 37.510 38.000 -0.345 0.000 1.092 2052 I HN 0.846 nan 8.210 nan 0.000 0.442 2053 H N -1.201 117.876 119.070 0.010 0.000 2.539 2053 H HA 0.307 4.864 4.556 0.001 0.000 0.269 2053 H C 0.942 176.290 175.328 0.034 0.000 0.980 2053 H CA -0.206 55.852 56.048 0.018 0.000 1.152 2053 H CB 0.129 29.902 29.762 0.018 0.000 1.407 2053 H HN 0.168 nan 8.280 nan 0.000 0.564 2054 S N 0.471 116.240 115.700 0.114 0.000 2.652 2054 S HA 0.096 4.567 4.470 0.001 0.000 0.270 2054 S C -0.276 174.397 174.600 0.121 0.000 1.243 2054 S CA -0.800 57.471 58.200 0.119 0.000 0.999 2054 S CB 0.738 63.993 63.200 0.092 0.000 0.973 2054 S HN 0.239 nan 8.310 nan 0.000 0.544 2055 F N 1.952 121.906 119.950 0.008 0.000 2.578 2055 F HA 0.161 4.688 4.527 0.001 0.000 0.376 2055 F C 1.300 177.085 175.800 -0.025 0.000 1.085 2055 F CA 0.354 58.345 58.000 -0.015 0.000 1.260 2055 F CB 0.365 39.361 39.000 -0.007 0.000 1.095 2055 F HN 0.558 nan 8.300 nan 0.000 0.573 2056 R N 3.094 123.097 120.500 -0.828 0.000 2.167 2056 R HA 0.463 4.804 4.340 0.001 0.000 0.195 2056 R C 0.576 176.305 176.300 -0.952 0.000 1.027 2056 R CA 0.205 55.910 56.100 -0.659 0.000 1.114 2056 R CB 0.271 30.350 30.300 -0.368 0.000 1.075 2056 R HN 0.901 nan 8.270 nan 0.000 0.538 2057 G N -0.621 107.373 108.800 -1.344 0.000 2.357 2057 G HA2 -0.081 3.879 3.960 0.001 0.000 0.289 2057 G HA3 -0.081 3.879 3.960 0.001 0.000 0.289 2057 G C -1.160 173.415 174.900 -0.542 0.000 1.302 2057 G CA -0.839 43.757 45.100 -0.839 0.000 0.936 2057 G HN 0.318 nan 8.290 nan 0.000 0.513 2058 H N 0.269 119.344 119.070 0.007 0.000 2.505 2058 H HA 0.519 5.076 4.556 0.001 0.000 0.286 2058 H C 1.130 176.505 175.328 0.078 0.000 1.072 2058 H CA 1.056 57.081 56.048 -0.039 0.000 1.141 2058 H CB 0.588 30.137 29.762 -0.355 0.000 1.550 2058 H HN 1.786 nan 8.280 nan 0.000 0.547 2059 G N 0.177 109.105 108.800 0.214 0.000 2.662 2059 G HA2 -0.233 3.728 3.960 0.001 0.000 0.686 2059 G HA3 -0.233 3.728 3.960 0.001 0.000 0.686 2059 G C 0.234 175.296 174.900 0.270 0.000 1.271 2059 G CA -0.286 44.958 45.100 0.240 0.000 0.816 2059 G HN 0.215 nan 8.290 nan 0.000 0.608 2060 L N 0.400 121.691 121.223 0.113 0.000 2.046 2060 L HA 0.101 4.442 4.340 0.001 0.000 0.208 2060 L C 2.553 179.326 176.870 -0.162 0.000 1.077 2060 L CA 3.053 57.688 54.840 -0.343 0.000 0.747 2060 L CB -0.773 41.014 42.059 -0.453 0.000 0.896 2060 L HN 0.806 nan 8.230 nan 0.000 0.432 2061 E N -1.467 118.739 120.200 0.009 0.000 2.031 2061 E HA -0.303 4.047 4.350 0.001 0.000 0.193 2061 E C 2.143 178.792 176.600 0.082 0.000 0.994 2061 E CA 1.823 58.246 56.400 0.038 0.000 0.800 2061 E CB -0.468 29.278 29.700 0.076 0.000 0.752 2061 E HN 0.617 nan 8.360 nan 0.000 0.447 2062 Y N 1.105 121.435 120.300 0.049 0.000 2.224 2062 Y HA -0.177 4.374 4.550 0.001 0.000 0.289 2062 Y C 2.239 178.190 175.900 0.085 0.000 1.146 2062 Y CA 1.827 59.970 58.100 0.071 0.000 1.182 2062 Y CB -0.520 38.012 38.460 0.120 0.000 0.983 2062 Y HN 0.001 nan 8.280 nan 0.000 0.524 2063 G N -0.715 108.229 108.800 0.240 0.000 2.404 2063 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 2063 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 2063 G C 1.658 176.592 174.900 0.058 0.000 1.174 2063 G CA 1.244 46.470 45.100 0.211 0.000 0.780 2063 G HN 0.342 nan 8.290 nan 0.000 0.537 2064 V N 0.856 120.754 119.914 -0.027 0.000 2.490 2064 V HA -0.135 3.986 4.120 0.001 0.000 0.250 2064 V C 2.641 178.701 176.094 -0.057 0.000 1.061 2064 V CA 2.159 64.432 62.300 -0.046 0.000 1.064 2064 V CB -0.312 31.455 31.823 -0.093 0.000 0.670 2064 V HN 0.451 nan 8.190 nan 0.000 0.461 2065 K N 0.532 120.875 120.400 -0.095 0.000 2.001 2065 K HA -0.150 4.171 4.320 0.001 0.000 0.208 2065 K C 2.231 178.731 176.600 -0.167 0.000 1.048 2065 K CA 1.552 57.760 56.287 -0.131 0.000 0.932 2065 K CB -0.342 32.059 32.500 -0.165 0.000 0.715 2065 K HN 0.395 nan 8.250 nan 0.000 0.437 2066 A N 1.361 124.036 122.820 -0.241 0.000 1.902 2066 A HA -0.112 4.209 4.320 0.001 0.000 0.217 2066 A C 2.133 179.655 177.584 -0.104 0.000 1.181 2066 A CA 1.281 53.192 52.037 -0.211 0.000 0.623 2066 A CB -0.600 18.252 19.000 -0.247 0.000 0.818 2066 A HN 0.342 nan 8.150 nan 0.000 0.443 2067 L N -1.330 119.870 121.223 -0.038 0.000 2.141 2067 L HA -0.126 4.215 4.340 0.001 0.000 0.209 2067 L C 2.777 179.618 176.870 -0.048 0.000 1.094 2067 L CA 1.413 56.251 54.840 -0.004 0.000 0.763 2067 L CB -0.418 41.694 42.059 0.089 0.000 0.908 2067 L HN 0.431 nan 8.230 nan 0.000 0.437 2068 R N 0.598 121.065 120.500 -0.054 0.000 2.096 2068 R HA -0.219 4.122 4.340 0.001 0.000 0.235 2068 R C 2.321 178.568 176.300 -0.089 0.000 1.127 2068 R CA 1.472 57.536 56.100 -0.059 0.000 0.968 2068 R CB 0.027 30.292 30.300 -0.058 0.000 0.861 2068 R HN 0.041 nan 8.270 nan 0.000 0.440 2069 K N 0.141 120.473 120.400 -0.114 0.000 2.057 2069 K HA -0.078 4.242 4.320 0.001 0.000 0.207 2069 K C 1.749 178.246 176.600 -0.172 0.000 1.049 2069 K CA 1.517 57.718 56.287 -0.143 0.000 0.931 2069 K CB -0.330 32.083 32.500 -0.145 0.000 0.714 2069 K HN 0.037 nan 8.250 nan 0.000 0.440 2070 V N 1.281 121.100 119.914 -0.159 0.000 2.295 2070 V HA -0.230 3.891 4.120 0.001 0.000 0.246 2070 V C 2.478 178.532 176.094 -0.067 0.000 1.049 2070 V CA 2.203 64.422 62.300 -0.134 0.000 1.024 2070 V CB -0.536 31.024 31.823 -0.439 0.000 0.648 2070 V HN 0.466 nan 8.190 nan 0.000 0.447 2071 K N 0.113 120.467 120.400 -0.076 0.000 2.097 2071 K HA -0.226 4.095 4.320 0.001 0.000 0.206 2071 K C 2.042 178.613 176.600 -0.049 0.000 1.049 2071 K CA 1.945 58.216 56.287 -0.028 0.000 0.933 2071 K CB -0.099 32.393 32.500 -0.013 0.000 0.717 2071 K HN 0.605 nan 8.250 nan 0.000 0.442 2072 E N 0.096 120.239 120.200 -0.094 0.000 2.112 2072 E HA -0.164 4.186 4.350 0.001 0.000 0.190 2072 E C 1.889 178.381 176.600 -0.181 0.000 0.979 2072 E CA 0.951 57.283 56.400 -0.112 0.000 0.814 2072 E CB 0.091 29.726 29.700 -0.109 0.000 0.762 2072 E HN 0.405 nan 8.360 nan 0.000 0.460 2073 E N -0.524 119.488 120.200 -0.312 0.000 2.230 2073 E HA -0.081 4.270 4.350 0.001 0.000 0.192 2073 E C 0.742 176.921 176.600 -0.702 0.000 0.987 2073 E CA 0.657 56.716 56.400 -0.569 0.000 0.841 2073 E CB 0.275 29.472 29.700 -0.838 0.000 0.783 2073 E HN 0.162 nan 8.360 nan 0.000 0.481 2074 F N -1.318 118.575 119.950 -0.094 0.000 2.784 2074 F HA 0.352 4.880 4.527 0.001 0.000 0.323 2074 F C 1.204 176.971 175.800 -0.056 0.000 1.085 2074 F CA 0.329 58.279 58.000 -0.082 0.000 1.196 2074 F CB 1.121 40.055 39.000 -0.111 0.000 1.053 2074 F HN 0.029 nan 8.300 nan 0.000 0.578 2075 G N 2.038 110.887 108.800 0.082 0.000 2.246 2075 G HA2 -0.290 3.670 3.960 0.001 0.000 0.273 2075 G HA3 -0.290 3.670 3.960 0.001 0.000 0.273 2075 G C -0.163 174.788 174.900 0.086 0.000 1.055 2075 G CA -0.010 45.126 45.100 0.060 0.000 0.851 2075 G HN 0.287 nan 8.290 nan 0.000 0.500 2076 L N -0.469 120.815 121.223 0.101 0.000 2.322 2076 L HA 0.466 4.806 4.340 0.001 0.000 0.279 2076 L C 1.083 178.016 176.870 0.106 0.000 1.036 2076 L CA -0.991 53.916 54.840 0.113 0.000 0.807 2076 L CB 1.248 43.380 42.059 0.120 0.000 1.226 2076 L HN 0.039 nan 8.230 nan 0.000 0.433 2077 K N 2.427 122.898 120.400 0.119 0.000 2.319 2077 K HA 0.368 4.688 4.320 0.001 0.000 0.265 2077 K C -0.636 176.042 176.600 0.131 0.000 1.000 2077 K CA -0.288 56.061 56.287 0.103 0.000 