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 1fy6_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 ATHSVQLPXX 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 0.000 176.691 176.600 0.151 0.000 0.988 2003 K CA 0.000 56.365 56.287 0.129 0.000 0.838 2003 K CB 0.000 32.570 32.500 0.117 0.000 1.064 2004 F N 1.580 121.539 119.950 0.015 0.000 2.608 2004 F HA 0.166 4.694 4.527 0.001 0.000 0.380 2004 F C -0.095 175.657 175.800 -0.079 0.000 1.083 2004 F CA -0.345 57.646 58.000 -0.016 0.000 1.266 2004 F CB 0.525 39.510 39.000 -0.025 0.000 1.076 2004 F HN 0.422 nan 8.300 nan 0.000 0.574 2005 L N 6.700 127.554 121.223 -0.616 0.000 2.307 2005 L HA 0.565 4.905 4.340 0.001 0.000 0.282 2005 L C -1.202 175.283 176.870 -0.642 0.000 1.051 2005 L CA -0.436 54.104 54.840 -0.501 0.000 0.804 2005 L CB 1.523 43.354 42.059 -0.381 0.000 1.197 2005 L HN 0.357 nan 8.230 nan 0.000 0.431 2006 V N 6.774 126.384 119.914 -0.506 0.000 2.447 2006 V HA 0.423 4.543 4.120 0.001 0.000 0.292 2006 V C -0.195 175.707 176.094 -0.319 0.000 1.021 2006 V CA -0.411 61.618 62.300 -0.450 0.000 0.850 2006 V CB 1.474 32.907 31.823 -0.650 0.000 1.005 2006 V HN 0.557 nan 8.190 nan 0.000 0.426 2007 I N 4.646 125.039 120.570 -0.294 0.000 2.312 2007 I HA 0.812 4.983 4.170 0.001 0.000 0.290 2007 I C 0.324 176.171 176.117 -0.450 0.000 1.008 2007 I CA -0.124 60.971 61.300 -0.341 0.000 1.226 2007 I CB 1.478 39.249 38.000 -0.382 0.000 1.371 2007 I HN 0.687 nan 8.210 nan 0.000 0.468 2008 A N 4.595 127.193 122.820 -0.370 0.000 2.587 2008 A HA 1.009 5.329 4.320 0.001 0.000 0.293 2008 A C -0.411 176.867 177.584 -0.509 0.000 1.087 2008 A CA -0.252 51.553 52.037 -0.387 0.000 0.692 2008 A CB 2.019 20.914 19.000 -0.175 0.000 1.291 2008 A HN 0.918 nan 8.150 nan 0.000 0.407 2009 G N -0.251 108.253 108.800 -0.494 0.000 2.341 2009 G HA2 0.513 4.473 3.960 0.001 0.000 0.293 2009 G HA3 0.513 4.473 3.960 0.001 0.000 0.293 2009 G C -3.569 171.125 174.900 -0.343 0.000 1.298 2009 G CA -0.185 44.521 45.100 -0.657 0.000 0.868 2009 G HN 0.736 nan 8.290 nan 0.000 0.540 2010 P HA 0.251 nan 4.420 nan 0.000 0.278 2010 P C 1.311 178.622 177.300 0.018 0.000 1.238 2010 P CA 0.006 63.096 63.100 -0.016 0.000 0.794 2010 P CB 1.736 33.477 31.700 0.068 0.000 0.955 2011 C N 3.159 122.510 119.300 0.085 0.000 2.388 2011 C HA -0.006 4.454 4.460 0.001 0.000 0.277 2011 C C 1.252 176.331 174.990 0.149 0.000 1.210 2011 C CA 1.721 60.812 59.018 0.120 0.000 1.743 2011 C CB -1.403 26.415 27.740 0.131 0.000 2.047 2011 C HN 0.698 nan 8.230 nan 0.000 0.458 2012 A N -0.515 122.430 122.820 0.210 0.000 2.355 2012 A HA 0.701 5.022 4.320 0.001 0.000 0.324 2012 A C -0.359 177.421 177.584 0.327 0.000 1.117 2012 A CA -0.594 51.621 52.037 0.296 0.000 0.785 2012 A CB 0.477 19.776 19.000 0.498 0.000 1.254 2012 A HN 0.456 nan 8.150 nan 0.000 0.453 2013 I N 2.401 123.189 120.570 0.364 0.000 2.352 2013 I HA 0.008 4.179 4.170 0.001 0.000 0.303 2013 I C 0.870 177.255 176.117 0.445 0.000 1.194 2013 I CA 0.330 61.856 61.300 0.377 0.000 1.518 2013 I CB -0.136 38.108 38.000 0.405 0.000 1.489 2013 I HN 0.860 nan 8.210 nan 0.000 0.702 2014 E N 2.979 123.375 120.200 0.327 0.000 2.338 2014 E HA -0.075 4.276 4.350 0.001 0.000 0.197 2014 E C 0.169 176.870 176.600 0.168 0.000 1.007 2014 E CA 0.477 57.015 56.400 0.230 0.000 0.849 2014 E CB 0.187 29.928 29.700 0.067 0.000 0.774 2014 E HN 0.748 nan 8.360 nan 0.000 0.506 2015 S N -1.269 114.531 115.700 0.167 0.000 2.714 2015 S HA -0.024 4.447 4.470 0.001 0.000 0.297 2015 S C 0.285 174.994 174.600 0.181 0.000 0.993 2015 S CA -0.652 57.633 58.200 0.142 0.000 0.844 2015 S CB 0.617 63.861 63.200 0.074 0.000 1.043 2015 S HN 0.237 nan 8.310 nan 0.000 0.457 2016 E N 1.122 121.424 120.200 0.171 0.000 2.267 2016 E HA -0.229 4.122 4.350 0.001 0.000 0.197 2016 E C 1.353 177.980 176.600 0.045 0.000 0.998 2016 E CA 1.391 57.819 56.400 0.047 0.000 0.830 2016 E CB -0.166 29.475 29.700 -0.099 0.000 0.751 2016 E HN 0.779 nan 8.360 nan 0.000 0.491 2017 E N 0.665 120.898 120.200 0.056 0.000 2.031 2017 E HA -0.227 4.123 4.350 0.001 0.000 0.193 2017 E C 2.109 178.735 176.600 0.044 0.000 0.994 2017 E CA 1.211 57.635 56.400 0.041 0.000 0.800 2017 E CB -0.122 29.602 29.700 0.039 0.000 0.752 2017 E HN 0.358 nan 8.360 nan 0.000 0.447 2018 L N 1.067 122.320 121.223 0.051 0.000 2.042 2018 L HA -0.190 4.151 4.340 0.001 0.000 0.210 2018 L C 2.183 179.097 176.870 0.074 0.000 1.076 2018 L CA 1.626 56.481 54.840 0.025 0.000 0.749 2018 L CB -0.414 41.659 42.059 0.023 0.000 0.893 2018 L HN 0.253 nan 8.230 nan 0.000 0.432 2019 L N -1.307 119.999 121.223 0.138 0.000 2.083 2019 L HA -0.239 4.102 4.340 0.001 0.000 0.209 2019 L C 2.538 179.461 176.870 0.089 0.000 1.083 2019 L CA 1.258 56.231 54.840 0.223 0.000 0.752 2019 L CB -0.664 41.505 42.059 0.183 0.000 0.899 2019 L HN 0.341 nan 8.230 nan 0.000 0.433 2020 L N -0.210 121.057 121.223 0.074 0.000 2.093 2020 L HA -0.201 4.139 4.340 0.001 0.000 0.208 2020 L C 2.716 179.665 176.870 0.132 0.000 1.085 2020 L CA 1.203 56.134 54.840 0.152 0.000 0.755 2020 L CB -0.451 41.673 42.059 0.109 0.000 0.904 2020 L HN 0.260 nan 8.230 nan 0.000 0.435 2021 K N 0.243 120.679 120.400 0.061 0.000 2.002 2021 K HA -0.149 4.171 4.320 0.001 0.000 0.209 2021 K C 2.014 178.595 176.600 -0.031 0.000 1.048 2021 K CA 1.467 57.762 56.287 0.013 0.000 0.930 2021 K CB 0.017 32.510 32.500 -0.012 0.000 0.714 2021 K HN 0.049 nan 8.250 nan 0.000 0.438 2022 V N 0.750 120.673 119.914 0.014 0.000 2.343 2022 V HA -0.167 3.953 4.120 0.001 0.000 0.247 2022 V C 2.401 178.512 176.094 0.029 0.000 1.051 2022 V CA 2.071 64.397 62.300 0.044 0.000 1.036 2022 V CB -0.941 30.962 31.823 0.133 0.000 0.654 2022 V HN 0.615 nan 8.190 nan 0.000 0.451 2023 G N -0.760 108.029 108.800 -0.018 0.000 2.442 2023 G HA2 -0.304 3.656 3.960 0.001 0.000 0.219 2023 G HA3 -0.304 3.656 3.960 0.001 0.000 0.219 2023 G C 1.522 175.770 174.900 -1.086 0.000 1.141 2023 G CA 1.016 45.848 45.100 -0.447 0.000 0.763 2023 G HN 0.570 nan 8.290 nan 0.000 0.554 2024 E N 0.060 119.704 120.200 -0.925 0.000 2.031 2024 E HA -0.177 4.174 4.350 0.001 0.000 0.193 2024 E C 2.349 178.689 176.600 -0.432 0.000 0.994 2024 E CA 1.356 57.294 56.400 -0.769 0.000 0.800 2024 E CB -0.091 29.480 29.700 -0.214 0.000 0.752 2024 E HN 0.405 nan 8.360 nan 0.000 0.447 2025 E N 0.840 120.881 120.200 -0.266 0.000 2.051 2025 E HA -0.158 4.192 4.350 0.001 0.000 0.192 2025 E C 1.962 178.432 176.600 -0.217 0.000 0.991 2025 E CA 1.288 57.582 56.400 -0.177 0.000 0.799 2025 E CB -0.302 29.334 29.700 -0.107 0.000 0.748 2025 E HN 0.368 nan 8.360 nan 0.000 0.449 2026 I N 0.244 120.676 120.570 -0.230 0.000 2.286 2026 I HA -0.241 3.930 4.170 0.001 0.000 0.248 2026 I C 2.248 178.120 176.117 -0.408 0.000 1.115 2026 I CA 1.142 62.280 61.300 -0.270 0.000 1.392 2026 I CB -0.277 37.681 38.000 -0.070 0.000 1.065 2026 I HN 0.087 nan 8.210 nan 0.000 0.418 2027 K N 1.532 121.697 120.400 -0.392 0.000 2.057 2027 K HA -0.188 4.133 4.320 0.001 0.000 0.207 2027 K C 2.180 178.634 176.600 -0.243 0.000 1.049 2027 K CA 1.484 57.583 56.287 -0.314 0.000 0.931 2027 K CB -0.294 31.985 32.500 -0.369 0.000 0.714 2027 K HN 0.089 nan 8.250 nan 0.000 0.440 2028 R N -0.235 120.129 120.500 -0.227 0.000 2.073 2028 R HA -0.071 4.270 4.340 0.001 0.000 0.234 2028 R C 1.943 178.151 176.300 -0.153 0.000 1.134 2028 R CA 1.399 57.410 56.100 -0.148 0.000 0.952 2028 R CB -0.278 29.955 30.300 -0.111 0.000 0.850 2028 R HN 0.151 nan 8.270 nan 0.000 0.433 2029 L N 0.597 121.695 121.223 -0.208 0.000 2.042 2029 L HA -0.164 4.176 4.340 0.001 0.000 0.210 2029 L C 2.513 179.246 176.870 -0.229 0.000 1.076 2029 L CA 1.751 56.526 54.840 -0.109 0.000 0.749 2029 L CB -1.540 40.384 42.059 -0.225 0.000 0.893 2029 L HN 0.296 nan 8.230 nan 0.000 0.432 2030 S N -0.656 114.660 115.700 -0.641 0.000 2.387 2030 S HA -0.193 4.277 4.470 0.001 0.000 0.230 2030 S C 1.803 176.392 174.600 -0.018 0.000 1.035 2030 S CA 1.300 59.276 58.200 -0.374 0.000 1.014 2030 S CB 0.041 63.071 63.200 -0.283 0.000 0.836 2030 S HN 0.411 nan 8.310 nan 0.000 0.466 2031 E N 0.722 120.884 120.200 -0.063 0.000 2.158 2031 E HA -0.024 4.326 4.350 0.001 0.000 0.191 2031 E C 1.997 178.569 176.600 -0.047 0.000 0.982 2031 E CA 0.694 57.077 56.400 -0.028 0.000 0.823 2031 E CB -0.234 29.439 29.700 -0.044 0.000 0.766 2031 E HN 0.598 nan 8.360 nan 0.000 0.468 2032 K N -0.335 120.006 120.400 -0.097 0.000 2.167 2032 K HA -0.007 4.313 4.320 0.001 0.000 0.203 2032 K C -0.052 176.287 176.600 -0.436 0.000 1.052 2032 K CA 0.481 56.587 56.287 -0.302 0.000 0.956 2032 K CB 0.210 32.444 32.500 -0.443 0.000 0.735 2032 K HN -0.079 nan 8.250 nan 0.000 0.451 2033 F N 1.580 121.606 119.950 0.127 0.000 2.366 2033 F HA 0.309 4.836 4.527 0.001 0.000 0.357 2033 F C 0.473 176.403 175.800 0.218 0.000 1.107 2033 F CA -0.872 57.245 58.000 0.195 0.000 1.208 2033 F CB 1.420 40.603 39.000 0.305 0.000 1.464 2033 F HN -0.253 nan 8.300 nan 0.000 0.501 2034 K N 0.484 121.025 120.400 0.234 0.000 2.442 2034 K HA -0.135 4.186 4.320 0.001 0.000 