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 2po3_1_B DATA FIRST_RESID 2004 DATA SEQUENCE ALSDLAFFGG PAAFDQPLLV GRPNRIDRAR LYERLDRALD SQWLSNGGPL DATA SEQUENCE VREFEERVAG LAGVRHAVAT CNATAGLQLL AHAAGLTGEV IMPSMTFAAT DATA SEQUENCE PHALRWIGLT PVFADIDPDT GNLDPDQVAA AVTPRTSAVV GVHLWGRPCA DATA SEQUENCE ADQLRKVADE HGLRLYFDAA HALGCAVDGR PAGSLGDAEV FSFHATKAVN DATA SEQUENCE AFEGGAVVTD DADLAARIRA LHNFGFDLPG GSPAGGTNAK MSEAAAAMGL DATA SEQUENCE TSLDAFPEVI DRNRRNHAAY REHLADLPGV LVADHDRHGL NNHQYVIVEI DATA SEQUENCE DEATTGIHRD LVMEVLKAEG VHTRAYFSPG CHELEPYRGQ PHAPLPHTER DATA SEQUENCE LAARVLSLPT GTAIGDDDIR RVADLLRLCA TRGRELTARH RD 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 2004 A HA 0.000 nan 4.320 nan 0.000 0.244 2004 A C 0.000 177.641 177.584 0.094 0.000 1.274 2004 A CA 0.000 52.070 52.037 0.055 0.000 0.836 2004 A CB 0.000 19.025 19.000 0.042 0.000 0.831 2005 L N 1.094 122.384 121.223 0.111 0.000 2.179 2005 L HA -0.068 4.270 4.340 -0.002 0.000 0.208 2005 L C 2.370 179.423 176.870 0.305 0.000 1.096 2005 L CA 1.572 56.555 54.840 0.238 0.000 0.779 2005 L CB -0.312 41.875 42.059 0.213 0.000 0.922 2005 L HN 0.853 nan 8.230 nan 0.000 0.443 2006 S N 0.029 115.806 115.700 0.128 0.000 2.440 2006 S HA -0.189 4.279 4.470 -0.002 0.000 0.240 2006 S C 1.198 175.891 174.600 0.156 0.000 1.014 2006 S CA 1.480 59.743 58.200 0.104 0.000 0.980 2006 S CB -0.354 62.866 63.200 0.033 0.000 0.775 2006 S HN 0.476 nan 8.310 nan 0.000 0.499 2007 D N 1.312 121.803 120.400 0.153 0.000 2.183 2007 D HA 0.148 4.787 4.640 -0.002 0.000 0.205 2007 D C 0.525 176.915 176.300 0.150 0.000 0.962 2007 D CA 0.089 54.165 54.000 0.128 0.000 0.849 2007 D CB -0.471 40.387 40.800 0.097 0.000 0.978 2007 D HN 0.332 nan 8.370 nan 0.000 0.488 2008 L N 1.456 122.797 121.223 0.197 0.000 2.667 2008 L HA -0.045 4.294 4.340 -0.002 0.000 0.278 2008 L C 1.658 178.615 176.870 0.145 0.000 1.217 2008 L CA -0.449 54.483 54.840 0.152 0.000 0.935 2008 L CB 0.407 42.550 42.059 0.139 0.000 1.193 2008 L HN -0.021 nan 8.230 nan 0.000 0.493 2009 A N 4.215 127.093 122.820 0.095 0.000 2.139 2009 A HA -0.249 4.069 4.320 -0.002 0.000 0.221 2009 A C 1.864 179.486 177.584 0.064 0.000 1.159 2009 A CA 1.461 53.545 52.037 0.077 0.000 0.662 2009 A CB -0.649 18.386 19.000 0.058 0.000 0.796 2009 A HN 0.826 nan 8.150 nan 0.000 0.463 2010 F N -1.802 118.062 119.950 -0.142 0.000 2.661 2010 F HA 0.217 4.743 4.527 -0.002 0.000 0.298 2010 F C 0.790 176.413 175.800 -0.295 0.000 1.137 2010 F CA 0.462 58.296 58.000 -0.276 0.000 1.454 2010 F CB 0.097 38.811 39.000 -0.478 0.000 1.103 2010 F HN 0.190 nan 8.300 nan 0.000 0.577 2011 F N -0.446 119.568 119.950 0.107 0.000 2.850 2011 F HA 0.323 4.848 4.527 -0.002 0.000 0.329 2011 F C 1.440 177.246 175.800 0.011 0.000 1.182 2011 F CA 0.108 58.139 58.000 0.051 0.000 1.270 2011 F CB 0.623 39.700 39.000 0.128 0.000 0.979 2011 F HN 0.084 nan 8.300 nan 0.000 0.506 2012 G N 0.324 109.204 108.800 0.132 0.000 2.363 2012 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.238 2012 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.238 2012 G C 0.933 175.881 174.900 0.079 0.000 1.062 2012 G CA -0.221 44.925 45.100 0.076 0.000 0.629 2012 G HN 0.713 nan 8.290 nan 0.000 0.514 2013 G N 1.700 110.571 108.800 0.117 0.000 2.670 2013 G HA2 0.382 4.341 3.960 -0.002 0.000 0.233 2013 G HA3 0.382 4.341 3.960 -0.002 0.000 0.233 2013 G C -1.645 173.299 174.900 0.074 0.000 1.251 2013 G CA 0.410 45.569 45.100 0.098 0.000 0.849 2013 G HN 0.452 nan 8.290 nan 0.000 0.588 2014 P HA 0.282 nan 4.420 nan 0.000 0.267 2014 P C 0.160 177.503 177.300 0.072 0.000 1.205 2014 P CA -0.031 63.104 63.100 0.059 0.000 0.765 2014 P CB 0.650 32.380 31.700 0.050 0.000 0.828 2015 A N 3.815 126.676 122.820 0.068 0.000 2.567 2015 A HA 0.249 4.568 4.320 -0.002 0.000 0.240 2015 A C 1.696 179.354 177.584 0.123 0.000 1.053 2015 A CA 0.534 52.618 52.037 0.079 0.000 0.755 2015 A CB -0.387 18.655 19.000 0.071 0.000 0.978 2015 A HN 0.630 nan 8.150 nan 0.000 0.507 2016 