0.943 2077 K CB 0.822 33.375 32.500 0.089 0.000 0.950 2077 K HN 0.296 nan 8.250 nan 0.000 0.485 2078 I N 0.800 121.437 120.570 0.112 0.000 2.740 2078 I HA 0.298 4.469 4.170 0.001 0.000 0.303 2078 I C 0.096 176.277 176.117 0.106 0.000 1.044 2078 I CA -0.416 60.971 61.300 0.145 0.000 1.064 2078 I CB 1.850 39.927 38.000 0.129 0.000 1.249 2078 I HN 0.564 nan 8.210 nan 0.000 0.433 2079 T N 2.667 117.290 114.554 0.115 0.000 3.041 2079 T HA 0.590 4.940 4.350 0.001 0.000 0.321 2079 T C -1.035 173.719 174.700 0.091 0.000 1.184 2079 T CA -0.203 61.940 62.100 0.072 0.000 1.050 2079 T CB 1.500 70.381 68.868 0.021 0.000 1.159 2079 T HN 0.857 nan 8.240 nan 0.000 0.469 2080 T N 2.469 117.077 114.554 0.090 0.000 2.821 2080 T HA 0.583 4.934 4.350 0.001 0.000 0.306 2080 T C -1.980 172.736 174.700 0.026 0.000 1.313 2080 T CA -0.699 61.460 62.100 0.099 0.000 1.012 2080 T CB 1.499 70.501 68.868 0.224 0.000 1.298 2080 T HN 0.795 nan 8.240 nan 0.000 0.502 2081 D N 2.381 122.732 120.400 -0.082 0.000 2.181 2081 D HA 0.530 5.171 4.640 0.001 0.000 0.248 2081 D C 0.261 176.277 176.300 -0.472 0.000 1.020 2081 D CA -0.667 53.190 54.000 -0.238 0.000 0.891 2081 D CB 1.023 41.666 40.800 -0.260 0.000 1.187 2081 D HN 0.771 nan 8.370 nan 0.000 0.443 2082 I N -2.373 117.905 120.570 -0.486 0.000 2.750 2082 I HA 0.501 4.671 4.170 0.001 0.000 0.308 2082 I C -0.390 175.241 176.117 -0.810 0.000 1.016 2082 I CA -0.943 60.047 61.300 -0.516 0.000 1.098 2082 I CB 1.875 39.755 38.000 -0.199 0.000 1.279 2082 I HN 0.316 nan 8.210 nan 0.000 0.454 2083 H N 0.467 119.476 119.070 -0.101 0.000 3.255 2083 H HA 0.446 5.003 4.556 0.001 0.000 0.256 2083 H C -0.569 174.731 175.328 -0.046 0.000 1.049 2083 H CA -0.234 55.772 56.048 -0.069 0.000 1.202 2083 H CB 0.739 30.464 29.762 -0.061 0.000 1.497 2083 H HN 0.592 nan 8.280 nan 0.000 0.503 2084 E N -0.282 119.887 120.200 -0.051 0.000 2.356 2084 E HA 0.275 4.626 4.350 0.001 0.000 0.275 2084 E C 0.052 176.556 176.600 -0.159 0.000 0.904 2084 E CA -0.315 56.067 56.400 -0.030 0.000 0.757 2084 E CB 2.463 32.243 29.700 0.133 0.000 1.232 2084 E HN -0.027 nan 8.360 nan 0.000 0.442 2085 S N 1.474 117.176 115.700 0.004 0.000 2.380 2085 S HA -0.179 4.291 4.470 0.001 0.000 0.229 2085 S C 1.578 176.195 174.600 0.028 0.000 1.043 2085 S CA 1.800 60.014 58.200 0.024 0.000 1.038 2085 S CB -0.273 62.984 63.200 0.095 0.000 0.872 2085 S HN 0.733 nan 8.310 nan 0.000 0.456 2086 W N 1.935 123.268 121.300 0.056 0.000 2.421 2086 W HA -0.096 4.564 4.660 0.001 0.000 0.270 2086 W C 1.227 177.775 176.519 0.049 0.000 1.233 2086 W CA 0.803 58.176 57.345 0.047 0.000 1.226 2086 W CB -0.873 28.613 29.460 0.043 0.000 1.121 2086 W HN 0.414 nan 8.180 nan 0.000 0.579 2087 Q N 0.945 120.321 119.800 -0.705 0.000 2.311 2087 Q HA 0.005 4.346 4.340 0.001 0.000 0.203 2087 Q C 2.712 178.574 176.000 -0.230 0.000 0.954 2087 Q CA 1.308 56.716 55.803 -0.658 0.000 0.885 2087 Q CB -0.365 27.911 28.738 -0.770 0.000 0.963 2087 Q HN 0.305 nan 8.270 nan 0.000 0.471 2088 A N 1.827 124.565 122.820 -0.137 0.000 1.892 2088 A HA -0.311 4.009 4.320 0.001 0.000 0.218 2088 A C 1.971 179.542 177.584 -0.022 0.000 1.188 2088 A CA 1.861 53.864 52.037 -0.056 0.000 0.631 2088 A CB -0.566 18.417 19.000 -0.028 0.000 0.822 2088 A HN 0.439 nan 8.150 nan 0.000 0.447 2089 E N -0.510 119.693 120.200 0.006 0.000 2.023 2089 E HA -0.158 4.193 4.350 0.001 0.000 0.196 2089 E C -0.470 176.138 176.600 0.014 0.000 1.003 2089 E CA 1.479 57.893 56.400 0.024 0.000 0.809 2089 E CB -0.588 29.144 29.700 0.053 0.000 0.755 2089 E HN 0.506 nan 8.360 nan 0.000 0.449 2090 P HA -0.119 nan 4.420 nan 0.000 0.217 2090 P C 1.610 178.885 177.300 -0.041 0.000 1.150 2090 P CA 1.028 64.126 63.100 -0.003 0.000 0.832 2090 P CB 0.015 31.726 31.700 0.017 0.000 0.787 2091 V N 1.001 120.876 119.914 -0.064 0.000 2.427 2091 V HA -0.172 3.949 4.120 0.001 0.000 0.248 2091 V C 2.813 178.906 176.094 -0.002 0.000 1.051 2091 V CA 1.983 64.256 62.300 -0.044 0.000 1.048 2091 V CB -1.659 30.160 31.823 -0.007 0.000 0.666 2091 V HN 0.099 nan 8.190 nan 0.000 0.456 2092 A N -0.445 122.376 122.820 0.001 0.000 2.125 2092 A HA -0.186 4.134 4.320 0.001 0.000 0.219 2092 A C 2.089 179.680 177.584 0.013 0.000 1.156 2092 A CA 1.323 53.367 52.037 0.013 0.000 0.671 2092 A CB -0.352 18.655 19.000 0.012 0.000 0.794 2092 A HN 0.575 nan 8.150 nan 0.000 0.459 2093 E N -0.441 119.762 120.200 0.005 0.000 2.204 2093 E HA -0.104 4.246 4.350 0.001 0.000 0.195 2093 E C 1.602 178.206 176.600 0.006 0.000 0.990 2093 E CA 1.560 57.962 56.400 0.004 0.000 0.821 2093 E CB -0.107 29.591 29.700 -0.003 0.000 0.750 2093 E HN 0.509 nan 8.360 nan 0.000 0.477 2094 V N -0.142 119.779 119.914 0.011 0.000 3.371 2094 V HA 0.216 4.336 4.120 0.001 0.000 0.246 2094 V C 0.788 176.905 176.094 0.038 0.000 1.303 2094 V CA 0.414 62.726 62.300 0.019 0.000 1.156 2094 V CB 0.444 32.275 31.823 0.014 0.000 0.929 2094 V HN 0.064 nan 8.190 nan 0.000 0.459 2095 A N 0.794 123.641 122.820 0.045 0.000 2.404 2095 A HA 0.205 4.526 4.320 0.001 0.000 0.273 2095 A C 0.919 178.533 177.584 0.051 0.000 1.144 2095 A CA -0.011 52.061 52.037 0.059 0.000 0.806 2095 A CB -0.099 18.941 19.000 0.066 0.000 1.080 2095 A HN 0.406 nan 8.150 nan 0.000 0.509 2096 D N 1.734 122.167 120.400 0.055 0.000 2.194 2096 D HA 0.029 4.670 4.640 0.001 0.000 0.204 2096 D C 0.180 176.515 176.300 0.057 0.000 0.964 2096 D CA 1.415 55.447 54.000 0.054 0.000 0.846 2096 D CB 0.253 41.087 40.800 0.057 0.000 0.962 2096 D HN 0.576 nan 8.370 nan 0.000 0.490 2097 I N 1.624 122.223 120.570 0.048 0.000 2.447 2097 I HA 0.265 4.435 4.170 0.001 0.000 0.287 2097 I C -0.371 175.768 176.117 0.036 0.000 1.023 2097 I CA -0.585 60.741 61.300 0.043 0.000 1.083 2097 I CB 2.552 40.545 38.000 -0.011 0.000 1.245 2097 I HN -0.299 nan 8.210 nan 0.000 0.434 2098 I N 5.853 126.445 120.570 0.038 0.000 2.342 2098 I HA 0.203 4.374 4.170 0.001 0.000 0.291 2098 I C 0.181 176.299 176.117 0.001 0.000 1.010 2098 I CA -0.197 61.114 61.300 0.019 0.000 1.308 2098 I CB 1.257 39.265 38.000 0.012 0.000 1.400 2098 I HN 0.599 nan 8.210 nan 0.000 0.488 2099 Q N 6.596 126.381 119.800 -0.025 0.000 2.241 2099 Q HA 0.429 4.769 4.340 0.001 0.000 0.254 2099 Q C -1.196 174.741 176.000 -0.104 0.000 0.917 2099 Q CA -0.739 55.031 55.803 -0.055 0.000 0.919 2099 Q CB 1.481 30.192 28.738 -0.045 0.000 1.237 2099 Q HN 0.477 nan 8.270 nan 0.000 0.434 2100 I N 6.131 126.641 120.570 -0.100 0.000 2.339 2100 I HA 0.355 4.526 4.170 0.001 0.000 0.290 2100 I C -2.199 173.834 176.117 -0.141 0.000 0.994 2100 I CA -2.662 58.572 61.300 -0.111 0.000 1.191 2100 I CB 0.944 38.907 38.000 -0.061 0.000 1.343 2100 I HN 0.544 nan 8.210 nan 0.000 0.458 2101 P HA 0.053 nan 4.420 nan 0.000 0.267 2101 P C 0.624 177.829 177.300 -0.158 0.000 1.200 2101 P CA 0.123 63.119 63.100 -0.174 0.000 0.772 2101 P CB 0.881 32.525 31.700 -0.095 0.000 0.855 2102 A N 2.651 125.300 122.820 -0.285 0.000 1.892 2102 A HA -0.224 4.097 4.320 0.001 0.000 0.218 2102 A C 1.669 179.253 177.584 -0.001 0.000 1.188 2102 A CA 1.795 53.672 52.037 -0.266 0.000 0.631 2102 A CB -1.648 17.093 19.000 -0.432 0.000 0.822 2102 A HN 0.510 nan 8.150 nan 0.000 0.447 2103 F N -0.280 119.708 119.950 0.063 0.000 2.365 2103 F HA 0.023 4.551 4.527 0.001 0.000 0.300 2103 F C 