0.198 2034 K C 1.368 178.083 176.600 0.191 0.000 1.042 2034 K CA 0.657 57.057 56.287 0.189 0.000 0.958 2034 K CB 0.133 32.697 32.500 0.106 0.000 0.766 2034 K HN 0.432 nan 8.250 nan 0.000 0.474 2035 E N 0.641 120.969 120.200 0.212 0.000 2.445 2035 E HA 0.029 4.379 4.350 0.001 0.000 0.189 2035 E C -0.810 175.897 176.600 0.178 0.000 1.069 2035 E CA -0.045 56.458 56.400 0.171 0.000 0.871 2035 E CB 0.312 30.103 29.700 0.153 0.000 0.991 2035 E HN -0.171 nan 8.360 nan 0.000 0.481 2036 V N 0.944 120.980 119.914 0.203 0.000 2.638 2036 V HA 0.263 4.383 4.120 0.001 0.000 0.306 2036 V C -0.478 175.648 176.094 0.053 0.000 1.052 2036 V CA -1.032 61.310 62.300 0.071 0.000 0.885 2036 V CB 1.930 33.684 31.823 -0.115 0.000 0.999 2036 V HN 0.048 nan 8.190 nan 0.000 0.424 2037 E N 3.783 123.956 120.200 -0.046 0.000 2.046 2037 E HA 0.401 4.752 4.350 0.001 0.000 0.279 2037 E C -1.417 175.126 176.600 -0.096 0.000 0.989 2037 E CA -0.445 55.965 56.400 0.018 0.000 0.798 2037 E CB 0.552 30.261 29.700 0.015 0.000 1.086 2037 E HN 0.497 nan 8.360 nan 0.000 0.399 2038 F N 2.970 122.934 119.950 0.024 0.000 2.384 2038 F HA 0.278 4.805 4.527 0.001 0.000 0.338 2038 F C 0.123 175.920 175.800 -0.005 0.000 1.103 2038 F CA -0.511 57.487 58.000 -0.002 0.000 1.157 2038 F CB 1.384 40.397 39.000 0.021 0.000 1.167 2038 F HN 0.126 nan 8.300 nan 0.000 0.529 2039 V N 4.504 124.485 119.914 0.112 0.000 2.483 2039 V HA 0.229 4.350 4.120 0.001 0.000 0.297 2039 V C -0.732 175.398 176.094 0.060 0.000 1.027 2039 V CA -1.043 61.296 62.300 0.065 0.000 0.855 2039 V CB 1.587 33.381 31.823 -0.049 0.000 0.995 2039 V HN 0.540 nan 8.190 nan 0.000 0.424 2040 F N 5.903 125.852 119.950 -0.002 0.000 2.467 2040 F HA 0.513 5.041 4.527 0.001 0.000 0.362 2040 F C 0.283 176.057 175.800 -0.044 0.000 1.090 2040 F CA 0.289 58.276 58.000 -0.022 0.000 1.202 2040 F CB 0.466 39.470 39.000 0.007 0.000 1.113 2040 F HN 0.375 nan 8.300 nan 0.000 0.541 2041 K N 4.655 124.710 120.400 -0.575 0.000 2.316 2041 K HA 0.622 4.943 4.320 0.001 0.000 0.251 2041 K C -1.636 174.736 176.600 -0.379 0.000 0.934 2041 K CA -0.472 55.606 56.287 -0.348 0.000 0.802 2041 K CB 1.884 34.145 32.500 -0.399 0.000 1.171 2041 K HN 0.683 nan 8.250 nan 0.000 0.426 2042 S N 1.144 116.800 115.700 -0.072 0.000 2.578 2042 S HA 0.323 4.793 4.470 0.001 0.000 0.285 2042 S C -1.774 172.892 174.600 0.110 0.000 1.126 2042 S CA -0.540 57.679 58.200 0.033 0.000 0.878 2042 S CB 1.018 64.310 63.200 0.153 0.000 1.091 2042 S HN 0.492 nan 8.310 nan 0.000 0.450 2043 S N 3.369 119.126 115.700 0.095 0.000 2.457 2043 S HA 0.377 4.847 4.470 0.001 0.000 0.289 2043 S C 0.844 175.498 174.600 0.090 0.000 1.163 2043 S CA -0.612 57.597 58.200 0.016 0.000 1.078 2043 S CB 0.337 63.519 63.200 -0.031 0.000 0.987 2043 S HN 0.679 nan 8.310 nan 0.000 0.482 2044 F N 0.749 120.799 119.950 0.167 0.000 2.558 2044 F HA 0.385 4.912 4.527 0.001 0.000 0.298 2044 F C 0.446 176.313 175.800 0.112 0.000 1.119 2044 F CA -0.189 57.915 58.000 0.173 0.000 1.451 2044 F CB -0.080 39.017 39.000 0.162 0.000 1.091 2044 F HN 0.447 nan 8.300 nan 0.000 0.563 2045 D N 0.142 120.374 120.400 -0.280 0.000 2.977 2045 D HA 0.241 4.881 4.640 0.001 0.000 0.220 2045 D C -1.448 174.649 176.300 -0.337 0.000 1.267 2045 D CA -0.654 53.202 54.000 -0.239 0.000 0.884 2045 D CB 1.261 41.967 40.800 -0.157 0.000 1.667 2045 D HN -0.180 nan 8.370 nan 0.000 0.536 2046 K N 2.964 123.195 120.400 -0.282 0.000 2.231 2046 K HA 0.497 4.818 4.320 0.001 0.000 0.255 2046 K C 0.393 176.829 176.600 -0.273 0.000 1.108 2046 K CA -0.361 55.799 56.287 -0.212 0.000 0.997 2046 K CB 0.884 33.312 32.500 -0.119 0.000 1.549 2046 K HN 0.454 nan 8.250 nan 0.000 0.419 2047 A N 2.599 125.150 122.820 -0.448 0.000 2.235 2047 A HA -0.097 4.223 4.320 0.001 0.000 0.208 2047 A C 0.982 178.479 177.584 -0.145 0.000 1.172 2047 A CA 0.737 52.536 52.037 -0.396 0.000 0.786 2047 A CB -0.593 17.955 19.000 -0.753 0.000 0.804 2047 A HN 0.816 nan 8.150 nan 0.000 0.479 2048 N N -1.562 117.099 118.700 -0.065 0.000 2.365 2048 N HA 0.119 4.859 4.740 0.001 0.000 0.257 2048 N C -0.356 175.196 175.510 0.070 0.000 1.287 2048 N CA -0.754 52.332 53.050 0.059 0.000 0.882 2048 N CB 0.487 39.086 38.487 0.188 0.000 1.250 2048 N HN -0.063 nan 8.380 nan 0.000 0.507 2049 R N 0.762 121.270 120.500 0.013 0.000 2.756 2049 R HA 0.071 4.412 4.340 0.001 0.000 0.264 2049 R C 0.967 177.288 176.300 0.036 0.000 1.026 2049 R CA 0.112 56.229 56.100 0.028 0.000 1.121 2049 R CB 0.510 30.812 30.300 0.004 0.000 0.999 2049 R HN 0.200 nan 8.270 nan 0.000 0.449 2050 S N 0.381 116.110 115.700 0.047 0.000 2.368 2050 S HA -0.091 4.380 4.470 0.001 0.000 0.224 2050 S C 1.028 175.630 174.600 0.003 0.000 1.029 2050 S CA 0.975 59.195 58.200 0.035 0.000 0.988 2050 S CB 0.053 63.278 63.200 0.043 0.000 0.838 2050 S HN 0.628 nan 8.310 nan 0.000 0.462 2051 S N 0.100 115.801 115.700 0.003 0.000 2.525 2051 S HA 0.384 4.854 4.470 0.001 0.000 0.290 2051 S C 0.703 175.263 174.600 -0.067 0.000 1.152 2051 S CA -0.685 57.500 58.200 -0.025 0.000 1.072 2051 S CB 0.945 64.158 63.200 0.022 0.000 1.027 2051 S HN 0.183 nan 8.310 nan 0.000 0.500 2052 I N 4.085 124.550 120.570 -0.175 0.000 2.614 2052 I HA 0.019 4.190 4.170 0.001 0.000 0.258 2052 I C 1.102 177.091 176.117 -0.213 0.000 1.189 2052 I CA 1.635 62.796 61.300 -0.232 0.000 1.462 2052 I CB -0.274 37.520 38.000 -0.343 0.000 1.092 2052 I HN 0.826 nan 8.210 nan 0.000 0.442 2053 H N -0.917 118.157 119.070 0.006 0.000 2.567 2053 H HA 0.346 4.903 4.556 0.001 0.000 0.294 2053 H C 0.480 175.825 175.328 0.028 0.000 1.050 2053 H CA -0.364 55.692 56.048 0.013 0.000 1.168 2053 H CB 0.102 29.872 29.762 0.013 0.000 1.422 2053 H HN 0.146 nan 8.280 nan 0.000 0.562 2054 S N 0.426 116.189 115.700 0.105 0.000 2.651 2054 S HA 0.167 4.637 4.470 0.001 0.000 0.291 2054 S C -0.477 174.191 174.600 0.112 0.000 1.141 2054 S CA -0.856 57.410 58.200 0.110 0.000 1.027 2054 S CB 1.090 64.338 63.200 0.080 0.000 1.043 2054 S HN 0.298 nan 8.310 nan 0.000 0.530 2055 F N 2.319 122.273 119.950 0.007 0.000 2.543 2055 F HA 0.206 4.733 4.527 0.001 0.000 0.375 2055 F C 1.204 176.996 175.800 -0.014 0.000 1.075 2055 F CA 0.281 58.275 58.000 -0.010 0.000 1.225 2055 F CB 0.394 39.392 39.000 -0.003 0.000 1.099 2055 F HN 0.573 nan 8.300 nan 0.000 0.561 2056 R N 3.370 123.373 120.500 -0.828 0.000 2.140 2056 R HA 0.475 4.816 4.340 0.001 0.000 0.200 2056 R C 0.659 176.331 176.300 -1.047 0.000 1.069 2056 R CA 0.217 55.892 56.100 -0.707 0.000 1.088 2056 R CB 0.173 30.253 30.300 -0.367 0.000 1.012 2056 R HN 0.914 nan 8.270 nan 0.000 0.500 2057 G N -0.746 107.273 108.800 -1.301 0.000 2.339 2057 G HA2 -0.079 3.882 3.960 0.001 0.000 0.275 2057 G HA3 -0.079 3.882 3.960 0.001 0.000 0.275 2057 G C -1.133 173.560 174.900 -0.344 0.000 1.323 2057 G CA -0.805 43.869 45.100 -0.711 0.000 0.927 2057 G HN 0.277 nan 8.290 nan 0.000 0.486 2058 H N 0.270 119.324 119.070 -0.026 0.000 2.542 2058 H HA 0.523 5.080 4.556 0.001 0.000 0.283 2058 H C 1.121 176.472 175.328 0.038 0.000 1.059 2058 H CA 1.076 57.068 56.048 -0.093 0.000 1.162 2058 H CB 0.647 30.104 29.762 -0.508 0.000 1.539 2058 H HN 1.785 nan 8.280 nan 0.000 0.543 2059 G N 0.098 109.020 108.800 0.204 0.000 2.662 2059 G HA2 -0.223 3.738 3.960 0.001 0.000 0.686 2059 G HA3 -0.223 3.738 3.960 0.001 0.000 0.686 2059 G C 0.262 175.306 174.900 0.240 0.000 1.271 2059 G CA -0.274 44.960 45.100 0.224 0.000 0.816 2059 G HN 0.221 nan 8.290 nan 0.000 0.608 2060 L N 0.280 121.551 121.223 0.080 0.000 2.046 2060 L HA 0.116 4.456 4.340 0.001 0.000 0.208 2060 L C 2.485 179.253 176.870 -0.169 0.000 1.077 2060 L CA 3.074 57.699 54.840 -0.357 0.000 0.747 2060 L CB -0.615 41.165 42.059 -0.464 0.000 0.896 2060 L HN 0.791 nan 8.230 nan 0.000 0.432 2061 E N -1.674 118.531 120.200 0.008 0.000 2.072 2061 E HA -0.266 4.085 4.350 0.001 0.000 0.190 2061 E C 2.083 178.733 176.600 0.083 0.000 0.982 2061 E CA 1.465 57.885 56.400 0.034 0.000 0.803 2061 E CB -0.368 29.370 29.700 0.064 0.000 0.755 2061 E HN 0.630 nan 8.360 nan 0.000 0.453 2062 Y N 1.079 121.409 120.300 0.050 0.000 2.274 2062 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 2062 Y C 2.187 178.132 175.900 0.075 0.000 1.145 2062 Y CA 1.635 59.777 58.100 0.069 0.000 1.203 2062 Y CB -0.272 38.262 38.460 0.123 0.000 0.984 2062 Y HN -0.007 nan 8.280 nan 0.000 0.533 2063 G N -0.800 108.190 108.800 0.317 0.000 2.394 2063 G HA2 -0.197 3.763 3.960 0.001 0.000 0.214 2063 G HA3 -0.197 3.763 3.960 0.001 0.000 0.214 2063 G C 1.600 176.573 174.900 0.122 0.000 1.176 2063 G CA 1.029 46.303 45.100 0.289 0.000 0.786 2063 G HN 0.307 nan 8.290 nan 0.000 0.533 2064 V N 0.934 120.858 119.914 0.016 0.000 2.594 2064 V HA -0.142 3.979 4.120 0.001 0.000 0.253 2064 V C 2.632 178.710 176.094 -0.026 0.000 1.069 2064 V CA 2.143 64.434 62.300 -0.015 0.000 1.082 2064 V CB -0.290 31.488 31.823 -0.075 0.000 0.680 2064 V HN 0.440 nan 8.190 nan 0.000 0.469 2065 K N 0.561 120.925 120.400 -0.061 0.000 1.984 2065 K HA -0.134 4.186 4.320 0.001 0.000 0.209 2065 K C 2.255 178.775 176.600 -0.133 0.000 1.046 2065 K CA 1.512 57.731 56.287 -0.113 0.000 0.934 2065 K CB -0.362 32.029 32.500 -0.180 0.000 0.717 2065 K HN 0.381 nan 8.250 nan 0.000 0.438 2066 A N 1.447 124.165 122.820 -0.170 0.000 1.940 2066 A HA -0.119 4.201 4.320 0.001 0.000 0.219 2066 A C 2.126 179.675 177.584 -0.057 0.000 1.176 2066 A CA 1.321 53.277 52.037 -0.135 0.000 0.631 2066 A CB -0.614 18.326 19.000 -0.100 0.000 0.814 2066 A HN 0.362 nan 8.150 nan 0.000 0.446 2067 L N -1.493 119.733 121.223 0.005 0.000 2.201 2067 L HA -0.106 4.235 4.340 0.001 0.000 0.212 2067 L C 2.812 179.667 176.870 -0.024 0.000 1.105 2067 L CA 0.890 55.746 54.840 0.027 0.000 0.775 2067 L CB -0.443 41.683 42.059 0.112 0.000 0.913 2067 L HN 0.367 nan 8.230 nan 0.000 0.440 2068 R N 0.342 120.819 120.500 -0.038 0.000 2.075 2068 R HA -0.176 4.164 4.340 0.001 0.000 0.232 2068 R C 2.299 178.551 176.300 -0.080 0.000 1.126 2068 R CA 1.170 57.241 56.100 -0.049 0.000 0.963 2068 R CB -0.051 30.218 30.300 -0.052 0.000 0.858 2068 R HN 0.056 nan 8.270 nan 0.000 0.435 2069 K N 0.512 120.850 120.400 -0.103 0.000 2.097 2069 K HA -0.088 4.233 4.320 0.001 0.000 0.206 2069 K C 1.762 178.263 176.600 -0.166 0.000 1.049 2069 K CA 1.244 57.449 56.287 -0.135 0.000 0.933 2069 K CB -0.242 32.176 32.500 -0.137 0.000 0.717 2069 K HN -0.036 nan 8.250 nan 0.000 0.442 2070 V N 1.016 120.838 119.914 -0.154 0.000 2.323 2070 V HA -0.176 3.945 4.120 0.001 0.000 0.244 2070 V C 2.419 178.464 176.094 -0.081 0.000 1.041 2070 V CA 2.062 64.269 62.300 -0.154 0.000 1.025 2070 V CB -0.518 31.041 31.823 -0.440 0.000 0.656 2070 V HN 0.432 nan 8.190 nan 0.000 0.451 2071 K N 0.191 120.546 120.400 -0.075 0.000 2.147 2071 K HA -0.205 4.116 4.320 0.001 0.000 0.205 2071 K C 1.952 178.525 176.600 -0.045 0.000 1.049 2071 K CA 1.786 58.058 56.287 -0.025 0.000 0.936 2071 K CB -0.040 32.456 32.500 -0.007 0.000 0.722 2071 K HN 0.598 nan 8.250 nan 0.000 0.446 2072 E N -0.105 120.040 120.200 -0.092 0.000 2.190 2072 E HA -0.112 4.238 4.350 0.001 0.000 0.191 2072 E C 1.632 178.121 176.600 -0.185 0.000 0.978 2072 E CA 0.598 56.931 56.400 -0.111 0.000 0.839 2072 E CB 0.237 29.873 29.700 -0.106 0.000 0.787 2072 E HN 0.378 nan 8.360 nan 0.000 0.473 2073 E N -0.590 119.421 120.200 -0.315 0.000 2.318 2073 E HA -0.040 4.311 4.350 0.001 0.000 0.193 2073 E C 0.517 176.662 176.600 -0.759 0.000 0.998 2073 E CA 0.544 56.590 56.400 -0.588 0.000 0.859 2073 E CB 0.350 29.545 29.700 -0.842 0.000 0.812 2073 E HN 0.143 nan 8.360 nan 0.000 0.492 2074 F N -1.430 118.466 119.950 -0.090 0.000 2.817 2074 F HA 0.345 4.873 4.527 0.001 0.000 0.333 2074 F C 1.148 176.917 175.800 -0.052 0.000 1.085 2074 F CA 0.284 58.237 58.000 -0.078 0.000 1.170 2074 F CB 1.199 40.136 39.000 -0.105 0.000 1.066 2074 F HN 0.019 nan 8.300 nan 0.000 0.564 2075 G N 2.037 110.887 108.800 0.083 0.000 2.249 2075 G HA2 -0.296 3.664 3.960 0.001 0.000 0.273 2075 G HA3 -0.296 3.664 3.960 0.001 0.000 0.273 2075 G C -0.077 174.875 174.900 0.086 0.000 1.036 2075 G CA 0.056 45.193 45.100 0.061 0.000 0.824 2075 G HN 0.294 nan 8.290 nan 0.000 0.504 2076 L N -0.539 120.745 121.223 0.102 0.000 2.343 2076 L HA 0.459 4.799 4.340 0.001 0.000 0.275 2076 L C 1.145 178.078 176.870 0.105 0.000 1.056 2076 L CA -0.944 53.964 54.840 0.113 0.000 0.804 2076 L CB 1.105 43.240 42.059 0.126 0.000 1.203 2076 L HN 0.050 nan 8.230 nan 0.000 0.440 2077 K N 2.132 122.602 120.400 0.117 0.000 2.276 2077 K HA 0.392 4.712 4.320 0.001 0.000 0.259 2077 K C -0.678 176.000 176.600 0.130 0.000 1.001 2077 K CA -0.333 56.015 56.287 0.102 0.000 0.927 2077 K CB 0.796 33.349 32.500 0.088 0.000 0.969 2077 K HN 0.281 nan 8.250 nan 0.000 0.490 2078 I N 0.591 121.229 120.570 0.112 0.000 2.785 2078 I HA 0.303 4.474 4.170 0.001 0.000 0.302 2078 I C -0.008 176.171 176.117 0.103 0.000 1.069 2078 I CA -0.434 60.954 61.300 0.146 0.000 1.045 2078 I CB 1.889 39.971 38.000 0.136 0.000 1.236 2078 I HN 0.576 nan 8.210 nan 0.000 0.429 2079 T N 2.489 117.106 114.554 0.105 0.000 3.041 2079 T HA 0.627 4.977 4.350 0.001 0.000 0.321 2079 T C -1.060 173.685 174.700 0.076 0.000 1.184 2079 T CA -0.204 61.933 62.100 0.062 0.000 1.050 2079 T CB 1.580 70.452 68.868 0.007 0.000 1.159 2079 T HN 0.880 nan 8.240 nan 0.000 0.469 2080 T N 2.263 116.864 114.554 0.078 0.000 2.821 2080 T HA 0.581 4.931 4.350 0.001 0.000 0.306 2080 T C -2.066 172.639 174.700 0.009 0.000 1.313 2080 T CA -0.687 61.460 62.100 0.079 0.000 1.012 2080 T CB 1.528 70.519 68.868 0.206 0.000 1.298 2080 T HN 0.794 nan 8.240 nan 0.000 0.502 2081 D N 2.228 122.561 120.400 -0.112 0.000 2.181 2081 D HA 0.544 5.185 4.640 0.001 0.000 0.248 2081 D C 0.267 176.281 176.300 -0.477 0.000 1.020 2081 D CA -0.686 53.158 54.000 -0.260 0.000 0.891 2081 D CB 1.025 41.648 40.800 -0.295 0.000 1.187 2081 D HN 0.786 nan 8.370 nan 0.000 0.443 2082 I N -2.330 117.969 120.570 -0.452 0.000 2.707 2082 I HA 0.499 4.669 4.170 0.001 0.000 0.309 2082 I C -0.337 175.339 176.117 -0.736 0.000 1.001 2082 I CA -0.941 60.090 61.300 -0.449 0.000 1.129 2082 I CB 1.762 39.654 38.000 -0.180 0.000 1.308 2082 I HN 0.319 nan 8.210 nan 0.000 0.466 2083 H N 0.373 119.386 119.070 -0.095 0.000 3.255 2083 H HA 0.448 5.005 4.556 0.001 0.000 0.256 2083 H C -0.594 174.705 175.328 -0.048 0.000 1.049 2083 H CA -0.227 55.781 56.048 -0.066 0.000 1.202 2083 H CB 0.766 30.496 29.762 -0.054 0.000 1.497 2083 H HN 0.599 nan 8.280 nan 0.000 0.503 2084 E N -0.413 119.753 120.200 -0.057 0.000 2.366 2084 E HA 0.270 4.620 4.350 0.001 0.000 0.278 2084 E C 0.046 176.553 176.600 -0.155 0.000 0.923 2084 E CA -0.319 56.057 56.400 -0.040 0.000 0.761 2084 E CB 2.455 32.220 29.700 0.107 0.000 1.231 2084 E HN -0.045 nan 8.360 nan 0.000 0.443 2085 S N 1.425 117.130 115.700 0.008 0.000 2.380 2085 S HA -0.187 4.283 4.470 0.001 0.000 0.229 2085 S C 1.557 176.183 174.600 0.044 0.000 1.043 2085 S CA 1.929 60.149 58.200 0.034 0.000 1.038 2085 S CB -0.281 62.980 63.200 0.103 0.000 0.872 2085 S HN 0.738 nan 8.310 nan 0.000 0.456 2086 W N 1.791 123.123 121.300 0.055 0.000 2.468 2086 W HA -0.088 4.573 4.660 0.001 0.000 0.262 2086 W C 1.166 177.713 176.519 0.047 0.000 1.241 2086 W CA 0.755 58.127 57.345 0.045 0.000 1.232 2086 W CB -0.801 28.684 29.460 0.042 0.000 1.124 2086 W HN 0.424 nan 8.180 nan 0.000 0.597 2087 Q N 0.804 120.235 119.800 -0.614 0.000 2.331 2087 Q HA 0.049 4.389 4.340 0.001 0.000 0.203 2087 Q C 2.693 178.567 176.000 -0.209 0.000 0.944 2087 Q CA 1.066 56.509 55.803 -0.600 0.000 0.892 2087 Q CB -0.254 28.031 28.738 -0.755 0.000 0.983 2087 Q HN 0.286 nan 8.270 nan 0.000 0.482 2088 A N 1.884 124.632 122.820 -0.120 0.000 1.873 2088 A HA -0.309 4.012 4.320 0.001 0.000 0.218 2088 A C 1.966 179.542 177.584 -0.014 0.000 1.193 2088 A CA 1.855 53.865 52.037 -0.046 0.000 0.629 2088 A CB -0.571 18.418 19.000 -0.018 0.000 0.826 2088 A HN 0.423 nan 8.150 nan 0.000 0.447 2089 E N -0.518 119.689 120.200 0.013 0.000 2.023 2089 E HA -0.165 4.186 4.350 0.001 0.000 0.196 2089 E C -0.458 176.153 176.600 0.019 0.000 1.003 2089 E CA 1.551 57.968 56.400 0.028 0.000 0.809 2089 E CB -0.616 29.117 29.700 0.055 0.000 0.755 2089 E HN 0.509 nan 8.360 nan 0.000 0.449 2090 P HA -0.121 nan 4.420 nan 0.000 0.217 2090 P C 1.602 178.883 177.300 -0.031 0.000 1.150 2090 P CA 1.036 64.138 63.100 0.003 0.000 0.832 2090 P CB 0.022 31.735 31.700 0.023 0.000 0.787 2091 V N 0.861 120.744 119.914 -0.052 0.000 2.453 2091 V HA -0.144 3.976 4.120 0.001 0.000 0.247 2091 V C 2.775 178.873 176.094 0.007 0.000 1.048 2091 V CA 1.872 64.153 62.300 -0.032 0.000 1.049 2091 V CB -1.592 30.231 31.823 -0.001 0.000 0.672 2091 V HN 0.093 nan 8.190 nan 0.000 0.457 2092 A N -0.466 122.359 122.820 0.008 0.000 2.178 2092 A HA -0.177 4.144 4.320 0.001 0.000 0.218 2092 A C 2.091 179.686 177.584 0.018 0.000 1.157 2092 A CA 1.285 53.333 52.037 0.018 0.000 0.689 2092 A CB -0.324 18.687 19.000 0.017 0.000 0.787 2092 A HN 0.569 nan 8.150 nan 0.000 0.465 2093 E N -0.370 119.837 120.200 0.011 0.000 2.106 2093 E HA -0.103 4.248 4.350 0.001 0.000 0.192 2093 E C 1.745 178.352 176.600 0.012 0.000 0.984 2093 E CA 1.616 58.022 56.400 0.009 0.000 0.806 2093 E CB -0.161 29.540 29.700 0.002 0.000 0.750 2093 E HN 0.504 nan 8.360 nan 0.000 0.458 2094 V N 0.115 120.039 119.914 0.018 0.000 3.307 2094 V HA 0.219 4.339 4.120 0.001 0.000 0.244 2094 V C 0.905 177.026 176.094 0.045 0.000 1.196 2094 V CA 0.440 62.755 62.300 0.026 0.000 1.132 2094 V CB 0.282 32.119 31.823 0.024 0.000 0.875 2094 V HN 0.063 nan 8.190 nan 0.000 0.468 2095 A N 0.745 123.596 122.820 0.052 0.000 2.404 2095 A HA 0.213 4.533 4.320 0.001 0.000 0.273 2095 A C 0.936 178.554 177.584 0.056 0.000 1.144 2095 A CA -0.076 52.000 52.037 0.065 0.000 0.806 2095 A CB -0.054 18.990 19.000 0.072 0.000 1.080 2095 A HN 0.377 nan 8.150 nan 0.000 0.509 2096 D N 1.658 122.094 120.400 0.061 0.000 2.194 2096 D HA 0.035 4.676 4.640 0.001 0.000 0.204 2096 D C 0.193 176.532 176.300 0.066 0.000 0.964 2096 D CA 1.466 55.502 54.000 0.060 0.000 0.846 2096 D CB 0.246 41.083 40.800 0.063 0.000 0.962 2096 D HN 0.579 