A N 3.493 126.400 122.820 0.144 0.000 1.841 2016 A HA 0.272 4.590 4.320 -0.002 0.000 0.216 2016 A C 0.583 178.499 177.584 0.553 0.000 1.199 2016 A CA 1.211 53.411 52.037 0.272 0.000 0.621 2016 A CB -0.399 18.689 19.000 0.148 0.000 0.835 2016 A HN 0.739 nan 8.150 nan 0.000 0.445 2017 F N -0.990 118.962 119.950 0.003 0.000 2.618 2017 F HA 0.353 4.879 4.527 -0.003 0.000 0.332 2017 F C 0.986 176.798 175.800 0.019 0.000 1.061 2017 F CA -1.687 56.319 58.000 0.009 0.000 0.974 2017 F CB 0.844 39.847 39.000 0.005 0.000 1.310 2017 F HN 0.354 nan 8.300 nan 0.000 0.491 2018 D N -0.797 119.730 120.400 0.212 0.000 2.216 2018 D HA -0.102 4.536 4.640 -0.002 0.000 0.208 2018 D C 0.606 176.984 176.300 0.129 0.000 0.960 2018 D CA 0.283 54.359 54.000 0.127 0.000 0.861 2018 D CB 0.050 40.892 40.800 0.071 0.000 0.985 2018 D HN 0.489 nan 8.370 nan 0.000 0.493 2019 Q N 2.544 122.432 119.800 0.148 0.000 2.325 2019 Q HA 0.122 4.461 4.340 -0.002 0.000 0.256 2019 Q C -2.326 173.754 176.000 0.132 0.000 1.142 2019 Q CA -1.722 54.156 55.803 0.124 0.000 0.902 2019 Q CB 0.667 29.479 28.738 0.123 0.000 1.350 2019 Q HN -0.042 nan 8.270 nan 0.000 0.449 2020 P HA 0.064 nan 4.420 nan 0.000 0.268 2020 P C -0.910 176.479 177.300 0.148 0.000 1.205 2020 P CA 0.256 63.466 63.100 0.184 0.000 0.771 2020 P CB 0.603 32.420 31.700 0.195 0.000 0.858 2021 L N 3.052 124.385 121.223 0.182 0.000 2.322 2021 L HA 0.499 4.838 4.340 -0.002 0.000 0.281 2021 L C 0.021 176.996 176.870 0.176 0.000 1.014 2021 L CA -0.626 54.292 54.840 0.130 0.000 0.815 2021 L CB 1.161 43.267 42.059 0.078 0.000 1.247 2021 L HN 0.168 nan 8.230 nan 0.000 0.421 2022 L N 3.764 125.049 121.223 0.103 0.000 2.343 2022 L HA 0.443 4.781 4.340 -0.002 0.000 0.278 2022 L C -0.312 176.607 176.870 0.083 0.000 0.996 2022 L CA -0.848 54.041 54.840 0.082 0.000 0.831 2022 L CB 2.217 44.287 42.059 0.018 0.000 1.232 2022 L HN 0.275 nan 8.230 nan 0.000 0.413 2023 V N 3.269 123.240 119.914 0.095 0.000 2.599 2023 V HA 0.199 4.317 4.120 -0.002 0.000 0.300 2023 V C 1.221 177.387 176.094 0.120 0.000 1.034 2023 V CA 1.685 64.047 62.300 0.104 0.000 1.115 2023 V CB 0.837 32.720 31.823 0.100 0.000 0.934 2023 V HN 1.118 nan 8.190 nan 0.000 0.485 2024 G N 4.188 113.053 108.800 0.108 0.000 2.176 2024 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.232 2024 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.232 2024 G C 0.438 175.381 174.900 0.073 0.000 0.986 2024 G CA 0.169 45.331 45.100 0.104 0.000 0.643 2024 G HN 0.671 nan 8.290 nan 0.000 0.522 2025 R N 1.653 122.187 120.500 0.057 0.000 2.484 2025 R HA 0.371 4.710 4.340 -0.002 0.000 0.293 2025 R C -1.971 174.347 176.300 0.030 0.000 1.023 2025 R CA -0.889 55.236 56.100 0.041 0.000 1.037 2025 R CB 0.363 30.686 30.300 0.037 0.000 0.951 2025 R HN 0.119 nan 8.270 nan 0.000 0.418 2026 P HA 0.059 nan 4.420 nan 0.000 0.276 2026 P C -1.094 176.208 177.300 0.003 0.000 1.230 2026 P CA -0.248 62.854 63.100 0.003 0.000 0.776 2026 P CB 0.538 32.230 31.700 -0.014 0.000 0.888 2027 N N 3.013 121.712 118.700 -0.001 0.000 2.492 2027 N HA 0.065 4.803 4.740 -0.002 0.000 0.262 2027 N C 0.727 176.232 175.510 -0.007 0.000 1.202 2027 N CA 0.134 53.188 53.050 0.006 0.000 0.926 2027 N CB 0.441 38.937 38.487 0.015 0.000 1.078 2027 N HN 0.252 nan 8.380 nan 0.000 0.454 2028 R N 1.170 121.670 120.500 0.000 0.000 2.827 2028 R HA 0.231 4.570 4.340 -0.002 0.000 0.269 2028 R C 0.338 176.626 176.300 -0.019 0.000 1.048 2028 R CA 0.078 56.174 56.100 -0.006 0.000 1.173 2028 R CB 0.177 30.480 30.300 0.005 0.000 1.070 2028 R HN 0.565 nan 8.270 nan 0.000 0.498 2029 I N -2.879 117.672 120.570 -0.032 0.000 3.264 2029 I HA 0.255 4.423 4.170 -0.002 0.000 0.315 2029 I C -0.447 175.647 176.117 -0.039 0.000 1.154 2029 I CA -1.025 60.247 61.300 -0.046 0.000 0.962 2029 I CB 1.169 39.117 38.000 -0.088 0.000 1.265 2029 I HN 0.211 nan 8.210 nan 0.000 0.463 2030 D N 1.571 121.946 120.400 -0.042 0.000 2.416 2030 D HA 0.182 4.821 4.640 -0.002 0.000 0.240 2030 D C 0.961 177.229 