1.597 177.518 175.800 0.202 0.000 1.090 2103 F CA 0.402 58.536 58.000 0.224 0.000 1.408 2103 F CB -0.561 38.517 39.000 0.130 0.000 1.060 2103 F HN 0.102 nan 8.300 nan 0.000 0.534 2104 L N -0.463 120.922 121.223 0.269 0.000 2.700 2104 L HA 0.092 4.433 4.340 0.001 0.000 0.234 2104 L C 1.913 178.857 176.870 0.123 0.000 1.156 2104 L CA -0.052 54.890 54.840 0.170 0.000 0.946 2104 L CB -0.701 41.417 42.059 0.100 0.000 1.216 2104 L HN 0.238 nan 8.230 nan 0.000 0.493 2105 C N -1.285 118.097 119.300 0.137 0.000 2.430 2105 C HA 0.016 4.476 4.460 0.001 0.000 0.288 2105 C C 2.207 177.257 174.990 0.100 0.000 1.448 2105 C CA -0.065 58.996 59.018 0.071 0.000 1.784 2105 C CB -0.795 26.941 27.740 -0.006 0.000 1.776 2105 C HN 0.445 nan 8.230 nan 0.000 0.547 2106 R N -0.011 120.583 120.500 0.157 0.000 2.397 2106 R HA 0.172 4.513 4.340 0.001 0.000 0.241 2106 R C 0.163 176.502 176.300 0.065 0.000 0.914 2106 R CA 0.133 56.301 56.100 0.112 0.000 1.071 2106 R CB -0.150 30.233 30.300 0.139 0.000 1.116 2106 R HN 0.589 nan 8.270 nan 0.000 0.524 2107 Q N 1.336 121.176 119.800 0.066 0.000 2.381 2107 Q HA 0.093 4.434 4.340 0.001 0.000 0.243 2107 Q C 0.792 176.816 176.000 0.040 0.000 1.154 2107 Q CA 0.202 56.034 55.803 0.047 0.000 0.899 2107 Q CB 0.789 29.559 28.738 0.053 0.000 1.396 2107 Q HN 0.040 nan 8.270 nan 0.000 0.485 2108 T N 1.555 116.129 114.554 0.034 0.000 2.620 2108 T HA -0.197 4.154 4.350 0.001 0.000 0.267 2108 T C 0.930 175.659 174.700 0.049 0.000 1.044 2108 T CA 1.831 63.953 62.100 0.036 0.000 1.161 2108 T CB 0.064 68.945 68.868 0.023 0.000 0.862 2108 T HN 0.496 nan 8.240 nan 0.000 0.438 2109 D N 0.589 121.018 120.400 0.049 0.000 2.178 2109 D HA -0.028 4.613 4.640 0.001 0.000 0.201 2109 D C 2.015 178.344 176.300 0.048 0.000 0.980 2109 D CA 0.514 54.547 54.000 0.056 0.000 0.842 2109 D CB -0.346 40.489 40.800 0.059 0.000 0.948 2109 D HN 0.204 nan 8.370 nan 0.000 0.472 2110 L N 0.463 121.708 121.223 0.037 0.000 2.072 2110 L HA -0.054 4.287 4.340 0.001 0.000 0.205 2110 L C 2.201 179.079 176.870 0.014 0.000 1.079 2110 L CA 1.152 56.002 54.840 0.017 0.000 0.752 2110 L CB -0.362 41.703 42.059 0.009 0.000 0.906 2110 L HN -0.030 nan 8.230 nan 0.000 0.436 2111 L N -1.422 119.817 121.223 0.026 0.000 2.056 2111 L HA -0.223 4.117 4.340 0.001 0.000 0.207 2111 L C 2.445 179.340 176.870 0.041 0.000 1.078 2111 L CA 1.212 56.070 54.840 0.030 0.000 0.749 2111 L CB -0.583 41.498 42.059 0.038 0.000 0.901 2111 L HN 0.256 nan 8.230 nan 0.000 0.433 2112 L N -0.464 120.794 121.223 0.058 0.000 2.093 2112 L HA -0.173 4.168 4.340 0.001 0.000 0.208 2112 L C 2.873 179.767 176.870 0.041 0.000 1.085 2112 L CA 1.057 55.937 54.840 0.067 0.000 0.755 2112 L CB -0.726 41.392 42.059 0.099 0.000 0.904 2112 L HN 0.244 nan 8.230 nan 0.000 0.435 2113 A N 0.063 122.904 122.820 0.036 0.000 1.933 2113 A HA -0.148 4.172 4.320 0.001 0.000 0.218 2113 A C 2.529 180.121 177.584 0.014 0.000 1.175 2113 A CA 1.692 53.746 52.037 0.027 0.000 0.628 2113 A CB -0.607 18.409 19.000 0.026 0.000 0.814 2113 A HN 0.398 nan 8.150 nan 0.000 0.444 2114 A N -0.120 122.705 122.820 0.009 0.000 1.873 2114 A HA 0.199 4.520 4.320 0.001 0.000 0.215 2114 A C 2.517 180.109 177.584 0.014 0.000 1.186 2114 A CA 1.993 54.033 52.037 0.006 0.000 0.616 2114 A CB -1.053 17.948 19.000 0.001 0.000 0.823 2114 A HN 1.046 nan 8.150 nan 0.000 0.442 2115 A N -0.132 122.698 122.820 0.018 0.000 1.933 2115 A HA -0.190 4.131 4.320 0.001 0.000 0.218 2115 A C 2.118 179.704 177.584 0.002 0.000 1.175 2115 A CA 2.003 54.048 52.037 0.013 0.000 0.628 2115 A CB -0.488 18.521 19.000 0.016 0.000 0.814 2115 A HN 0.550 nan 8.150 nan 0.000 0.444 2116 K N -0.026 120.375 120.400 0.001 0.000 2.281 2116 K HA -0.158 4.163 4.320 0.001 0.000 0.203 2116 K C 1.883 178.484 176.600 0.001 0.000 1.046 2116 K CA 1.820 58.103 56.287 -0.005 0.000 0.938 2116 K CB -0.319 32.182 32.500 0.002 0.000 0.737 2116 K HN 0.656 nan 8.250 nan 0.000 0.458 2117 T N -3.388 111.171 114.554 0.008 0.000 3.035 2117 T HA 0.058 4.408 4.350 0.001 0.000 0.268 2117 T C 1.474 176.180 174.700 0.011 0.000 1.109 2117 T CA 1.041 63.148 62.100 0.011 0.000 1.119 2117 T CB -0.163 68.713 68.868 0.013 0.000 0.900 2117 T HN 0.420 nan 8.240 nan 0.000 0.503 2118 G N 1.265 110.071 108.800 0.009 0.000 2.199 2118 G HA2 -0.228 3.732 3.960 0.001 0.000 0.254 2118 G HA3 -0.228 3.732 3.960 0.001 0.000 0.254 2118 G C 0.336 175.248 174.900 0.021 0.000 0.982 2118 G CA -0.056 45.050 45.100 0.011 0.000 0.632 2118 G HN 0.628 nan 8.290 nan 0.000 0.529 2119 R N 0.721 121.237 120.500 0.027 0.000 2.583 2119 R HA 0.715 5.056 4.340 0.001 0.000 0.268 2119 R C 0.897 177.230 176.300 0.054 0.000 1.101 2119 R CA 0.236 56.361 56.100 0.040 0.000 1.180 2119 R CB 0.117 30.441 30.300 0.039 0.000 1.128 2119 R HN 0.690 nan 8.270 nan 0.000 0.568 2120 A N 0.779 123.649 122.820 0.083 0.000 2.386 2120 A HA 0.415 4.736 4.320 0.001 0.000 0.248 2120 A C -0.326 177.334 177.584 0.126 0.000 1.082 2120 A CA -0.366 51.748 52.037 0.128 0.000 0.789 2120 A CB 0.577 19.713 19.000 0.227 0.000 1.025 2120 A HN 0.332 nan 8.150 nan 0.000 0.490 2121 V N 2.305 122.308 119.914 0.148 0.000 2.588 2121 V HA 0.359 4.480 4.120 0.001 0.000 0.304 2121 V C -0.084 176.121 176.094 0.184 0.000 1.042 2121 V CA -0.748 61.622 62.300 0.117 0.000 0.877 2121 V CB 1.673 33.535 31.823 0.065 0.000 0.996 2121 V HN 0.971 nan 8.190 nan 0.000 0.425 2122 N N 3.366 122.138 118.700 0.120 0.000 2.479 2122 N HA 0.544 5.285 4.740 0.001 0.000 0.261 2122 N C -1.343 174.175 175.510 0.013 0.000 0.979 2122 N CA -0.397 52.716 53.050 0.106 0.000 0.930 2122 N CB 1.764 40.249 38.487 -0.004 0.000 1.172 2122 N HN 0.453 nan 8.380 nan 0.000 0.499 2123 V N 3.953 123.875 119.914 0.013 0.000 2.383 2123 V HA 0.246 4.367 4.120 0.001 0.000 0.275 2123 V C 0.235 176.268 176.094 -0.102 0.000 1.036 2123 V CA -0.757 61.517 62.300 -0.043 0.000 0.889 2123 V CB 1.123 32.934 31.823 -0.019 0.000 0.985 2123 V HN 0.578 nan 8.190 nan 0.000 0.459 2124 K N 3.952 124.250 120.400 -0.171 0.000 2.383 2124 K HA 0.147 4.468 4.320 0.001 0.000 0.286 2124 K C 0.120 176.582 176.600 -0.230 0.000 1.051 2124 K CA -0.119 56.015 56.287 -0.255 0.000 0.974 2124 K CB 0.611 32.905 32.500 -0.345 0.000 0.968 2124 K HN 0.624 nan 8.250 nan 0.000 0.475 2125 K N 1.823 122.084 120.400 -0.232 0.000 2.412 2125 K HA 0.078 4.399 4.320 0.001 0.000 0.284 2125 K C 0.323 176.706 176.600 -0.361 0.000 1.046 2125 K CA -0.105 56.033 56.287 -0.247 0.000 0.999 2125 K CB 0.375 32.751 32.500 -0.207 0.000 0.941 2125 K HN 0.690 nan 8.250 nan 0.000 0.474 2126 G N 3.263 111.755 108.800 -0.514 0.000 2.474 2126 G HA2 -0.107 3.854 3.960 0.001 0.000 0.233 2126 G HA3 -0.107 3.854 3.960 0.001 0.000 0.233 2126 G C 0.172 174.586 174.900 -0.810 0.000 1.278 2126 G CA -0.391 44.152 45.100 -0.929 0.000 0.861 2126 G HN 0.817 nan 8.290 nan 0.000 0.567 2127 Q N 0.687 120.177 119.800 -0.516 0.000 2.437 2127 Q HA -0.029 4.311 4.340 0.001 0.000 0.210 2127 Q C 1.606 177.535 176.000 -0.120 0.000 0.972 2127 Q CA 1.273 56.960 55.803 -0.194 0.000 0.903 2127 Q CB -0.153 28.616 28.738 0.052 0.000 0.967 2127 Q HN 0.824 nan 8.270 nan 0.000 0.486 2128 F N -2.966 117.000 119.950 0.027 0.000 2.695 2128 F HA 0.356 4.883 4.527 0.001 0.000 0.303 2128 F C 0.218 176.002 175.800 -0.028 0.000 1.091 