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 1lro_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 ATGSVQLPGX XXXXXXGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE T 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 0.000 176.692 176.600 0.154 0.000 0.988 2003 K CA 0.000 56.366 56.287 0.132 0.000 0.838 2003 K CB 0.000 32.574 32.500 0.124 0.000 1.064 2004 F N 1.648 121.614 119.950 0.026 0.000 2.607 2004 F HA 0.173 4.701 4.527 0.001 0.000 0.374 2004 F C -0.268 175.500 175.800 -0.053 0.000 1.104 2004 F CA -0.225 57.776 58.000 0.001 0.000 1.296 2004 F CB 0.505 39.498 39.000 -0.011 0.000 1.085 2004 F HN 0.431 nan 8.300 nan 0.000 0.584 2005 L N 6.512 127.347 121.223 -0.646 0.000 2.309 2005 L HA 0.547 4.888 4.340 0.001 0.000 0.282 2005 L C -1.169 175.304 176.870 -0.662 0.000 1.036 2005 L CA -0.497 54.038 54.840 -0.508 0.000 0.806 2005 L CB 1.642 43.494 42.059 -0.346 0.000 1.220 2005 L HN 0.380 nan 8.230 nan 0.000 0.429 2006 V N 6.580 126.181 119.914 -0.522 0.000 2.380 2006 V HA 0.421 4.542 4.120 0.001 0.000 0.286 2006 V C -0.164 175.726 176.094 -0.340 0.000 1.015 2006 V CA -0.412 61.600 62.300 -0.480 0.000 0.834 2006 V CB 1.386 32.778 31.823 -0.719 0.000 1.009 2006 V HN 0.533 nan 8.190 nan 0.000 0.428 2007 I N 4.667 125.069 120.570 -0.279 0.000 2.312 2007 I HA 0.795 4.966 4.170 0.001 0.000 0.290 2007 I C 0.341 176.194 176.117 -0.440 0.000 1.008 2007 I CA -0.078 61.048 61.300 -0.290 0.000 1.226 2007 I CB 1.418 39.290 38.000 -0.214 0.000 1.371 2007 I HN 0.678 nan 8.210 nan 0.000 0.468 2008 A N 4.651 127.251 122.820 -0.367 0.000 2.572 2008 A HA 1.005 5.326 4.320 0.001 0.000 0.295 2008 A C -0.437 176.849 177.584 -0.496 0.000 1.072 2008 A CA -0.325 51.468 52.037 -0.407 0.000 0.691 2008 A CB 2.024 20.906 19.000 -0.196 0.000 1.291 2008 A HN 0.892 nan 8.150 nan 0.000 0.404 2009 G N 0.016 108.508 108.800 -0.513 0.000 2.321 2009 G HA2 0.534 4.495 3.960 0.001 0.000 0.298 2009 G HA3 0.534 4.495 3.960 0.001 0.000 0.298 2009 G C -3.577 171.091 174.900 -0.387 0.000 1.385 2009 G CA -0.323 44.380 45.100 -0.662 0.000 0.856 2009 G HN 0.692 nan 8.290 nan 0.000 0.584 2010 P HA 0.209 nan 4.420 nan 0.000 0.275 2010 P C 1.347 178.619 177.300 -0.045 0.000 1.227 2010 P CA -0.029 63.030 63.100 -0.068 0.000 0.781 2010 P CB 1.625 33.327 31.700 0.002 0.000 0.906 2011 C N 3.180 122.494 119.300 0.023 0.000 2.393 2011 C HA -0.027 4.434 4.460 0.001 0.000 0.276 2011 C C 1.267 176.305 174.990 0.080 0.000 1.215 2011 C CA 1.751 60.791 59.018 0.038 0.000 1.743 2011 C CB -1.384 26.393 27.740 0.061 0.000 2.044 2011 C HN 0.702 nan 8.230 nan 0.000 0.464 2012 A N -0.665 122.248 122.820 0.155 0.000 2.380 2012 A HA 0.711 5.032 4.320 0.001 0.000 0.315 2012 A C -0.428 177.327 177.584 0.285 0.000 1.101 2012 A CA -0.599 51.586 52.037 0.246 0.000 0.771 2012 A CB 0.517 19.765 19.000 0.413 0.000 1.287 2012 A HN 0.431 nan 8.150 nan 0.000 0.436 2013 I N 2.304 123.081 120.570 0.345 0.000 2.270 2013 I HA 0.039 4.210 4.170 0.001 0.000 0.300 2013 I C 0.790 177.195 176.117 0.479 0.000 1.186 2013 I CA 0.240 61.759 61.300 0.364 0.000 1.431 2013 I CB -0.056 38.172 38.000 0.380 0.000 1.485 2013 I HN 0.838 nan 8.210 nan 0.000 0.650 2014 E N 3.202 123.607 120.200 0.342 0.000 2.338 2014 E HA -0.063 4.288 4.350 0.001 0.000 0.197 2014 E C 0.339 177.088 176.600 0.247 0.000 1.007 2014 E CA 0.380 56.939 56.400 0.265 0.000 0.849 2014 E CB 0.085 29.812 29.700 0.045 0.000 0.774 2014 E HN 0.717 nan 8.360 nan 0.000 0.506 2015 S N -0.730 115.101 115.700 0.218 0.000 2.714 2015 S HA -0.005 4.466 4.470 0.001 0.000 0.284 2015 S C 0.163 174.853 174.600 0.150 0.000 1.019 2015 S CA -0.749 57.556 58.200 0.175 0.000 0.856 2015 S CB 0.735 63.988 63.200 0.088 0.000 1.075 2015 S HN 0.219 nan 8.310 nan 0.000 0.455 2016 E N 0.558 120.810 120.200 0.087 0.000 2.418 2016 E HA -0.080 4.270 4.350 0.001 0.000 0.197 2016 E C 1.300 177.910 176.600 0.016 0.000 1.026 2016 E CA 0.931 57.322 56.400 -0.014 0.000 0.862 2016 E CB -0.110 29.501 29.700 -0.149 0.000 0.799 2016 E HN 0.758 nan 8.360 nan 0.000 0.518 2017 E N 0.776 120.999 120.200 0.039 0.000 2.072 2017 E HA -0.185 4.166 4.350 0.001 0.000 0.191 2017 E C 2.055 178.673 176.600 0.029 0.000 0.985 2017 E CA 0.840 57.258 56.400 0.030 0.000 0.801 2017 E CB -0.001 29.718 29.700 0.033 0.000 0.750 2017 E HN 0.353 nan 8.360 nan 0.000 0.452 2018 L N 0.966 122.210 121.223 0.036 0.000 2.056 2018 L HA -0.122 4.219 4.340 0.001 0.000 0.207 2018 L C 2.112 179.010 176.870 0.047 0.000 1.078 2018 L CA 1.496 56.340 54.840 0.007 0.000 0.749 2018 L CB -0.380 41.677 42.059 -0.003 0.000 0.901 2018 L HN 0.212 nan 8.230 nan 0.000 0.433 2019 L N -1.092 120.194 121.223 0.106 0.000 2.127 2019 L HA -0.237 4.104 4.340 0.001 0.000 0.211 2019 L C 2.516 179.410 176.870 0.040 0.000 1.089 2019 L CA 1.240 56.188 54.840 0.180 0.000 0.757 2019 L CB -0.637 41.514 42.059 0.153 0.000 0.899 2019 L HN 0.348 nan 8.230 nan 0.000 0.434 2020 L N -0.263 120.986 121.223 0.044 0.000 2.109 2020 L HA -0.179 4.161 4.340 0.001 0.000 0.207 2020 L C 2.686 179.608 176.870 0.087 0.000 1.086 2020 L CA 1.097 56.007 54.840 0.117 0.000 0.760 2020 L CB -0.405 41.708 42.059 0.090 0.000 0.910 2020 L HN 0.247 nan 8.230 nan 0.000 0.437 2021 K N 0.137 120.555 120.400 0.030 0.000 2.062 2021 K HA -0.115 4.206 4.320 0.001 0.000 0.205 2021 K C 1.960 178.530 176.600 -0.050 0.000 1.051 2021 K CA 1.098 57.380 56.287 -0.009 0.000 0.941 2021 K CB 0.168 32.656 32.500 -0.020 0.000 0.719 2021 K HN 0.067 nan 8.250 nan 0.000 0.440 2022 V N 0.547 120.455 119.914 -0.009 0.000 2.379 2022 V HA -0.099 4.022 4.120 0.001 0.000 0.245 2022 V C 2.380 178.473 176.094 -0.002 0.000 1.044 2022 V CA 1.955 64.274 62.300 0.032 0.000 1.036 2022 V CB -0.611 31.298 31.823 0.144 0.000 0.664 2022 V HN 0.578 nan 8.190 nan 0.000 0.453 2023 G N -0.400 108.332 108.800 -0.113 0.000 2.432 2023 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 2023 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 2023 G C 1.504 175.746 174.900 -1.097 0.000 1.135 2023 G CA 0.999 45.776 45.100 -0.538 0.000 0.767 2023 G HN 0.594 nan 8.290 nan 0.000 0.550 2024 E N 0.194 119.818 120.200 -0.960 0.000 2.077 2024 E HA -0.178 4.173 4.350 0.001 0.000 0.193 2024 E C 2.260 178.578 176.600 -0.470 0.000 0.989 2024 E CA 1.409 57.301 56.400 -0.846 0.000 0.800 2024 E CB -0.114 29.442 29.700 -0.241 0.000 0.746 2024 E HN 0.422 nan 8.360 nan 0.000 0.452 2025 E N 0.504 120.527 120.200 -0.294 0.000 2.072 2025 E HA -0.138 4.213 4.350 0.001 0.000 0.190 2025 E C 1.913 178.389 176.600 -0.208 0.000 0.982 2025 E CA 1.042 57.331 56.400 -0.184 0.000 0.803 2025 E CB -0.161 29.477 29.700 -0.102 0.000 0.755 2025 E HN 0.305 nan 8.360 nan 0.000 0.453 2026 I N 1.007 121.450 120.570 -0.212 0.000 2.286 2026 I HA -0.189 3.981 4.170 0.001 0.000 0.248 2026 I C 2.175 178.069 176.117 -0.373 0.000 1.115 2026 I CA 1.150 62.330 61.300 -0.200 0.000 1.392 2026 I CB -1.134 36.873 38.000 0.013 0.000 1.065 2026 I HN 0.156 nan 8.210 nan 0.000 0.418 2027 K N 1.557 121.716 120.400 -0.402 0.000 2.057 2027 K HA -0.174 4.147 4.320 0.001 0.000 0.206 2027 K C 2.297 178.731 176.600 -0.277 0.000 1.050 2027 K CA 1.402 57.488 56.287 -0.334 0.000 0.935 2027 K CB -0.367 31.904 32.500 -0.382 0.000 0.715 2027 K HN 0.109 nan 8.250 nan 0.000 0.439 2028 R N -0.227 120.121 120.500 -0.253 0.000 2.091 2028 R HA -0.090 4.251 4.340 0.001 0.000 0.238 2028 R C 1.831 178.006 176.300 -0.209 0.000 1.136 2028 R CA 1.430 57.420 56.100 -0.184 0.000 0.959 2028 R CB -0.231 29.985 30.300 -0.139 0.000 0.856 2028 R HN 0.157 nan 8.270 nan 0.000 0.437 2029 L N 0.442 121.509 121.223 -0.260 0.000 2.093 2029 L HA -0.097 4.243 4.340 0.001 0.000 0.208 2029 L C 2.485 179.098 176.870 -0.427 0.000 1.085 2029 L CA 1.632 56.356 54.840 -0.194 0.000 0.755 2029 L CB -1.517 40.460 42.059 -0.136 0.000 0.904 2029 L HN 0.249 nan 8.230 nan 0.000 0.435 2030 S N -0.644 114.559 115.700 -0.828 0.000 2.383 2030 S HA -0.175 4.295 4.470 0.001 0.000 0.229 2030 S C 1.809 176.325 174.600 -0.140 0.000 1.030 2030 S CA 1.168 59.002 58.200 -0.609 0.000 1.002 2030 S CB 0.058 63.019 63.200 -0.398 0.000 0.829 2030 S HN 0.409 nan 8.310 nan 0.000 0.467 2031 E N 0.772 120.879 120.200 -0.155 0.000 2.158 2031 E HA -0.014 4.336 4.350 0.001 0.000 0.191 2031 E C 1.986 178.518 176.600 -0.114 0.000 0.982 2031 E CA 0.663 57.009 56.400 -0.090 0.000 0.823 2031 E CB -0.218 29.428 29.700 -0.090 0.000 0.766 2031 E HN 0.596 nan 8.360 nan 0.000 0.468 2032 K N -0.193 120.084 120.400 -0.206 0.000 2.116 2032 K HA -0.010 4.310 4.320 0.001 0.000 0.203 2032 K C 0.130 176.433 176.600 -0.494 0.000 1.052 2032 K CA 0.550 56.590 56.287 -0.412 0.000 0.952 2032 K CB 0.150 32.270 32.500 -0.634 0.000 0.729 2032 K HN -0.072 nan 8.250 nan 0.000 0.446 2033 F N 1.708 121.722 119.950 0.107 0.000 2.334 2033 F HA 0.292 4.820 4.527 0.001 0.000 0.343 2033 F C 0.653 176.590 175.800 0.228 0.000 1.136 2033 F CA -0.833 57.288 58.000 0.202 0.000 1.237 2033 F CB 1.205 40.412 39.000 0.346 0.000 1.525 2033 F HN -0.223 nan 8.300 nan 0.000 