176.300 -0.054 0.000 1.250 2030 D CA 0.170 54.153 54.000 -0.029 0.000 0.967 2030 D CB 0.595 41.383 40.800 -0.021 0.000 1.059 2030 D HN 0.509 nan 8.370 nan 0.000 0.512 2031 R N 2.299 122.774 120.500 -0.042 0.000 2.127 2031 R HA -0.167 4.172 4.340 -0.002 0.000 0.238 2031 R C 1.974 178.273 176.300 -0.003 0.000 1.134 2031 R CA 1.394 57.441 56.100 -0.089 0.000 0.975 2031 R CB -0.012 30.315 30.300 0.046 0.000 0.865 2031 R HN 0.416 nan 8.270 nan 0.000 0.447 2032 A N 1.307 124.171 122.820 0.073 0.000 1.858 2032 A HA -0.184 4.134 4.320 -0.002 0.000 0.216 2032 A C 2.100 179.722 177.584 0.063 0.000 1.190 2032 A CA 1.290 53.394 52.037 0.111 0.000 0.617 2032 A CB -0.388 18.656 19.000 0.073 0.000 0.827 2032 A HN 0.214 nan 8.150 nan 0.000 0.443 2033 R N -1.138 119.367 120.500 0.009 0.000 2.120 2033 R HA -0.114 4.225 4.340 -0.002 0.000 0.234 2033 R C 2.107 178.384 176.300 -0.039 0.000 1.123 2033 R CA 1.361 57.455 56.100 -0.010 0.000 0.975 2033 R CB -0.501 29.785 30.300 -0.025 0.000 0.866 2033 R HN 0.534 nan 8.270 nan 0.000 0.446 2034 L N -0.397 120.760 121.223 -0.111 0.000 2.005 2034 L HA -0.171 4.168 4.340 -0.002 0.000 0.207 2034 L C 1.684 178.472 176.870 -0.136 0.000 1.072 2034 L CA 1.806 56.525 54.840 -0.202 0.000 0.744 2034 L CB -0.618 41.205 42.059 -0.394 0.000 0.895 2034 L HN 0.061 nan 8.230 nan 0.000 0.433 2035 Y N 0.721 121.032 120.300 0.018 0.000 2.333 2035 Y HA -0.153 4.395 4.550 -0.003 0.000 0.290 2035 Y C 2.525 178.432 175.900 0.012 0.000 1.144 2035 Y CA 1.323 59.434 58.100 0.018 0.000 1.228 2035 Y CB -0.651 37.819 38.460 0.018 0.000 0.985 2035 Y HN 0.416 nan 8.280 nan 0.000 0.542 2036 E N -0.165 120.121 120.200 0.143 0.000 2.047 2036 E HA -0.198 4.151 4.350 -0.002 0.000 0.191 2036 E C 2.269 178.906 176.600 0.063 0.000 0.987 2036 E CA 1.003 57.455 56.400 0.087 0.000 0.799 2036 E CB -0.207 29.525 29.700 0.052 0.000 0.752 2036 E HN 0.451 nan 8.360 nan 0.000 0.449 2037 R N 0.757 121.279 120.500 0.036 0.000 2.097 2037 R HA -0.143 4.195 4.340 -0.002 0.000 0.236 2037 R C 2.602 178.923 176.300 0.035 0.000 1.135 2037 R CA 1.267 57.376 56.100 0.014 0.000 0.934 2037 R CB -0.546 29.742 30.300 -0.021 0.000 0.846 2037 R HN 0.173 nan 8.270 nan 0.000 0.431 2038 L N 0.751 122.013 121.223 0.066 0.000 2.043 2038 L HA -0.266 4.072 4.340 -0.002 0.000 0.212 2038 L C 2.018 178.939 176.870 0.086 0.000 1.075 2038 L CA 1.366 56.261 54.840 0.091 0.000 0.752 2038 L CB -0.659 41.504 42.059 0.173 0.000 0.891 2038 L HN 0.265 nan 8.230 nan 0.000 0.432 2039 D N -0.314 120.142 120.400 0.095 0.000 2.104 2039 D HA -0.221 4.417 4.640 -0.002 0.000 0.194 2039 D C 2.220 178.553 176.300 0.056 0.000 0.994 2039 D CA 1.226 55.268 54.000 0.070 0.000 0.830 2039 D CB -0.147 40.693 40.800 0.065 0.000 0.959 2039 D HN 0.245 nan 8.370 nan 0.000 0.452 2040 R N 0.714 121.244 120.500 0.050 0.000 2.096 2040 R HA -0.099 4.240 4.340 -0.002 0.000 0.235 2040 R C 2.012 178.343 176.300 0.052 0.000 1.127 2040 R CA 1.563 57.688 56.100 0.043 0.000 0.968 2040 R CB -0.165 30.153 30.300 0.030 0.000 0.861 2040 R HN 0.088 nan 8.270 nan 0.000 0.440 2041 A N 1.367 124.216 122.820 0.048 0.000 1.898 2041 A HA -0.055 4.263 4.320 -0.002 0.000 0.216 2041 A C 2.259 179.894 177.584 0.087 0.000 1.181 2041 A CA 1.027 53.101 52.037 0.061 0.000 0.620 2041 A CB -0.422 18.603 19.000 0.042 0.000 0.819 2041 A HN 0.338 nan 8.150 nan 0.000 0.442 2042 L N -0.515 120.750 121.223 0.071 0.000 2.017 2042 L HA -0.193 4.145 4.340 -0.002 0.000 0.208 2042 L C 2.184 179.094 176.870 0.067 0.000 1.073 2042 L CA 1.478 56.358 54.840 0.067 0.000 0.745 2042 L CB -0.755 41.336 42.059 0.053 0.000 0.894 2042 L HN 0.273 nan 8.230 nan 0.000 0.432 2043 D N -0.120 120.316 120.400 0.061 0.000 2.116 2043 D HA -0.193 4.445 4.640 -0.002 0.000 0.193 2043 D C 2.398 178.740 176.300 0.070 0.000 0.998 2043 D CA 1.858 55.892 54.000 0.056 0.000 0.836 2043 D CB -0.209 40.620 40.800 0.049 0.000 0.951 2043 D HN 0.335 nan 8.370 nan 0.000 0.449 2044 S N -0.400 115.358 115.700 0.096 0.000 2.423 2044 S