2128 F CA -0.827 57.178 58.000 0.008 0.000 1.300 2128 F CB 0.034 39.045 39.000 0.018 0.000 1.071 2128 F HN -0.135 nan 8.300 nan 0.000 0.578 2129 L N 1.733 122.785 121.223 -0.284 0.000 2.357 2129 L HA 0.725 5.065 4.340 0.001 0.000 0.273 2129 L C 0.252 176.979 176.870 -0.237 0.000 1.080 2129 L CA -1.142 53.587 54.840 -0.185 0.000 0.803 2129 L CB 1.197 43.086 42.059 -0.283 0.000 1.174 2129 L HN 0.220 nan 8.230 nan 0.000 0.443 2130 A N 4.904 127.543 122.820 -0.301 0.000 2.293 2130 A HA 0.624 4.944 4.320 0.001 0.000 0.302 2130 A C -1.895 175.277 177.584 -0.686 0.000 1.119 2130 A CA -1.241 50.420 52.037 -0.627 0.000 0.823 2130 A CB 0.154 18.618 19.000 -0.893 0.000 1.097 2130 A HN 0.711 nan 8.150 nan 0.000 0.491 2131 P HA -0.194 nan 4.420 nan 0.000 0.215 2131 P C 0.973 178.257 177.300 -0.028 0.000 1.157 2131 P CA 2.258 65.150 63.100 -0.347 0.000 0.874 2131 P CB -0.147 31.381 31.700 -0.286 0.000 0.790 2132 W N -0.509 120.934 121.300 0.239 0.000 2.525 2132 W HA -0.006 4.654 4.660 0.001 0.000 0.259 2132 W C 0.920 177.477 176.519 0.063 0.000 1.253 2132 W CA 0.590 58.115 57.345 0.301 0.000 1.262 2132 W CB -1.847 27.739 29.460 0.211 0.000 1.122 2132 W HN -0.104 nan 8.180 nan 0.000 0.607 2133 D N 0.855 121.240 120.400 -0.026 0.000 2.348 2133 D HA -0.124 4.517 4.640 0.001 0.000 0.216 2133 D C 2.124 178.375 176.300 -0.082 0.000 0.970 2133 D CA 1.958 55.944 54.000 -0.023 0.000 0.889 2133 D CB -0.521 40.246 40.800 -0.055 0.000 0.912 2133 D HN 0.399 nan 8.370 nan 0.000 0.524 2134 T N -2.104 112.417 114.554 -0.055 0.000 3.085 2134 T HA -0.022 4.329 4.350 0.001 0.000 0.263 2134 T C 1.706 176.188 174.700 -0.363 0.000 1.127 2134 T CA 0.376 62.440 62.100 -0.059 0.000 1.103 2134 T CB 0.199 69.168 68.868 0.169 0.000 0.921 2134 T HN 0.047 nan 8.240 nan 0.000 0.510 2135 K N 1.628 121.515 120.400 -0.855 0.000 2.063 2135 K HA -0.141 4.180 4.320 0.001 0.000 0.208 2135 K C 2.079 178.331 176.600 -0.580 0.000 1.048 2135 K CA 1.756 57.217 56.287 -1.378 0.000 0.928 2135 K CB -0.361 31.250 32.500 -1.482 0.000 0.713 2135 K HN 0.512 nan 8.250 nan 0.000 0.442 2136 N N -0.244 118.247 118.700 -0.350 0.000 2.244 2136 N HA -0.133 4.608 4.740 0.001 0.000 0.183 2136 N C 1.665 177.096 175.510 -0.130 0.000 1.016 2136 N CA 0.885 53.821 53.050 -0.190 0.000 0.866 2136 N CB 0.135 38.549 38.487 -0.122 0.000 0.980 2136 N HN -0.023 nan 8.380 nan 0.000 0.430 2137 V N 0.630 120.470 119.914 -0.123 0.000 2.295 2137 V HA -0.179 3.942 4.120 0.001 0.000 0.246 2137 V C 2.224 178.293 176.094 -0.042 0.000 1.049 2137 V CA 1.282 63.548 62.300 -0.057 0.000 1.024 2137 V CB -0.390 31.411 31.823 -0.036 0.000 0.648 2137 V HN 0.137 nan 8.190 nan 0.000 0.447 2138 V N 0.087 119.958 119.914 -0.072 0.000 2.343 2138 V HA -0.298 3.823 4.120 0.001 0.000 0.247 2138 V C 2.472 178.558 176.094 -0.013 0.000 1.051 2138 V CA 2.330 64.618 62.300 -0.021 0.000 1.036 2138 V CB -0.619 31.204 31.823 -0.001 0.000 0.654 2138 V HN 0.699 nan 8.190 nan 0.000 0.451 2139 E N 0.257 120.424 120.200 -0.055 0.000 2.118 2139 E HA -0.269 4.082 4.350 0.001 0.000 0.195 2139 E C 2.235 178.862 176.600 0.045 0.000 0.992 2139 E CA 1.412 57.803 56.400 -0.015 0.000 0.804 2139 E CB -0.036 29.627 29.700 -0.062 0.000 0.741 2139 E HN 0.589 nan 8.360 nan 0.000 0.458 2140 K N 0.171 120.587 120.400 0.026 0.000 2.026 2140 K HA -0.116 4.204 4.320 0.001 0.000 0.208 2140 K C 2.318 179.001 176.600 0.138 0.000 1.048 2140 K CA 1.274 57.608 56.287 0.078 0.000 0.929 2140 K CB -0.136 32.387 32.500 0.038 0.000 0.713 2140 K HN 0.208 nan 8.250 nan 0.000 0.439 2141 L N 1.183 122.454 121.223 0.079 0.000 2.083 2141 L HA -0.205 4.135 4.340 0.001 0.000 0.209 2141 L C 2.335 179.245 176.870 0.066 0.000 1.083 2141 L CA 1.360 56.240 54.840 0.067 0.000 0.752 2141 L CB -0.310 41.774 42.059 0.042 0.000 0.899 2141 L HN 0.155 nan 8.230 nan 0.000 0.433 2142 K N -0.521 119.923 120.400 0.073 0.000 2.057 2142 K HA -0.196 4.125 4.320 0.001 0.000 0.206 2142 K C 2.099 178.745 176.600 0.076 0.000 1.050 2142 K CA 1.451 57.775 56.287 0.061 0.000 0.935 2142 K CB -0.320 32.217 32.500 0.062 0.000 0.715 2142 K HN 0.106 nan 8.250 nan 0.000 0.439 2143 F N 1.554 121.500 119.950 -0.006 0.000 2.161 2143 F HA -0.119 4.408 4.527 0.001 0.000 0.300 2143 F C 1.835 177.635 175.800 0.001 0.000 1.089 2143 F CA 1.687 59.685 58.000 -0.004 0.000 1.282 2143 F CB -0.461 38.535 39.000 -0.007 0.000 1.010 2143 F HN -0.022 nan 8.300 nan 0.000 0.485 2144 G N -1.143 107.643 108.800 -0.023 0.000 2.848 2144 G HA2 0.267 4.227 3.960 0.001 0.000 0.208 2144 G HA3 0.267 4.227 3.960 0.001 0.000 0.208 2144 G C 1.362 176.195 174.900 -0.113 0.000 1.152 2144 G CA 0.377 45.417 45.100 -0.100 0.000 0.789 2144 G HN 1.039 nan 8.290 nan 0.000 0.531 2145 G N -1.463 107.278 108.800 -0.099 0.000 2.176 2145 G HA2 0.122 4.083 3.960 0.001 0.000 0.232 2145 G HA3 0.122 4.083 3.960 0.001 0.000 0.232 2145 G C 0.534 175.417 174.900 -0.029 0.000 0.986 2145 G CA 0.178 45.235 45.100 -0.072 0.000 0.643 2145 G HN 1.309 nan 8.290 nan 0.000 0.522 2146 A N -0.071 122.743 122.820 -0.010 0.000 2.425 2146 A HA 0.692 5.012 4.320 0.001 0.000 0.249 2146 A C 1.153 178.736 177.584 -0.001 0.000 1.084 2146 A CA 1.140 53.179 52.037 0.003 0.000 0.781 2146 A CB 0.393 19.403 19.000 0.016 0.000 1.019 2146 A HN 0.392 nan 8.150 nan 0.000 0.490 2147 K N 0.586 120.984 120.400 -0.004 0.000 2.424 2147 K HA 0.113 4.434 4.320 0.001 0.000 0.198 2147 K C 0.183 176.762 176.600 -0.035 0.000 1.190 2147 K CA 0.229 56.509 56.287 -0.012 0.000 0.935 2147 K CB 0.643 33.139 32.500 -0.007 0.000 1.087 2147 K HN 0.800 nan 8.250 nan 0.000 0.524 2148 E N 2.016 122.196 120.200 -0.034 0.000 2.073 2148 E HA 0.313 4.664 4.350 0.001 0.000 0.269 2148 E C -1.261 175.268 176.600 -0.119 0.000 0.917 2148 E CA -0.240 56.103 56.400 -0.095 0.000 0.757 2148 E CB 0.603 30.297 29.700 -0.009 0.000 1.111 2148 E HN 0.083 nan 8.360 nan 0.000 0.410 2149 I N 4.597 125.022 120.570 -0.242 0.000 2.498 2149 I HA 0.332 4.503 4.170 0.001 0.000 0.290 2149 I C -1.115 174.821 176.117 -0.302 0.000 1.032 2149 I CA -0.860 60.348 61.300 -0.153 0.000 1.073 2149 I CB 1.177 39.151 38.000 -0.043 0.000 1.251 2149 I HN 0.482 nan 8.210 nan 0.000 0.426 2150 Y N 5.634 125.940 120.300 0.010 0.000 2.509 2150 Y HA 0.689 5.239 4.550 0.001 0.000 0.341 2150 Y C -0.433 175.462 175.900 -0.008 0.000 1.038 2150 Y CA -0.884 57.214 58.100 -0.004 0.000 1.089 2150 Y CB 1.839 40.286 38.460 -0.022 0.000 1.241 2150 Y HN 0.269 nan 8.280 nan 0.000 0.468 2151 L N 2.203 123.516 121.223 0.150 0.000 2.381 2151 L HA 0.559 4.900 4.340 0.001 0.000 0.274 2151 L C -0.794 176.086 176.870 0.016 0.000 0.988 2151 L CA -0.556 54.324 54.840 0.066 0.000 0.824 2151 L CB 2.189 44.297 42.059 0.082 0.000 1.263 2151 L HN 0.652 nan 8.230 nan 0.000 0.410 2152 T N 1.204 115.719 114.554 -0.064 0.000 2.771 2152 T HA 0.236 4.587 4.350 0.001 0.000 0.281 2152 T C -0.352 174.248 174.700 -0.168 0.000 0.982 2152 T CA -0.439 61.580 62.100 -0.135 0.000 0.978 2152 T CB 1.624 70.337 68.868 -0.258 0.000 0.930 2152 T HN 0.409 nan 8.240 nan 0.000 0.447 2153 E N 2.668 122.796 120.200 -0.121 0.000 2.223 2153 E HA 0.288 4.639 4.350 0.001 0.000 0.282 2153 E C 0.422 176.903 176.600 -0.199 0.000 1.046 2153 E CA -0.540 55.789 56.400 -0.118 0.000 0.857 2153 E CB 0.442 30.138 29.700 -0.008 0.000 1.055 2153 E HN 0.612 nan 8.360 nan 0.000 0.409 2154 R N 3.025 123.391 120.500 -0.225 0.000 2.615 2154 R HA 0.496 4.837 4.340 0.001 0.000 0.448 2154 R C 0.092 176.293 176.300 -0.164 0.000 1.009 2154 R CA -0.209 55.744 56.100 -0.246 0.000 1.111 2154 R CB 0.080 30.181 30.300 -0.332 0.000 1.461 2154 R HN 0.650 nan 8.270 nan 0.000 0.587 2155 G N 0.004 108.718 108.800 -0.145 0.000 2.663 2155 G HA2 -0.027 3.934 3.960 0.001 0.000 0.686 2155 G HA3 -0.027 3.934 3.960 0.001 0.000 0.686 2155 G C -0.869 173.963 174.900 -0.113 0.000 1.246 2155 G CA -0.461 44.572 45.100 -0.113 0.000 0.795 2155 G HN 0.179 nan 8.290 nan 0.000 0.627 2156 T N 1.092 115.598 114.554 -0.080 0.000 2.893 2156 T HA 0.656 5.007 4.350 0.001 0.000 0.291 2156 T C 0.501 175.229 174.700 0.045 0.000 1.028 2156 T CA -0.037 62.033 62.100 -0.049 0.000 0.995 2156 T CB 1.661 70.485 68.868 -0.073 0.000 1.051 2156 T HN 0.876 nan 8.240 nan 0.000 0.470 2157 T N 3.055 117.655 114.554 0.076 0.000 2.822 2157 T HA 0.140 4.490 4.350 0.001 0.000 0.288 2157 T C -0.717 174.090 174.700 0.179 0.000 0.991 2157 T CA 0.529 62.705 62.100 0.126 0.000 1.176 2157 T CB -0.467 68.475 68.868 0.124 0.000 0.951 2157 T HN 0.417 nan 8.240 nan 0.000 0.526 2158 F N 4.055 124.001 119.950 -0.007 0.000 2.691 2158 F HA 0.524 5.051 4.527 0.001 0.000 0.371 2158 F C 0.703 176.475 175.800 -0.048 0.000 1.159 2158 F CA 0.031 58.013 58.000 -0.031 0.000 1.174 2158 F CB -0.104 38.880 39.000 -0.027 0.000 1.419 2158 F HN 0.921 nan 8.300 nan 0.000 0.514 2159 G N 2.968 111.522 108.800 -0.410 0.000 2.598 2159 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 2159 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 2159 G C -1.305 173.431 174.900 -0.274 0.000 1.302 2159 G CA -0.295 44.507 45.100 -0.498 0.000 0.903 2159 G HN 0.521 nan 8.290 nan 0.000 0.575 2160 Y N 1.644 121.903 120.300 -0.068 0.000 2.310 2160 Y HA 0.476 5.027 4.550 0.001 0.000 0.326 2160 Y C 1.446 177.355 175.900 0.015 0.000 1.151 2160 Y CA -0.564 57.527 58.100 -0.015 0.000 1.195 2160 Y CB 0.975 39.425 38.460 -0.017 0.000 1.210 2160 Y HN 0.646 nan 8.280 nan 0.000 0.483 2161 N N 1.875 120.707 118.700 0.221 0.000 2.721 2161 N HA -0.322 4.419 4.740 0.001 0.000 0.249 2161 N C -0.784 174.809 175.510 0.139 0.000 1.072 2161 N CA 1.044 54.184 53.050 0.151 0.000 0.710 2161 N CB -1.085 37.474 38.487 0.121 0.000 0.993 2161 N HN 0.900 nan 8.380 nan 0.000 0.547 2162 N N -0.477 118.312 118.700 0.149 0.000 2.504 2162 N HA 0.552 5.292 4.740 0.001 0.000 0.268 2162 N C -1.548 174.071 175.510 0.183 0.000 1.184 2162 N CA -0.554 52.595 53.050 0.164 0.000 0.875 2162 N CB 1.555 40.160 38.487 0.197 0.000 1.630 2162 N HN -0.014 nan 8.380 nan 0.000 0.486 2163 L N 1.821 123.133 121.223 0.149 0.000 2.370 2163 L HA 0.713 5.054 4.340 0.001 0.000 0.266 2163 L C -0.818 176.071 176.870 0.031 0.000 1.002 2163 L CA -1.003 53.901 54.840 0.106 0.000 0.818 2163 L CB 2.095 44.188 42.059 0.057 0.000 1.325 2163 L HN 0.282 nan 8.230 nan 0.000 0.418 2164 V N 2.436 122.321 119.914 -0.049 0.000 2.823 2164 V HA 0.565 4.686 4.120 0.001 0.000 0.312 2164 V C -0.871 175.110 176.094 -0.187 0.000 1.072 2164 V CA -0.504 61.668 62.300 -0.213 0.000 0.937 2164 V CB 2.576 34.087 31.823 -0.519 0.000 1.013 2164 V HN 0.406 nan 8.190 nan 0.000 0.430 2165 V N 5.091 124.876 119.914 -0.216 0.000 2.333 2165 V HA 0.374 4.495 4.120 0.001 0.000 0.274 2165 V C -0.319 175.540 176.094 -0.391 0.000 1.028 2165 V CA -0.460 61.635 62.300 -0.341 0.000 0.851 2165 V CB 1.376 32.916 31.823 -0.472 0.000 1.000 2165 V HN 0.912 nan 8.190 nan 0.000 0.456 2166 D N 4.087 124.291 120.400 -0.327 0.000 2.441 2166 D HA 0.234 4.874 4.640 0.001 0.000 0.221 2166 D C 0.717 176.874 176.300 -0.240 0.000 1.156 2166 D CA -0.345 53.534 54.000 -0.202 0.000 0.896 2166 D CB 0.577 41.292 40.800 -0.143 0.000 1.028 2166 D HN 0.403 nan 8.370 nan 0.000 0.509 2167 F N 1.978 121.875 119.950 -0.088 0.000 2.583 2167 F HA -0.019 4.508 4.527 0.001 0.000 0.297 2167 F C 2.247 178.004 175.800 -0.072 0.000 1.131 2167 F CA 0.471 58.414 58.000 -0.096 0.000 1.467 2167 F CB 0.039 38.966 39.000 -0.121 0.000 1.097 2167 F HN 0.285 nan 8.300 nan 0.000 0.586 2168 R N -0.230 120.310 120.500 0.066 0.000 2.189 2168 R HA -0.127 4.213 4.340 0.001 0.000 0.223 2168 R C 2.480 178.786 176.300 0.011 0.000 1.092 2168 R CA 1.257 57.388 56.100 0.050 0.000 0.989 2168 R CB -0.501 29.839 30.300 0.068 0.000 0.876 2168 R HN 0.352 nan 8.270 nan 0.000 0.457 2169 S N 0.677 116.348 115.700 -0.048 0.000 2.399 2169 S HA -0.125 4.346 4.470 0.001 0.000 0.231 2169 S C 1.857 176.414 174.600 -0.071 0.000 1.022 2169 S CA 0.801 58.952 58.200 -0.082 0.000 0.983 2169 S CB -0.184 62.932 63.200 -0.141 0.000 0.803 2169 S HN 0.063 nan 8.310 nan 0.000 0.480 2170 L N 2.751 123.944 121.223 -0.051 0.000 1.970 2170 L HA 0.030 4.371 4.340 0.001 0.000 0.212 2170 L C -0.354 176.462 176.870 -0.090 0.000 1.071 2170 L CA 1.944 56.755 54.840 -0.050 0.000 0.751 2170 L CB -1.657 40.401 42.059 -0.002 0.000 0.889 2170 L HN 0.285 nan 8.230 nan 0.000 0.432 2171 P HA -0.122 nan 4.420 nan 0.000 0.221 2171 P C 2.033 179.236 177.300 -0.161 0.000 1.150 2171 P CA 1.474 64.513 63.100 -0.101 0.000 0.800 2171 P CB 0.142 31.811 31.700 -0.052 0.000 0.787 2172 I N -0.616 119.873 120.570 -0.135 0.000 2.163 2172 I HA -0.185 3.985 4.170 0.001 0.000 0.240 2172 I C 2.753 178.554 176.117 -0.525 0.000 1.081 2172 I CA 1.482 62.665 61.300 -0.194 0.000 1.353 2172 I CB -0.617 37.404 38.000 0.034 0.000 1.054 2172 I HN -0.169 nan 8.210 nan 0.000 0.407 2173 M N 0.216 119.598 119.600 -0.362 0.000 2.279 2173 M HA -0.187 4.293 4.480 0.001 0.000 0.264 2173 M C 2.154 178.061 176.300 -0.656 0.000 1.062 2173 M CA 1.288 56.310 55.300 -0.465 0.000 1.099 2173 M CB -0.402 32.143 32.600 -0.093 0.000 1.394 2173 M HN 0.007 nan 8.290 nan 0.000 0.426 2174 K N 1.127 121.271 120.400 -0.427 0.000 2.360 2174 K HA -0.150 4.171 4.320 0.001 0.000 0.201 2174 K C 1.629 177.999 176.600 -0.384 0.000 1.046 2174 K CA 1.428 57.527 56.287 -0.312 0.000 0.940 2174 K CB -0.185 32.194 32.500 -0.200 0.000 0.748 2174 K HN 0.441 nan 8.250 nan 0.000 0.465 2175 Q N -1.271 118.135 119.800 -0.656 0.000 2.291 2175 Q HA -0.124 4.216 4.340 0.001 0.000 0.205 2175 Q C 0.546 176.395 176.000 -0.252 0.000 0.970 2175 Q CA 1.574 57.071 55.803 -0.510 0.000 0.876 2175 Q CB -0.055 28.275 28.738 -0.681 0.000 0.935 2175 Q HN 0.659 nan 8.270 nan 0.000 0.455 2176 W N -2.438 118.865 121.300 0.005 0.000 2.324 2176 W HA 0.713 5.373 4.660 0.001 0.000 0.316 2176 W C -0.191 176.313 176.519 -0.025 0.000 0.927 2176 W CA -0.250 57.093 57.345 -0.004 0.000 1.438 2176 W CB 0.242 29.707 29.460 0.008 0.000 1.085 2176 W HN -0.093 nan 8.180 nan 0.000 0.532 2177 A N 0.682 123.532 122.820 0.051 0.000 2.566 2177 A HA 0.582 4.902 4.320 0.001 0.000 0.290 2177 A C -1.066 176.482 177.584 -0.061 0.000 1.071 2177 A CA -1.252 50.800 52.037 0.024 0.000 0.658 2177 A CB 0.881 19.952 19.000 0.119 0.000 1.285 2177 A HN 0.032 nan 8.150 nan 0.000 0.427 2178 K N 0.332 120.665 120.400 -0.112 0.000 2.270 2178 K HA 0.510 4.830 4.320 0.001 0.000 0.276 2178 K C -0.818 175.804 176.600 0.036 0.000 1.023 2178 K CA -0.229 56.014 56.287 -0.073 0.000 0.955 2178 K CB 1.199 33.590 32.500 -0.183 0.000 0.975 2178 K HN 0.373 nan 8.250 nan 0.000 0.471 