0.528 2034 K N 0.678 121.215 120.400 0.229 0.000 2.280 2034 K HA -0.166 4.155 4.320 0.001 0.000 0.202 2034 K C 1.681 178.403 176.600 0.202 0.000 1.047 2034 K CA 0.896 57.295 56.287 0.186 0.000 0.942 2034 K CB 0.102 32.663 32.500 0.102 0.000 0.739 2034 K HN 0.497 nan 8.250 nan 0.000 0.457 2035 E N 0.364 120.697 120.200 0.222 0.000 2.150 2035 E HA -0.053 4.298 4.350 0.001 0.000 0.193 2035 E C 0.052 176.770 176.600 0.197 0.000 0.985 2035 E CA 0.325 56.836 56.400 0.184 0.000 0.814 2035 E CB 0.347 30.150 29.700 0.171 0.000 0.752 2035 E HN -0.102 nan 8.360 nan 0.000 0.466 2036 V N 1.281 121.346 119.914 0.252 0.000 2.567 2036 V HA 0.153 4.273 4.120 0.001 0.000 0.289 2036 V C 0.073 176.256 176.094 0.149 0.000 1.049 2036 V CA -0.519 61.871 62.300 0.150 0.000 0.969 2036 V CB 1.568 33.382 31.823 -0.015 0.000 0.995 2036 V HN 0.076 nan 8.190 nan 0.000 0.471 2037 E N 3.061 123.268 120.200 0.013 0.000 2.081 2037 E HA 0.375 4.726 4.350 0.001 0.000 0.281 2037 E C -1.527 175.037 176.600 -0.060 0.000 0.986 2037 E CA -0.499 55.939 56.400 0.064 0.000 0.796 2037 E CB 0.647 30.369 29.700 0.038 0.000 1.085 2037 E HN 0.496 nan 8.360 nan 0.000 0.398 2038 F N 3.122 123.094 119.950 0.037 0.000 2.394 2038 F HA 0.312 4.840 4.527 0.001 0.000 0.340 2038 F C -0.007 175.800 175.800 0.012 0.000 1.105 2038 F CA -0.600 57.410 58.000 0.016 0.000 1.124 2038 F CB 1.524 40.549 39.000 0.041 0.000 1.145 2038 F HN 0.135 nan 8.300 nan 0.000 0.505 2039 V N 4.663 124.647 119.914 0.117 0.000 2.483 2039 V HA 0.239 4.360 4.120 0.001 0.000 0.297 2039 V C -0.674 175.469 176.094 0.082 0.000 1.027 2039 V CA -1.034 61.314 62.300 0.080 0.000 0.855 2039 V CB 1.509 33.315 31.823 -0.030 0.000 0.995 2039 V HN 0.545 nan 8.190 nan 0.000 0.424 2040 F N 5.865 125.821 119.950 0.009 0.000 2.456 2040 F HA 0.546 5.074 4.527 0.001 0.000 0.358 2040 F C 0.231 176.011 175.800 -0.034 0.000 1.095 2040 F CA 0.295 58.286 58.000 -0.015 0.000 1.216 2040 F CB 0.522 39.527 39.000 0.009 0.000 1.125 2040 F HN 0.400 nan 8.300 nan 0.000 0.549 2041 K N 4.505 124.480 120.400 -0.709 0.000 2.375 2041 K HA 0.640 4.960 4.320 0.001 0.000 0.249 2041 K C -1.681 174.610 176.600 -0.515 0.000 0.942 2041 K CA -0.491 55.533 56.287 -0.438 0.000 0.806 2041 K CB 1.926 34.201 32.500 -0.375 0.000 1.227 2041 K HN 0.710 nan 8.250 nan 0.000 0.430 2042 S N 0.865 116.466 115.700 -0.165 0.000 2.580 2042 S HA 0.360 4.831 4.470 0.001 0.000 0.281 2042 S C -1.774 172.862 174.600 0.061 0.000 1.129 2042 S CA -0.536 57.635 58.200 -0.047 0.000 0.862 2042 S CB 1.080 64.310 63.200 0.051 0.000 1.090 2042 S HN 0.509 nan 8.310 nan 0.000 0.451 2043 S N 2.691 118.427 115.700 0.061 0.000 2.508 2043 S HA 0.435 4.906 4.470 0.001 0.000 0.284 2043 S C 0.636 175.285 174.600 0.081 0.000 1.192 2043 S CA -0.601 57.597 58.200 -0.003 0.000 1.070 2043 S CB 0.517 63.687 63.200 -0.049 0.000 1.004 2043 S HN 0.676 nan 8.310 nan 0.000 0.493 2044 F N 0.320 120.367 119.950 0.162 0.000 2.743 2044 F HA 0.478 5.006 4.527 0.001 0.000 0.297 2044 F C 0.350 176.219 175.800 0.115 0.000 1.131 2044 F CA -0.414 57.689 58.000 0.172 0.000 1.426 2044 F CB -0.018 39.074 39.000 0.155 0.000 1.116 2044 F HN 0.455 nan 8.300 nan 0.000 0.583 2045 D N 0.281 120.504 120.400 -0.295 0.000 2.937 2045 D HA 0.222 4.863 4.640 0.001 0.000 0.215 2045 D C -1.488 174.588 176.300 -0.373 0.000 1.274 2045 D CA -0.583 53.252 54.000 -0.275 0.000 0.869 2045 D CB 1.242 41.912 40.800 -0.217 0.000 1.675 2045 D HN -0.166 nan 8.370 nan 0.000 0.538 2046 K N 2.982 123.211 120.400 -0.285 0.000 2.231 2046 K HA 0.529 4.849 4.320 0.001 0.000 0.255 2046 K C 0.332 176.775 176.600 -0.262 0.000 1.108 2046 K CA -0.379 55.782 56.287 -0.210 0.000 0.997 2046 K CB 0.968 33.407 32.500 -0.102 0.000 1.549 2046 K HN 0.447 nan 8.250 nan 0.000 0.419 2047 A N 2.590 125.160 122.820 -0.416 0.000 2.238 2047 A HA -0.069 4.252 4.320 0.001 0.000 0.208 2047 A C 0.932 178.446 177.584 -0.117 0.000 1.177 2047 A CA 0.487 52.320 52.037 -0.341 0.000 0.804 2047 A CB -0.623 18.009 19.000 -0.613 0.000 0.823 2047 A HN 0.805 nan 8.150 nan 0.000 0.482 2048 N N -1.364 117.308 118.700 -0.047 0.000 2.365 2048 N HA 0.126 4.866 4.740 0.001 0.000 0.257 2048 N C -0.372 175.184 175.510 0.077 0.000 1.287 2048 N CA -0.743 52.351 53.050 0.074 0.000 0.882 2048 N CB 0.498 39.103 38.487 0.198 0.000 1.250 2048 N HN -0.063 nan 8.380 nan 0.000 0.507 2049 R N 0.649 121.159 120.500 0.016 0.000 2.679 2049 R HA 0.099 4.440 4.340 0.001 0.000 0.268 2049 R C 0.909 177.232 176.300 0.037 0.000 1.044 2049 R CA 0.049 56.165 56.100 0.027 0.000 1.105 2049 R CB 0.633 30.935 30.300 0.003 0.000 0.989 2049 R HN 0.206 nan 8.270 nan 0.000 0.447 2050 S N 0.584 116.313 115.700 0.049 0.000 2.368 2050 S HA -0.105 4.365 4.470 0.001 0.000 0.225 2050 S C 1.059 175.664 174.600 0.008 0.000 1.030 2050 S CA 1.090 59.313 58.200 0.038 0.000 0.999 2050 S CB 0.029 63.256 63.200 0.046 0.000 0.844 2050 S HN 0.643 nan 8.310 nan 0.000 0.459 2051 S N 0.112 115.817 115.700 0.008 0.000 2.508 2051 S HA 0.372 4.843 4.470 0.001 0.000 0.284 2051 S C 0.711 175.273 174.600 -0.063 0.000 1.192 2051 S CA -0.702 57.489 58.200 -0.016 0.000 1.070 2051 S CB 0.925 64.144 63.200 0.032 0.000 1.004 2051 S HN 0.175 nan 8.310 nan 0.000 0.493 2052 I N 4.243 124.712 120.570 -0.169 0.000 2.614 2052 I HA -0.004 4.167 4.170 0.001 0.000 0.258 2052 I C 1.231 177.202 176.117 -0.243 0.000 1.189 2052 I CA 1.729 62.885 61.300 -0.240 0.000 1.462 2052 I CB -0.323 37.466 38.000 -0.352 0.000 1.092 2052 I HN 0.843 nan 8.210 nan 0.000 0.442 2053 H N -1.212 117.861 119.070 0.006 0.000 2.526 2053 H HA 0.316 4.873 4.556 0.002 0.000 0.274 2053 H C 0.978 176.322 175.328 0.027 0.000 0.999 2053 H CA -0.199 55.856 56.048 0.012 0.000 1.157 2053 H CB 0.136 29.906 29.762 0.013 0.000 1.407 2053 H HN 0.165 nan 8.280 nan 0.000 0.568 2054 S N 0.386 116.147 115.700 0.101 0.000 2.669 2054 S HA 0.110 4.581 4.470 0.001 0.000 0.270 2054 S C -0.298 174.368 174.600 0.110 0.000 1.225 2054 S CA -0.796 57.469 58.200 0.108 0.000 0.991 2054 S CB 0.741 63.989 63.200 0.080 0.000 0.987 2054 S HN 0.258 nan 8.310 nan 0.000 0.552 2055 F N 1.797 121.750 119.950 0.005 0.000 2.543 2055 F HA 0.226 4.754 4.527 0.001 0.000 0.375 2055 F C 1.253 177.042 175.800 -0.018 0.000 1.075 2055 F CA 0.175 58.168 58.000 -0.011 0.000 1.225 2055 F CB 0.383 39.382 39.000 -0.002 0.000 1.099 2055 F HN 0.539 nan 8.300 nan 0.000 0.561 2056 R N 3.252 123.244 120.500 -0.847 0.000 2.164 2056 R HA 0.465 4.806 4.340 0.001 0.000 0.198 2056 R C 0.580 176.285 176.300 -0.990 0.000 1.028 2056 R CA 0.225 55.917 56.100 -0.681 0.000 1.083 2056 R CB 0.244 30.319 30.300 -0.375 0.000 1.026 2056 R HN 0.903 nan 8.270 nan 0.000 0.514 2057 G N -0.680 107.268 108.800 -1.420 0.000 2.362 2057 G HA2 -0.082 3.879 3.960 0.001 0.000 0.288 2057 G HA3 -0.082 3.879 3.960 0.001 0.000 0.288 2057 G C -1.134 173.538 174.900 -0.379 0.000 1.305 2057 G CA -0.833 43.800 45.100 -0.778 0.000 0.910 2057 G HN 0.279 nan 8.290 nan 0.000 0.518 2058 H N 0.232 119.334 119.070 0.052 0.000 2.542 2058 H HA 0.518 5.075 4.556 0.001 0.000 0.283 2058 H C 1.167 176.548 175.328 0.089 0.000 1.059 2058 H CA 1.128 57.173 56.048 -0.005 0.000 1.162 2058 H CB 0.591 30.174 29.762 -0.297 0.000 1.539 2058 H HN 1.782 nan 8.280 nan 0.000 0.543 2059 G N -0.029 108.913 108.800 0.236 0.000 2.619 2059 G HA2 -0.214 3.747 3.960 0.001 0.000 0.686 2059 G HA3 -0.214 3.747 3.960 0.001 0.000 0.686 2059 G C 0.215 175.276 174.900 0.268 0.000 1.256 2059 G CA -0.285 44.959 45.100 0.241 0.000 0.826 2059 G HN 0.207 nan 8.290 nan 0.000 0.619 2060 L N 0.407 121.702 121.223 0.120 0.000 2.017 2060 L HA 0.112 4.452 4.340 0.001 0.000 0.208 2060 L C 2.543 179.324 176.870 -0.148 0.000 1.073 2060 L CA 3.103 57.769 54.840 -0.290 0.000 0.745 2060 L CB -0.818 41.027 42.059 -0.357 0.000 0.894 2060 L HN 0.826 nan 8.230 nan 0.000 0.432 2061 E N -1.551 118.655 120.200 0.010 0.000 2.058 2061 E HA -0.309 4.042 4.350 0.001 0.000 0.194 2061 E C 2.141 178.790 176.600 0.081 0.000 0.997 2061 E CA 1.828 58.251 56.400 0.037 0.000 0.801 2061 E CB -0.426 29.319 29.700 0.075 0.000 0.746 2061 E HN 0.627 nan 8.360 nan 0.000 0.450 2062 Y N 0.791 121.121 120.300 0.049 0.000 2.224 2062 Y HA -0.153 4.398 4.550 0.001 0.000 0.289 2062 Y C 2.167 178.114 175.900 0.079 0.000 1.146 2062 Y CA 1.751 59.893 58.100 0.070 0.000 1.182 2062 Y CB -0.457 38.075 38.460 0.120 0.000 0.983 2062 Y HN -0.001 nan 8.280 nan 0.000 0.524 2063 G N -0.764 108.154 108.800 0.198 0.000 2.394 2063 G HA2 -0.198 3.763 3.960 0.001 0.000 0.215 2063 G HA3 -0.198 3.763 3.960 0.001 0.000 0.215 2063 G C 1.665 176.592 174.900 0.045 0.000 1.165 2063 G CA 1.155 46.362 45.100 0.179 0.000 0.784 2063 G HN 0.336 nan 8.290 nan 0.000 0.535 2064 V N 1.017 120.913 119.914 -0.029 0.000 2.343 2064 V HA -0.166 3.955 4.120 0.001 0.000 0.247 2064 V C 2.671 178.732 176.094 -0.055 0.000 1.051 2064 V CA 2.232 64.505 62.300 -0.044 0.000 1.036 2064 V CB -0.386 31.386 31.823 -0.086 0.000 0.654 2064 V HN 0.445 nan 8.190 nan 0.000 0.451 2065 K N 0.482 120.825 120.400 -0.094 