HA -0.173 4.296 4.470 -0.002 0.000 0.231 2044 S C 0.956 175.640 174.600 0.140 0.000 1.014 2044 S CA 0.963 59.242 58.200 0.131 0.000 0.965 2044 S CB -0.172 63.138 63.200 0.182 0.000 0.785 2044 S HN 0.360 nan 8.310 nan 0.000 0.495 2045 Q N -1.512 118.367 119.800 0.133 0.000 2.493 2045 Q HA -0.145 4.193 4.340 -0.002 0.000 0.260 2045 Q C -1.113 174.988 176.000 0.169 0.000 0.905 2045 Q CA 0.928 56.798 55.803 0.112 0.000 1.140 2045 Q CB -1.930 26.842 28.738 0.056 0.000 1.435 2045 Q HN 0.804 nan 8.270 nan 0.000 0.581 2046 W N 1.248 122.562 121.300 0.023 0.000 2.322 2046 W HA 0.458 5.117 4.660 -0.001 0.000 0.321 2046 W C -0.167 176.368 176.519 0.027 0.000 0.991 2046 W CA -0.808 56.553 57.345 0.027 0.000 1.448 2046 W CB -0.047 29.430 29.460 0.028 0.000 1.239 2046 W HN 0.206 nan 8.180 nan 0.000 0.399 2047 L N 3.866 125.339 121.223 0.418 0.000 2.590 2047 L HA 0.182 4.521 4.340 -0.002 0.000 0.227 2047 L C 1.049 178.033 176.870 0.190 0.000 1.099 2047 L CA 0.425 55.401 54.840 0.226 0.000 0.872 2047 L CB 0.108 42.256 42.059 0.149 0.000 1.088 2047 L HN 0.277 nan 8.230 nan 0.000 0.479 2048 S N -1.345 114.538 115.700 0.305 0.000 2.755 2048 S HA 0.346 4.815 4.470 -0.002 0.000 0.286 2048 S C -1.216 173.598 174.600 0.358 0.000 1.207 2048 S CA -0.551 57.777 58.200 0.213 0.000 0.892 2048 S CB 0.734 64.020 63.200 0.145 0.000 1.240 2048 S HN 0.239 nan 8.310 nan 0.000 0.525 2049 N N 0.895 119.745 118.700 0.250 0.000 2.746 2049 N HA -0.106 4.633 4.740 -0.002 0.000 0.250 2049 N C 0.172 175.924 175.510 0.403 0.000 1.055 2049 N CA 1.775 55.008 53.050 0.305 0.000 0.699 2049 N CB -1.782 36.886 38.487 0.302 0.000 0.919 2049 N HN 1.737 nan 8.380 nan 0.000 0.548 2050 G N -1.672 107.270 108.800 0.237 0.000 2.298 2050 G HA2 -0.059 3.899 3.960 -0.002 0.000 0.287 2050 G HA3 -0.059 3.899 3.960 -0.002 0.000 0.287 2050 G C 0.751 175.589 174.900 -0.103 0.000 1.075 2050 G CA 0.670 45.861 45.100 0.151 0.000 0.960 2050 G HN 0.932 nan 8.290 nan 0.000 0.502 2051 G N -0.238 108.301 108.800 -0.434 0.000 2.653 2051 G HA2 0.573 4.532 3.960 -0.002 0.000 0.265 2051 G HA3 0.573 4.532 3.960 -0.002 0.000 0.265 2051 G C -0.275 174.178 174.900 -0.744 0.000 1.237 2051 G CA -0.181 44.154 45.100 -1.276 0.000 0.946 2051 G HN 0.156 nan 8.290 nan 0.000 0.522 2052 P HA -0.059 nan 4.420 nan 0.000 0.217 2052 P C 2.154 179.328 177.300 -0.211 0.000 1.151 2052 P CA 0.841 63.722 63.100 -0.365 0.000 0.828 2052 P CB 0.107 31.644 31.700 -0.271 0.000 0.788 2053 L N -0.943 120.156 121.223 -0.206 0.000 2.046 2053 L HA -0.128 4.210 4.340 -0.002 0.000 0.208 2053 L C 2.551 179.371 176.870 -0.083 0.000 1.077 2053 L CA 1.388 56.154 54.840 -0.122 0.000 0.747 2053 L CB -1.337 40.646 42.059 -0.126 0.000 0.896 2053 L HN -0.144 nan 8.230 nan 0.000 0.432 2054 V N -0.189 119.655 119.914 -0.118 0.000 2.332 2054 V HA -0.260 3.858 4.120 -0.002 0.000 0.248 2054 V C 2.772 178.892 176.094 0.043 0.000 1.055 2054 V CA 1.563 63.842 62.300 -0.035 0.000 1.038 2054 V CB -0.587 31.214 31.823 -0.036 0.000 0.651 2054 V HN 0.414 nan 8.190 nan 0.000 0.450 2055 R N 0.101 120.583 120.500 -0.031 0.000 2.081 2055 R HA -0.163 4.175 4.340 -0.002 0.000 0.235 2055 R C 2.223 178.531 176.300 0.013 0.000 1.131 2055 R CA 1.763 57.859 56.100 -0.006 0.000 0.960 2055 R CB -0.858 29.414 30.300 -0.047 0.000 0.856 2055 R HN 0.786 nan 8.270 nan 0.000 0.436 2056 E N -0.262 119.939 120.200 0.003 0.000 2.077 2056 E HA -0.192 4.157 4.350 -0.002 0.000 0.193 2056 E C 1.748 178.367 176.600 0.031 0.000 0.989 2056 E CA 0.859 57.263 56.400 0.006 0.000 0.800 2056 E CB -0.252 29.445 29.700 -0.004 0.000 0.746 2056 E HN 0.221 nan 8.360 nan 0.000 0.452 2057 F N 1.948 121.831 119.950 -0.111 0.000 2.095 2057 F HA -0.143 4.382 4.527 -0.003 0.000 0.298 2057 F C 2.018 177.748 175.800 -0.117 0.000 1.104 2057 F CA 2.063 59.975 58.000 -0.146 0.000 1.232 2057 F CB -0.244 38.651 39.000 -0.174 0.000 0.987 2057 F HN 0.045 nan 8.300 nan 0.000 0.475 2058 E N -0.244 119.962 120.200 0.010 0.000 2.118 2058 E HA -0.279 4.070 