2179 V N 4.668 124.606 119.914 0.040 0.000 2.459 2179 V HA 0.349 4.470 4.120 0.001 0.000 0.295 2179 V C -0.206 175.924 176.094 0.060 0.000 1.029 2179 V CA -0.885 61.441 62.300 0.043 0.000 0.874 2179 V CB 1.342 33.159 31.823 -0.010 0.000 0.985 2179 V HN 0.581 nan 8.190 nan 0.000 0.438 2180 I N 4.266 124.868 120.570 0.054 0.000 2.530 2180 I HA 0.386 4.557 4.170 0.001 0.000 0.297 2180 I C -0.852 175.300 176.117 0.058 0.000 1.011 2180 I CA -0.826 60.488 61.300 0.023 0.000 1.107 2180 I CB 1.800 39.779 38.000 -0.034 0.000 1.285 2180 I HN 0.684 nan 8.210 nan 0.000 0.436 2181 Y N 4.924 125.220 120.300 -0.007 0.000 2.342 2181 Y HA 0.322 4.873 4.550 0.001 0.000 0.338 2181 Y C -0.050 175.873 175.900 0.038 0.000 0.965 2181 Y CA -0.888 57.217 58.100 0.008 0.000 1.159 2181 Y CB 0.804 39.316 38.460 0.087 0.000 1.157 2181 Y HN 0.501 nan 8.280 nan 0.000 0.486 2182 D N 5.251 125.223 120.400 -0.713 0.000 2.393 2182 D HA 0.221 4.862 4.640 0.001 0.000 0.232 2182 D C 0.615 176.413 176.300 -0.837 0.000 1.192 2182 D CA 0.334 53.988 54.000 -0.577 0.000 0.882 2182 D CB 1.194 41.632 40.800 -0.605 0.000 1.038 2182 D HN 0.799 nan 8.370 nan 0.000 0.499 2183 A N 3.105 125.607 122.820 -0.531 0.000 2.119 2183 A HA -0.057 4.264 4.320 0.001 0.000 0.217 2183 A C 1.885 179.446 177.584 -0.037 0.000 1.153 2183 A CA 1.037 52.930 52.037 -0.240 0.000 0.692 2183 A CB 0.059 19.138 19.000 0.132 0.000 0.799 2183 A HN 0.554 nan 8.150 nan 0.000 0.458 2184 T N -1.215 113.326 114.554 -0.022 0.000 2.837 2184 T HA 0.008 4.358 4.350 0.001 0.000 0.248 2184 T C 1.702 176.324 174.700 -0.130 0.000 1.033 2184 T CA 1.493 63.559 62.100 -0.056 0.000 1.150 2184 T CB -0.411 68.411 68.868 -0.076 0.000 0.865 2184 T HN 0.660 nan 8.240 nan 0.000 0.425 2185 H N 1.029 120.062 119.070 -0.062 0.000 2.491 2185 H HA 0.160 4.717 4.556 0.001 0.000 0.290 2185 H C 2.467 177.743 175.328 -0.086 0.000 1.050 2185 H CA 1.019 57.013 56.048 -0.090 0.000 1.309 2185 H CB -0.125 29.532 29.762 -0.175 0.000 1.392 2185 H HN 0.171 nan 8.280 nan 0.000 0.554 2186 S N 0.053 115.745 115.700 -0.012 0.000 2.419 2186 S HA -0.108 4.362 4.470 0.001 0.000 0.233 2186 S C 1.986 176.622 174.600 0.059 0.000 1.016 2186 S CA 1.227 59.426 58.200 -0.002 0.000 0.974 2186 S CB -0.105 63.097 63.200 0.003 0.000 0.786 2186 S HN 0.477 nan 8.310 nan 0.000 0.492 2187 V N -1.171 118.793 119.914 0.083 0.000 3.578 2187 V HA 0.295 4.415 4.120 0.001 0.000 0.290 2187 V C 0.188 176.349 176.094 0.111 0.000 1.376 2187 V CA -0.315 62.063 62.300 0.130 0.000 1.083 2187 V CB -0.529 31.418 31.823 0.207 0.000 0.911 2187 V HN 0.236 nan 8.190 nan 0.000 0.433 2188 Q N 1.335 121.178 119.800 0.071 0.000 2.314 2188 Q HA 0.569 4.910 4.340 0.001 0.000 0.258 2188 Q C -0.808 175.243 176.000 0.085 0.000 0.954 2188 Q CA -0.194 55.647 55.803 0.064 0.000 0.890 2188 Q CB 1.926 30.687 28.738 0.038 0.000 1.210 2188 Q HN 0.504 nan 8.270 nan 0.000 0.410 2189 L N 5.034 126.310 121.223 0.090 0.000 2.259 2189 L HA 0.343 4.684 4.340 0.001 0.000 0.288 2189 L C -2.105 174.823 176.870 0.097 0.000 1.051 2189 L CA -2.192 52.708 54.840 0.099 0.000 0.824 2189 L CB 0.346 42.464 42.059 0.099 0.000 1.206 2189 L HN 0.324 nan 8.230 nan 0.000 0.429 2190 P HA 0.158 nan 4.420 nan 0.000 0.264 2190 P C 0.478 177.840 177.300 0.104 0.000 1.183 2190 P CA 0.485 63.658 63.100 0.122 0.000 0.763 2190 P CB 0.713 32.504 31.700 0.151 0.000 0.807 2200 M N 0.976 120.669 119.600 0.155 0.000 2.085 2200 M HA 0.504 4.985 4.480 0.001 0.000 0.309 2200 M C 1.077 177.390 176.300 0.022 0.000 0.947 2200 M CA -0.534 54.811 55.300 0.075 0.000 0.918 2200 M CB 2.068 34.720 32.600 0.087 0.000 1.504 2200 M HN 0.630 nan 8.290 nan 0.000 0.420 2201 R N 2.421 122.903 120.500 -0.029 0.000 2.159 2201 R HA -0.175 4.166 4.340 0.001 0.000 0.237 2201 R C 1.479 177.743 176.300 -0.061 0.000 1.131 2201 R CA 2.179 58.267 56.100 -0.020 0.000 0.982 2201 R CB 0.114 30.397 30.300 -0.029 0.000 0.868 2201 R HN 0.878 nan 8.270 nan 0.000 0.453 2202 E N -0.606 119.460 120.200 -0.223 0.000 2.331 2202 E HA -0.197 4.153 4.350 0.001 0.000 0.199 2202 E C 0.688 177.087 176.600 -0.335 0.000 1.008 2202 E CA 1.025 57.219 56.400 -0.343 0.000 0.843 2202 E CB -0.190 29.169 29.700 -0.568 0.000 0.761 2202 E HN 0.398 nan 8.360 nan 0.000 0.507 2203 F N 0.483 120.486 119.950 0.088 0.000 2.721 2203 F HA 0.329 4.856 4.527 0.001 0.000 0.301 2203 F C 1.782 177.672 175.800 0.149 0.000 1.096 2203 F CA -0.589 57.472 58.000 0.102 0.000 1.308 2203 F CB -0.036 39.018 39.000 0.089 0.000 1.086 2203 F HN -0.053 nan 8.300 nan 0.000 0.587 2204 I N -0.433 120.300 120.570 0.272 0.000 2.099 2204 I HA -0.364 3.807 4.170 0.001 0.000 0.239 2204 I C 2.553 178.881 176.117 0.351 0.000 1.066 2204 I CA 1.860 63.321 61.300 0.268 0.000 1.324 2204 I CB -0.543 37.555 38.000 0.163 0.000 1.037 2204 I HN 0.131 nan 8.210 nan 0.000 0.401 2205 F N 2.023 122.044 119.950 0.118 0.000 2.075 2205 F HA -0.167 4.360 4.527 0.001 0.000 0.297 2205 F C -0.343 175.517 175.800 0.101 0.000 1.113 2205 F CA 1.277 59.336 58.000 0.097 0.000 1.218 2205 F CB -1.050 37.983 39.000 0.055 0.000 0.984 2205 F HN 0.017 nan 8.300 nan 0.000 0.472 2206 P HA -0.209 nan 4.420 nan 0.000 0.216 2206 P C 1.735 179.066 177.300 0.052 0.000 1.153 2206 P CA 1.635 64.742 63.100 0.012 0.000 0.858 2206 P CB -0.102 31.655 31.700 0.095 0.000 0.789 2207 L N -1.567 119.768 121.223 0.187 0.000 2.217 2207 L HA -0.084 4.257 4.340 0.001 0.000 0.211 2207 L C 2.416 179.368 176.870 0.138 0.000 1.107 2207 L CA 0.962 55.919 54.840 0.196 0.000 0.783 2207 L CB -0.598 41.695 42.059 0.389 0.000 0.919 2207 L HN -0.026 nan 8.230 nan 0.000 0.442 2208 I N -0.170 120.579 120.570 0.297 0.000 2.439 2208 I HA -0.239 3.932 4.170 0.001 0.000 0.251 2208 I C 2.738 178.942 176.117 0.146 0.000 1.139 2208 I CA 0.979 62.474 61.300 0.326 0.000 1.438 2208 I CB -0.015 38.247 38.000 0.435 0.000 1.085 2208 I HN 0.215 nan 8.210 nan 0.000 0.427 2209 R N 0.554 121.103 120.500 0.082 0.000 2.092 2209 R HA -0.114 4.226 4.340 0.001 0.000 0.231 2209 R C 2.345 178.565 176.300 -0.133 0.000 1.119 2209 R CA 1.342 57.424 56.100 -0.030 0.000 0.970 2209 R CB -0.440 29.769 30.300 -0.151 0.000 0.864 2209 R HN 0.405 nan 8.270 nan 0.000 0.440 2210 A N 1.520 124.187 122.820 -0.256 0.000 1.877 2210 A HA -0.122 4.199 4.320 0.001 0.000 0.216 2210 A C 2.422 179.698 177.584 -0.514 0.000 1.186 2210 A CA 1.683 53.404 52.037 -0.527 0.000 0.620 2210 A CB -0.678 17.747 19.000 -0.958 0.000 0.822 2210 A HN 0.380 nan 8.150 nan 0.000 0.443 2211 A N -0.032 122.574 122.820 -0.355 0.000 1.892 2211 A HA -0.095 4.225 4.320 0.001 0.000 0.218 2211 A C 2.339 179.905 177.584 -0.030 0.000 1.188 2211 A CA 2.662 54.625 52.037 -0.123 0.000 0.631 2211 A CB -1.329 17.535 19.000 -0.228 0.000 0.822 2211 A HN 1.195 nan 8.150 nan 0.000 0.447 2212 V N -2.839 117.083 119.914 0.014 0.000 2.548 2212 V HA 0.105 4.226 4.120 0.001 0.000 0.249 2212 V C 2.477 178.633 176.094 0.103 0.000 1.055 2212 V CA 1.559 63.901 62.300 0.071 0.000 1.065 2212 V CB -1.302 30.548 31.823 0.046 0.000 0.681 2212 V HN 0.511 nan 8.190 nan 0.000 0.462 2213 A N 0.468 123.300 122.820 0.019 0.000 1.930 2213 A HA -0.025 4.296 4.320 0.001 0.000 0.217 2213 A C 2.349 179.997 177.584 0.106 0.000 1.175 2213 A CA 1.997 54.069 52.037 0.060 0.000 0.627 2213 A CB -0.714 18.248 19.000 -0.062 0.000 0.815 2213 A HN 0.421 nan 8.150 nan 0.000 0.443 2214 V N -0.880 119.009 119.914 -0.040 0.000 2.323 2214 V HA 0.255 4.375 4.120 0.001 0.000 0.244 2214 V C 1.330 177.315 176.094 -0.181 0.000 1.041 2214 V CA 1.426 63.691 62.300 -0.059 0.000 1.025 2214 V CB -1.136 30.645 31.823 -0.070 0.000 0.656 2214 V HN 1.261 nan 8.190 nan 0.000 0.451 2215 G N -0.350 108.254 108.800 -0.327 0.000 3.393 2215 G HA2 0.092 4.052 3.960 0.001 0.000 0.676 2215 G HA3 0.092 4.052 3.960 0.001 0.000 0.676 2215 G C -0.759 173.918 174.900 -0.371 0.000 1.224 2215 G CA -0.644 43.938 45.100 -0.862 0.000 1.109 2215 G HN 1.016 nan 8.290 nan 0.000 0.519 2216 C N 0.359 119.561 119.300 -0.163 0.000 3.291 2216 C HA 0.872 5.333 4.460 0.001 0.000 0.316 2216 C C 0.617 175.681 174.990 0.124 0.000 1.391 2216 C CA -0.524 58.501 59.018 0.012 0.000 1.394 2216 C CB 1.894 29.699 27.740 0.109 0.000 1.744 2216 C HN 0.635 nan 8.230 nan 0.000 0.461 2217 D N 0.302 120.733 120.400 0.052 0.000 2.350 2217 D HA 0.381 5.022 4.640 0.001 0.000 0.213 2217 D C 0.784 176.888 176.300 -0.326 0.000 1.031 2217 D CA 1.354 55.362 54.000 0.014 0.000 0.861 2217 D CB 0.912 41.737 40.800 0.043 0.000 0.926 2217 D HN 1.070 nan 8.370 nan 0.000 0.520 2218 G N -0.406 108.119 108.800 -0.457 0.000 2.368 2218 G HA2 0.393 4.354 3.960 0.001 0.000 0.293 2218 G HA3 0.393 4.354 3.960 0.001 0.000 0.293 2218 G C -1.850 172.829 174.900 -0.368 0.000 1.467 2218 G CA -0.528 44.008 45.100 -0.940 0.000 0.804 2218 G HN -0.057 nan 8.290 nan 0.000 0.535 2219 V N 0.283 120.021 119.914 -0.294 0.000 2.735 2219 V HA 0.710 4.831 4.120 0.001 0.000 0.310 2219 V C -1.270 174.838 176.094 0.024 0.000 1.061 2219 V CA -0.714 61.612 62.300 0.043 0.000 0.913 2219 V CB 1.904 33.863 31.823 0.226 0.000 1.005 2219 V HN 0.820 nan 8.190 nan 0.000 0.428 2220 F N 5.718 125.594 119.950 -0.122 0.000 2.426 2220 F HA 0.830 5.358 4.527 0.001 0.000 0.348 2220 F C -0.441 175.288 175.800 -0.117 0.000 1.124 2220 F CA -0.739 57.176 58.000 -0.141 0.000 1.008 2220 F CB 1.325 40.228 39.000 -0.162 0.000 1.139 2220 F HN 0.399 nan 8.300 nan 0.000 0.452 2221 M N 5.704 125.168 119.600 -0.226 0.000 2.271 2221 M HA 0.315 4.796 4.480 0.001 0.000 0.285 2221 M C -1.118 175.001 176.300 -0.301 0.000 1.059 2221 M CA -0.563 54.653 55.300 -0.139 0.000 0.940 2221 M CB 2.615 35.172 32.600 -0.072 0.000 1.636 2221 M HN 0.506 nan 8.290 nan 0.000 0.460 2222 E N 1.390 121.472 120.200 -0.197 0.000 2.249 2222 E HA 0.488 4.839 4.350 0.001 0.000 0.280 2222 E C -0.593 175.936 176.600 -0.119 0.000 1.016 2222 E CA -0.338 55.942 56.400 -0.199 0.000 0.830 2222 E CB 2.101 31.733 29.700 -0.113 0.000 1.081 2222 E HN 0.491 nan 8.360 nan 0.000 0.395 2223 T N 1.869 116.356 114.554 -0.113 0.000 2.909 2223 T HA 0.256 4.606 4.350 0.001 0.000 0.299 2223 T C -1.716 172.993 174.700 0.015 0.000 1.073 2223 T CA -0.638 61.432 62.100 -0.049 0.000 0.999 2223 T CB 1.230 70.055 68.868 -0.071 0.000 1.098 2223 T HN 0.460 nan 8.240 nan 0.000 0.477 2224 H N 3.427 122.462 119.070 -0.059 0.000 2.974 2224 H HA 0.363 4.920 4.556 0.001 0.000 0.366 2224 H C -2.503 172.808 175.328 -0.028 0.000 1.155 2224 H CA -1.673 54.353 56.048 -0.037 0.000 1.186 2224 H CB 2.687 32.428 29.762 -0.035 0.000 1.799 2224 H HN 0.322 nan 8.280 nan 0.000 0.541 2225 P HA -0.105 nan 4.420 nan 0.000 0.216 2225 P C -0.614 176.801 177.300 0.191 0.000 1.153 2225 P CA 1.547 64.697 63.100 0.083 0.000 0.858 2225 P CB 0.403 32.094 31.700 -0.014 0.000 0.789 2226 E N -2.302 118.151 120.200 0.422 0.000 3.108 2226 E HA 0.158 4.509 4.350 0.001 0.000 0.228 2226 E C -2.175 174.372 176.600 -0.089 0.000 1.176 2226 E CA -1.638 54.851 56.400 0.149 0.000 0.881 2226 E CB 0.979 30.741 29.700 0.103 0.000 1.354 2226 E HN 0.098 nan 8.360 nan 0.000 0.400 2227 P HA -0.316 nan 4.420 nan 0.000 0.218 2227 P C 1.196 178.348 177.300 -0.247 0.000 1.154 2227 P CA 1.545 64.497 63.100 -0.247 0.000 0.872 2227 P CB 0.164 31.808 31.700 -0.093 0.000 0.790 2228 E N 0.262 120.374 120.200 -0.145 0.000 2.209 2228 E HA -0.202 4.149 4.350 0.001 0.000 0.196 2228 E C 1.284 177.806 176.600 -0.129 0.000 0.993 2228 E CA 1.172 57.507 56.400 -0.109 0.000 0.819 2228 E CB -0.689 28.974 29.700 -0.063 0.000 0.745 2228 E HN 0.298 nan 8.360 nan 0.000 0.477 2229 K N 0.576 120.870 120.400 -0.176 0.000 2.374 2229 K HA 0.287 4.607 4.320 0.001 0.000 0.196 2229 K C 0.342 176.800 176.600 -0.235 0.000 1.023 2229 K CA 0.121 56.318 56.287 -0.150 0.000 1.103 2229 K CB 0.782 33.242 32.500 -0.066 0.000 0.848 2229 K HN 0.116 nan 8.250 nan 0.000 0.528 2230 A N 1.247 123.815 122.820 -0.420 0.000 2.498 2230 A HA 0.062 4.382 4.320 0.001 0.000 0.239 2230 A C 0.831 178.300 177.584 -0.191 0.000 1.068 2230 A CA 0.043 51.835 52.037 -0.407 0.000 0.766 2230 A CB 0.053 18.790 19.000 -0.437 0.000 1.003 2230 A HN 0.309 nan 8.150 nan 0.000 0.497 2231 L N 1.474 122.592 121.223 -0.174 0.000 2.611 2231 L HA 0.195 4.536 4.340 0.001 0.000 0.229 2231 L C 0.854 177.721 176.870 -0.004 0.000 1.137 2231 L CA 0.530 55.257 54.840 -0.187 0.000 0.901 2231 L CB -0.344 41.349 42.059 -0.610 0.000 1.098 2231 L HN 0.666 nan 8.230 nan 0.000 0.456 2232 S N -0.931 114.779 115.700 0.017 0.000 2.543 2232 S HA 0.265 4.735 4.470 0.001 0.000 0.274 2232 S C -0.904 173.709 174.600 0.022 0.000 1.149 2232 S CA -0.674 57.574 58.200 0.079 0.000 0.866 2232 S CB 1.105 64.411 63.200 0.176 0.000 1.111 2232 S HN 0.285 nan 8.310 nan 0.000 0.457 2233 D N 1.368 121.777 120.400 0.015 0.000 2.792 2233 D HA -0.193 4.448 4.640 0.001 0.000 0.231 2233 D C 1.168 177.436 176.300 -0.054 0.000 1.160 2233 D CA 1.231 55.212 54.000 -0.031 0.000 0.697 2233 D CB -1.206 39.554 40.800 -0.067 0.000 1.070 2233 D HN 0.738 nan 8.370 nan 0.000 0.426 2234 A N -0.614 122.171 122.820 -0.059 0.000 1.978 2234 A HA -0.196 4.124 4.320 0.001 0.000 0.220 2234 A C 2.328 179.869 177.584 -0.072 0.000 1.170 2234 A CA 1.912 53.892 52.037 -0.095 0.000 0.636 2234 A CB -0.208 18.734 19.000 -0.095 0.000 0.810 2234 A HN 0.318 nan 8.150 nan 0.000 0.448 2235 S N -0.883 114.790 115.700 -0.044 0.000 2.481 2235 S HA -0.055 4.415 4.470 0.001 0.000 0.231 2235 S C 1.688 176.270 174.600 -0.030 0.000 0.996 2235 S CA 1.577 59.759 58.200 -0.030 0.000 0.942 2235 S CB -0.181 63.014 63.200 -0.009 0.000 0.768 2235 S HN 0.901 nan 8.310 nan 0.000 0.520 2236 T N -1.577 112.951 114.554 -0.044 0.000 3.043 2236 T HA 0.266 4.616 4.350 0.001 0.000 0.272 2236 T C 0.270 174.938 174.700 -0.053 0.000 0.990 2236 T CA -0.356 61.718 62.100 -0.044 0.000 0.897 2236 T CB 0.085 68.918 68.868 -0.058 0.000 1.111 2236 T HN 0.133 nan 8.240 nan 0.000 0.529 2237 Q N 1.243 121.008 119.800 -0.059 0.000 2.332 2237 Q HA 0.434 4.775 4.340 0.001 0.000 0.263 2237 Q C -0.860 175.123 176.000 -0.029 0.000 0.979 2237 Q CA -0.546 55.230 55.803 -0.044 0.000 0.885 2237 Q CB 1.318 30.040 28.738 -0.026 0.000 1.218 2237 Q HN 0.297 nan 8.270 nan 0.000 0.405 2238 L N 5.114 126.321 121.223 -0.027 0.000 2.331 2238 L HA 0.299 4.640 4.340 0.001 0.000 0.278 2238 L C -2.377 174.487 176.870 -0.011 0.000 1.106 2238 L CA -1.609 53.215 54.840 -0.027 0.000 0.824 2238 L CB 0.765 42.797 42.059 -0.045 0.000 1.142 2238 L HN 0.387 nan 8.230 nan 0.000 0.443 2239 P HA 0.005 nan 4.420 nan 0.000 0.264 2239 P C 0.920 178.217 177.300 -0.005 0.000 1.193 2239 