0.000 2.032 2065 K HA -0.208 4.112 4.320 0.001 0.000 0.209 2065 K C 2.223 178.726 176.600 -0.163 0.000 1.048 2065 K CA 1.748 57.959 56.287 -0.127 0.000 0.927 2065 K CB -0.367 32.037 32.500 -0.159 0.000 0.712 2065 K HN 0.404 nan 8.250 nan 0.000 0.441 2066 A N 1.530 124.206 122.820 -0.239 0.000 1.883 2066 A HA -0.140 4.181 4.320 0.001 0.000 0.217 2066 A C 2.195 179.726 177.584 -0.088 0.000 1.186 2066 A CA 1.475 53.388 52.037 -0.207 0.000 0.624 2066 A CB -0.694 18.161 19.000 -0.243 0.000 0.822 2066 A HN 0.355 nan 8.150 nan 0.000 0.444 2067 L N -1.346 119.867 121.223 -0.016 0.000 2.083 2067 L HA -0.164 4.177 4.340 0.001 0.000 0.209 2067 L C 2.798 179.657 176.870 -0.019 0.000 1.083 2067 L CA 1.572 56.433 54.840 0.035 0.000 0.752 2067 L CB -0.438 41.689 42.059 0.113 0.000 0.899 2067 L HN 0.424 nan 8.230 nan 0.000 0.433 2068 R N 0.434 120.912 120.500 -0.038 0.000 2.096 2068 R HA -0.220 4.120 4.340 0.001 0.000 0.235 2068 R C 2.330 178.583 176.300 -0.078 0.000 1.127 2068 R CA 1.466 57.538 56.100 -0.047 0.000 0.968 2068 R CB 0.016 30.285 30.300 -0.051 0.000 0.861 2068 R HN 0.040 nan 8.270 nan 0.000 0.440 2069 K N 0.051 120.389 120.400 -0.104 0.000 2.057 2069 K HA -0.069 4.252 4.320 0.001 0.000 0.206 2069 K C 1.736 178.234 176.600 -0.169 0.000 1.050 2069 K CA 1.451 57.656 56.287 -0.137 0.000 0.935 2069 K CB -0.310 32.106 32.500 -0.141 0.000 0.715 2069 K HN 0.023 nan 8.250 nan 0.000 0.439 2070 V N 1.396 121.220 119.914 -0.151 0.000 2.295 2070 V HA -0.237 3.884 4.120 0.001 0.000 0.246 2070 V C 2.468 178.516 176.094 -0.078 0.000 1.049 2070 V CA 2.213 64.427 62.300 -0.144 0.000 1.024 2070 V CB -0.544 31.041 31.823 -0.397 0.000 0.648 2070 V HN 0.464 nan 8.190 nan 0.000 0.447 2071 K N 0.059 120.418 120.400 -0.068 0.000 2.097 2071 K HA -0.217 4.103 4.320 0.001 0.000 0.206 2071 K C 2.029 178.599 176.600 -0.049 0.000 1.049 2071 K CA 1.867 58.141 56.287 -0.022 0.000 0.933 2071 K CB -0.082 32.416 32.500 -0.003 0.000 0.717 2071 K HN 0.601 nan 8.250 nan 0.000 0.442 2072 E N 0.155 120.297 120.200 -0.097 0.000 2.076 2072 E HA -0.160 4.191 4.350 0.001 0.000 0.190 2072 E C 1.874 178.359 176.600 -0.192 0.000 0.979 2072 E CA 0.894 57.224 56.400 -0.117 0.000 0.807 2072 E CB 0.093 29.726 29.700 -0.113 0.000 0.761 2072 E HN 0.402 nan 8.360 nan 0.000 0.454 2073 E N -0.506 119.495 120.200 -0.332 0.000 2.285 2073 E HA -0.098 4.253 4.350 0.001 0.000 0.194 2073 E C 0.625 176.759 176.600 -0.778 0.000 0.997 2073 E CA 0.706 56.738 56.400 -0.613 0.000 0.845 2073 E CB 0.269 29.440 29.700 -0.881 0.000 0.782 2073 E HN 0.153 nan 8.360 nan 0.000 0.491 2074 F N -1.508 118.382 119.950 -0.101 0.000 2.817 2074 F HA 0.352 4.880 4.527 0.001 0.000 0.333 2074 F C 1.191 176.953 175.800 -0.064 0.000 1.085 2074 F CA 0.253 58.198 58.000 -0.092 0.000 1.170 2074 F CB 1.129 40.053 39.000 -0.127 0.000 1.066 2074 F HN 0.030 nan 8.300 nan 0.000 0.564 2075 G N 1.925 110.767 108.800 0.071 0.000 2.225 2075 G HA2 -0.306 3.654 3.960 0.001 0.000 0.267 2075 G HA3 -0.306 3.654 3.960 0.001 0.000 0.267 2075 G C 0.005 174.953 174.900 0.079 0.000 1.024 2075 G CA 0.107 45.239 45.100 0.054 0.000 0.784 2075 G HN 0.303 nan 8.290 nan 0.000 0.507 2076 L N -0.477 120.805 121.223 0.097 0.000 2.357 2076 L HA 0.444 4.784 4.340 0.001 0.000 0.273 2076 L C 1.150 178.083 176.870 0.105 0.000 1.080 2076 L CA -0.884 54.021 54.840 0.108 0.000 0.803 2076 L CB 1.037 43.164 42.059 0.114 0.000 1.174 2076 L HN 0.044 nan 8.230 nan 0.000 0.443 2077 K N 2.215 122.686 120.400 0.118 0.000 2.230 2077 K HA 0.409 4.730 4.320 0.001 0.000 0.253 2077 K C -0.671 176.008 176.600 0.132 0.000 1.008 2077 K CA -0.371 55.977 56.287 0.102 0.000 0.910 2077 K CB 0.803 33.354 32.500 0.086 0.000 0.994 2077 K HN 0.290 nan 8.250 nan 0.000 0.495 2078 I N 0.649 121.286 120.570 0.112 0.000 2.689 2078 I HA 0.280 4.451 4.170 0.001 0.000 0.299 2078 I C -0.053 176.123 176.117 0.098 0.000 1.059 2078 I CA -0.411 60.975 61.300 0.144 0.000 1.055 2078 I CB 1.874 39.956 38.000 0.137 0.000 1.243 2078 I HN 0.571 nan 8.210 nan 0.000 0.425 2079 T N 2.869 117.481 114.554 0.097 0.000 2.993 2079 T HA 0.632 4.982 4.350 0.001 0.000 0.312 2079 T C -1.036 173.707 174.700 0.071 0.000 1.115 2079 T CA -0.207 61.928 62.100 0.058 0.000 1.027 2079 T CB 1.583 70.461 68.868 0.017 0.000 1.116 2079 T HN 0.851 nan 8.240 nan 0.000 0.464 2080 T N 2.376 116.974 114.554 0.075 0.000 2.821 2080 T HA 0.577 4.927 4.350 0.001 0.000 0.306 2080 T C -1.993 172.716 174.700 0.014 0.000 1.313 2080 T CA -0.707 61.441 62.100 0.080 0.000 1.012 2080 T CB 1.490 70.482 68.868 0.206 0.000 1.298 2080 T HN 0.792 nan 8.240 nan 0.000 0.502 2081 D N 2.393 122.735 120.400 -0.096 0.000 2.217 2081 D HA 0.539 5.179 4.640 0.001 0.000 0.248 2081 D C 0.287 176.319 176.300 -0.446 0.000 1.008 2081 D CA -0.677 53.178 54.000 -0.242 0.000 0.914 2081 D CB 0.999 41.635 40.800 -0.274 0.000 1.182 2081 D HN 0.777 nan 8.370 nan 0.000 0.451 2082 I N -2.452 117.844 120.570 -0.458 0.000 2.750 2082 I HA 0.503 4.674 4.170 0.001 0.000 0.308 2082 I C -0.377 175.279 176.117 -0.767 0.000 1.016 2082 I CA -0.945 60.078 61.300 -0.461 0.000 1.098 2082 I CB 1.863 39.754 38.000 -0.183 0.000 1.279 2082 I HN 0.314 nan 8.210 nan 0.000 0.454 2083 H N 0.316 119.335 119.070 -0.085 0.000 3.255 2083 H HA 0.448 5.005 4.556 0.001 0.000 0.256 2083 H C -0.577 174.733 175.328 -0.030 0.000 1.049 2083 H CA -0.213 55.803 56.048 -0.053 0.000 1.202 2083 H CB 0.764 30.500 29.762 -0.042 0.000 1.497 2083 H HN 0.592 nan 8.280 nan 0.000 0.503 2084 E N -0.310 119.873 120.200 -0.028 0.000 2.356 2084 E HA 0.266 4.617 4.350 0.001 0.000 0.275 2084 E C 0.060 176.575 176.600 -0.142 0.000 0.904 2084 E CA -0.292 56.105 56.400 -0.005 0.000 0.757 2084 E CB 2.460 32.266 29.700 0.177 0.000 1.232 2084 E HN -0.025 nan 8.360 nan 0.000 0.442 2085 S N 1.603 117.313 115.700 0.017 0.000 2.389 2085 S HA -0.197 4.274 4.470 0.001 0.000 0.231 2085 S C 1.575 176.196 174.600 0.035 0.000 1.052 2085 S CA 1.963 60.184 58.200 0.034 0.000 1.053 2085 S CB -0.294 62.969 63.200 0.104 0.000 0.886 2085 S HN 0.742 nan 8.310 nan 0.000 0.456 2086 W N 1.871 123.204 121.300 0.056 0.000 2.421 2086 W HA -0.083 4.577 4.660 0.001 0.000 0.270 2086 W C 1.214 177.762 176.519 0.048 0.000 1.233 2086 W CA 0.811 58.184 57.345 0.046 0.000 1.226 2086 W CB -0.871 28.615 29.460 0.043 0.000 1.121 2086 W HN 0.417 nan 8.180 nan 0.000 0.579 2087 Q N 0.880 120.233 119.800 -0.745 0.000 2.378 2087 Q HA 0.027 4.368 4.340 0.001 0.000 0.205 2087 Q C 2.669 178.518 176.000 -0.251 0.000 0.954 2087 Q CA 1.180 56.562 55.803 -0.701 0.000 0.901 2087 Q CB -0.288 27.968 28.738 -0.803 0.000 0.981 2087 Q HN 0.311 nan 8.270 nan 0.000 0.483 2088 A N 1.851 124.584 122.820 -0.145 0.000 1.883 2088 A HA -0.293 4.028 4.320 0.001 0.000 0.217 2088 A C 1.992 179.560 177.584 -0.026 0.000 1.186 2088 A CA 1.771 53.771 52.037 -0.061 0.000 0.624 2088 A CB -0.522 18.462 19.000 -0.028 0.000 0.822 2088 A HN 0.444 nan 8.150 nan 0.000 0.444 2089 E N -0.345 119.855 120.200 0.001 0.000 2.023 2089 E HA -0.160 4.190 4.350 0.001 0.000 0.196 2089 E C -0.492 176.114 176.600 0.010 0.000 1.003 2089 E CA 1.495 57.907 56.400 0.021 0.000 0.809 2089 E CB -0.625 29.107 29.700 0.052 0.000 0.755 2089 E HN 0.497 nan 8.360 nan 0.000 0.449 2090 P HA -0.109 nan 4.420 nan 0.000 0.218 2090 P C 1.612 178.883 177.300 -0.048 0.000 1.149 2090 P CA 0.986 64.080 63.100 -0.010 0.000 0.817 2090 P CB 0.029 31.733 31.700 0.006 0.000 0.785 2091 V N 0.857 120.729 119.914 -0.070 0.000 2.548 2091 V HA -0.129 3.992 4.120 0.001 0.000 0.249 2091 V C 2.766 178.858 176.094 -0.003 0.000 1.055 2091 V CA 1.800 64.072 62.300 -0.047 0.000 1.065 2091 V CB -1.597 30.220 31.823 -0.010 0.000 0.681 2091 V HN 0.089 nan 8.190 nan 0.000 0.462 2092 A N -0.306 122.513 122.820 -0.001 0.000 2.178 2092 A HA -0.170 4.150 4.320 0.001 0.000 0.218 2092 A C 2.080 179.672 177.584 0.012 0.000 1.157 2092 A CA 1.261 53.304 52.037 0.011 0.000 0.689 2092 A CB -0.313 18.693 19.000 0.011 0.000 0.787 2092 A HN 0.553 nan 8.150 nan 0.000 0.465 2093 E N -0.371 119.832 120.200 0.005 0.000 2.150 2093 E HA -0.094 4.257 4.350 0.001 0.000 0.193 2093 E C 1.741 178.346 176.600 0.008 0.000 0.985 2093 E CA 1.554 57.957 56.400 0.005 0.000 0.814 2093 E CB -0.208 29.491 29.700 -0.002 0.000 0.752 2093 E HN 0.494 nan 8.360 nan 0.000 0.466 2094 V N 0.057 119.979 119.914 0.013 0.000 3.359 2094 V HA 0.235 4.356 4.120 0.001 0.000 0.245 2094 V C 0.890 177.009 176.094 0.042 0.000 1.247 2094 V CA 0.423 62.737 62.300 0.023 0.000 1.145 2094 V CB 0.272 32.108 31.823 0.021 0.000 0.906 2094 V HN 0.068 nan 8.190 nan 0.000 0.464 2095 A N 0.828 123.676 122.820 0.047 0.000 2.396 2095 A HA 0.191 4.512 4.320 0.001 0.000 0.279 2095 A C 0.944 178.557 177.584 0.048 0.000 1.165 2095 A CA -0.036 52.035 52.037 0.058 0.000 0.824 2095 A CB -0.129 18.909 19.000 0.063 0.000 1.100 2095 A HN 0.404 nan 8.150 nan 0.000 0.516 2096 D N 1.759 122.190 120.400 0.052 0.000 2.194 2096 D HA 0.026 4.667 4.640 0.001 0.000 0.204 2096 D C 0.192 176.521 176.300 0.049 0.000 0.964 2096 