4.350 -0.002 0.000 0.195 2058 E C 2.253 178.780 176.600 -0.122 0.000 0.992 2058 E CA 1.400 57.759 56.400 -0.068 0.000 0.804 2058 E CB -0.337 29.396 29.700 0.055 0.000 0.741 2058 E HN 0.554 nan 8.360 nan 0.000 0.458 2059 E N 0.852 121.002 120.200 -0.083 0.000 2.072 2059 E HA -0.206 4.143 4.350 -0.002 0.000 0.191 2059 E C 2.070 178.594 176.600 -0.127 0.000 0.985 2059 E CA 0.894 57.247 56.400 -0.079 0.000 0.801 2059 E CB 0.129 29.803 29.700 -0.044 0.000 0.750 2059 E HN 0.175 nan 8.360 nan 0.000 0.452 2060 R N 0.052 120.446 120.500 -0.177 0.000 2.066 2060 R HA -0.098 4.240 4.340 -0.002 0.000 0.232 2060 R C 2.566 178.702 176.300 -0.274 0.000 1.131 2060 R CA 1.373 57.352 56.100 -0.203 0.000 0.955 2060 R CB -0.437 29.742 30.300 -0.201 0.000 0.851 2060 R HN 0.085 nan 8.270 nan 0.000 0.432 2061 V N 1.397 121.036 119.914 -0.458 0.000 2.287 2061 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 2061 V C 2.516 178.471 176.094 -0.231 0.000 1.053 2061 V CA 2.076 64.109 62.300 -0.446 0.000 1.027 2061 V CB -0.807 30.646 31.823 -0.616 0.000 0.646 2061 V HN 0.444 nan 8.190 nan 0.000 0.447 2062 A N 0.396 123.128 122.820 -0.147 0.000 1.908 2062 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 2062 A C 2.426 179.972 177.584 -0.062 0.000 1.181 2062 A CA 2.027 54.030 52.037 -0.058 0.000 0.627 2062 A CB -1.253 17.721 19.000 -0.043 0.000 0.818 2062 A HN 0.550 nan 8.150 nan 0.000 0.445 2063 G N -0.312 108.436 108.800 -0.086 0.000 2.418 2063 G HA2 -0.175 3.783 3.960 -0.002 0.000 0.217 2063 G HA3 -0.175 3.783 3.960 -0.002 0.000 0.217 2063 G C 1.536 176.402 174.900 -0.057 0.000 1.158 2063 G CA 1.015 46.075 45.100 -0.066 0.000 0.771 2063 G HN 0.438 nan 8.290 nan 0.000 0.545 2064 L N 0.485 121.657 121.223 -0.084 0.000 2.201 2064 L HA 0.005 4.344 4.340 -0.002 0.000 0.212 2064 L C 3.202 180.043 176.870 -0.048 0.000 1.105 2064 L CA 0.851 55.649 54.840 -0.070 0.000 0.775 2064 L CB -0.147 41.850 42.059 -0.103 0.000 0.913 2064 L HN 0.330 nan 8.230 nan 0.000 0.440 2065 A N -0.778 122.018 122.820 -0.039 0.000 2.123 2065 A HA 0.225 4.544 4.320 -0.002 0.000 0.214 2065 A C 1.694 179.329 177.584 0.085 0.000 1.152 2065 A CA 0.797 52.887 52.037 0.088 0.000 0.728 2065 A CB -0.292 18.832 19.000 0.206 0.000 0.814 2065 A HN 0.486 nan 8.150 nan 0.000 0.464 2066 G N -1.069 107.749 108.800 0.030 0.000 2.149 2066 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.235 2066 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.235 2066 G C 0.218 175.130 174.900 0.020 0.000 1.018 2066 G CA 0.705 45.817 45.100 0.020 0.000 0.728 2066 G HN 1.828 nan 8.290 nan 0.000 0.508 2067 V N -4.534 115.389 119.914 0.016 0.000 3.141 2067 V HA 0.792 4.910 4.120 -0.002 0.000 0.312 2067 V C 1.219 177.265 176.094 -0.080 0.000 1.157 2067 V CA -0.577 61.720 62.300 -0.005 0.000 1.041 2067 V CB 1.494 33.348 31.823 0.052 0.000 1.071 2067 V HN 0.085 nan 8.190 nan 0.000 0.441 2068 R N -0.741 119.641 120.500 -0.197 0.000 2.093 2068 R HA 0.220 4.558 4.340 -0.002 0.000 0.224 2068 R C 0.203 176.228 176.300 -0.459 0.000 1.101 2068 R CA 0.858 56.712 56.100 -0.409 0.000 0.979 2068 R CB -0.083 29.764 30.300 -0.755 0.000 0.877 2068 R HN 0.807 nan 8.270 nan 0.000 0.441 2069 H N -1.029 118.060 119.070 0.032 0.000 2.622 2069 H HA 0.666 5.221 4.556 -0.001 0.000 0.363 2069 H C -0.959 174.393 175.328 0.040 0.000 1.151 2069 H CA -0.952 55.114 56.048 0.029 0.000 1.184 2069 H CB 2.101 31.880 29.762 0.029 0.000 1.643 2069 H HN 0.094 nan 8.280 nan 0.000 0.531 2070 A N 1.851 124.766 122.820 0.158 0.000 2.459 2070 A HA 0.511 4.830 4.320 -0.002 0.000 0.296 2070 A C -1.133 176.506 177.584 0.091 0.000 1.039 2070 A CA -0.628 51.479 52.037 0.118 0.000 0.698 2070 A CB 1.416 20.458 19.000 0.071 0.000 1.261 2070 A HN 0.362 nan 8.150 nan 0.000 0.405 2071 V N 2.081 122.042 119.914 0.077 0.000 2.334 2071 V HA 0.620 4.739 4.120 -0.002 0.000 0.281 2071 V C 0.697 176.851 176.094 0.100 0.000 1.016 2071 V CA -0.323 61.983 62.300 0.010 0.000 0.832 2071 V CB 1.088 32.837 31.823 -0.123 