P CA 0.126 63.230 63.100 0.005 0.000 0.763 2239 P CB 0.582 32.279 31.700 -0.004 0.000 0.810 2240 L N 2.758 123.984 121.223 0.004 0.000 2.051 2240 L HA -0.282 4.058 4.340 0.001 0.000 0.214 2240 L C 2.190 179.050 176.870 -0.017 0.000 1.076 2240 L CA 2.515 57.346 54.840 -0.014 0.000 0.758 2240 L CB -0.717 41.331 42.059 -0.019 0.000 0.890 2240 L HN 0.469 nan 8.230 nan 0.000 0.433 2241 S N -1.433 114.260 115.700 -0.012 0.000 2.469 2241 S HA -0.247 4.224 4.470 0.001 0.000 0.238 2241 S C 1.641 176.232 174.600 -0.016 0.000 0.998 2241 S CA 1.031 59.224 58.200 -0.011 0.000 0.957 2241 S CB -0.262 62.934 63.200 -0.006 0.000 0.764 2241 S HN 0.561 nan 8.310 nan 0.000 0.514 2242 Q N -0.292 119.490 119.800 -0.031 0.000 2.392 2242 Q HA 0.296 4.636 4.340 0.001 0.000 0.203 2242 Q C 1.776 177.727 176.000 -0.082 0.000 0.917 2242 Q CA 0.049 55.817 55.803 -0.058 0.000 0.939 2242 Q CB -0.119 28.575 28.738 -0.074 0.000 1.063 2242 Q HN 0.450 nan 8.270 nan 0.000 0.516 2243 L N 1.507 122.700 121.223 -0.050 0.000 2.012 2243 L HA -0.222 4.119 4.340 0.001 0.000 0.210 2243 L C 2.179 179.044 176.870 -0.009 0.000 1.073 2243 L CA 1.956 56.773 54.840 -0.039 0.000 0.748 2243 L CB -0.395 41.659 42.059 -0.008 0.000 0.891 2243 L HN 0.216 nan 8.230 nan 0.000 0.431 2244 E N -0.946 119.281 120.200 0.045 0.000 2.038 2244 E HA -0.233 4.118 4.350 0.001 0.000 0.195 2244 E C 2.068 178.718 176.600 0.083 0.000 1.000 2244 E CA 1.310 57.793 56.400 0.139 0.000 0.803 2244 E CB -0.525 29.271 29.700 0.160 0.000 0.750 2244 E HN 0.623 nan 8.360 nan 0.000 0.448 2245 G N 1.268 110.079 108.800 0.017 0.000 2.440 2245 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 2245 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 2245 G C 1.613 176.453 174.900 -0.101 0.000 1.154 2245 G CA 0.994 46.087 45.100 -0.012 0.000 0.767 2245 G HN 0.274 nan 8.290 nan 0.000 0.552 2246 I N 0.394 120.818 120.570 -0.244 0.000 2.315 2246 I HA -0.092 4.079 4.170 0.001 0.000 0.248 2246 I C 2.638 178.659 176.117 -0.160 0.000 1.117 2246 I CA 0.665 61.732 61.300 -0.387 0.000 1.404 2246 I CB -0.190 37.513 38.000 -0.494 0.000 1.071 2246 I HN 0.166 nan 8.210 nan 0.000 0.419 2247 I N 0.643 121.121 120.570 -0.154 0.000 2.179 2247 I HA -0.275 3.896 4.170 0.001 0.000 0.242 2247 I C 2.637 178.562 176.117 -0.320 0.000 1.088 2247 I CA 1.291 62.447 61.300 -0.241 0.000 1.357 2247 I CB -0.318 37.473 38.000 -0.349 0.000 1.051 2247 I HN 0.211 nan 8.210 nan 0.000 0.409 2248 E N 1.646 121.703 120.200 -0.239 0.000 2.077 2248 E HA -0.215 4.136 4.350 0.001 0.000 0.193 2248 E C 2.080 178.670 176.600 -0.017 0.000 0.989 2248 E CA 1.827 58.178 56.400 -0.081 0.000 0.800 2248 E CB -0.210 29.573 29.700 0.140 0.000 0.746 2248 E HN 0.408 nan 8.360 nan 0.000 0.452 2249 A N 1.263 124.106 122.820 0.038 0.000 1.877 2249 A HA -0.151 4.170 4.320 0.001 0.000 0.216 2249 A C 2.395 180.022 177.584 0.070 0.000 1.186 2249 A CA 1.893 54.006 52.037 0.127 0.000 0.620 2249 A CB -1.066 18.153 19.000 0.366 0.000 0.822 2249 A HN 0.531 nan 8.150 nan 0.000 0.443 2250 I N -2.590 117.999 120.570 0.032 0.000 2.394 2250 I HA -0.158 4.013 4.170 0.001 0.000 0.251 2250 I C 2.111 178.120 176.117 -0.179 0.000 1.136 2250 I CA 1.233 62.510 61.300 -0.038 0.000 1.425 2250 I CB -0.520 37.470 38.000 -0.016 0.000 1.079 2250 I HN 0.205 nan 8.210 nan 0.000 0.425 2251 L N 1.040 122.146 121.223 -0.195 0.000 2.056 2251 L HA -0.116 4.225 4.340 0.001 0.000 0.207 2251 L C 2.698 179.497 176.870 -0.118 0.000 1.078 2251 L CA 1.471 56.185 54.840 -0.210 0.000 0.749 2251 L CB -0.589 41.375 42.059 -0.159 0.000 0.901 2251 L HN 0.268 nan 8.230 nan 0.000 0.433 2252 E N 0.426 120.592 120.200 -0.058 0.000 2.051 2252 E HA -0.204 4.146 4.350 0.001 0.000 0.192 2252 E C 2.267 178.843 176.600 -0.041 0.000 0.991 2252 E CA 1.233 57.617 56.400 -0.028 0.000 0.799 2252 E CB -0.083 29.620 29.700 0.006 0.000 0.748 2252 E HN 0.459 nan 8.360 nan 0.000 0.449 2253 I N 0.767 121.313 120.570 -0.039 0.000 2.315 2253 I HA -0.250 3.921 4.170 0.001 0.000 0.248 2253 I C 2.713 178.802 176.117 -0.047 0.000 1.117 2253 I CA 0.940 62.219 61.300 -0.034 0.000 1.404 2253 I CB -0.219 37.768 38.000 -0.021 0.000 1.071 2253 I HN 0.029 nan 8.210 nan 0.000 0.419 2254 R N 1.045 121.493 120.500 -0.086 0.000 2.081 2254 R HA -0.208 4.133 4.340 0.001 0.000 0.235 2254 R C 2.348 178.566 176.300 -0.136 0.000 1.131 2254 R CA 1.445 57.492 56.100 -0.089 0.000 0.960 2254 R CB -0.224 29.937 30.300 -0.231 0.000 0.856 2254 R HN 0.236 nan 8.270 nan 0.000 0.436 2255 E N 0.386 120.513 120.200 -0.121 0.000 2.058 2255 E HA -0.162 4.188 4.350 0.001 0.000 0.194 2255 E C 1.859 178.382 176.600 -0.129 0.000 0.997 2255 E CA 1.785 58.117 56.400 -0.112 0.000 0.801 2255 E CB -0.023 29.634 29.700 -0.071 0.000 0.746 2255 E HN 0.279 nan 8.360 nan 0.000 0.450 2256 V N 0.988 120.845 119.914 -0.094 0.000 2.346 2256 V HA -0.154 3.966 4.120 0.001 0.000 0.244 2256 V C 2.566 178.612 176.094 -0.079 0.000 1.037 2256 V CA 1.690 63.948 62.300 -0.069 0.000 1.029 2256 V CB -0.853 30.960 31.823 -0.016 0.000 0.663 2256 V HN 0.337 nan 8.190 nan 0.000 0.454 2257 A N 0.888 123.662 122.820 -0.076 0.000 1.969 2257 A HA -0.175 4.145 4.320 0.001 0.000 0.218 2257 A C 2.496 179.800 177.584 -0.466 0.000 1.169 2257 A CA 1.901 53.909 52.037 -0.049 0.000 0.635 2257 A CB -0.741 18.294 19.000 0.059 0.000 0.810 2257 A HN 0.684 nan 8.150 nan 0.000 0.445 2258 S N 0.369 115.559 115.700 -0.850 0.000 2.420 2258 S HA -0.262 4.208 4.470 0.001 0.000 0.237 2258 S C 1.831 175.943 174.600 -0.814 0.000 1.023 2258 S CA 1.637 58.947 58.200 -1.485 0.000 0.991 2258 S CB -0.459 62.305 63.200 -0.726 0.000 0.792 2258 S HN 0.678 nan 8.310 nan 0.000 0.488 2259 K N 0.498 120.545 120.400 -0.589 0.000 2.211 2259 K HA -0.136 4.185 4.320 0.001 0.000 0.204 2259 K C 0.816 177.018 176.600 -0.662 0.000 1.047 2259 K CA 1.389 57.303 56.287 -0.622 0.000 0.935 2259 K CB -0.234 31.784 32.500 -0.804 0.000 0.728 2259 K HN 0.651 nan 8.250 nan 0.000 0.452 2260 Y N -0.780 119.405 120.300 -0.192 0.000 2.458 2260 Y HA 0.139 4.689 4.550 0.001 0.000 0.256 2260 Y C -0.276 175.671 175.900 0.077 0.000 1.159 2260 Y CA -1.026 57.042 58.100 -0.053 0.000 1.261 2260 Y CB 0.232 38.673 38.460 -0.031 0.000 1.119 2260 Y HN -0.135 nan 8.280 nan 0.000 0.524 2261 Y N 2.230 122.574 120.300 0.073 0.000 2.632 2261 Y HA 0.078 4.628 4.550 0.001 0.000 0.329 2261 Y C 0.695 176.615 175.900 0.033 0.000 1.174 2261 Y CA -1.059 57.070 58.100 0.048 0.000 1.469 2261 Y CB -0.149 38.327 38.460 0.026 0.000 1.242 2261 Y HN 0.134 nan 8.280 nan 0.000 0.540 2262 E N 0.774 121.085 120.200 0.185 0.000 2.398 2262 E HA 0.129 4.480 4.350 0.001 0.000 0.263 2262 E C -0.093 176.550 176.600 0.071 0.000 1.046 2262 E CA -0.031 56.428 56.400 0.099 0.000 0.908 2262 E CB 0.287 30.023 29.700 0.061 0.000 0.963 2262 E HN 0.434 nan 8.360 nan 0.000 0.431 2263 T N 3.515 118.098 114.554 0.048 0.000 2.870 2263 T HA 0.191 4.541 4.350 0.001 0.000 0.300 2263 T C 0.929 175.634 174.700 0.008 0.000 0.989 2263 T CA -0.283 61.835 62.100 0.030 0.000 1.139 2263 T CB -0.090 68.792 68.868 0.024 0.000 0.920 2263 T HN 0.569 nan 8.240 nan 0.000 0.537 2264 I N 0.000 120.567 120.570 -0.004 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 2264 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494