D CA 1.435 55.465 54.000 0.050 0.000 0.846 2096 D CB 0.249 41.081 40.800 0.053 0.000 0.962 2096 D HN 0.586 nan 8.370 nan 0.000 0.490 2097 I N 1.434 122.027 120.570 0.038 0.000 2.466 2097 I HA 0.269 4.440 4.170 0.001 0.000 0.289 2097 I C -0.411 175.721 176.117 0.026 0.000 1.026 2097 I CA -0.604 60.714 61.300 0.029 0.000 1.078 2097 I CB 2.733 40.716 38.000 -0.028 0.000 1.249 2097 I HN -0.301 nan 8.210 nan 0.000 0.429 2098 I N 5.686 126.272 120.570 0.027 0.000 2.315 2098 I HA 0.230 4.401 4.170 0.001 0.000 0.291 2098 I C 0.093 176.204 176.117 -0.011 0.000 1.006 2098 I CA -0.286 61.020 61.300 0.010 0.000 1.265 2098 I CB 1.360 39.364 38.000 0.006 0.000 1.387 2098 I HN 0.598 nan 8.210 nan 0.000 0.475 2099 Q N 6.525 126.303 119.800 -0.036 0.000 2.241 2099 Q HA 0.423 4.763 4.340 0.001 0.000 0.254 2099 Q C -1.151 174.780 176.000 -0.115 0.000 0.917 2099 Q CA -0.707 55.054 55.803 -0.070 0.000 0.919 2099 Q CB 1.437 30.137 28.738 -0.063 0.000 1.237 2099 Q HN 0.479 nan 8.270 nan 0.000 0.434 2100 I N 6.317 126.821 120.570 -0.110 0.000 2.339 2100 I HA 0.352 4.523 4.170 0.001 0.000 0.290 2100 I C -2.191 173.845 176.117 -0.135 0.000 0.994 2100 I CA -2.633 58.599 61.300 -0.113 0.000 1.191 2100 I CB 0.965 38.927 38.000 -0.064 0.000 1.343 2100 I HN 0.538 nan 8.210 nan 0.000 0.458 2101 P HA 0.068 nan 4.420 nan 0.000 0.268 2101 P C 0.621 177.847 177.300 -0.123 0.000 1.208 2101 P CA 0.084 63.097 63.100 -0.144 0.000 0.777 2101 P CB 0.893 32.545 31.700 -0.080 0.000 0.875 2102 A N 2.460 125.147 122.820 -0.221 0.000 1.883 2102 A HA -0.223 4.098 4.320 0.001 0.000 0.217 2102 A C 1.687 179.297 177.584 0.042 0.000 1.186 2102 A CA 1.789 53.705 52.037 -0.202 0.000 0.624 2102 A CB -1.659 17.140 19.000 -0.335 0.000 0.822 2102 A HN 0.507 nan 8.150 nan 0.000 0.444 2103 F N -0.247 119.755 119.950 0.086 0.000 2.333 2103 F HA 0.005 4.532 4.527 0.001 0.000 0.300 2103 F C 1.603 177.534 175.800 0.219 0.000 1.083 2103 F CA 0.425 58.568 58.000 0.238 0.000 1.395 2103 F CB -0.607 38.481 39.000 0.148 0.000 1.056 2103 F HN 0.106 nan 8.300 nan 0.000 0.529 2104 L N -0.457 120.937 121.223 0.286 0.000 2.700 2104 L HA 0.092 4.432 4.340 0.001 0.000 0.234 2104 L C 1.936 178.885 176.870 0.133 0.000 1.156 2104 L CA -0.063 54.886 54.840 0.182 0.000 0.946 2104 L CB -0.736 41.389 42.059 0.111 0.000 1.216 2104 L HN 0.233 nan 8.230 nan 0.000 0.493 2105 C N -1.304 118.083 119.300 0.146 0.000 2.430 2105 C HA 0.003 4.464 4.460 0.001 0.000 0.288 2105 C C 2.239 177.289 174.990 0.101 0.000 1.448 2105 C CA -0.039 59.025 59.018 0.076 0.000 1.784 2105 C CB -0.800 26.940 27.740 0.000 0.000 1.776 2105 C HN 0.451 nan 8.230 nan 0.000 0.547 2106 R N 0.066 120.662 120.500 0.159 0.000 2.397 2106 R HA 0.166 4.506 4.340 0.001 0.000 0.241 2106 R C 0.205 176.545 176.300 0.066 0.000 0.914 2106 R CA 0.148 56.316 56.100 0.113 0.000 1.071 2106 R CB -0.151 30.233 30.300 0.139 0.000 1.116 2106 R HN 0.602 nan 8.270 nan 0.000 0.524 2107 Q N 1.316 121.157 119.800 0.068 0.000 2.381 2107 Q HA 0.085 4.425 4.340 0.001 0.000 0.243 2107 Q C 0.801 176.826 176.000 0.041 0.000 1.154 2107 Q CA 0.201 56.034 55.803 0.049 0.000 0.899 2107 Q CB 0.731 29.503 28.738 0.056 0.000 1.396 2107 Q HN 0.043 nan 8.270 nan 0.000 0.485 2108 T N 1.519 116.092 114.554 0.033 0.000 2.620 2108 T HA -0.200 4.150 4.350 0.001 0.000 0.267 2108 T C 0.920 175.648 174.700 0.047 0.000 1.044 2108 T CA 1.869 63.988 62.100 0.033 0.000 1.161 2108 T CB 0.062 68.941 68.868 0.018 0.000 0.862 2108 T HN 0.484 nan 8.240 nan 0.000 0.438 2109 D N 0.611 121.040 120.400 0.048 0.000 2.144 2109 D HA -0.027 4.614 4.640 0.001 0.000 0.199 2109 D C 2.025 178.355 176.300 0.050 0.000 0.984 2109 D CA 0.507 54.540 54.000 0.056 0.000 0.834 2109 D CB -0.429 40.407 40.800 0.060 0.000 0.955 2109 D HN 0.191 nan 8.370 nan 0.000 0.465 2110 L N 0.519 121.766 121.223 0.040 0.000 2.056 2110 L HA -0.070 4.271 4.340 0.001 0.000 0.207 2110 L C 2.197 179.077 176.870 0.016 0.000 1.078 2110 L CA 1.244 56.096 54.840 0.021 0.000 0.749 2110 L CB -0.447 41.621 42.059 0.014 0.000 0.901 2110 L HN -0.010 nan 8.230 nan 0.000 0.433 2111 L N -1.406 119.833 121.223 0.027 0.000 2.017 2111 L HA -0.237 4.104 4.340 0.001 0.000 0.208 2111 L C 2.481 179.376 176.870 0.042 0.000 1.073 2111 L CA 1.264 56.122 54.840 0.030 0.000 0.745 2111 L CB -0.608 41.472 42.059 0.036 0.000 0.894 2111 L HN 0.271 nan 8.230 nan 0.000 0.432 2112 L N -0.407 120.851 121.223 0.059 0.000 2.083 2112 L HA -0.185 4.156 4.340 0.001 0.000 0.209 2112 L C 2.863 179.761 176.870 0.047 0.000 1.083 2112 L CA 1.100 55.983 54.840 0.072 0.000 0.752 2112 L CB -0.734 41.387 42.059 0.102 0.000 0.899 2112 L HN 0.251 nan 8.230 nan 0.000 0.433 2113 A N -0.017 122.827 122.820 0.040 0.000 1.930 2113 A HA -0.112 4.209 4.320 0.001 0.000 0.217 2113 A C 2.519 180.113 177.584 0.016 0.000 1.175 2113 A CA 1.589 53.644 52.037 0.030 0.000 0.627 2113 A CB -0.545 18.472 19.000 0.028 0.000 0.815 2113 A HN 0.395 nan 8.150 nan 0.000 0.443 2114 A N -0.171 122.655 122.820 0.011 0.000 1.898 2114 A HA 0.235 4.555 4.320 0.001 0.000 0.216 2114 A C 2.468 180.061 177.584 0.016 0.000 1.181 2114 A CA 1.819 53.860 52.037 0.006 0.000 0.620 2114 A CB -0.907 18.093 19.000 0.002 0.000 0.819 2114 A HN 0.993 nan 8.150 nan 0.000 0.442 2115 A N -0.245 122.588 122.820 0.021 0.000 1.969 2115 A HA -0.126 4.194 4.320 0.001 0.000 0.218 2115 A C 2.098 179.686 177.584 0.007 0.000 1.169 2115 A CA 1.813 53.861 52.037 0.018 0.000 0.635 2115 A CB -0.416 18.598 19.000 0.023 0.000 0.810 2115 A HN 0.528 nan 8.150 nan 0.000 0.445 2116 K N 0.085 120.490 120.400 0.007 0.000 2.209 2116 K HA -0.145 4.176 4.320 0.001 0.000 0.204 2116 K C 1.920 178.523 176.600 0.005 0.000 1.048 2116 K CA 1.781 58.069 56.287 0.001 0.000 0.940 2116 K CB -0.295 32.211 32.500 0.009 0.000 0.729 2116 K HN 0.633 nan 8.250 nan 0.000 0.451 2117 T N -3.117 111.443 114.554 0.010 0.000 3.007 2117 T HA 0.032 4.383 4.350 0.001 0.000 0.270 2117 T C 1.436 176.144 174.700 0.013 0.000 1.107 2117 T CA 1.048 63.155 62.100 0.012 0.000 1.118 2117 T CB -0.249 68.627 68.868 0.014 0.000 0.889 2117 T HN 0.416 nan 8.240 nan 0.000 0.506 2118 G N 1.250 110.057 108.800 0.012 0.000 2.179 2118 G HA2 -0.232 3.728 3.960 0.001 0.000 0.260 2118 G HA3 -0.232 3.728 3.960 0.001 0.000 0.260 2118 G C 0.309 175.223 174.900 0.023 0.000 0.977 2118 G CA -0.010 45.098 45.100 0.013 0.000 0.641 2118 G HN 0.627 nan 8.290 nan 0.000 0.533 2119 R N 0.466 120.983 120.500 0.028 0.000 2.546 2119 R HA 0.752 5.093 4.340 0.001 0.000 0.266 2119 R C 0.842 177.175 176.300 0.056 0.000 1.086 2119 R CA 0.158 56.283 56.100 0.041 0.000 1.160 2119 R CB 0.209 30.532 30.300 0.038 0.000 1.138 2119 R HN 0.657 nan 8.270 nan 0.000 0.567 2120 A N 0.696 123.565 122.820 0.082 0.000 2.351 2120 A HA 0.433 4.754 4.320 0.001 0.000 0.257 2120 A C -0.339 177.319 177.584 0.123 0.000 1.087 2120 A CA -0.383 51.733 52.037 0.130 0.000 0.798 2120 A CB 0.591 19.724 19.000 0.222 0.000 1.033 2120 A HN 0.322 nan 8.150 nan 0.000 0.488 2121 V N 2.373 122.376 119.914 0.149 0.000 2.540 2121 V HA 0.370 4.491 4.120 0.001 0.000 0.302 2121 V C -0.053 176.143 176.094 0.171 0.000 1.035 2121 V CA -0.750 61.617 62.300 0.111 0.000 0.873 2121 V CB 1.687 33.549 31.823 0.065 0.000 0.992 2121 V HN 0.972 nan 8.190 nan 0.000 0.428 2122 N N 3.303 122.059 118.700 0.092 0.000 2.479 2122 N HA 0.550 5.291 4.740 0.001 0.000 0.261 2122 N C -1.389 174.111 175.510 -0.016 0.000 0.979 2122 N CA -0.393 52.698 53.050 0.069 0.000 0.930 2122 N CB 1.817 40.276 38.487 -0.046 0.000 1.172 2122 N HN 0.446 nan 8.380 nan 0.000 0.499 2123 V N 3.839 123.746 119.914 -0.011 0.000 2.370 2123 V HA 0.269 4.390 4.120 0.001 0.000 0.279 2123 V C 0.198 176.219 176.094 -0.122 0.000 1.029 2123 V CA -0.740 61.524 62.300 -0.060 0.000 0.870 2123 V CB 1.177 32.983 31.823 -0.028 0.000 0.984 2123 V HN 0.569 nan 8.190 nan 0.000 0.451 2124 K N 3.911 124.201 120.400 -0.182 0.000 2.339 2124 K HA 0.189 4.509 4.320 0.001 0.000 0.286 2124 K C 0.074 176.545 176.600 -0.215 0.000 1.050 2124 K CA -0.219 55.917 56.287 -0.252 0.000 0.956 2124 K CB 0.776 33.092 32.500 -0.307 0.000 0.990 2124 K HN 0.629 nan 8.250 nan 0.000 0.475 2125 K N 1.788 122.057 120.400 -0.219 0.000 2.383 2125 K HA 0.088 4.409 4.320 0.001 0.000 0.286 2125 K C 0.311 176.709 176.600 -0.336 0.000 1.051 2125 K CA -0.126 56.021 56.287 -0.234 0.000 0.974 2125 K CB 0.394 32.775 32.500 -0.198 0.000 0.968 2125 K HN 0.694 nan 8.250 nan 0.000 0.475 2126 G N 3.241 111.749 108.800 -0.487 0.000 2.474 2126 G HA2 -0.106 3.855 3.960 0.001 0.000 0.233 2126 G HA3 -0.106 3.855 3.960 0.001 0.000 0.233 2126 G C 0.177 174.623 174.900 -0.757 0.000 1.278 2126 G CA -0.388 44.191 45.100 -0.869 0.000 0.861 2126 G HN 0.814 nan 8.290 nan 0.000 0.567 2127 Q N 0.697 120.219 119.800 -0.464 0.000 2.437 2127 Q HA -0.031 4.310 4.340 0.001 0.000 0.210 2127 Q C 1.627 177.557 176.000 -0.117 0.000 0.972 2127 Q CA 1.261 56.957 55.803 -0.178 0.000 0.903 2127 Q CB -0.159 28.609 28.738 0.051 0.000 0.967 2127 Q HN 0.823 nan 8.270 nan 0.000 0.486 2128 F N -2.882 