0.000 0.999 2071 V HN 1.261 nan 8.190 nan 0.000 0.439 2072 A N 4.367 127.287 122.820 0.166 0.000 2.409 2072 A HA 0.714 5.032 4.320 -0.002 0.000 0.262 2072 A C 0.603 178.345 177.584 0.264 0.000 1.113 2072 A CA 0.109 52.318 52.037 0.286 0.000 0.790 2072 A CB 0.315 19.522 19.000 0.345 0.000 1.046 2072 A HN 0.972 nan 8.150 nan 0.000 0.496 2073 T N -1.589 113.127 114.554 0.271 0.000 2.888 2073 T HA 0.361 4.710 4.350 -0.002 0.000 0.288 2073 T C 1.162 175.969 174.700 0.178 0.000 1.063 2073 T CA -0.050 62.191 62.100 0.236 0.000 1.010 2073 T CB 0.617 69.600 68.868 0.193 0.000 1.214 2073 T HN 1.301 nan 8.240 nan 0.000 0.533 2074 C N 0.278 119.654 119.300 0.127 0.000 2.432 2074 C HA 0.246 4.704 4.460 -0.002 0.000 0.282 2074 C C 0.693 175.750 174.990 0.113 0.000 1.388 2074 C CA 0.197 59.273 59.018 0.095 0.000 1.777 2074 C CB -2.278 25.495 27.740 0.056 0.000 1.882 2074 C HN 1.114 nan 8.230 nan 0.000 0.520 2075 N N -2.062 116.710 118.700 0.120 0.000 3.348 2075 N HA 0.461 5.199 4.740 -0.002 0.000 0.233 2075 N C -0.051 175.513 175.510 0.090 0.000 1.440 2075 N CA -0.051 53.069 53.050 0.116 0.000 0.887 2075 N CB 0.725 39.272 38.487 0.100 0.000 1.410 2075 N HN 0.049 nan 8.380 nan 0.000 0.502 2076 A N -0.224 122.631 122.820 0.060 0.000 1.929 2076 A HA 0.000 4.319 4.320 -0.002 0.000 0.216 2076 A C 1.697 179.283 177.584 0.002 0.000 1.176 2076 A CA 2.062 54.107 52.037 0.014 0.000 0.628 2076 A CB -1.365 17.616 19.000 -0.033 0.000 0.816 2076 A HN 0.750 nan 8.150 nan 0.000 0.444 2077 T N 0.693 115.254 114.554 0.012 0.000 2.635 2077 T HA -0.150 4.199 4.350 -0.002 0.000 0.267 2077 T C 2.204 176.895 174.700 -0.015 0.000 1.040 2077 T CA 1.929 64.024 62.100 -0.009 0.000 1.156 2077 T CB -0.528 68.330 68.868 -0.018 0.000 0.863 2077 T HN 0.602 nan 8.240 nan 0.000 0.430 2078 A N 1.314 124.136 122.820 0.003 0.000 1.972 2078 A HA 0.131 4.449 4.320 -0.002 0.000 0.219 2078 A C 2.620 180.217 177.584 0.021 0.000 1.169 2078 A CA 1.841 53.889 52.037 0.019 0.000 0.635 2078 A CB -1.389 17.633 19.000 0.037 0.000 0.810 2078 A HN 0.525 nan 8.150 nan 0.000 0.446 2079 G N 0.233 109.045 108.800 0.021 0.000 2.491 2079 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.218 2079 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.218 2079 G C 1.532 176.405 174.900 -0.045 0.000 1.180 2079 G CA 1.195 46.299 45.100 0.007 0.000 0.774 2079 G HN 0.455 nan 8.290 nan 0.000 0.562 2080 L N -0.039 121.145 121.223 -0.066 0.000 2.042 2080 L HA -0.169 4.169 4.340 -0.002 0.000 0.210 2080 L C 3.189 179.989 176.870 -0.117 0.000 1.076 2080 L CA 1.525 56.298 54.840 -0.111 0.000 0.749 2080 L CB -0.497 41.502 42.059 -0.100 0.000 0.893 2080 L HN 0.291 nan 8.230 nan 0.000 0.432 2081 Q N -0.216 119.544 119.800 -0.067 0.000 2.050 2081 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 2081 Q C 2.394 178.365 176.000 -0.048 0.000 0.980 2081 Q CA 1.338 57.102 55.803 -0.064 0.000 0.840 2081 Q CB -0.239 28.510 28.738 0.019 0.000 0.898 2081 Q HN 0.478 nan 8.270 nan 0.000 0.424 2082 L N 0.189 121.408 121.223 -0.007 0.000 2.042 2082 L HA -0.219 4.119 4.340 -0.002 0.000 0.210 2082 L C 2.358 179.204 176.870 -0.040 0.000 1.076 2082 L CA 0.597 55.446 54.840 0.016 0.000 0.749 2082 L CB -0.454 41.612 42.059 0.012 0.000 0.893 2082 L HN 0.267 nan 8.230 nan 0.000 0.432 2083 L N 0.055 121.207 121.223 -0.118 0.000 1.994 2083 L HA -0.156 4.182 4.340 -0.002 0.000 0.208 2083 L C 2.638 179.353 176.870 -0.258 0.000 1.071 2083 L CA 2.090 56.792 54.840 -0.230 0.000 0.745 2083 L CB -0.902 40.949 42.059 -0.348 0.000 0.892 2083 L HN 0.156 nan 8.230 nan 0.000 0.431 2084 A N -1.197 121.481 122.820 -0.236 0.000 1.859 2084 A HA -0.290 4.029 4.320 -0.002 0.000 0.217 2084 A C 2.299 179.822 177.584 -0.101 0.000 1.198 2084 A CA 1.998 53.909 52.037 -0.209 0.000 0.629 2084 A CB -1.145 17.713 19.000 -0.236 0.000 0.830 2084 A HN 0.671 nan 8.150 nan 0.000 0.446 2085 H N -0.473 118.560 119.070 -0.061 0.000 2.387 2085 H HA -0.001 4.553 4.556 -0.003 0.000 0.299 2085 H C 2.522 177.828 