nan 8.370 nan 0.000 0.490 2097 I N 1.448 122.053 120.570 0.060 0.000 2.466 2097 I HA 0.267 4.438 4.170 0.001 0.000 0.289 2097 I C -0.413 175.733 176.117 0.049 0.000 1.026 2097 I CA -0.601 60.737 61.300 0.063 0.000 1.078 2097 I CB 2.709 40.727 38.000 0.030 0.000 1.249 2097 I HN -0.302 nan 8.210 nan 0.000 0.429 2098 I N 5.701 126.300 120.570 0.048 0.000 2.342 2098 I HA 0.224 4.395 4.170 0.001 0.000 0.291 2098 I C 0.127 176.249 176.117 0.008 0.000 1.010 2098 I CA -0.274 61.042 61.300 0.025 0.000 1.308 2098 I CB 1.329 39.339 38.000 0.017 0.000 1.400 2098 I HN 0.591 nan 8.210 nan 0.000 0.488 2099 Q N 6.441 126.229 119.800 -0.020 0.000 2.241 2099 Q HA 0.416 4.757 4.340 0.001 0.000 0.254 2099 Q C -1.139 174.800 176.000 -0.101 0.000 0.917 2099 Q CA -0.715 55.059 55.803 -0.049 0.000 0.919 2099 Q CB 1.426 30.140 28.738 -0.040 0.000 1.237 2099 Q HN 0.478 nan 8.270 nan 0.000 0.434 2100 I N 6.349 126.862 120.570 -0.095 0.000 2.339 2100 I HA 0.344 4.515 4.170 0.001 0.000 0.290 2100 I C -2.169 173.867 176.117 -0.134 0.000 0.994 2100 I CA -2.601 58.636 61.300 -0.105 0.000 1.191 2100 I CB 0.953 38.919 38.000 -0.057 0.000 1.343 2100 I HN 0.536 nan 8.210 nan 0.000 0.458 2101 P HA 0.038 nan 4.420 nan 0.000 0.267 2101 P C 0.612 177.825 177.300 -0.145 0.000 1.200 2101 P CA 0.145 63.148 63.100 -0.162 0.000 0.772 2101 P CB 0.873 32.524 31.700 -0.082 0.000 0.855 2102 A N 2.467 125.131 122.820 -0.259 0.000 1.883 2102 A HA -0.214 4.107 4.320 0.001 0.000 0.217 2102 A C 1.681 179.285 177.584 0.035 0.000 1.186 2102 A CA 1.739 53.638 52.037 -0.230 0.000 0.624 2102 A CB -1.593 17.179 19.000 -0.379 0.000 0.822 2102 A HN 0.504 nan 8.150 nan 0.000 0.444 2103 F N -0.208 119.790 119.950 0.080 0.000 2.333 2103 F HA 0.010 4.537 4.527 0.001 0.000 0.300 2103 F C 1.617 177.531 175.800 0.191 0.000 1.083 2103 F CA 0.421 58.549 58.000 0.214 0.000 1.395 2103 F CB -0.578 38.494 39.000 0.120 0.000 1.056 2103 F HN 0.102 nan 8.300 nan 0.000 0.529 2104 L N -0.383 121.002 121.223 0.269 0.000 2.700 2104 L HA 0.082 4.422 4.340 0.001 0.000 0.234 2104 L C 1.910 178.853 176.870 0.122 0.000 1.156 2104 L CA -0.058 54.882 54.840 0.168 0.000 0.946 2104 L CB -0.752 41.368 42.059 0.101 0.000 1.216 2104 L HN 0.242 nan 8.230 nan 0.000 0.493 2105 C N -1.464 117.918 119.300 0.137 0.000 2.430 2105 C HA 0.006 4.466 4.460 0.001 0.000 0.288 2105 C C 2.177 177.224 174.990 0.095 0.000 1.448 2105 C CA -0.060 58.999 59.018 0.070 0.000 1.784 2105 C CB -0.906 26.830 27.740 -0.008 0.000 1.776 2105 C HN 0.470 nan 8.230 nan 0.000 0.547 2106 R N -0.102 120.490 120.500 0.153 0.000 2.397 2106 R HA 0.148 4.489 4.340 0.001 0.000 0.241 2106 R C 0.093 176.431 176.300 0.063 0.000 0.914 2106 R CA -0.009 56.157 56.100 0.110 0.000 1.071 2106 R CB -0.018 30.369 30.300 0.144 0.000 1.116 2106 R HN 0.559 nan 8.270 nan 0.000 0.524 2107 Q N 1.313 121.151 119.800 0.064 0.000 2.381 2107 Q HA 0.067 4.408 4.340 0.001 0.000 0.243 2107 Q C 0.794 176.816 176.000 0.037 0.000 1.154 2107 Q CA 0.307 56.137 55.803 0.045 0.000 0.899 2107 Q CB 0.946 29.715 28.738 0.052 0.000 1.396 2107 Q HN 0.057 nan 8.270 nan 0.000 0.485 2108 T N 1.586 116.157 114.554 0.028 0.000 2.624 2108 T HA -0.187 4.163 4.350 0.001 0.000 0.268 2108 T C 0.919 175.644 174.700 0.041 0.000 1.041 2108 T CA 1.764 63.881 62.100 0.027 0.000 1.159 2108 T CB 0.065 68.940 68.868 0.012 0.000 0.863 2108 T HN 0.492 nan 8.240 nan 0.000 0.434 2109 D N 0.636 121.062 120.400 0.043 0.000 2.178 2109 D HA -0.031 4.610 4.640 0.001 0.000 0.201 2109 D C 2.012 178.340 176.300 0.047 0.000 0.980 2109 D CA 0.510 54.542 54.000 0.052 0.000 0.842 2109 D CB -0.360 40.474 40.800 0.056 0.000 0.948 2109 D HN 0.194 nan 8.370 nan 0.000 0.472 2110 L N 0.478 121.724 121.223 0.038 0.000 2.072 2110 L HA -0.053 4.288 4.340 0.001 0.000 0.205 2110 L C 2.206 179.086 176.870 0.017 0.000 1.079 2110 L CA 1.181 56.034 54.840 0.020 0.000 0.752 2110 L CB -0.410 41.657 42.059 0.013 0.000 0.906 2110 L HN -0.023 nan 8.230 nan 0.000 0.436 2111 L N -1.418 119.821 121.223 0.027 0.000 2.056 2111 L HA -0.226 4.114 4.340 0.001 0.000 0.207 2111 L C 2.439 179.335 176.870 0.043 0.000 1.078 2111 L CA 1.172 56.030 54.840 0.030 0.000 0.749 2111 L CB -0.553 41.526 42.059 0.034 0.000 0.901 2111 L HN 0.272 nan 8.230 nan 0.000 0.433 2112 L N -0.518 120.740 121.223 0.058 0.000 2.056 2112 L HA -0.158 4.183 4.340 0.001 0.000 0.207 2112 L C 2.888 179.787 176.870 0.049 0.000 1.078 2112 L CA 1.056 55.939 54.840 0.073 0.000 0.749 2112 L CB -0.763 41.355 42.059 0.100 0.000 0.901 2112 L HN 0.232 nan 8.230 nan 0.000 0.433 2113 A N 0.144 122.989 122.820 0.042 0.000 1.933 2113 A HA -0.159 4.161 4.320 0.001 0.000 0.218 2113 A C 2.526 180.122 177.584 0.020 0.000 1.175 2113 A CA 1.759 53.816 52.037 0.033 0.000 0.628 2113 A CB -0.596 18.423 19.000 0.030 0.000 0.814 2113 A HN 0.406 nan 8.150 nan 0.000 0.444 2114 A N -0.115 122.714 122.820 0.015 0.000 1.855 2114 A HA 0.209 4.530 4.320 0.001 0.000 0.215 2114 A C 2.527 180.122 177.584 0.019 0.000 1.191 2114 A CA 1.984 54.027 52.037 0.011 0.000 0.613 2114 A CB -1.128 17.876 19.000 0.006 0.000 0.829 2114 A HN 1.089 nan 8.150 nan 0.000 0.442 2115 A N -0.380 122.454 122.820 0.023 0.000 1.978 2115 A HA -0.194 4.126 4.320 0.001 0.000 0.220 2115 A C 2.112 179.701 177.584 0.010 0.000 1.170 2115 A CA 2.006 54.055 52.037 0.019 0.000 0.636 2115 A CB -0.478 18.537 19.000 0.025 0.000 0.810 2115 A HN 0.540 nan 8.150 nan 0.000 0.448 2116 K N -0.298 120.109 120.400 0.012 0.000 2.147 2116 K HA -0.157 4.163 4.320 0.001 0.000 0.205 2116 K C 2.032 178.636 176.600 0.008 0.000 1.049 2116 K CA 1.804 58.094 56.287 0.006 0.000 0.936 2116 K CB -0.282 32.227 32.500 0.014 0.000 0.722 2116 K HN 0.695 nan 8.250 nan 0.000 0.446 2117 T N -3.308 111.254 114.554 0.013 0.000 3.007 2117 T HA 0.024 4.374 4.350 0.001 0.000 0.270 2117 T C 1.450 176.158 174.700 0.014 0.000 1.107 2117 T CA 1.136 63.245 62.100 0.015 0.000 1.118 2117 T CB -0.147 68.732 68.868 0.017 0.000 0.889 2117 T HN 0.413 nan 8.240 nan 0.000 0.506 2118 G N 1.256 110.063 108.800 0.012 0.000 2.199 2118 G HA2 -0.234 3.726 3.960 0.001 0.000 0.254 2118 G HA3 -0.234 3.726 3.960 0.001 0.000 0.254 2118 G C 0.384 175.297 174.900 0.020 0.000 0.982 2118 G CA -0.010 45.097 45.100 0.011 0.000 0.632 2118 G HN 0.628 nan 8.290 nan 0.000 0.529 2119 R N 0.682 121.199 120.500 0.028 0.000 2.652 2119 R HA 0.705 5.045 4.340 0.001 0.000 0.271 2119 R C 0.939 177.270 176.300 0.052 0.000 1.129 2119 R CA 0.263 56.388 56.100 0.041 0.000 1.200 2119 R CB -0.059 30.266 30.300 0.042 0.000 1.146 2119 R HN 0.693 nan 8.270 nan 0.000 0.581 2120 A N 0.566 123.434 122.820 0.080 0.000 2.332 2120 A HA 0.428 4.748 4.320 0.001 0.000 0.258 2120 A C -0.370 177.289 177.584 0.125 0.000 1.087 2120 A CA -0.377 51.731 52.037 0.119 0.000 0.802 2120 A CB 0.624 19.756 19.000 0.219 0.000 1.042 2120 A HN 0.317 nan 8.150 nan 0.000 0.489 2121 V N 2.198 122.197 119.914 0.142 0.000 2.531 2121 V HA 0.347 4.467 4.120 0.001 0.000 0.301 2121 V C -0.141 176.065 176.094 0.187 0.000 1.034 2121 V CA -0.725 61.647 62.300 0.119 0.000 0.865 2121 V CB 1.683 33.544 31.823 0.063 0.000 0.995 2121 V HN 0.973 nan 8.190 nan 0.000 0.424 2122 N N 3.282 122.061 118.700 0.133 0.000 2.446 2122 N HA 0.563 5.303 4.740 0.001 0.000 0.265 2122 N C -1.326 174.197 175.510 0.021 0.000 0.975 2122 N CA -0.405 52.716 53.050 0.118 0.000 0.928 2122 N CB 1.751 40.256 38.487 0.030 0.000 1.160 2122 N HN 0.452 nan 8.380 nan 0.000 0.495 2123 V N 4.152 124.075 119.914 0.015 0.000 2.350 2123 V HA 0.245 4.366 4.120 0.001 0.000 0.276 2123 V C 0.193 176.226 176.094 -0.101 0.000 1.028 2123 V CA -0.779 61.496 62.300 -0.041 0.000 0.860 2123 V CB 1.060 32.871 31.823 -0.020 0.000 0.990 2123 V HN 0.575 nan 8.190 nan 0.000 0.453 2124 K N 3.971 124.270 120.400 -0.169 0.000 2.383 2124 K HA 0.146 4.467 4.320 0.001 0.000 0.286 2124 K C 0.148 176.613 176.600 -0.225 0.000 1.051 2124 K CA -0.117 56.018 56.287 -0.253 0.000 0.974 2124 K CB 0.658 32.954 32.500 -0.340 0.000 0.968 2124 K HN 0.614 nan 8.250 nan 0.000 0.475 2125 K N 1.834 122.097 120.400 -0.229 0.000 2.412 2125 K HA 0.070 4.390 4.320 0.001 0.000 0.284 2125 K C 0.331 176.720 176.600 -0.352 0.000 1.046 2125 K CA -0.096 56.041 56.287 -0.249 0.000 0.999 2125 K CB 0.384 32.756 32.500 -0.213 0.000 0.941 2125 K HN 0.695 nan 8.250 nan 0.000 0.474 2126 G N 3.191 111.686 108.800 -0.508 0.000 2.484 2126 G HA2 -0.101 3.860 3.960 0.001 0.000 0.235 2126 G HA3 -0.101 3.860 3.960 0.001 0.000 0.235 2126 G C 0.164 174.620 174.900 -0.740 0.000 1.282 2126 G CA -0.398 44.193 45.100 -0.850 0.000 0.857 2126 G HN 0.806 nan 8.290 nan 0.000 0.571 2127 Q N 0.581 120.142 119.800 -0.399 0.000 2.500 2127 Q HA -0.008 4.332 4.340 0.001 0.000 0.213 2127 Q C 1.585 177.534 176.000 -0.086 0.000 0.974 2127 Q CA 1.189 56.907 55.803 -0.141 0.000 0.918 2127 Q CB -0.144 28.645 28.738 0.085 0.000 0.980 2127 Q HN 0.817 nan 8.270 nan 0.000 0.505 2128 F N -3.089 116.874 119.950 0.023 0.000 2.721 2128 F HA 0.350 4.877 4.527 0.001 0.000 0.301 2128 F C 0.222 176.002 175.800 -0.034 0.000 1.096 2128 F CA -0.828 57.174 58.000 0.003 0.000 1.308 2128 F CB 0.060 39.068 39.000 0.014 0.000 1.086 2128 F HN -0.142 nan 8.300 nan 0.000 0.587 2129 L N 1.962 122.959 121.223 -0.376 0.000 2.312 2129 L HA 0.685 5.025 4.340 0.001 0.000 0.281 2129 L C 0.319 177.022 176.870 -0.278 0.000 1.070 2129 L CA -1.005 53.680 54.840 -0.258 0.000 0.805 2129 L CB 1.044 42.878 42.059 -0.376 0.000 1.174 2129 L HN 0.239 nan 8.230 nan 0.000 0.434 2130 A N 5.629 128.251 122.820 -0.331 0.000 2.302 2130 A HA 0.569 4.889 4.320 0.001 0.000 0.285 2130 A C -1.807 175.336 177.584 -0.735 0.000 1.105 2130 A CA -1.156 50.487 52.037 -0.658 0.000 0.816 2130 A CB 0.022 18.483 19.000 -0.899 0.000 1.067 2130 A HN 0.728 nan 8.150 nan 0.000 0.489 2131 P HA -0.193 nan 4.420 nan 0.000 0.215 2131 P C 0.965 178.232 177.300 -0.056 0.000 1.157 2131 P CA 2.225 65.106 63.100 -0.366 0.000 0.874 2131 P CB -0.136 31.402 31.700 -0.270 0.000 0.790 2132 W N -0.387 121.048 121.300 0.225 0.000 2.525 2132 W HA -0.007 4.654 4.660 0.001 0.000 0.259 2132 W C 0.958 177.511 176.519 0.057 0.000 1.253 2132 W CA 0.586 58.108 57.345 0.295 0.000 1.262 2132 W CB -1.834 27.755 29.460 0.214 0.000 1.122 2132 W HN -0.101 nan 8.180 nan 0.000 0.607 2133 D N 0.953 121.316 120.400 -0.062 0.000 2.371 2133 D HA -0.123 4.517 4.640 0.001 0.000 0.221 2133 D C 2.056 178.288 176.300 -0.113 0.000 0.986 2133 D CA 1.895 55.862 54.000 -0.054 0.000 0.899 2133 D CB -0.470 40.283 40.800 -0.077 0.000 0.902 2133 D HN 0.412 nan 8.370 nan 0.000 0.530 2134 T N -1.896 112.603 114.554 -0.091 0.000 3.085 2134 T HA -0.035 4.315 4.350 0.001 0.000 0.263 2134 T C 1.731 176.184 174.700 -0.411 0.000 1.127 2134 T CA 0.377 62.418 62.100 -0.098 0.000 1.103 2134 T CB 0.186 69.134 68.868 0.133 0.000 0.921 2134 T HN 0.050 nan 8.240 nan 0.000 0.510 2135 K N 1.585 121.436 120.400 -0.916 0.000 2.063 2135 K HA -0.127 4.193 4.320 0.001 0.000 0.208 2135 K C 2.055 178.295 176.600 -0.599 0.000 1.048 2135 K CA 1.702 57.132 56.287 -1.429 0.000 0.928 2135 K CB -0.339 31.200 32.500 -1.602 0.000 0.713 2135 K HN 0.513 nan 8.250 nan 0.000 0.442 2136 N N -0.342 118.138 118.700 -0.367 0.000 2.309 2136 N HA -0.113 4.628 4.740 0.001 0.000 0.182 2136 N C 1.592 177.017 175.510 -0.142 0.000 1.018 2136 N CA 0.736 53.664 53.050 -0.202 0.000 0.876 2136 N CB 0.205 38.613 38.487 -0.132 0.000 0.972 2136 N HN -0.030 nan 8.380 nan 0.000 0.434 2137 V N 0.527 120.358 119.914 -0.137 0.000 2.358 2137 V HA -0.160 3.960 4.120 0.001 0.000 0.246 2137 V C 2.179 178.242 176.094 -0.053 0.000 1.047 2137 V CA 1.206 63.464 62.300 -0.070 0.000 1.035 2137 V CB -0.316 31.477 31.823 -0.051 0.000 0.658 2137 V HN 0.133 nan 8.190 nan 0.000 0.452 2138 V N 0.058 119.921 119.914 -0.085 0.000 2.307 2138 V HA -0.279 3.842 4.120 0.001 0.000 0.245 2138 V C 2.464 178.547 176.094 -0.019 0.000 1.045 2138 V CA 2.270 64.551 62.300 -0.032 0.000 1.024 2138 V CB -0.577 31.236 31.823 -0.016 0.000 0.651 2138 V HN 0.682 nan 8.190 nan 0.000 0.449 2139 E N 0.415 120.580 120.200 -0.059 0.000 2.097 2139 E HA -0.296 4.054 4.350 0.001 0.000 0.196 2139 E C 2.243 178.867 176.600 0.039 0.000 1.000 2139 E CA 1.700 58.089 56.400 -0.018 0.000 0.804 2139 E CB -0.074 29.587 29.700 -0.064 0.000 0.740 2139 E HN 0.584 nan 8.360 nan 0.000 0.454 2140 K N 0.171 120.580 120.400 0.015 0.000 2.032 2140 K HA -0.150 4.170 4.320 0.001 0.000 0.209 2140 K C 2.354 179.031 176.600 0.129 0.000 1.048 2140 K CA 1.499 57.823 56.287 0.061 0.000 0.927 2140 K CB -0.214 32.298 32.500 0.021 0.000 0.712 2140 K HN 0.214 nan 8.250 nan 0.000 0.441 2141 L N 1.223 122.490 121.223 0.073 0.000 2.042 2141 L HA -0.234 4.107 4.340 0.001 0.000 0.210 2141 L C 2.384 179.296 176.870 0.069 0.000 1.076 2141 L CA 1.463 56.342 54.840 0.065 0.000 0.749 2141 L CB -0.371 41.711 42.059 0.038 0.000 0.893 2141 L HN 0.173 nan 8.230 nan 0.000 0.432 2142 K N -0.584 119.859 120.400 0.073 0.000 2.057 2142 K HA -0.216 4.104 4.320 0.001 0.000 0.207 2142 K C 2.090 178.738 176.600 0.080 0.000 1.049 2142 K CA 1.581 57.905 56.287 0.062 0.000 0.931 2142 K CB -0.334 32.203 32.500 0.062 0.000 0.714 2142 K HN 0.108 nan 8.250 nan 0.000 0.440 2143 F N 1.343 121.289 119.950 -0.007 0.000 2.202 2143 F HA -0.111 4.416 4.527 0.001 0.000 0.301 2143 F C 1.840 177.640 175.800 -0.001 0.000 1.082 2143 F CA 1.628 59.625 58.000 -0.005 0.000 1.313 2143 F CB -0.347 38.648 39.000 -0.007 0.000 1.024 2143 F HN -0.019 nan 8.300 nan 0.000 0.495 2144 G N -1.151 107.682 108.800 0.055 0.000 2.920 2144 G HA2 0.277 4.238 3.960 0.001 0.000 0.208 2144 G HA3 0.277 4.238 3.960 0.001 0.000 0.208 2144 G C 1.316 176.172 174.900 -0.073 0.000 1.159 2144 G CA 0.347 45.431 45.100 -0.026 0.000 0.784 2144 G HN 0.980 nan 8.290 nan 0.000 0.535 2145 G N -1.479 107.275 108.800 -0.077 0.000 2.159 2145 G HA2 0.128 4.088 3.960 0.001 0.000 0.227 2145 G HA3 0.128 4.088 3.960 0.001 0.000 0.227 2145 G C 0.504 175.389 174.900 -0.025 0.000 0.986 2145 G CA 0.154 45.217 45.100 -0.061 0.000 0.651 2145 G HN 1.289 nan 8.290 nan 0.000 0.523 2146 A N -0.214 122.603 122.820 -0.006 0.000 2.425 2146 A HA 0.737 5.057 4.320 0.001 0.000 0.249 2146 A C 1.123 178.703 177.584 -0.006 0.000 1.084 2146 A CA 1.058 53.095 52.037 0.001 0.000 0.781 2146 A CB 0.485 19.493 19.000 0.013 0.000 1.019 2146 A HN 0.364 nan 8.150 nan 0.000 0.490 2147 K N 0.505 120.897 120.400 -0.013 0.000 2.380 2147 K HA 0.110 4.430 4.320 0.001 0.000 0.200 2147 K C 0.212 176.779 176.600 -0.055 0.000 1.201 2147 K CA 0.175 56.448 56.287 -0.024 0.000 0.916 2147 K CB 0.478 32.969 32.500 -0.016 0.000 1.187 2147 K HN 0.790 nan 8.250 nan 0.000 0.498 2148 E N 2.302 122.465 120.200 -0.062 0.000 1.993 2148 E HA 0.242 4.593 4.350 0.001 0.000 0.271 2148 E C -1.132 175.346 176.600 -0.203 0.000 1.008 2148 E CA -0.174 56.136 56.400 -0.149 0.000 0.814 2148 E CB 0.310 29.974 29.700 -0.061 0.000 1.098 2148 E HN 0.127 nan 8.360 nan 0.000 0.407 2149 I N 4.368 124.767 120.570 -0.285 0.000 2.404 2149 I HA 0.308 4.478 4.170 0.001 0.000 0.293 2149 I C -0.893 175.035 176.117 -0.315 0.000 0.992 2149 I CA -0.845 60.342 61.300 -0.188 0.000 1.149 2149 I CB 0.988 38.953 38.000 -0.059 0.000 1.315 2149 I HN 0.434 nan 8.210 nan 0.000 0.446 2150 Y N 5.739 126.047 120.300 0.014 0.000 2.446 2150 Y HA 0.636 5.187 4.550 0.001 0.000 0.345 2150 Y C -0.468 175.430 175.900 -0.004 0.000 0.984 2150 Y CA -0.833 57.268 58.100 0.003 0.000 1.058 2150 Y CB 1.904 40.356 38.460 -0.013 0.000 1.220 2150 Y HN 0.280 nan 8.280 nan 0.000 0.455 2151 L N 2.797 124.116 121.223 0.160 0.000 2.333 2151 L HA 0.579 4.919 4.340 0.001 0.000 0.280 2151 L C -0.622 176.261 176.870 0.021 0.000 1.004 2151 L CA -0.552 54.331 54.840 0.071 0.000 0.820 2151 L CB 2.039 44.152 42.059 0.089 0.000 1.247 2151 L HN 0.643 nan 8.230 nan 0.000 0.416 2152 T N 1.229 115.746 114.554 -0.061 0.000 2.771 2152 T HA 0.236 4.587 4.350 0.001 0.000 0.281 2152 T C -0.330 174.268 174.700 -0.170 0.000 0.982 2152 T CA -0.433 61.587 62.100 -0.134 0.000 0.978 2152 T CB 1.623 70.336 68.868 -0.260 0.000 0.930 2152 T HN 0.399 nan 8.240 nan 0.000 0.447 2153 E N 2.552 122.675 120.200 -0.129 0.000 2.223 2153 E HA 0.285 4.635 4.350 0.001 0.000 0.282 2153 E C 0.440 176.900 176.600 -0.233 0.000 1.046 2153 E CA -0.576 55.745 56.400 -0.130 0.000 0.857 2153 E CB 0.441 30.139 29.700 -0.003 0.000 1.055 2153 E HN 0.620 nan 8.360 nan 0.000 0.409 2154 R N 3.062 123.413 120.500 -0.248 0.000 2.592 2154 R HA 0.502 4.842 4.340 0.001 0.000 0.439 2154 R C 0.184 176.374 176.300 -0.184 0.000 0.995 2154 R CA -0.164 55.773 56.100 -0.271 0.000 1.141 2154 R CB 0.079 30.172 30.300 -0.345 0.000 1.495 2154 R HN 0.633 nan 8.270 nan 0.000 0.579 2155 G N -0.008 108.693 108.800 -0.165 0.000 2.662 2155 G HA2 -0.037 3.924 3.960 0.001 0.000 0.686 2155 G HA3 -0.037 3.924 3.960 0.001 0.000 0.686 2155 G C -0.869 173.957 174.900 -0.123 0.000 1.271 2155 G CA -0.439 44.584 45.100 -0.129 0.000 0.816 2155 G HN 0.200 nan 8.290 nan 0.000 0.608 2156 T N 0.751 115.251 114.554 -0.090 0.000 2.900 2156 T HA 0.652 5.003 4.350 0.001 0.000 0.295 2156 T C 0.404 175.123 174.700 0.032 0.000 1.044 2156 T CA -0.044 62.020 62.100 -0.060 0.000 0.995 2156 T CB 1.730 70.546 68.868 -0.088 0.000 1.072 2156 T HN 0.881 nan 8.240 nan 0.000 0.473 2157 T N 2.943 117.538 114.554 0.068 0.000 2.831 2157 T HA 0.158 4.508 4.350 0.001 0.000 0.291 2157 T C -0.761 174.047 174.700 0.179 0.000 0.981 2157 T CA 0.533 62.706 62.100 0.121 0.000 1.174 2157 T CB -0.454 68.486 68.868 0.120 0.000 0.929 2157 T HN 0.416 nan 8.240 nan 0.000 0.532 2158 F N 4.092 124.032 119.950 -0.016 0.000 2.691 2158 F HA 0.525 5.052 4.527 0.001 0.000 0.371 2158 F C 0.690 176.455 175.800 -0.057 0.000 1.159 2158 F CA 0.009 57.985 58.000 -0.039 0.000 1.174 2158 F CB -0.153 38.826 39.000 -0.035 0.000 1.419 2158 F HN 0.910 nan 8.300 nan 0.000 0.514 2159 G N 2.836 111.415 108.800 -0.369 0.000 2.553 2159 G HA2 -0.281 3.679 3.960 0.001 0.000 0.242 2159 G HA3 -0.281 3.679 3.960 0.001 0.000 0.242 2159 G C -1.360 173.361 174.900 -0.298 0.000 1.277 2159 G CA -0.274 44.530 45.100 -0.493 