117.086 119.950 0.031 0.000 2.695 2128 F HA 0.351 4.879 4.527 0.001 0.000 0.303 2128 F C 0.213 175.999 175.800 -0.024 0.000 1.091 2128 F CA -0.838 57.167 58.000 0.010 0.000 1.300 2128 F CB 0.019 39.030 39.000 0.018 0.000 1.071 2128 F HN -0.131 nan 8.300 nan 0.000 0.578 2129 L N 1.859 122.914 121.223 -0.281 0.000 2.334 2129 L HA 0.715 5.056 4.340 0.001 0.000 0.277 2129 L C 0.245 176.976 176.870 -0.232 0.000 1.075 2129 L CA -1.162 53.572 54.840 -0.178 0.000 0.804 2129 L CB 1.100 42.991 42.059 -0.280 0.000 1.174 2129 L HN 0.223 nan 8.230 nan 0.000 0.438 2130 A N 5.533 128.180 122.820 -0.288 0.000 2.302 2130 A HA 0.587 4.907 4.320 0.001 0.000 0.285 2130 A C -1.825 175.329 177.584 -0.716 0.000 1.105 2130 A CA -1.178 50.486 52.037 -0.622 0.000 0.816 2130 A CB 0.054 18.561 19.000 -0.820 0.000 1.067 2130 A HN 0.731 nan 8.150 nan 0.000 0.489 2131 P HA -0.202 nan 4.420 nan 0.000 0.216 2131 P C 0.980 178.245 177.300 -0.058 0.000 1.157 2131 P CA 2.280 65.151 63.100 -0.382 0.000 0.880 2131 P CB -0.151 31.357 31.700 -0.320 0.000 0.791 2132 W N -0.518 120.923 121.300 0.235 0.000 2.525 2132 W HA 0.000 4.661 4.660 0.001 0.000 0.259 2132 W C 0.971 177.531 176.519 0.069 0.000 1.253 2132 W CA 0.648 58.181 57.345 0.312 0.000 1.262 2132 W CB -1.820 27.768 29.460 0.214 0.000 1.122 2132 W HN -0.091 nan 8.180 nan 0.000 0.607 2133 D N 0.836 121.242 120.400 0.011 0.000 2.349 2133 D HA -0.081 4.560 4.640 0.001 0.000 0.224 2133 D C 1.913 178.154 176.300 -0.099 0.000 1.029 2133 D CA 1.664 55.659 54.000 -0.009 0.000 0.879 2133 D CB -0.178 40.621 40.800 -0.002 0.000 0.906 2133 D HN 0.380 nan 8.370 nan 0.000 0.528 2134 T N -2.113 112.391 114.554 -0.083 0.000 3.088 2134 T HA -0.017 4.334 4.350 0.001 0.000 0.259 2134 T C 1.718 176.177 174.700 -0.402 0.000 1.122 2134 T CA 0.250 62.296 62.100 -0.090 0.000 1.095 2134 T CB 0.301 69.252 68.868 0.138 0.000 0.930 2134 T HN 0.029 nan 8.240 nan 0.000 0.508 2135 K N 1.661 121.514 120.400 -0.911 0.000 2.063 2135 K HA -0.129 4.191 4.320 0.001 0.000 0.208 2135 K C 2.037 178.273 176.600 -0.607 0.000 1.048 2135 K CA 1.699 57.119 56.287 -1.444 0.000 0.928 2135 K CB -0.340 31.208 32.500 -1.587 0.000 0.713 2135 K HN 0.505 nan 8.250 nan 0.000 0.442 2136 N N -0.255 118.222 118.700 -0.370 0.000 2.244 2136 N HA -0.124 4.616 4.740 0.001 0.000 0.183 2136 N C 1.656 177.082 175.510 -0.140 0.000 1.016 2136 N CA 0.783 53.713 53.050 -0.201 0.000 0.866 2136 N CB 0.168 38.576 38.487 -0.131 0.000 0.980 2136 N HN -0.028 nan 8.380 nan 0.000 0.430 2137 V N 0.622 120.454 119.914 -0.137 0.000 2.307 2137 V HA -0.178 3.943 4.120 0.001 0.000 0.245 2137 V C 2.245 178.308 176.094 -0.052 0.000 1.045 2137 V CA 1.273 63.532 62.300 -0.067 0.000 1.024 2137 V CB -0.416 31.378 31.823 -0.047 0.000 0.651 2137 V HN 0.126 nan 8.190 nan 0.000 0.449 2138 V N 0.110 119.972 119.914 -0.086 0.000 2.332 2138 V HA -0.322 3.798 4.120 0.001 0.000 0.248 2138 V C 2.485 178.568 176.094 -0.019 0.000 1.055 2138 V CA 2.424 64.705 62.300 -0.032 0.000 1.038 2138 V CB -0.610 31.202 31.823 -0.018 0.000 0.651 2138 V HN 0.704 nan 8.190 nan 0.000 0.450 2139 E N 0.163 120.327 120.200 -0.060 0.000 2.118 2139 E HA -0.268 4.082 4.350 0.001 0.000 0.195 2139 E C 2.259 178.886 176.600 0.044 0.000 0.992 2139 E CA 1.453 57.843 56.400 -0.016 0.000 0.804 2139 E CB -0.049 29.614 29.700 -0.061 0.000 0.741 2139 E HN 0.591 nan 8.360 nan 0.000 0.458 2140 K N 0.193 120.607 120.400 0.023 0.000 2.026 2140 K HA -0.138 4.182 4.320 0.001 0.000 0.208 2140 K C 2.328 179.010 176.600 0.137 0.000 1.048 2140 K CA 1.386 57.717 56.287 0.073 0.000 0.929 2140 K CB -0.173 32.346 32.500 0.031 0.000 0.713 2140 K HN 0.207 nan 8.250 nan 0.000 0.439 2141 L N 1.192 122.462 121.223 0.079 0.000 2.046 2141 L HA -0.216 4.125 4.340 0.001 0.000 0.208 2141 L C 2.371 179.283 176.870 0.070 0.000 1.077 2141 L CA 1.420 56.301 54.840 0.069 0.000 0.747 2141 L CB -0.359 41.726 42.059 0.043 0.000 0.896 2141 L HN 0.151 nan 8.230 nan 0.000 0.432 2142 K N -0.534 119.911 120.400 0.074 0.000 2.057 2142 K HA -0.217 4.104 4.320 0.001 0.000 0.207 2142 K C 2.087 178.733 176.600 0.077 0.000 1.049 2142 K CA 1.586 57.910 56.287 0.062 0.000 0.931 2142 K CB -0.309 32.229 32.500 0.063 0.000 0.714 2142 K HN 0.116 nan 8.250 nan 0.000 0.440 2143 F N 1.187 121.134 119.950 -0.005 0.000 2.216 2143 F HA -0.087 4.440 4.527 0.001 0.000 0.300 2143 F C 1.796 177.597 175.800 0.001 0.000 1.085 2143 F CA 1.573 59.571 58.000 -0.003 0.000 1.326 2143 F CB -0.328 38.668 39.000 -0.006 0.000 1.027 2143 F HN -0.038 nan 8.300 nan 0.000 0.497 2144 G N -1.087 107.712 108.800 -0.002 0.000 2.920 2144 G HA2 0.293 4.254 3.960 0.001 0.000 0.208 2144 G HA3 0.293 4.254 3.960 0.001 0.000 0.208 2144 G C 1.259 176.101 174.900 -0.097 0.000 1.159 2144 G CA 0.294 45.347 45.100 -0.078 0.000 0.784 2144 G HN 0.988 nan 8.290 nan 0.000 0.535 2145 G N -1.503 107.241 108.800 -0.093 0.000 2.144 2145 G HA2 0.135 4.096 3.960 0.001 0.000 0.218 2145 G HA3 0.135 4.096 3.960 0.001 0.000 0.218 2145 G C 0.432 175.318 174.900 -0.025 0.000 0.988 2145 G CA 0.097 45.157 45.100 -0.067 0.000 0.659 2145 G HN 1.285 nan 8.290 nan 0.000 0.522 2146 A N -0.201 122.616 122.820 -0.005 0.000 2.363 2146 A HA 0.749 5.070 4.320 0.001 0.000 0.270 2146 A C 1.085 178.671 177.584 0.004 0.000 1.121 2146 A CA 0.820 52.862 52.037 0.008 0.000 0.800 2146 A CB 0.515 19.528 19.000 0.021 0.000 1.052 2146 A HN 0.369 nan 8.150 nan 0.000 0.493 2147 K N 0.888 121.289 120.400 0.002 0.000 2.350 2147 K HA 0.099 4.420 4.320 0.001 0.000 0.196 2147 K C 0.286 176.871 176.600 -0.025 0.000 1.084 2147 K CA 0.362 56.645 56.287 -0.006 0.000 0.967 2147 K CB 0.532 33.031 32.500 -0.002 0.000 0.950 2147 K HN 0.789 nan 8.250 nan 0.000 0.512 2148 E N 2.001 122.190 120.200 -0.018 0.000 2.063 2148 E HA 0.279 4.629 4.350 0.001 0.000 0.265 2148 E C -1.238 175.313 176.600 -0.083 0.000 0.919 2148 E CA -0.231 56.128 56.400 -0.068 0.000 0.756 2148 E CB 0.541 30.258 29.700 0.029 0.000 1.120 2148 E HN 0.087 nan 8.360 nan 0.000 0.414 2149 I N 4.509 124.955 120.570 -0.208 0.000 2.433 2149 I HA 0.335 4.506 4.170 0.001 0.000 0.292 2149 I C -1.067 174.885 176.117 -0.276 0.000 1.001 2149 I CA -0.885 60.342 61.300 -0.122 0.000 1.119 2149 I CB 1.116 39.095 38.000 -0.034 0.000 1.289 2149 I HN 0.471 nan 8.210 nan 0.000 0.438 2150 Y N 5.666 125.969 120.300 0.005 0.000 2.485 2150 Y HA 0.656 5.206 4.550 0.001 0.000 0.345 2150 Y C -0.466 175.423 175.900 -0.018 0.000 0.998 2150 Y CA -0.827 57.267 58.100 -0.010 0.000 1.059 2150 Y CB 1.881 40.323 38.460 -0.030 0.000 1.234 2150 Y HN 0.280 nan 8.280 nan 0.000 0.461 2151 L N 2.571 123.875 121.223 0.135 0.000 2.356 2151 L HA 0.592 4.932 4.340 0.001 0.000 0.277 2151 L C -0.687 176.185 176.870 0.004 0.000 0.996 2151 L CA -0.546 54.326 54.840 0.054 0.000 0.822 2151 L CB 2.086 44.191 42.059 0.078 0.000 1.256 2151 L HN 0.647 nan 8.230 nan 0.000 0.413 2152 T N 1.214 115.718 114.554 -0.084 0.000 2.779 2152 T HA 0.236 4.587 4.350 0.001 0.000 0.280 2152 T C -0.361 174.232 174.700 -0.178 0.000 0.987 2152 T CA -0.463 61.542 62.100 -0.157 0.000 0.966 2152 T CB 1.612 70.289 68.868 -0.319 0.000 0.933 2152 T HN 0.410 nan 8.240 nan 0.000 0.442 2153 E N 2.624 122.748 120.200 -0.127 0.000 2.259 2153 E HA 0.288 4.638 4.350 0.001 0.000 0.281 2153 E C 0.480 176.952 176.600 -0.214 0.000 1.037 2153 E CA -0.519 55.806 56.400 -0.124 0.000 0.854 2153 E CB 0.454 30.149 29.700 -0.007 0.000 1.051 2153 E HN 0.630 nan 8.360 nan 0.000 0.409 2154 R N 3.017 123.379 120.500 -0.231 0.000 2.592 2154 R HA 0.487 4.828 4.340 0.001 0.000 0.439 2154 R C 0.139 176.329 176.300 -0.185 0.000 0.995 2154 R CA -0.166 55.779 56.100 -0.258 0.000 1.141 2154 R CB 0.070 30.190 30.300 -0.300 0.000 1.495 2154 R HN 0.658 nan 8.270 nan 0.000 0.579 2155 G N 0.006 108.709 108.800 -0.162 0.000 2.662 2155 G HA2 -0.028 3.933 3.960 0.001 0.000 0.686 2155 G HA3 -0.028 3.933 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 44.583 45.100 -0.130 0.000 0.816 2155 G HN 0.202 nan 8.290 nan 0.000 0.608 2156 T N 0.811 115.311 114.554 -0.090 0.000 2.900 2156 T HA 0.657 5.008 4.350 0.001 0.000 0.295 2156 T C 0.412 175.132 174.700 0.033 0.000 1.044 2156 T CA -0.047 62.018 62.100 -0.058 0.000 0.995 2156 T CB 1.719 70.536 68.868 -0.085 0.000 1.072 2156 T HN 0.887 nan 8.240 nan 0.000 0.473 2157 T N 2.931 117.526 114.554 0.068 0.000 2.871 2157 T HA 0.167 4.518 4.350 0.001 0.000 0.296 2157 T C -0.759 174.049 174.700 0.180 0.000 0.998 2157 T CA 0.514 62.687 62.100 0.121 0.000 1.162 2157 T CB -0.436 68.505 68.868 0.122 0.000 0.947 2157 T HN 0.424 nan 8.240 nan 0.000 0.536 2158 F N 3.933 123.874 119.950 -0.015 0.000 2.691 2158 F HA 0.523 5.050 4.527 0.001 0.000 0.371 2158 F C 0.663 176.429 175.800 -0.057 0.000 1.159 2158 F CA 0.030 58.007 58.000 -0.038 0.000 1.174 2158 F CB -0.080 38.900 39.000 -0.033 0.000 1.419 2158 F HN 0.929 nan 8.300 nan 0.000 0.514 2159 G N 2.942 111.513 108.800 -0.382 0.000 2.598 2159 G HA2 -0.285 3.676 3.960 0.001 0.000 0.244 2159 G HA3 -0.285 3.676 3.960 0.001 0.000 0.244 2159 G C -1.338 173.390 174.900 -0.287 0.000 1.302 2159 G CA -0.322 44.479 45.100 -0.499 0.000 0.903 2159 G HN 0.526 nan 8.290 nan 0.000 0.575 2160 Y N 1.540 121.800 120.300 -0.067 0.000 2.334 2160 Y HA 0.484 5.035 4.550 0.001 0.000 0.328 2160 Y C 1.424 177.331 175.900 0.011 0.000 1.130 2160 Y CA -0.534 57.557 58.100 -0.016 0.000 1.163 2160 Y CB 0.986 39.435 38.460 -0.018 0.000 1.207 2160 Y HN 0.649 nan 8.280 nan 0.000 0.471 2161 N N 1.894 120.724 118.700 0.217 0.000 2.727 2161 N HA -0.323 4.418 4.740 0.001 0.000 0.249 2161 N C -0.826 174.762 175.510 0.130 0.000 1.048 2161 N CA 1.022 54.159 53.050 0.144 0.000 0.714 2161 N CB -1.094 37.462 38.487 0.116 0.000 0.959 2161 N HN 0.899 nan 8.380 nan 0.000 0.544 2162 N N -0.335 118.448 118.700 0.138 0.000 2.446 2162 N HA 0.510 5.250 4.740 0.001 0.000 0.272 2162 N C -1.533 174.076 175.510 0.164 0.000 1.127 2162 N CA -0.537 52.602 53.050 0.149 0.000 0.896 2162 N CB 1.536 40.130 38.487 0.178 0.000 1.658 2162 N HN -0.008 nan 8.380 nan 0.000 0.483 2163 L N 2.285 123.584 121.223 0.127 0.000 2.381 2163 L HA 0.687 5.028 4.340 0.001 0.000 0.268 2163 L C -0.720 176.161 176.870 0.019 0.000 0.997 2163 L CA -1.001 53.888 54.840 0.081 0.000 0.818 2163 L CB 2.034 44.113 42.059 0.033 0.000 1.310 2163 L HN 0.283 nan 8.230 nan 0.000 0.416 2164 V N 3.224 123.105 119.914 -0.055 0.000 2.769 2164 V HA 0.555 4.676 4.120 0.001 0.000 0.312 2164 V C -0.728 175.250 176.094 -0.192 0.000 1.061 2164 V CA -0.494 61.685 62.300 -0.203 0.000 0.931 2164 V CB 2.596 34.118 31.823 -0.500 0.000 1.010 2164 V HN 0.412 nan 8.190 nan 0.000 0.433 2165 V N 5.050 124.834 119.914 -0.217 0.000 2.333 2165 V HA 0.376 4.497 4.120 0.001 0.000 0.274 2165 V C -0.334 175.533 176.094 -0.379 0.000 1.028 2165 V CA -0.468 61.628 62.300 -0.339 0.000 0.851 2165 V CB 1.365 32.903 31.823 -0.475 0.000 1.000 2165 V HN 0.912 nan 8.190 nan 0.000 0.456 2166 D N 3.959 124.165 120.400 -0.323 0.000 2.411 2166 D HA 0.254 4.895 4.640 0.001 0.000 0.225 2166 D C 0.647 176.808 176.300 -0.231 0.000 1.156 2166 D CA -0.364 53.517 54.000 -0.198 0.000 0.874 2166 D CB 0.685 41.398 40.800 -0.146 0.000 1.034 2166 D HN 0.391 nan 8.370 nan 0.000 0.502 2167 F N 2.065 121.963 119.950 -0.087 0.000 2.641 2167 F HA 0.015 4.542 4.527 0.001 0.000 0.298 2167 F C 2.236 177.992 175.800 -0.074 0.000 1.146 2167 F CA 0.410 58.354 58.000 -0.093 0.000 1.464 2167 F CB 0.050 38.980 39.000 -0.117 0.000 1.101 2167 F HN 0.289 nan 8.300 nan 0.000 0.585 2168 R N -0.227 120.315 120.500 0.069 0.000 2.193 2168 R HA -0.132 4.209 4.340 0.001 0.000 0.229 2168 R C 2.462 178.768 176.300 0.009 0.000 1.110 2168 R CA 1.276 57.406 56.100 0.049 0.000 0.988 2168 R CB -0.524 29.815 30.300 0.065 0.000 0.871 2168 R HN 0.350 nan 8.270 nan 0.000 0.458 2169 S N 0.614 116.286 115.700 -0.047 0.000 2.402 2169 S HA -0.111 4.360 4.470 0.001 0.000 0.229 2169 S C 1.864 176.422 174.600 -0.070 0.000 1.021 2169 S CA 0.712 58.863 58.200 -0.081 0.000 0.974 2169 S CB -0.155 62.961 63.200 -0.140 0.000 0.800 2169 S HN 0.061 nan 8.310 nan 0.000 0.484 2170 L N 2.824 124.017 121.223 -0.049 0.000 1.970 2170 L HA 0.024 4.365 4.340 0.001 0.000 0.212 2170 L C -0.372 176.443 176.870 -0.091 0.000 1.071 2170 L CA 1.995 56.805 54.840 -0.050 0.000 0.751 2170 L CB -1.652 40.404 42.059 -0.004 0.000 0.889 2170 L HN 0.285 nan 8.230 nan 0.000 0.432 2171 P HA -0.130 nan 4.420 nan 0.000 0.221 2171 P C 2.049 179.252 177.300 -0.162 0.000 1.150 2171 P CA 1.501 64.538 63.100 -0.104 0.000 0.800 2171 P CB 0.112 31.779 31.700 -0.055 0.000 0.787 2172 I N -0.740 119.749 120.570 -0.135 0.000 2.202 2172 I HA -0.177 3.994 4.170 0.001 0.000 0.242 2172 I C 2.721 178.532 176.117 -0.509 0.000 1.091 2172 I CA 1.462 62.647 61.300 -0.192 0.000 1.368 2172 I CB -0.565 37.451 38.000 0.025 0.000 1.058 2172 I HN -0.164 nan 8.210 nan 0.000 0.410 2173 M N 0.090 119.478 119.600 -0.353 0.000 2.319 2173 M HA -0.151 4.330 4.480 0.001 0.000 0.265 2173 M C 2.098 178.013 176.300 -0.640 0.000 1.068 2173 M CA 1.119 56.147 55.300 -0.453 0.000 1.118 2173 M CB -0.317 32.238 32.600 -0.075 0.000 1.395 2173 M HN -0.024 nan 8.290 nan 0.000 0.435 2174 K N 1.130 121.278 120.400 -0.419 0.000 2.442 2174 K HA -0.134 4.186 4.320 0.001 0.000 0.198 2174 K C 1.618 177.991 176.600 -0.379 0.000 1.044 2174 K CA 1.348 57.450 56.287 -0.308 0.000 0.948 2174 K CB -0.154 32.228 32.500 -0.198 0.000 0.762 2174 K HN 0.432 nan 8.250 nan 0.000 0.472 2175 Q N -1.258 118.149 119.800 -0.654 0.000 2.224 2175 Q HA -0.124 4.217 4.340 0.001 0.000 0.203 2175 Q C 0.690 176.529 176.000 -0.268 0.000 0.970 2175 Q CA 1.650 57.143 55.803 -0.517 0.000 0.865 2175 Q CB -0.072 28.239 28.738 -0.711 0.000 0.922 2175 Q HN 0.656 nan 8.270 nan 0.000 0.445 2176 W N -2.194 119.107 121.300 0.002 0.000 2.534 2176 W HA 0.712 5.372 4.660 0.001 0.000 0.339 2176 W C -0.077 176.425 176.519 -0.028 0.000 0.961 2176 W CA -0.191 57.150 57.345 -0.006 0.000 1.545 2176 W CB 0.323 29.786 29.460 0.006 0.000 1.104 2176 W HN -0.091 nan 8.180 nan 0.000 0.538 2177 A N 0.702 123.559 122.820 0.061 0.000 2.586 2177 A HA 0.592 4.913 4.320 0.001 0.000 0.290 2177 A C -1.113 176.433 177.584 -0.063 0.000 1.086 2177 A CA -1.243 50.811 52.037 0.027 0.000 0.665 2177 A CB 0.884 19.955 19.000 0.119 0.000 1.279 2177 A HN 0.018 nan 8.150 nan 0.000 0.423 2178 K N 0.486 120.812 120.400 -0.123 0.000 2.298 2178 K HA 0.504 4.824 4.320 0.001 0.000 0.280 2178 K C -0.855 175.756 176.600 0.018 0.000 1.032 2178 K CA -0.228 56.004 56.287 -0.092 0.000 0.958 2178 K CB 1.245 33.611 32.500 -0.224 0.000 0.978 2178 K HN 0.376 nan 8.250 nan 0.000 0.472 2179 V N 4.928 124.858 119.914 0.027 0.000 2.435 2179 V HA 0.334 4.454 4.120 0.001 0.000 0.290 2179 V C -0.067 176.064 176.094 0.062 0.000 1.030 2179 V CA -0.876 61.447 62.300 0.039 0.000 0.881 2179 V CB 1.273 33.090 31.823 -0.011 0.000 0.983 2179 V HN 0.584 nan 8.190 nan 0.000 0.445 2180 I N 4.170 124.774 120.570 0.057 0.000 2.493 2180 I HA 0.397 4.567 4.170 0.001 0.000 0.298 2180 I C -0.796 175.359 176.117 0.063 0.000 0.998 2180 I CA -0.866 60.452 61.300 0.029 0.000 1.137 2180 I CB 1.767 39.750 38.000 -0.028 0.000 1.310 2180 I HN 0.684 nan 8.210 nan 0.000 0.445 2181 Y N 4.593 124.886 120.300 -0.012 0.000 2.331 2181 Y HA 0.334 4.885 4.550 0.001 0.000 0.338 2181 Y C -0.105 175.816 175.900 0.035 0.000 0.976 2181 Y CA -0.933 57.168 58.100 0.002 0.000 1.137 2181 Y CB 0.884 39.387 38.460 0.073 0.000 1.172 2181 Y HN 0.509 nan 8.280 nan 0.000 0.478 2182 D N 5.165 125.153 120.400 -0.687 0.000 2.393 2182 D HA 0.234 4.875 4.640 0.001 0.000 0.232 2182 D C 0.611 176.407 176.300 -0.841 0.000 1.192 2182 D CA 0.373 54.069 54.000 -0.507 0.000 0.882 2182 D CB 1.229 41.752 40.800 -0.463 0.000 1.038 2182 D HN 0.790 nan 8.370 nan 0.000 0.499 2183 A N 2.912 125.425 122.820 -0.511 0.000 2.066 2183 A HA -0.090 4.230 4.320 0.001 0.000 0.218 2183 A C 1.904 179.460 177.584 -0.047 0.000 1.157 2183 A CA 1.656 53.554 52.037 -0.232 0.000 0.670 2183 A CB -0.240 18.837 19.000 0.128 0.000 0.804 2183 A HN 0.613 nan 8.150 nan 0.000 0.453 2184 T N -4.252 110.281 114.554 -0.035 0.000 3.039 2184 T HA 0.199 4.550 4.350 0.001 0.000 0.250 2184 T C 1.834 176.532 174.700 -0.004 0.000 1.052 2184 T CA 1.047 63.154 62.100 0.012 0.000 1.125 2184 T CB -0.269 68.611 68.868 0.020 0.000 0.908 2184 T HN 0.274 nan 8.240 nan 0.000 0.473 2185 G N 1.187 109.958 108.800 -0.048 0.000 2.464 2185 G HA2 -0.027 3.934 3.960 0.001 0.000 0.217 2185 G HA3 -0.027 3.934 3.960 0.001 0.000 0.217 2185 G C 1.699 176.548 174.900 -0.084 0.000 1.138 2185 G CA 0.588 45.643 45.100 -0.075 0.000 0.793 2185 G HN 0.521 nan 8.290 nan 0.000 0.539 2186 S N -0.097 115.533 115.700 -0.117 0.000 2.474 2186 S HA -0.058 4.413 4.470 0.001 0.000 0.235 2186 S C 2.133 176.748 174.600 0.025 0.000 0.997 2186 S CA 1.139 59.300 58.200 -0.065 0.000 0.949 2186 S CB 0.093 63.260 63.200 -0.056 0.000 0.766 2186 S HN 0.516 nan 8.310 nan 0.000 0.517 2187 V N 0.110 120.061 119.914 0.063 0.000 3.483 2187 V HA 0.251 4.372 4.120 0.001 0.000 0.301 2187 V C 0.383 176.542 176.094 0.108 0.000 1.389 2187 V CA -0.577 61.797 62.300 0.124 0.000 1.101 2187 V CB -0.799 31.149 31.823 0.208 0.000 0.971 2187 V HN 0.489 nan 8.190 nan 0.000 0.434 2188 Q N 1.318 121.156 119.800 0.063 0.000 2.354 2188 Q HA 0.588 4.928 4.340 0.001 0.000 0.244 2188 Q C -0.767 175.276 176.000 0.071 0.000 0.969 2188 Q CA -0.590 55.249 55.803 0.060 0.000 0.885 2188 Q CB 1.586 30.343 28.738 0.031 0.000 1.241 2188 Q HN 0.518 nan 8.270 nan 0.000 0.461 2189 L N 2.764 124.034 121.223 0.078 0.000 2.313 2189 L HA 0.412 4.753 4.340 0.001 0.000 0.273 2189 L C -2.208 174.712 176.870 0.083 0.000 1.028 2189 L CA -2.286 52.607 54.840 0.088 0.000 0.871 2189 L CB 1.016 43.131 42.059 0.093 0.000 1.242 2189 L HN 0.521 nan 8.230 nan 0.000 0.434 2190 P HA 0.051 nan 4.420 nan 0.000 0.260 2190 P C 0.616 177.973 177.300 0.095 0.000 1.172 2190 P CA 0.809 63.973 63.100 0.106 0.000 0.760 2190 P CB 0.545 32.328 31.700 0.140 0.000 0.773 2200 M N 0.920 120.617 119.600 0.161 0.000 2.043 2200 M HA 0.487 4.968 