175.328 -0.038 0.000 1.090 2085 H CA 1.276 57.302 56.048 -0.037 0.000 1.332 2085 H CB -0.641 29.108 29.762 -0.022 0.000 1.386 2085 H HN 0.507 nan 8.280 nan 0.000 0.516 2086 A N 0.728 123.595 122.820 0.080 0.000 1.933 2086 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 2086 A C 2.612 180.207 177.584 0.018 0.000 1.175 2086 A CA 1.691 53.744 52.037 0.026 0.000 0.628 2086 A CB -0.690 18.302 19.000 -0.013 0.000 0.814 2086 A HN 0.429 nan 8.150 nan 0.000 0.444 2087 A N -1.771 121.049 122.820 -0.000 0.000 2.067 2087 A HA 0.375 4.693 4.320 -0.002 0.000 0.217 2087 A C 1.885 179.498 177.584 0.049 0.000 1.156 2087 A CA 1.358 53.410 52.037 0.025 0.000 0.683 2087 A CB -0.936 18.055 19.000 -0.015 0.000 0.808 2087 A HN 1.960 nan 8.150 nan 0.000 0.455 2088 G N -0.888 107.945 108.800 0.056 0.000 2.182 2088 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.248 2088 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.248 2088 G C 0.007 174.939 174.900 0.054 0.000 1.042 2088 G CA 0.232 45.371 45.100 0.065 0.000 0.775 2088 G HN 0.420 nan 8.290 nan 0.000 0.501 2089 L N 0.567 121.813 121.223 0.040 0.000 2.452 2089 L HA 0.617 4.956 4.340 -0.002 0.000 0.267 2089 L C 1.180 178.058 176.870 0.013 0.000 1.188 2089 L CA 0.799 55.650 54.840 0.020 0.000 0.821 2089 L CB 0.941 42.992 42.059 -0.013 0.000 1.102 2089 L HN 0.567 nan 8.230 nan 0.000 0.470 2090 T N -1.517 113.039 114.554 0.003 0.000 2.843 2090 T HA 0.646 4.995 4.350 -0.002 0.000 0.302 2090 T C 0.289 174.980 174.700 -0.015 0.000 1.232 2090 T CA -0.084 62.016 62.100 0.000 0.000 1.009 2090 T CB 1.763 70.637 68.868 0.009 0.000 1.254 2090 T HN 0.979 nan 8.240 nan 0.000 0.504 2091 G N 1.607 110.396 108.800 -0.017 0.000 2.634 2091 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.318 2091 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.318 2091 G C -0.258 174.617 174.900 -0.042 0.000 1.207 2091 G CA 0.663 45.748 45.100 -0.026 0.000 0.987 2091 G HN 1.124 nan 8.290 nan 0.000 0.547 2092 E N -0.345 119.824 120.200 -0.051 0.000 2.266 2092 E HA 0.551 4.900 4.350 -0.002 0.000 0.277 2092 E C -0.586 175.963 176.600 -0.086 0.000 1.018 2092 E CA -0.497 55.858 56.400 -0.075 0.000 0.840 2092 E CB 2.188 31.840 29.700 -0.080 0.000 1.082 2092 E HN 0.407 nan 8.360 nan 0.000 0.395 2093 V N 4.246 124.089 119.914 -0.120 0.000 2.482 2093 V HA 0.282 4.401 4.120 -0.002 0.000 0.295 2093 V C -0.397 175.595 176.094 -0.169 0.000 1.026 2093 V CA -0.659 61.566 62.300 -0.125 0.000 0.856 2093 V CB 1.252 33.009 31.823 -0.109 0.000 1.001 2093 V HN 0.581 nan 8.190 nan 0.000 0.424 2094 I N 6.911 127.393 120.570 -0.147 0.000 2.416 2094 I HA 0.547 4.715 4.170 -0.002 0.000 0.288 2094 I C 0.243 176.273 176.117 -0.145 0.000 1.051 2094 I CA 0.451 61.659 61.300 -0.154 0.000 1.375 2094 I CB 0.763 38.686 38.000 -0.128 0.000 1.407 2094 I HN 0.747 nan 8.210 nan 0.000 0.516 2095 M N 7.093 126.610 119.600 -0.139 0.000 2.721 2095 M HA 0.695 5.173 4.480 -0.002 0.000 0.271 2095 M C -3.018 173.300 176.300 0.030 0.000 1.259 2095 M CA -1.877 53.373 55.300 -0.083 0.000 0.835 2095 M CB 2.462 34.996 32.600 -0.108 0.000 1.689 2095 M HN -0.013 nan 8.290 nan 0.000 0.470 2096 P HA 0.169 nan 4.420 nan 0.000 0.276 2096 P C -0.191 177.123 177.300 0.024 0.000 1.252 2096 P CA -0.211 62.892 63.100 0.006 0.000 0.802 2096 P CB 1.376 33.029 31.700 -0.079 0.000 1.035 2097 S N 0.745 116.348 115.700 -0.163 0.000 2.486 2097 S HA 0.083 4.552 4.470 -0.002 0.000 0.220 2097 S C 1.045 175.463 174.600 -0.303 0.000 1.011 2097 S CA 0.019 57.904 58.200 -0.526 0.000 0.921 2097 S CB -0.533 62.228 63.200 -0.731 0.000 0.785 2097 S HN 0.266 nan 8.310 nan 0.000 0.517 2098 M N 3.464 122.955 119.600 -0.183 0.000 3.042 2098 M HA 0.333 4.811 4.480 -0.002 0.000 0.283 2098 M C -0.091 176.106 176.300 -0.170 0.000 1.473 2098 M CA 0.574 55.804 55.300 -0.118 0.000 1.583 2098 M CB -1.175 31.360 32.600 -0.109 0.000 1.221 2098 M HN 0.417 nan 8.290 nan 0.000 0.518 2099 T N 2.127 116.524 114.554 -0.263 0.000 2.663 2099 T HA 0.310 