0.000 0.910 2159 G HN 0.488 nan 8.290 nan 0.000 0.576 2160 Y N 1.677 121.930 120.300 -0.077 0.000 2.361 2160 Y HA 0.512 5.062 4.550 0.001 0.000 0.332 2160 Y C 1.399 177.300 175.900 0.002 0.000 1.101 2160 Y CA -0.572 57.514 58.100 -0.024 0.000 1.137 2160 Y CB 1.119 39.564 38.460 -0.025 0.000 1.207 2160 Y HN 0.652 nan 8.280 nan 0.000 0.463 2161 N N 1.826 120.653 118.700 0.211 0.000 2.721 2161 N HA -0.324 4.417 4.740 0.001 0.000 0.249 2161 N C -0.786 174.797 175.510 0.121 0.000 1.072 2161 N CA 1.038 54.171 53.050 0.138 0.000 0.710 2161 N CB -1.051 37.502 38.487 0.109 0.000 0.993 2161 N HN 0.887 nan 8.380 nan 0.000 0.547 2162 N N -0.325 118.453 118.700 0.130 0.000 2.504 2162 N HA 0.513 5.254 4.740 0.001 0.000 0.268 2162 N C -1.501 174.107 175.510 0.163 0.000 1.184 2162 N CA -0.525 52.610 53.050 0.141 0.000 0.875 2162 N CB 1.581 40.165 38.487 0.162 0.000 1.630 2162 N HN -0.020 nan 8.380 nan 0.000 0.486 2163 L N 2.050 123.351 121.223 0.130 0.000 2.354 2163 L HA 0.694 5.035 4.340 0.001 0.000 0.269 2163 L C -0.698 176.189 176.870 0.028 0.000 1.005 2163 L CA -1.002 53.892 54.840 0.090 0.000 0.819 2163 L CB 2.081 44.164 42.059 0.041 0.000 1.311 2163 L HN 0.275 nan 8.230 nan 0.000 0.423 2164 V N 2.755 122.637 119.914 -0.053 0.000 2.769 2164 V HA 0.538 4.658 4.120 0.001 0.000 0.312 2164 V C -0.732 175.242 176.094 -0.200 0.000 1.061 2164 V CA -0.513 61.663 62.300 -0.207 0.000 0.931 2164 V CB 2.570 34.086 31.823 -0.511 0.000 1.010 2164 V HN 0.406 nan 8.190 nan 0.000 0.433 2165 V N 5.114 124.891 119.914 -0.229 0.000 2.333 2165 V HA 0.361 4.481 4.120 0.001 0.000 0.274 2165 V C -0.246 175.610 176.094 -0.398 0.000 1.028 2165 V CA -0.442 61.636 62.300 -0.370 0.000 0.851 2165 V CB 1.312 32.796 31.823 -0.565 0.000 1.000 2165 V HN 0.904 nan 8.190 nan 0.000 0.456 2166 D N 4.124 124.329 120.400 -0.325 0.000 2.441 2166 D HA 0.244 4.884 4.640 0.001 0.000 0.221 2166 D C 0.677 176.852 176.300 -0.208 0.000 1.156 2166 D CA -0.409 53.476 54.000 -0.192 0.000 0.896 2166 D CB 0.536 41.252 40.800 -0.139 0.000 1.028 2166 D HN 0.403 nan 8.370 nan 0.000 0.509 2167 F N 1.889 121.795 119.950 -0.072 0.000 2.664 2167 F HA 0.005 4.532 4.527 0.001 0.000 0.297 2167 F C 2.216 177.981 175.800 -0.058 0.000 1.164 2167 F CA 0.389 58.343 58.000 -0.076 0.000 1.472 2167 F CB 0.022 38.961 39.000 -0.102 0.000 1.108 2167 F HN 0.272 nan 8.300 nan 0.000 0.596 2168 R N -0.266 120.284 120.500 0.084 0.000 2.189 2168 R HA -0.121 4.219 4.340 0.001 0.000 0.223 2168 R C 2.476 178.796 176.300 0.032 0.000 1.092 2168 R CA 1.251 57.390 56.100 0.066 0.000 0.989 2168 R CB -0.478 29.869 30.300 0.078 0.000 0.876 2168 R HN 0.352 nan 8.270 nan 0.000 0.457 2169 S N 0.640 116.327 115.700 -0.021 0.000 2.399 2169 S HA -0.111 4.360 4.470 0.001 0.000 0.231 2169 S C 1.854 176.427 174.600 -0.045 0.000 1.022 2169 S CA 0.757 58.924 58.200 -0.055 0.000 0.983 2169 S CB -0.156 62.973 63.200 -0.117 0.000 0.803 2169 S HN 0.056 nan 8.310 nan 0.000 0.480 2170 L N 2.780 123.990 121.223 -0.022 0.000 1.970 2170 L HA 0.039 4.380 4.340 0.001 0.000 0.212 2170 L C -0.302 176.525 176.870 -0.071 0.000 1.071 2170 L CA 1.910 56.734 54.840 -0.026 0.000 0.751 2170 L CB -1.706 40.363 42.059 0.017 0.000 0.889 2170 L HN 0.278 nan 8.230 nan 0.000 0.432 2171 P HA -0.145 nan 4.420 nan 0.000 0.218 2171 P C 2.049 179.261 177.300 -0.147 0.000 1.149 2171 P CA 1.564 64.610 63.100 -0.090 0.000 0.817 2171 P CB 0.113 31.786 31.700 -0.045 0.000 0.785 2172 I N -0.629 119.873 120.570 -0.114 0.000 2.163 2172 I HA -0.208 3.963 4.170 0.001 0.000 0.240 2172 I C 2.789 178.628 176.117 -0.464 0.000 1.081 2172 I CA 1.568 62.767 61.300 -0.169 0.000 1.353 2172 I CB -0.642 37.390 38.000 0.053 0.000 1.054 2172 I HN -0.163 nan 8.210 nan 0.000 0.407 2173 M N 0.160 119.582 119.600 -0.298 0.000 2.279 2173 M HA -0.189 4.291 4.480 0.001 0.000 0.264 2173 M C 2.156 178.111 176.300 -0.575 0.000 1.062 2173 M CA 1.291 56.372 55.300 -0.365 0.000 1.099 2173 M CB -0.370 32.204 32.600 -0.043 0.000 1.394 2173 M HN 0.008 nan 8.290 nan 0.000 0.426 2174 K N 1.056 121.223 120.400 -0.389 0.000 2.360 2174 K HA -0.149 4.172 4.320 0.001 0.000 0.201 2174 K C 1.643 178.025 176.600 -0.363 0.000 1.046 2174 K CA 1.412 57.527 56.287 -0.288 0.000 0.945 2174 K CB -0.149 32.239 32.500 -0.185 0.000 0.750 2174 K HN 0.444 nan 8.250 nan 0.000 0.464 2175 Q N -1.290 118.130 119.800 -0.634 0.000 2.224 2175 Q HA -0.128 4.212 4.340 0.001 0.000 0.203 2175 Q C 0.768 176.610 176.000 -0.264 0.000 0.970 2175 Q CA 1.646 57.146 55.803 -0.504 0.000 0.865 2175 Q CB -0.086 28.236 28.738 -0.693 0.000 0.922 2175 Q HN 0.647 nan 8.270 nan 0.000 0.445 2176 W N -2.067 119.239 121.300 0.011 0.000 2.534 2176 W HA 0.700 5.361 4.660 0.001 0.000 0.339 2176 W C 0.000 176.509 176.519 -0.017 0.000 0.961 2176 W CA -0.158 57.188 57.345 0.002 0.000 1.545 2176 W CB 0.385 29.852 29.460 0.011 0.000 1.104 2176 W HN -0.090 nan 8.180 nan 0.000 0.538 2177 A N 0.772 123.642 122.820 0.084 0.000 2.586 2177 A HA 0.607 4.928 4.320 0.001 0.000 0.290 2177 A C -1.079 176.493 177.584 -0.020 0.000 1.086 2177 A CA -1.248 50.823 52.037 0.056 0.000 0.665 2177 A CB 0.923 20.008 19.000 0.142 0.000 1.279 2177 A HN 0.019 nan 8.150 nan 0.000 0.423 2178 K N 0.490 120.860 120.400 -0.050 0.000 2.298 2178 K HA 0.490 4.811 4.320 0.001 0.000 0.280 2178 K C -0.854 175.798 176.600 0.088 0.000 1.032 2178 K CA -0.203 56.083 56.287 -0.001 0.000 0.958 2178 K CB 1.214 33.694 32.500 -0.034 0.000 0.978 2178 K HN 0.358 nan 8.250 nan 0.000 0.472 2179 V N 5.052 125.003 119.914 0.062 0.000 2.398 2179 V HA 0.317 4.437 4.120 0.001 0.000 0.286 2179 V C -0.062 176.069 176.094 0.062 0.000 1.026 2179 V CA -0.845 61.488 62.300 0.056 0.000 0.868 2179 V CB 1.207 33.034 31.823 0.006 0.000 0.982 2179 V HN 0.592 nan 8.190 nan 0.000 0.443 2180 I N 4.355 124.957 120.570 0.054 0.000 2.493 2180 I HA 0.385 4.556 4.170 0.001 0.000 0.298 2180 I C -0.758 175.400 176.117 0.068 0.000 0.998 2180 I CA -0.824 60.490 61.300 0.022 0.000 1.137 2180 I CB 1.746 39.725 38.000 -0.036 0.000 1.310 2180 I HN 0.671 nan 8.210 nan 0.000 0.445 2181 Y N 4.782 125.080 120.300 -0.003 0.000 2.331 2181 Y HA 0.313 4.864 4.550 0.001 0.000 0.338 2181 Y C -0.035 175.890 175.900 0.042 0.000 0.976 2181 Y CA -0.823 57.286 58.100 0.015 0.000 1.137 2181 Y CB 0.853 39.370 38.460 0.095 0.000 1.172 2181 Y HN 0.499 nan 8.280 nan 0.000 0.478 2182 D N 5.227 125.195 120.400 -0.720 0.000 2.393 2182 D HA 0.224 4.864 4.640 0.001 0.000 0.232 2182 D C 0.574 176.364 176.300 -0.850 0.000 1.192 2182 D CA 0.386 54.039 54.000 -0.579 0.000 0.882 2182 D CB 1.357 41.798 40.800 -0.599 0.000 1.038 2182 D HN 0.830 nan 8.370 nan 0.000 0.499 2183 A N 2.977 125.519 122.820 -0.464 0.000 2.014 2183 A HA -0.101 4.219 4.320 0.001 0.000 0.218 2183 A C 1.958 179.538 177.584 -0.007 0.000 1.163 2183 A CA 1.672 53.605 52.037 -0.173 0.000 0.652 2183 A CB -0.236 18.876 19.000 0.187 0.000 0.808 2183 A HN 0.622 nan 8.150 nan 0.000 0.449 2184 T N -3.707 110.857 114.554 0.018 0.000 2.983 2184 T HA -0.006 4.344 4.350 0.001 0.000 0.250 2184 T C 1.641 176.286 174.700 -0.092 0.000 1.037 2184 T CA 1.323 63.421 62.100 -0.004 0.000 1.142 2184 T CB -0.531 68.336 68.868 -0.002 0.000 0.876 2184 T HN 0.517 nan 8.240 nan 0.000 0.455 2185 H N 1.134 120.150 119.070 -0.090 0.000 2.548 2185 H HA 0.376 4.932 4.556 0.001 0.000 0.268 2185 H C 2.297 177.557 175.328 -0.113 0.000 0.975 2185 H CA 0.803 56.785 56.048 -0.111 0.000 1.195 2185 H CB -0.031 29.617 29.762 -0.189 0.000 1.397 2185 H HN 0.310 nan 8.280 nan 0.000 0.572 2186 S N -0.003 115.675 115.700 -0.036 0.000 2.481 2186 S HA -0.062 4.409 4.470 0.001 0.000 0.231 2186 S C 1.821 176.439 174.600 0.031 0.000 0.996 2186 S CA 0.986 59.164 58.200 -0.037 0.000 0.942 2186 S CB 0.049 63.206 63.200 -0.071 0.000 0.768 2186 S HN 0.461 nan 8.310 nan 0.000 0.520 2187 V N 0.058 120.009 119.914 0.062 0.000 3.528 2187 V HA 0.261 4.381 4.120 0.001 0.000 0.294 2187 V C 0.311 176.460 176.094 0.091 0.000 1.404 2187 V CA -0.584 61.780 62.300 0.108 0.000 1.065 2187 V CB -0.780 31.163 31.823 0.201 0.000 0.904 2187 V HN 0.475 nan 8.190 nan 0.000 0.435 2188 Q N 1.408 121.235 119.800 0.045 0.000 2.340 2188 Q HA 0.589 4.929 4.340 0.001 0.000 0.249 2188 Q C -0.712 175.324 176.000 0.060 0.000 0.957 2188 Q CA -0.555 55.269 55.803 0.035 0.000 0.882 2188 Q CB 1.505 30.236 28.738 -0.011 0.000 1.235 2188 Q HN 0.527 nan 8.270 nan 0.000 0.439 2189 L N 3.699 124.962 121.223 0.067 0.000 2.264 2189 L HA 0.410 4.750 4.340 0.001 0.000 0.287 2189 L C -1.964 174.953 176.870 0.079 0.000 1.039 2189 L CA -2.130 52.758 54.840 0.080 0.000 0.829 2189 L CB 0.523 42.631 42.059 0.082 0.000 1.211 2189 L HN 0.589 nan 8.230 nan 0.000 0.427 2200 M N 2.237 121.941 119.600 0.173 0.000 2.501 2200 M HA 0.118 4.599 4.480 0.001 0.000 0.363 2200 M C 1.813 178.146 176.300 0.055 0.000 1.708 2200 M CA 0.050 55.420 55.300 0.118 0.000 1.078 2200 M CB 0.399 33.124 32.600 0.208 0.000 2.107 2200 M HN 0.695 nan 8.290 nan 0.000 0.466 2201 R N 3.183 123.672 120.500 -0.018 0.000 2.193 2201 R HA -0.167 