4.480 0.001 0.000 0.322 2200 M C 1.131 177.470 176.300 0.066 0.000 0.962 2200 M CA -0.515 54.857 55.300 0.120 0.000 0.927 2200 M CB 1.987 34.728 32.600 0.235 0.000 1.466 2200 M HN 0.632 nan 8.290 nan 0.000 0.412 2201 R N 2.139 122.638 120.500 -0.001 0.000 2.152 2201 R HA -0.166 4.174 4.340 0.001 0.000 0.232 2201 R C 1.590 177.861 176.300 -0.049 0.000 1.117 2201 R CA 2.104 58.203 56.100 -0.001 0.000 0.981 2201 R CB 0.134 30.427 30.300 -0.011 0.000 0.870 2201 R HN 0.849 nan 8.270 nan 0.000 0.451 2202 E N -0.683 119.391 120.200 -0.211 0.000 2.331 2202 E HA -0.200 4.151 4.350 0.001 0.000 0.199 2202 E C 0.652 177.054 176.600 -0.330 0.000 1.008 2202 E CA 0.987 57.187 56.400 -0.335 0.000 0.843 2202 E CB -0.164 29.196 29.700 -0.568 0.000 0.761 2202 E HN 0.387 nan 8.360 nan 0.000 0.507 2203 F N 0.447 120.455 119.950 0.097 0.000 2.695 2203 F HA 0.329 4.857 4.527 0.001 0.000 0.303 2203 F C 1.744 177.638 175.800 0.157 0.000 1.091 2203 F CA -0.593 57.474 58.000 0.112 0.000 1.300 2203 F CB -0.032 39.027 39.000 0.098 0.000 1.071 2203 F HN -0.055 nan 8.300 nan 0.000 0.578 2204 I N -0.457 120.280 120.570 0.278 0.000 2.127 2204 I HA -0.365 3.805 4.170 0.001 0.000 0.241 2204 I C 2.548 178.876 176.117 0.352 0.000 1.075 2204 I CA 1.857 63.319 61.300 0.270 0.000 1.334 2204 I CB -0.493 37.606 38.000 0.165 0.000 1.040 2204 I HN 0.136 nan 8.210 nan 0.000 0.405 2205 F N 1.777 121.801 119.950 0.123 0.000 2.102 2205 F HA -0.154 4.373 4.527 0.001 0.000 0.298 2205 F C -0.340 175.522 175.800 0.104 0.000 1.105 2205 F CA 1.149 59.209 58.000 0.100 0.000 1.239 2205 F CB -1.024 38.011 39.000 0.059 0.000 0.991 2205 F HN 0.022 nan 8.300 nan 0.000 0.474 2206 P HA -0.207 nan 4.420 nan 0.000 0.216 2206 P C 1.713 179.057 177.300 0.072 0.000 1.153 2206 P CA 1.624 64.746 63.100 0.038 0.000 0.858 2206 P CB -0.092 31.679 31.700 0.119 0.000 0.789 2207 L N -1.565 119.781 121.223 0.205 0.000 2.217 2207 L HA -0.072 4.268 4.340 0.001 0.000 0.211 2207 L C 2.410 179.380 176.870 0.167 0.000 1.107 2207 L CA 0.909 55.883 54.840 0.224 0.000 0.783 2207 L CB -0.558 41.741 42.059 0.400 0.000 0.919 2207 L HN -0.038 nan 8.230 nan 0.000 0.442 2208 I N -0.293 120.460 120.570 0.305 0.000 2.439 2208 I HA -0.226 3.945 4.170 0.001 0.000 0.251 2208 I C 2.725 178.928 176.117 0.144 0.000 1.139 2208 I CA 0.922 62.410 61.300 0.315 0.000 1.438 2208 I CB -0.028 38.227 38.000 0.426 0.000 1.085 2208 I HN 0.204 nan 8.210 nan 0.000 0.427 2209 R N 0.626 121.184 120.500 0.096 0.000 2.092 2209 R HA -0.119 4.222 4.340 0.001 0.000 0.231 2209 R C 2.345 178.571 176.300 -0.123 0.000 1.119 2209 R CA 1.391 57.480 56.100 -0.019 0.000 0.970 2209 R CB -0.472 29.743 30.300 -0.143 0.000 0.864 2209 R HN 0.413 nan 8.270 nan 0.000 0.440 2210 A N 1.458 124.136 122.820 -0.237 0.000 1.902 2210 A HA -0.113 4.208 4.320 0.001 0.000 0.217 2210 A C 2.409 179.699 177.584 -0.491 0.000 1.181 2210 A CA 1.663 53.399 52.037 -0.501 0.000 0.623 2210 A CB -0.602 17.850 19.000 -0.914 0.000 0.818 2210 A HN 0.384 nan 8.150 nan 0.000 0.443 2211 A N -0.021 122.606 122.820 -0.320 0.000 1.908 2211 A HA -0.075 4.246 4.320 0.001 0.000 0.218 2211 A C 2.289 179.845 177.584 -0.048 0.000 1.181 2211 A CA 2.462 54.413 52.037 -0.144 0.000 0.627 2211 A CB -1.255 17.554 19.000 -0.318 0.000 0.818 2211 A HN 1.155 nan 8.150 nan 0.000 0.445 2212 V N -2.956 116.958 119.914 0.000 0.000 2.871 2212 V HA 0.153 4.274 4.120 0.001 0.000 0.256 2212 V C 2.415 178.568 176.094 0.099 0.000 1.082 2212 V CA 1.446 63.782 62.300 0.060 0.000 1.105 2212 V CB -1.184 30.661 31.823 0.038 0.000 0.713 2212 V HN 0.491 nan 8.190 nan 0.000 0.473 2213 A N 0.516 123.344 122.820 0.012 0.000 1.929 2213 A HA 0.018 4.339 4.320 0.001 0.000 0.216 2213 A C 2.312 179.953 177.584 0.094 0.000 1.176 2213 A CA 1.834 53.902 52.037 0.052 0.000 0.628 2213 A CB -0.594 18.364 19.000 -0.069 0.000 0.816 2213 A HN 0.401 nan 8.150 nan 0.000 0.444 2214 V N -0.797 119.086 119.914 -0.051 0.000 2.323 2214 V HA 0.269 4.390 4.120 0.001 0.000 0.244 2214 V C 1.329 177.301 176.094 -0.203 0.000 1.041 2214 V CA 1.383 63.640 62.300 -0.072 0.000 1.025 2214 V CB -1.189 30.588 31.823 -0.077 0.000 0.656 2214 V HN 1.233 nan 8.190 nan 0.000 0.451 2215 G N -0.353 108.234 108.800 -0.355 0.000 3.400 2215 G HA2 0.094 4.054 3.960 0.001 0.000 0.679 2215 G HA3 0.094 4.054 3.960 0.001 0.000 0.679 2215 G C -0.759 173.899 174.900 -0.404 0.000 1.239 2215 G CA -0.657 43.892 45.100 -0.918 0.000 1.049 2215 G HN 0.993 nan 8.290 nan 0.000 0.539 2216 C N 0.293 119.482 119.300 -0.184 0.000 3.285 2216 C HA 0.884 5.345 4.460 0.001 0.000 0.320 2216 C C 0.594 175.667 174.990 0.138 0.000 1.411 2216 C CA -0.519 58.504 59.018 0.008 0.000 1.429 2216 C CB 1.872 29.676 27.740 0.106 0.000 1.812 2216 C HN 0.636 nan 8.230 nan 0.000 0.454 2217 D N 0.234 120.683 120.400 0.082 0.000 2.360 2217 D HA 0.400 5.041 4.640 0.001 0.000 0.210 2217 D C 0.764 176.918 176.300 -0.244 0.000 1.047 2217 D CA 1.303 55.341 54.000 0.064 0.000 0.854 2217 D CB 0.973 41.810 40.800 0.061 0.000 0.936 2217 D HN 1.087 nan 8.370 nan 0.000 0.514 2218 G N -0.380 108.181 108.800 -0.399 0.000 2.328 2218 G HA2 0.373 4.334 3.960 0.001 0.000 0.295 2218 G HA3 0.373 4.334 3.960 0.001 0.000 0.295 2218 G C -1.760 172.917 174.900 -0.371 0.000 1.413 2218 G CA -0.575 43.952 45.100 -0.955 0.000 0.817 2218 G HN -0.053 nan 8.290 nan 0.000 0.546 2219 V N -0.044 119.675 119.914 -0.326 0.000 3.001 2219 V HA 0.801 4.921 4.120 0.001 0.000 0.314 2219 V C -1.262 174.825 176.094 -0.011 0.000 1.099 2219 V CA -0.731 61.573 62.300 0.006 0.000 0.989 2219 V CB 2.065 33.988 31.823 0.167 0.000 1.040 2219 V HN 0.844 nan 8.190 nan 0.000 0.434 2220 F N 4.092 123.953 119.950 -0.150 0.000 2.477 2220 F HA 0.817 5.345 4.527 0.001 0.000 0.335 2220 F C -0.534 175.169 175.800 -0.161 0.000 1.130 2220 F CA -0.597 57.294 58.000 -0.181 0.000 0.948 2220 F CB 1.544 40.420 39.000 -0.207 0.000 1.154 2220 F HN 0.374 nan 8.300 nan 0.000 0.439 2221 M N 5.653 125.017 119.600 -0.393 0.000 2.271 2221 M HA 0.300 4.781 4.480 0.001 0.000 0.285 2221 M C -1.212 174.863 176.300 -0.375 0.000 1.059 2221 M CA -0.539 54.612 55.300 -0.249 0.000 0.940 2221 M CB 2.565 35.083 32.600 -0.137 0.000 1.636 2221 M HN 0.499 nan 8.290 nan 0.000 0.460 2222 E N 1.810 121.870 120.200 -0.234 0.000 2.229 2222 E HA 0.369 4.720 4.350 0.001 0.000 0.283 2222 E C -0.546 175.988 176.600 -0.110 0.000 1.030 2222 E CA -0.218 56.062 56.400 -0.200 0.000 0.836 2222 E CB 1.844 31.495 29.700 -0.081 0.000 1.068 2222 E HN 0.455 nan 8.360 nan 0.000 0.401 2223 T N 2.546 117.034 114.554 -0.110 0.000 2.893 2223 T HA 0.247 4.597 4.350 0.001 0.000 0.293 2223 T C -1.515 173.199 174.700 0.024 0.000 1.027 2223 T CA -0.630 61.446 62.100 -0.041 0.000 0.988 2223 T CB 1.167 69.996 68.868 -0.065 0.000 1.043 2223 T HN 0.448 nan 8.240 nan 0.000 0.461 2224 H N 3.525 122.568 119.070 -0.045 0.000 2.894 2224 H HA 0.369 4.926 4.556 0.001 0.000 0.367 2224 H C -2.435 172.883 175.328 -0.018 0.000 1.144 2224 H CA -1.772 54.261 56.048 -0.025 0.000 1.180 2224 H CB 2.715 32.464 29.762 -0.022 0.000 1.758 2224 H HN 0.330 nan 8.280 nan 0.000 0.541 2225 P HA -0.095 nan 4.420 nan 0.000 0.216 2225 P C -0.656 176.756 177.300 0.186 0.000 1.150 2225 P CA 1.506 64.645 63.100 0.064 0.000 0.843 2225 P CB 0.407 32.086 31.700 -0.035 0.000 0.787 2226 E N -2.546 117.916 120.200 0.437 0.000 3.117 2226 E HA 0.147 4.498 4.350 0.001 0.000 0.262 2226 E C -2.227 174.347 176.600 -0.044 0.000 1.202 2226 E CA -1.569 54.934 56.400 0.172 0.000 0.853 2226 E CB 1.065 30.834 29.700 0.114 0.000 1.426 2226 E HN 0.064 nan 8.360 nan 0.000 0.387 2227 P HA -0.318 nan 4.420 nan 0.000 0.218 2227 P C 1.263 178.435 177.300 -0.214 0.000 1.154 2227 P CA 1.592 64.573 63.100 -0.199 0.000 0.872 2227 P CB 0.169 31.834 31.700 -0.059 0.000 0.790 2228 E N 0.262 120.390 120.200 -0.120 0.000 2.267 2228 E HA -0.204 4.147 4.350 0.001 0.000 0.197 2228 E C 1.263 177.793 176.600 -0.116 0.000 0.998 2228 E CA 1.211 57.556 56.400 -0.091 0.000 0.830 2228 E CB -0.675 28.995 29.700 -0.050 0.000 0.751 2228 E HN 0.275 nan 8.360 nan 0.000 0.491 2229 K N 0.507 120.807 120.400 -0.167 0.000 2.374 2229 K HA 0.289 4.609 4.320 0.001 0.000 0.196 2229 K C 0.336 176.783 176.600 -0.254 0.000 1.023 2229 K CA 0.100 56.297 56.287 -0.151 0.000 1.103 2229 K CB 0.791 33.251 32.500 -0.068 0.000 0.848 2229 K HN 0.142 nan 8.250 nan 0.000 0.528 2230 A N 1.025 123.587 122.820 -0.429 0.000 2.466 2230 A HA 0.110 4.431 4.320 0.001 0.000 0.238 2230 A C 0.936 178.406 177.584 -0.190 0.000 1.074 2230 A CA -0.045 51.730 52.037 -0.437 0.000 0.774 2230 A CB 0.173 18.915 19.000 -0.430 0.000 1.015 2230 A HN 0.274 nan 8.150 nan 0.000 0.498 2231 L N 1.006 122.139 121.223 -0.150 0.000 2.567 2231 L HA 0.119 4.459 4.340 0.001 0.000 0.225 2231 L C 0.648 177.546 176.870 0.047 0.000 1.119 2231 L CA 0.769 55.531 54.840 -0.129 0.000 0.871 2231 L CB -0.466 41.298 42.059 -0.492 0.000 1.036 2231 L HN 0.806 nan 8.230 nan 0.000 0.459 2232 S N -2.881 112.849 115.700 0.049 0.000 2.537 2232 S HA 0.307 4.778 4.470 0.001 0.000 0.270 2232 S C -0.461 174.159 174.600 0.032 0.000 1.142 2232 S CA -0.840 57.410 58.200 0.084 0.000 0.870 2232 S CB 1.986 65.276 63.200 0.151 0.000 1.112 2232 S HN 0.130 nan 8.310 nan 0.000 0.466 2233 D N 0.580 120.997 120.400 0.028 0.000 2.702 2233 D HA -0.198 4.443 4.640 0.001 0.000 0.233 2233 D C 1.219 177.513 176.300 -0.011 0.000 1.164 2233 D CA 1.047 55.055 54.000 0.013 0.000 0.638 2233 D CB -1.180 39.631 40.800 0.018 0.000 1.041 2233 D HN 0.877 nan 8.370 nan 0.000 0.422 2234 A N -0.570 122.233 122.820 -0.028 0.000 2.067 2234 A HA -0.098 4.222 4.320 0.001 0.000 0.219 2234 A C 2.288 179.848 177.584 -0.039 0.000 1.158 2234 A CA 1.523 53.522 52.037 -0.064 0.000 0.661 2234 A CB 0.110 19.065 19.000 -0.075 0.000 0.801 2234 A HN 0.281 nan 8.150 nan 0.000 0.452 2235 S N -0.964 114.729 115.700 -0.012 0.000 2.527 2235 S HA -0.023 4.447 4.470 0.001 0.000 0.222 2235 S C 1.718 176.325 174.600 0.012 0.000 0.985 2235 S CA 1.328 59.529 58.200 0.002 0.000 0.921 2235 S CB -0.034 63.176 63.200 0.017 0.000 0.772 2235 S HN 0.896 nan 8.310 nan 0.000 0.529 2236 T N -1.693 112.867 114.554 0.011 0.000 2.958 2236 T HA 0.246 4.597 4.350 0.001 0.000 0.256 2236 T C 0.379 175.087 174.700 0.014 0.000 0.983 2236 T CA -0.312 61.801 62.100 0.022 0.000 0.924 2236 T CB -0.030 68.856 68.868 0.031 0.000 1.136 2236 T HN 0.110 nan 8.240 nan 0.000 0.506 2237 Q N 1.353 121.153 119.800 0.001 0.000 2.300 2237 Q HA 0.348 4.689 4.340 0.001 0.000 0.280 2237 Q C -0.738 175.264 176.000 0.004 0.000 1.033 2237 Q CA -0.392 55.413 55.803 0.002 0.000 0.903 2237 Q CB 1.030 29.773 28.738 0.009 0.000 1.195 2237 Q HN 0.347 nan 8.270 nan 0.000 0.386 2238 L N 5.765 126.987 121.223 -0.003 0.000 2.367 2238 L HA 0.266 4.607 4.340 0.001 0.000 0.275 2238 L C -2.359 174.512 176.870 0.002 0.000 1.129 2238 L CA -1.491 53.344 54.840 -0.009 0.000 0.839 2238 L CB 0.680 42.721 42.059 -0.031 0.000 1.133 2238 L HN 0.390 nan 8.230 nan 0.000 0.453 2239 P HA -0.011 nan 4.420 nan 0.000 0.267 2239 P C 0.894 178.194 177.300 0.001 0.000 1.205 2239 P CA 0.090 63.199 63.100 0.015 0.000 0.765 2239 P CB 0.597 32.300 31.700 0.005 0.000 0.828 2240 L N 2.888 124.117 121.223 0.009 0.000 2.081 2240 L HA -0.245 4.096 4.340 0.001 0.000 0.212 2240 L C 2.034 178.896 176.870 -0.013 0.000 1.080 2240 L CA 2.396 57.230 54.840 -0.009 0.000 0.754 2240 L CB -0.570 41.479 42.059 -0.016 0.000 0.893 2240 L HN 0.452 nan 8.230 nan 0.000 0.433 2241 S N -1.630 114.065 115.700 -0.008 0.000 2.474 2241 S HA -0.223 4.248 4.470 0.001 0.000 0.235 2241 S C 1.616 176.207 174.600 -0.016 0.000 0.997 2241 S CA 0.774 58.969 58.200 -0.008 0.000 0.949 2241 S CB -0.184 63.014 63.200 -0.003 0.000 0.766 2241 S HN 0.560 nan 8.310 nan 0.000 0.517 2242 Q N -0.258 119.523 119.800 -0.031 0.000 2.392 2242 Q HA 0.300 4.641 4.340 0.001 0.000 0.203 2242 Q C 1.704 177.650 176.000 -0.090 0.000 0.917 2242 Q CA -0.025 55.740 55.803 -0.063 0.000 0.939 2242 Q CB -0.069 28.621 28.738 -0.080 0.000 1.063 2242 Q HN 0.449 nan 8.270 nan 0.000 0.516 2243 L N 1.407 122.598 121.223 -0.054 0.000 2.017 2243 L HA -0.208 4.132 4.340 0.001 0.000 0.208 2243 L C 2.159 179.015 176.870 -0.024 0.000 1.073 2243 L CA 1.986 56.798 54.840 -0.047 0.000 0.745 2243 L CB -0.407 41.646 42.059 -0.009 0.000 0.894 2243 L HN 0.211 nan 8.230 nan 0.000 0.432 2244 E N -0.952 119.269 120.200 0.035 0.000 2.058 2244 E HA -0.224 4.127 4.350 0.001 0.000 0.194 2244 E C 2.078 178.718 176.600 0.066 0.000 0.997 2244 E CA 1.282 57.754 56.400 0.121 0.000 0.801 2244 E CB -0.529 29.269 29.700 0.163 0.000 0.746 2244 E HN 0.616 nan 8.360 nan 0.000 0.450 2245 G N 1.240 110.045 108.800 0.007 0.000 2.440 2245 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G C 1.609 176.443 174.900 -0.110 0.000 1.154 2245 G CA 0.986 46.074 45.100 -0.019 0.000 0.767 2245 G HN 0.276 nan 8.290 nan 0.000 0.552 2246 I N 0.377 120.788 120.570 -0.265 0.000 2.252 2246 I HA -0.093 4.077 4.170 0.001 0.000 0.245 2246 I C 2.655 178.683 176.117 -0.149 0.000 1.102 2246 I CA 0.667 61.725 61.300 -0.403 0.000 1.385 2246 I CB -0.179 37.528 38.000 -0.488 0.000 1.064 2246 I HN 0.166 nan 8.210 nan 0.000 0.414 2247 I N 0.632 121.109 120.570 -0.156 0.000 2.179 2247 I HA -0.287 3.884 4.170 0.001 0.000 0.242 2247 I C 2.633 178.587 176.117 -0.270 0.000 1.088 2247 I CA 1.369 62.523 61.300 -0.244 0.000 1.357 2247 I CB -0.338 37.408 38.000 -0.423 0.000 1.051 2247 I HN 0.214 nan 8.210 nan 0.000 0.409 2248 E N 1.589 121.691 120.200 -0.163 0.000 2.077 2248 E HA -0.214 4.137 4.350 0.001 0.000 0.193 2248 E C 2.060 178.685 176.600 0.042 0.000 0.989 2248 E CA 1.800 58.215 56.400 0.025 0.000 0.800 2248 E CB -0.193 29.631 29.700 0.207 0.000 0.746 2248 E HN 0.417 nan 8.360 nan 0.000 0.452 2249 A N 1.157 124.024 122.820 0.078 0.000 1.877 2249 A HA -0.131 4.190 4.320 0.001 0.000 0.216 2249 A C 2.393 180.038 177.584 0.102 0.000 1.186 2249 A CA 1.816 53.947 52.037 0.157 0.000 0.620 2249 A CB -1.020 18.222 19.000 0.405 0.000 0.822 2249 A HN 0.530 nan 8.150 nan 0.000 0.443 2250 I N -2.781 117.834 120.570 0.075 0.000 2.546 2250 I HA -0.108 4.063 4.170 0.001 0.000 0.255 2250 I C 2.034 178.074 176.117 -0.128 0.000 1.163 2250 I CA 1.061 62.366 61.300 0.008 0.000 1.457 2250 I CB -0.404 37.619 38.000 0.039 0.000 1.092 2250 I HN 0.193 nan 8.210 nan 0.000 0.434 2251 L N 1.089 122.225 121.223 -0.145 0.000 2.093 2251 L HA -0.115 4.226 4.340 0.001 0.000 0.208 2251 L C 2.671 179.483 176.870 -0.096 0.000 1.085 2251 L CA 1.491 56.224 54.840 -0.179 0.000 0.755 2251 L CB -0.551 41.441 42.059 -0.112 0.000 0.904 2251 L HN 0.284 nan 8.230 nan 0.000 0.435 2252 E N 0.374 120.553 120.200 -0.034 0.000 2.047 2252 E HA -0.198 4.152 4.350 0.001 0.000 0.191 2252 E C 2.271 178.853 176.600 -0.031 0.000 0.987 2252 E CA 1.173 57.565 56.400 -0.013 0.000 0.799 2252 E CB -0.064 29.647 29.700 0.019 0.000 0.752 2252 E HN 0.453 nan 8.360 nan 0.000 0.449 2253 I N 0.868 121.421 120.570 -0.029 0.000 2.226 2253 I HA -0.271 3.900 4.170 0.001 0.000 0.245 2253 I C 2.747 178.839 176.117 -0.042 0.000 1.100 2253 I CA 1.043 62.326 61.300 -0.028 0.000 1.374 2253 I CB -0.255 37.733 38.000 -0.018 0.000 1.057 2253 I HN 0.040 nan 8.210 nan 0.000 0.413 2254 R N 1.064 121.519 120.500 -0.076 0.000 2.081 2254 R HA -0.226 4.114 4.340 0.001 0.000 0.235 2254 R C 2.347 178.566 176.300 -0.135 0.000 1.131 2254 R CA 1.591 57.640 56.100 -0.084 0.000 0.960 2254 R CB -0.267 29.897 30.300 -0.225 0.000 0.856 2254 R HN 0.260 nan 8.270 nan 0.000 0.436 2255 E N 0.372 120.502 120.200 -0.117 0.000 2.058 2255 E HA -0.161 4.189 4.350 0.001 0.000 0.194 2255 E C 1.856 178.381 176.600 -0.124 0.000 0.997 2255 E CA 1.817 58.152 56.400 -0.109 0.000 0.801 2255 E CB -0.007 29.654 29.700 -0.065 0.000 0.746 2255 E HN 0.296 nan 8.360 nan 0.000 0.450 2256 V N 0.920 120.781 119.914 -0.088 0.000 2.346 2256 V HA -0.131 3.990 4.120 0.001 0.000 0.244 2256 V C 2.541 178.597 176.094 -0.063 0.000 1.037 2256 V CA 1.619 63.882 62.300 -0.061 0.000 1.029 2256 V CB -0.763 31.052 31.823 -0.012 0.000 0.663 2256 V HN 0.329 nan 8.190 nan 0.000 0.454 2257 A N 0.872 123.651 122.820 -0.069 0.000 2.014 2257 A HA -0.146 4.174 4.320 0.001 0.000 0.218 2257 A C 2.487 179.809 177.584 -0.436 0.000 1.163 2257 A CA 1.698 53.715 52.037 -0.034 0.000 0.652 2257 A CB -0.683 18.358 19.000 0.068 0.000 0.808 2257 A HN 0.668 nan 8.150 nan 0.000 0.449 2258 S N 0.457 115.657 115.700 -0.833 0.000 2.420 2258 S HA -0.270 4.200 4.470 0.001 0.000 0.237 2258 S C 1.828 175.938 174.600 -0.816 0.000 1.023 2258 S CA 1.672 58.985 58.200 -1.479 0.000 0.991 2258 S CB -0.460 62.293 63.200 -0.744 0.000 0.792 2258 S HN 0.671 nan 8.310 nan 0.000 0.488 2259 K N 0.432 120.483 120.400 -0.582 0.000 2.211 2259 K HA -0.126 4.195 4.320 0.001 0.000 0.204 2259 K C 0.891 177.098 176.600 -0.654 0.000 1.047 2259 K CA 1.378 57.296 56.287 -0.615 0.000 0.935 2259 K CB -0.228 31.799 32.500 -0.788 0.000 0.728 2259 K HN 0.647 nan 8.250 nan 0.000 0.452 2260 Y N -0.844 119.348 120.300 -0.179 0.000 2.458 2260 Y HA 0.129 4.680 4.550 0.001 0.000 0.256 2260 Y C -0.237 175.713 175.900 0.082 0.000 1.159 2260 Y CA -0.981 57.092 58.100 -0.045 0.000 1.261 2260 Y CB 0.209 38.653 38.460 -0.026 0.000 1.119 2260 Y HN -0.137 nan 8.280 nan 0.000 0.524 2261 Y N 2.369 122.711 120.300 0.069 0.000 2.721 2261 Y HA 0.040 4.590 4.550 0.001 0.000 0.329 2261 Y C 0.690 176.607 175.900 0.029 0.000 1.211 2261 Y CA -0.918 57.208 58.100 0.043 0.000 1.512 2261 Y CB -0.228 38.244 38.460 0.020 0.000 1.249 2261 Y HN 0.138 nan 8.280 nan 0.000 0.549 2262 E N 1.050 121.357 120.200 0.178 0.000 2.398 2262 E HA 0.142 4.492 4.350 0.001 0.000 0.263 2262 E C 0.378 177.017 176.600 0.066 0.000 1.046 2262 E CA 0.037 56.494 56.400 0.095 0.000 0.908 2262 E CB 0.399 30.133 29.700 0.058 0.000 0.963 2262 E HN 0.517 nan 8.360 nan 0.000 0.431 2263 T N 0.000 114.581 114.554 0.044 0.000 3.816 2263 T HA 0.000 4.351 4.350 0.001 0.000 0.228 2263 T CA 0.000 62.116 62.100 0.027 0.000 1.349 2263 T CB 0.000 68.880 68.868 0.021 0.000 0.612 2263 T HN 0.000 nan 8.240 nan 0.000 0.658