4.174 4.340 0.001 0.000 0.229 2201 R C 1.515 177.775 176.300 -0.067 0.000 1.110 2201 R CA 1.675 57.766 56.100 -0.016 0.000 0.988 2201 R CB -0.027 30.259 30.300 -0.024 0.000 0.871 2201 R HN 0.867 nan 8.270 nan 0.000 0.458 2202 E N -0.600 119.454 120.200 -0.243 0.000 2.333 2202 E HA -0.178 4.172 4.350 0.001 0.000 0.198 2202 E C 0.525 176.888 176.600 -0.395 0.000 1.007 2202 E CA 0.837 57.009 56.400 -0.380 0.000 0.845 2202 E CB -0.115 29.222 29.700 -0.605 0.000 0.766 2202 E HN 0.393 nan 8.360 nan 0.000 0.507 2203 F N 0.501 120.505 119.950 0.090 0.000 2.695 2203 F HA 0.334 4.862 4.527 0.001 0.000 0.303 2203 F C 1.748 177.639 175.800 0.152 0.000 1.091 2203 F CA -0.557 57.506 58.000 0.106 0.000 1.300 2203 F CB -0.027 39.029 39.000 0.093 0.000 1.071 2203 F HN -0.062 nan 8.300 nan 0.000 0.578 2204 I N -0.363 120.367 120.570 0.268 0.000 2.099 2204 I HA -0.362 3.809 4.170 0.001 0.000 0.239 2204 I C 2.531 178.858 176.117 0.351 0.000 1.066 2204 I CA 1.897 63.357 61.300 0.266 0.000 1.324 2204 I CB -0.507 37.592 38.000 0.164 0.000 1.037 2204 I HN 0.143 nan 8.210 nan 0.000 0.401 2205 F N 1.935 121.954 119.950 0.116 0.000 2.113 2205 F HA -0.141 4.386 4.527 0.001 0.000 0.297 2205 F C -0.404 175.455 175.800 0.099 0.000 1.103 2205 F CA 1.050 59.107 58.000 0.096 0.000 1.248 2205 F CB -0.966 38.066 39.000 0.053 0.000 0.999 2205 F HN 0.024 nan 8.300 nan 0.000 0.475 2206 P HA -0.195 nan 4.420 nan 0.000 0.215 2206 P C 1.705 179.031 177.300 0.044 0.000 1.153 2206 P CA 1.556 64.657 63.100 0.002 0.000 0.853 2206 P CB -0.072 31.685 31.700 0.095 0.000 0.788 2207 L N -1.560 119.775 121.223 0.186 0.000 2.240 2207 L HA -0.056 4.284 4.340 0.001 0.000 0.211 2207 L C 2.399 179.344 176.870 0.124 0.000 1.106 2207 L CA 0.851 55.815 54.840 0.205 0.000 0.793 2207 L CB -0.576 41.726 42.059 0.404 0.000 0.927 2207 L HN -0.039 nan 8.230 nan 0.000 0.446 2208 I N -0.145 120.591 120.570 0.277 0.000 2.315 2208 I HA -0.259 3.911 4.170 0.001 0.000 0.248 2208 I C 2.800 178.985 176.117 0.112 0.000 1.117 2208 I CA 1.092 62.567 61.300 0.291 0.000 1.404 2208 I CB -0.036 38.224 38.000 0.434 0.000 1.071 2208 I HN 0.194 nan 8.210 nan 0.000 0.419 2209 R N 0.667 121.205 120.500 0.063 0.000 2.081 2209 R HA -0.161 4.180 4.340 0.001 0.000 0.235 2209 R C 2.343 178.556 176.300 -0.146 0.000 1.131 2209 R CA 1.504 57.572 56.100 -0.053 0.000 0.960 2209 R CB -0.561 29.628 30.300 -0.186 0.000 0.856 2209 R HN 0.455 nan 8.270 nan 0.000 0.436 2210 A N 1.379 124.041 122.820 -0.263 0.000 1.902 2210 A HA -0.101 4.219 4.320 0.001 0.000 0.217 2210 A C 2.417 179.695 177.584 -0.510 0.000 1.181 2210 A CA 1.613 53.345 52.037 -0.510 0.000 0.623 2210 A CB -0.619 17.833 19.000 -0.913 0.000 0.818 2210 A HN 0.389 nan 8.150 nan 0.000 0.443 2211 A N 0.009 122.600 122.820 -0.381 0.000 1.892 2211 A HA -0.107 4.213 4.320 0.001 0.000 0.218 2211 A C 2.353 179.901 177.584 -0.060 0.000 1.188 2211 A CA 2.688 54.614 52.037 -0.185 0.000 0.631 2211 A CB -1.320 17.470 19.000 -0.351 0.000 0.822 2211 A HN 1.216 nan 8.150 nan 0.000 0.447 2212 V N -2.961 116.946 119.914 -0.011 0.000 2.591 2212 V HA 0.139 4.260 4.120 0.001 0.000 0.249 2212 V C 2.458 178.610 176.094 0.097 0.000 1.053 2212 V CA 1.554 63.888 62.300 0.057 0.000 1.068 2212 V CB -1.212 30.629 31.823 0.029 0.000 0.689 2212 V HN 0.518 nan 8.190 nan 0.000 0.462 2213 A N 0.453 123.278 122.820 0.008 0.000 1.930 2213 A HA -0.017 4.304 4.320 0.001 0.000 0.217 2213 A C 2.339 179.985 177.584 0.102 0.000 1.175 2213 A CA 2.013 54.078 52.037 0.047 0.000 0.627 2213 A CB -0.696 18.260 19.000 -0.074 0.000 0.815 2213 A HN 0.433 nan 8.150 nan 0.000 0.443 2214 V N -0.897 118.992 119.914 -0.041 0.000 2.283 2214 V HA 0.273 4.394 4.120 0.001 0.000 0.243 2214 V C 1.334 177.332 176.094 -0.160 0.000 1.039 2214 V CA 1.485 63.750 62.300 -0.058 0.000 1.016 2214 V CB -1.101 30.669 31.823 -0.089 0.000 0.650 2214 V HN 1.228 nan 8.190 nan 0.000 0.449 2215 G N -0.400 108.216 108.800 -0.307 0.000 3.160 2215 G HA2 0.159 4.119 3.960 0.001 0.000 0.573 2215 G HA3 0.159 4.119 3.960 0.001 0.000 0.573 2215 G C -0.820 173.866 174.900 -0.356 0.000 1.286 2215 G CA -0.625 43.986 45.100 -0.816 0.000 1.151 2215 G HN 1.023 nan 8.290 nan 0.000 0.555 2216 C N 0.343 119.542 119.300 -0.169 0.000 3.291 2216 C HA 0.853 5.313 4.460 0.001 0.000 0.316 2216 C C 0.501 175.572 174.990 0.134 0.000 1.391 2216 C CA -0.624 58.403 59.018 0.015 0.000 1.394 2216 C CB 1.926 29.732 27.740 0.111 0.000 1.744 2216 C HN 0.633 nan 8.230 nan 0.000 0.461 2217 D N 0.407 120.842 120.400 0.059 0.000 2.339 2217 D HA 0.392 5.033 4.640 0.001 0.000 0.217 2217 D C 0.789 176.890 176.300 -0.331 0.000 1.050 2217 D CA 1.327 55.339 54.000 0.021 0.000 0.856 2217 D CB 0.893 41.724 40.800 0.051 0.000 0.922 2217 D HN 1.113 nan 8.370 nan 0.000 0.518 2218 G N -0.393 108.108 108.800 -0.499 0.000 2.338 2218 G HA2 0.370 4.330 3.960 0.001 0.000 0.295 2218 G HA3 0.370 4.330 3.960 0.001 0.000 0.295 2218 G C -1.776 172.875 174.900 -0.415 0.000 1.461 2218 G CA -0.587 43.901 45.100 -1.019 0.000 0.817 2218 G HN -0.051 nan 8.290 nan 0.000 0.556 2219 V N 0.182 119.896 119.914 -0.333 0.000 2.823 2219 V HA 0.756 4.877 4.120 0.001 0.000 0.312 2219 V C -1.208 174.887 176.094 0.002 0.000 1.072 2219 V CA -0.747 61.570 62.300 0.028 0.000 0.937 2219 V CB 1.988 33.942 31.823 0.219 0.000 1.013 2219 V HN 0.809 nan 8.190 nan 0.000 0.430 2220 F N 4.720 124.599 119.950 -0.118 0.000 2.449 2220 F HA 0.812 5.340 4.527 0.001 0.000 0.342 2220 F C -0.409 175.330 175.800 -0.102 0.000 1.127 2220 F CA -0.704 57.211 58.000 -0.143 0.000 0.975 2220 F CB 1.406 40.299 39.000 -0.178 0.000 1.146 2220 F HN 0.374 nan 8.300 nan 0.000 0.444 2221 M N 5.663 125.157 119.600 -0.176 0.000 2.271 2221 M HA 0.294 4.774 4.480 0.001 0.000 0.285 2221 M C -1.164 175.026 176.300 -0.184 0.000 1.059 2221 M CA -0.550 54.713 55.300 -0.062 0.000 0.940 2221 M CB 2.593 35.165 32.600 -0.046 0.000 1.636 2221 M HN 0.502 nan 8.290 nan 0.000 0.460 2222 E N 1.728 121.904 120.200 -0.040 0.000 2.227 2222 E HA 0.407 4.757 4.350 0.001 0.000 0.282 2222 E C -0.642 175.931 176.600 -0.046 0.000 1.015 2222 E CA -0.244 56.121 56.400 -0.058 0.000 0.823 2222 E CB 2.127 31.858 29.700 0.052 0.000 1.081 2222 E HN 0.458 nan 8.360 nan 0.000 0.396 2223 T N 2.223 116.742 114.554 -0.059 0.000 2.900 2223 T HA 0.269 4.620 4.350 0.001 0.000 0.295 2223 T C -1.605 173.124 174.700 0.050 0.000 1.044 2223 T CA -0.622 61.469 62.100 -0.016 0.000 0.995 2223 T CB 1.247 70.085 68.868 -0.051 0.000 1.072 2223 T HN 0.465 nan 8.240 nan 0.000 0.473 2224 H N 3.472 122.518 119.070 -0.039 0.000 2.954 2224 H HA 0.345 4.902 4.556 0.001 0.000 0.361 2224 H C -2.531 172.787 175.328 -0.017 0.000 1.122 2224 H CA -1.617 54.418 56.048 -0.022 0.000 1.217 2224 H CB 2.633 32.384 29.762 -0.018 0.000 1.776 2224 H HN 0.324 nan 8.280 nan 0.000 0.533 2225 P HA -0.114 nan 4.420 nan 0.000 0.217 2225 P C -0.597 176.806 177.300 0.170 0.000 1.151 2225 P CA 1.552 64.654 63.100 0.004 0.000 0.849 2225 P CB 0.384 32.016 31.700 -0.113 0.000 0.787 2226 E N -2.664 117.825 120.200 0.482 0.000 3.117 2226 E HA 0.143 4.494 4.350 0.001 0.000 0.262 2226 E C -2.187 174.433 176.600 0.033 0.000 1.202 2226 E CA -1.521 55.017 56.400 0.232 0.000 0.853 2226 E CB 0.954 30.747 29.700 0.155 0.000 1.426 2226 E HN 0.074 nan 8.360 nan 0.000 0.387 2227 P HA -0.327 nan 4.420 nan 0.000 0.219 2227 P C 1.262 178.429 177.300 -0.222 0.000 1.153 2227 P CA 1.619 64.606 63.100 -0.188 0.000 0.865 2227 P CB 0.185 31.850 31.700 -0.058 0.000 0.788 2228 E N 0.138 120.261 120.200 -0.129 0.000 2.150 2228 E HA -0.171 4.179 4.350 0.001 0.000 0.193 2228 E C 1.454 177.980 176.600 -0.124 0.000 0.985 2228 E CA 1.050 57.389 56.400 -0.101 0.000 0.814 2228 E CB -0.643 29.025 29.700 -0.054 0.000 0.752 2228 E HN 0.246 nan 8.360 nan 0.000 0.466 2229 K N 0.785 121.095 120.400 -0.150 0.000 2.426 2229 K HA 0.224 4.544 4.320 0.001 0.000 0.193 2229 K C 0.581 177.052 176.600 -0.214 0.000 1.028 2229 K CA 0.206 56.418 56.287 -0.126 0.000 1.047 2229 K CB 0.407 32.886 32.500 -0.035 0.000 0.821 2229 K HN 0.139 nan 8.250 nan 0.000 0.513 2230 A N 1.202 123.766 122.820 -0.428 0.000 2.531 2230 A HA 0.028 4.348 4.320 0.001 0.000 0.236 2230 A C 0.890 178.351 177.584 -0.206 0.000 1.062 2230 A CA 0.067 51.839 52.037 -0.443 0.000 0.760 2230 A CB 0.075 18.758 19.000 -0.528 0.000 0.995 2230 A HN 0.285 nan 8.150 nan 0.000 0.501 2231 L N 1.314 122.426 121.223 -0.185 0.000 2.591 2231 L HA 0.152 4.493 4.340 0.001 0.000 0.228 2231 L C 0.966 177.845 176.870 0.014 0.000 1.133 2231 L CA 0.580 55.307 54.840 -0.188 0.000 0.880 2231 L CB -0.324 41.357 42.059 -0.630 0.000 1.033 2231 L HN 0.664 nan 8.230 nan 0.000 0.450 2232 S N -1.129 114.588 115.700 0.028 0.000 2.550 2232 S HA 0.272 4.743 4.470 0.001 0.000 0.270 2232 S C -1.020 173.590 174.600 0.017 0.000 1.145 2232 S CA -0.705 57.548 58.200 0.088 0.000 0.852 2232 S CB 1.183 64.495 63.200 0.188 0.000 1.119 2232 S HN 0.242 nan 8.310 nan 0.000 0.465 2233 D N 1.387 121.792 120.400 0.009 0.000 2.706 2233 D HA -0.178 4.463 4.640 0.001 0.000 0.230 2233 D C 1.022 177.282 176.300 -0.067 0.000 1.184 2233 D CA 1.078 55.051 54.000 -0.045 0.000 0.628 2233 D CB -1.126 39.622 40.800 -0.086 0.000 1.019 2233 D HN 0.687 nan 8.370 nan 0.000 0.415 2234 A N -0.626 122.155 122.820 -0.065 0.000 2.066 2234 A HA -0.053 4.268 4.320 0.001 0.000 0.218 2234 A C 2.184 179.726 177.584 -0.069 0.000 1.157 2234 A CA 1.212 53.194 52.037 -0.093 0.000 0.670 2234 A CB 0.219 19.165 19.000 -0.091 0.000 0.804 2234 A HN 0.271 nan 8.150 nan 0.000 0.453 2235 S N -0.858 114.813 115.700 -0.049 0.000 2.593 2235 S HA 0.018 4.488 4.470 0.001 0.000 0.217 2235 S C 1.465 176.043 174.600 -0.035 0.000 0.966 2235 S CA 1.124 59.303 58.200 -0.034 0.000 0.914 2235 S CB 0.045 63.235 63.200 -0.015 0.000 0.776 2235 S HN 0.876 nan 8.310 nan 0.000 0.523 2236 T N -2.143 112.377 114.554 -0.057 0.000 2.993 2236 T HA 0.235 4.585 4.350 0.001 0.000 0.260 2236 T C 0.285 174.949 174.700 -0.059 0.000 0.939 2236 T CA -0.333 61.731 62.100 -0.060 0.000 0.886 2236 T CB -0.071 68.734 68.868 -0.106 0.000 1.209 2236 T HN 0.084 nan 8.240 nan 0.000 0.518 2237 Q N 1.550 121.313 119.800 -0.062 0.000 2.274 2237 Q HA 0.330 4.670 4.340 0.001 0.000 0.280 2237 Q C -0.671 175.320 176.000 -0.015 0.000 1.047 2237 Q CA -0.372 55.411 55.803 -0.034 0.000 0.907 2237 Q CB 0.849 29.574 28.738 -0.022 0.000 1.171 2237 Q HN 0.346 nan 8.270 nan 0.000 0.381 2238 L N 6.512 127.730 121.223 -0.009 0.000 2.410 2238 L HA 0.204 4.544 4.340 0.001 0.000 0.273 2238 L C -2.318 174.552 176.870 0.000 0.000 1.152 2238 L CA -1.298 53.534 54.840 -0.012 0.000 0.855 2238 L CB 0.550 42.594 42.059 -0.026 0.000 1.129 2238 L HN 0.408 nan 8.230 nan 0.000 0.463 2239 P HA 0.008 nan 4.420 nan 0.000 0.267 2239 P C 0.908 178.206 177.300 -0.004 0.000 1.205 2239 P CA 0.058 63.165 63.100 0.011 0.000 0.765 2239 P CB 0.620 32.321 31.700 0.000 0.000 0.828 2240 L N 2.874 124.099 121.223 0.004 0.000 2.051 2240 L HA -0.287 4.054 4.340 0.001 0.000 0.214 2240 L C 2.123 178.981 176.870 -0.021 0.000 1.076 2240 L CA 2.505 57.335 54.840 -0.017 0.000 0.758 2240 L CB -0.626 41.418 42.059 -0.025 0.000 0.890 2240 L HN 0.455 nan 8.230 nan 0.000 0.433 2241 S N -1.483 114.209 115.700 -0.015 0.000 2.442 2241 S HA -0.251 4.220 4.470 0.001 0.000 0.236 2241 S C 1.654 176.241 174.600 -0.022 0.000 1.007 2241 S CA 1.016 59.208 58.200 -0.014 0.000 0.965 2241 S CB -0.281 62.914 63.200 -0.008 0.000 0.773 2241 S HN 0.565 nan 8.310 nan 0.000 0.504 2242 Q N -0.159 119.619 119.800 -0.037 0.000 2.424 2242 Q HA 0.275 4.616 4.340 0.001 0.000 0.204 2242 Q C 1.802 177.745 176.000 -0.095 0.000 0.933 2242 Q CA 0.083 55.844 55.803 -0.069 0.000 0.929 2242 Q CB -0.160 28.526 28.738 -0.086 0.000 1.037 2242 Q HN 0.445 nan 8.270 nan 0.000 0.511 2243 L N 1.532 122.717 121.223 -0.063 0.000 1.989 2243 L HA -0.246 4.094 4.340 0.001 0.000 0.211 2243 L C 2.212 179.052 176.870 -0.051 0.000 1.071 2243 L CA 2.025 56.830 54.840 -0.059 0.000 0.749 2243 L CB -0.470 41.573 42.059 -0.026 0.000 0.890 2243 L HN 0.222 nan 8.230 nan 0.000 0.431 2244 E N -1.006 119.195 120.200 0.002 0.000 2.070 2244 E HA -0.242 4.109 4.350 0.001 0.000 0.197 2244 E C 2.060 178.678 176.600 0.030 0.000 1.004 2244 E CA 1.341 57.783 56.400 0.070 0.000 0.805 2244 E CB -0.551 29.236 29.700 0.145 0.000 0.744 2244 E HN 0.638 nan 8.360 nan 0.000 0.451 2245 G N 1.307 110.102 108.800 -0.008 0.000 2.476 2245 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 2245 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 2245 G C 1.617 176.450 174.900 -0.112 0.000 1.164 2245 G CA 1.092 46.174 45.100 -0.029 0.000 0.768 2245 G HN 0.285 nan 8.290 nan 0.000 0.560 2246 I N 0.386 120.803 120.570 -0.256 0.000 2.252 2246 I HA -0.103 4.068 4.170 0.001 0.000 0.245 2246 I C 2.664 178.694 176.117 -0.145 0.000 1.102 2246 I CA 0.660 61.735 61.300 -0.375 0.000 1.385 2246 I CB -0.200 37.530 38.000 -0.451 0.000 1.064 2246 I HN 0.167 nan 8.210 nan 0.000 0.414 2247 I N 0.634 121.105 120.570 -0.166 0.000 2.179 2247 I HA -0.291 3.880 4.170 0.001 0.000 0.242 2247 I C 2.654 178.617 176.117 -0.256 0.000 1.088 2247 I CA 1.380 62.529 61.300 -0.252 0.000 1.357 2247 I CB -0.343 37.384 38.000 -0.456 0.000 1.051 2247 I HN 0.212 nan 8.210 nan 0.000 0.409 2248 E N 1.574 121.678 120.200 -0.160 0.000 2.085 2248 E HA -0.229 4.122 4.350 0.001 0.000 0.194 2248 E C 2.067 178.704 176.600 0.061 0.000 0.994 2248 E CA 1.876 58.314 56.400 0.064 0.000 0.801 2248 E CB -0.239 29.597 29.700 0.227 0.000 0.743 2248 E HN 0.422 nan 8.360 nan 0.000 0.453 2249 A N 1.185 124.055 122.820 0.083 0.000 1.877 2249 A HA -0.144 4.177 4.320 0.001 0.000 0.216 2249 A C 2.400 180.044 177.584 0.100 0.000 1.186 2249 A CA 1.861 53.993 52.037 0.158 0.000 0.620 2249 A CB -1.039 18.200 19.000 0.398 0.000 0.822 2249 A HN 0.537 nan 8.150 nan 0.000 0.443 2250 I N -2.802 117.808 120.570 0.065 0.000 2.546 2250 I HA -0.119 4.051 4.170 0.001 0.000 0.255 2250 I C 2.061 178.086 176.117 -0.152 0.000 1.163 2250 I CA 1.096 62.386 61.300 -0.016 0.000 1.457 2250 I CB -0.443 37.559 38.000 0.004 0.000 1.092 2250 I HN 0.200 nan 8.210 nan 0.000 0.434 2251 L N 1.083 122.220 121.223 -0.143 0.000 2.056 2251 L HA -0.118 4.222 4.340 0.001 0.000 0.207 2251 L C 2.684 179.506 176.870 -0.079 0.000 1.078 2251 L CA 1.513 56.261 54.840 -0.154 0.000 0.749 2251 L CB -0.565 41.464 42.059 -0.051 0.000 0.901 2251 L HN 0.263 nan 8.230 nan 0.000 0.433 2252 E N 0.380 120.567 120.200 -0.021 0.000 2.051 2252 E HA -0.213 4.137 4.350 0.001 0.000 0.192 2252 E C 2.263 178.846 176.600 -0.028 0.000 0.991 2252 E CA 1.263 57.659 56.400 -0.006 0.000 0.799 2252 E CB -0.063 29.652 29.700 0.025 0.000 0.748 2252 E HN 0.449 nan 8.360 nan 0.000 0.449 2253 I N 0.668 121.220 120.570 -0.029 0.000 2.252 2253 I HA -0.262 3.909 4.170 0.001 0.000 0.245 2253 I C 2.719 178.808 176.117 -0.047 0.000 1.102 2253 I CA 0.982 62.263 61.300 -0.032 0.000 1.385 2253 I CB -0.255 37.731 38.000 -0.024 0.000 1.064 2253 I HN 0.045 nan 8.210 nan 0.000 0.414 2254 R N 1.112 121.564 120.500 -0.081 0.000 2.073 2254 R HA -0.229 4.112 4.340 0.001 0.000 0.234 2254 R C 2.366 178.588 176.300 -0.132 0.000 1.134 2254 R CA 1.656 57.704 56.100 -0.086 0.000 0.952 2254 R CB -0.285 29.881 30.300 -0.222 0.000 0.850 2254 R HN 0.248 nan 8.270 nan 0.000 0.433 2255 E N 0.348 120.481 120.200 -0.110 0.000 2.070 2255 E HA -0.168 4.182 4.350 0.001 0.000 0.197 2255 E C 1.880 178.408 176.600 -0.120 0.000 1.004 2255 E CA 1.859 58.198 56.400 -0.101 0.000 0.805 2255 E CB -0.037 29.628 29.700 -0.058 0.000 0.744 2255 E HN 0.297 nan 8.360 nan 0.000 0.451 2256 V N 0.967 120.829 119.914 -0.087 0.000 2.323 2256 V HA -0.156 3.965 4.120 0.001 0.000 0.244 2256 V C 2.551 178.605 176.094 -0.067 0.000 1.041 2256 V CA 1.694 63.958 62.300 -0.061 0.000 1.025 2256 V CB -0.807 31.007 31.823 -0.014 0.000 0.656 2256 V HN 0.340 nan 8.190 nan 0.000 0.451 2257 A N 0.806 123.577 122.820 -0.082 0.000 2.014 2257 A HA -0.149 4.171 4.320 0.001 0.000 0.218 2257 A C 2.486 179.780 177.584 -0.484 0.000 1.163 2257 A CA 1.715 53.711 52.037 -0.067 0.000 0.652 2257 A CB -0.674 18.344 19.000 0.029 0.000 0.808 2257 A HN 0.674 nan 8.150 nan 0.000 0.449 2258 S N 0.446 115.636 115.700 -0.849 0.000 2.420 2258 S HA -0.261 4.210 4.470 0.001 0.000 0.237 2258 S C 1.825 175.958 174.600 -0.778 0.000 1.023 2258 S CA 1.643 58.985 58.200 -1.430 0.000 0.991 2258 S CB -0.452 62.336 63.200 -0.687 0.000 0.792 2258 S HN 0.674 nan 8.310 nan 0.000 0.488 2259 K N 0.408 120.470 120.400 -0.564 0.000 2.211 2259 K HA -0.122 4.198 4.320 0.001 0.000 0.204 2259 K C 0.774 176.971 176.600 -0.671 0.000 1.047 2259 K CA 1.340 57.261 56.287 -0.610 0.000 0.935 2259 K CB -0.222 31.810 32.500 -0.780 0.000 0.728 2259 K HN 0.646 nan 8.250 nan 0.000 0.452 2260 Y N -0.899 119.292 120.300 -0.183 0.000 2.467 2260 Y HA 0.153 4.704 4.550 0.001 0.000 0.250 2260 Y C -0.323 175.622 175.900 0.075 0.000 1.155 2260 Y CA -1.022 57.047 58.100 -0.051 0.000 1.249 2260 Y CB 0.235 38.675 38.460 -0.034 0.000 1.146 2260 Y HN -0.140 nan 8.280 nan 0.000 0.524 2261 Y N 2.272 122.613 120.300 0.068 0.000 2.632 2261 Y HA 0.076 4.626 4.550 0.001 0.000 0.329 2261 Y C 0.697 176.615 175.900 0.030 0.000 1.174 2261 Y CA -1.003 57.124 58.100 0.045 0.000 1.469 2261 Y CB -0.147 38.328 38.460 0.025 0.000 1.242 2261 Y HN 0.132 nan 8.280 nan 0.000 0.540 2262 E N 0.808 121.116 120.200 0.181 0.000 2.398 2262 E HA 0.123 4.473 4.350 0.001 0.000 0.263 2262 E C -0.075 176.566 176.600 0.068 0.000 1.046 2262 E CA 0.003 56.461 56.400 0.096 0.000 0.908 2262 E CB 0.300 30.036 29.700 0.059 0.000 0.963 2262 E HN 0.432 nan 8.360 nan 0.000 0.431 2263 T N 3.596 118.177 114.554 0.046 0.000 2.870 2263 T HA 0.222 4.573 4.350 0.001 0.000 0.300 2263 T C 0.854 175.558 174.700 0.006 0.000 0.989 2263 T CA -0.223 61.895 62.100 0.029 0.000 1.139 2263 T CB -0.110 68.772 68.868 0.022 0.000 0.920 2263 T HN 0.545 nan 8.240 nan 0.000 0.537 2264 I N 0.000 120.567 120.570 -0.006 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 37.986 38.000 -0.023 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494