4.659 4.350 -0.002 0.000 0.305 2099 T C -1.509 172.640 174.700 -0.918 0.000 1.660 2099 T CA -0.617 61.129 62.100 -0.589 0.000 0.976 2099 T CB 0.615 69.249 68.868 -0.391 0.000 1.705 2099 T HN 0.239 nan 8.240 nan 0.000 0.494 2100 F N 2.439 121.523 119.950 -1.444 0.000 2.459 2100 F HA 0.592 5.118 4.527 -0.002 0.000 0.346 2100 F C 1.494 177.012 175.800 -0.470 0.000 1.128 2100 F CA -0.010 57.395 58.000 -0.992 0.000 1.268 2100 F CB 0.615 39.177 39.000 -0.730 0.000 1.161 2100 F HN 0.765 nan 8.300 nan 0.000 0.583 2101 A N 5.052 127.190 122.820 -1.137 0.000 1.940 2101 A HA -0.228 4.090 4.320 -0.002 0.000 0.221 2101 A C 2.249 179.362 177.584 -0.787 0.000 1.190 2101 A CA 2.352 53.815 52.037 -0.957 0.000 0.647 2101 A CB -1.647 16.776 19.000 -0.962 0.000 0.821 2101 A HN 1.141 nan 8.150 nan 0.000 0.457 2102 A N -1.119 121.258 122.820 -0.738 0.000 2.032 2102 A HA -0.125 4.193 4.320 -0.002 0.000 0.221 2102 A C 2.249 179.761 177.584 -0.120 0.000 1.165 2102 A CA 2.388 54.291 52.037 -0.223 0.000 0.645 2102 A CB -1.268 17.779 19.000 0.079 0.000 0.807 2102 A HN 0.524 nan 8.150 nan 0.000 0.453 2103 T N 0.552 115.006 114.554 -0.166 0.000 2.674 2103 T HA -0.092 4.257 4.350 -0.002 0.000 0.265 2103 T C -0.096 174.547 174.700 -0.096 0.000 1.039 2103 T CA 1.671 63.693 62.100 -0.129 0.000 1.150 2103 T CB -1.108 67.665 68.868 -0.158 0.000 0.864 2103 T HN 0.538 nan 8.240 nan 0.000 0.427 2104 P HA -0.019 nan 4.420 nan 0.000 0.216 2104 P C 1.088 178.485 177.300 0.160 0.000 1.156 2104 P CA 1.260 64.318 63.100 -0.069 0.000 0.855 2104 P CB -0.152 31.412 31.700 -0.226 0.000 0.786 2105 H N 0.884 120.011 119.070 0.095 0.000 2.353 2105 H HA -0.062 4.492 4.556 -0.003 0.000 0.298 2105 H C 2.146 177.526 175.328 0.086 0.000 1.103 2105 H CA 1.490 57.618 56.048 0.134 0.000 1.293 2105 H CB -1.285 28.491 29.762 0.023 0.000 1.372 2105 H HN 0.073 nan 8.280 nan 0.000 0.501 2106 A N 0.781 123.685 122.820 0.140 0.000 1.892 2106 A HA -0.176 4.142 4.320 -0.002 0.000 0.218 2106 A C 2.633 180.273 177.584 0.094 0.000 1.188 2106 A CA 1.835 53.909 52.037 0.062 0.000 0.631 2106 A CB -0.898 18.099 19.000 -0.005 0.000 0.822 2106 A HN 0.364 nan 8.150 nan 0.000 0.447 2107 L N -1.959 119.301 121.223 0.062 0.000 2.095 2107 L HA -0.083 4.256 4.340 -0.002 0.000 0.204 2107 L C 2.718 179.636 176.870 0.080 0.000 1.080 2107 L CA 1.414 56.267 54.840 0.022 0.000 0.759 2107 L CB -0.508 41.525 42.059 -0.044 0.000 0.914 2107 L HN 0.347 nan 8.230 nan 0.000 0.439 2108 R N 0.238 120.835 120.500 0.162 0.000 2.091 2108 R HA -0.249 4.089 4.340 -0.002 0.000 0.238 2108 R C 2.214 178.611 176.300 0.163 0.000 1.136 2108 R CA 1.768 57.975 56.100 0.178 0.000 0.959 2108 R CB -0.785 29.683 30.300 0.280 0.000 0.856 2108 R HN 0.461 nan 8.270 nan 0.000 0.437 2109 W N 1.493 122.787 121.300 -0.010 0.000 2.308 2109 W HA -0.219 4.440 4.660 -0.002 0.000 0.301 2109 W C 1.174 177.680 176.519 -0.021 0.000 1.220 2109 W CA 1.843 59.172 57.345 -0.028 0.000 1.240 2109 W CB -0.059 29.390 29.460 -0.019 0.000 1.142 2109 W HN 0.275 nan 8.180 nan 0.000 0.521 2110 I N -1.566 119.076 120.570 0.121 0.000 3.855 2110 I HA 0.432 4.601 4.170 -0.002 0.000 0.327 2110 I C 1.114 177.212 176.117 -0.031 0.000 1.359 2110 I CA 0.783 62.085 61.300 0.004 0.000 1.142 2110 I CB -0.616 37.339 38.000 -0.075 0.000 1.041 2110 I HN 0.070 nan 8.210 nan 0.000 0.403 2111 G N 1.756 110.540 108.800 -0.028 0.000 2.149 2111 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.235 2111 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.235 2111 G C -0.216 174.673 174.900 -0.017 0.000 1.018 2111 G CA 0.060 45.145 45.100 -0.025 0.000 0.728 2111 G HN 0.416 nan 8.290 nan 0.000 0.508 2112 L N -0.162 121.050 121.223 -0.018 0.000 2.358 2112 L HA 0.726 5.064 4.340 -0.002 0.000 0.268 2112 L C 0.530 177.393 176.870 -0.012 0.000 1.032 2112 L CA -0.868 53.954 54.840 -0.030 0.000 0.805 2112 L CB 1.835 43.857 42.059 -0.061 0.000 1.253 2112 L HN 0.080 nan 8.230 nan 0.000 0.452 2113 T N 1.877 116.409 114.554 -0.037 0.000 2.801 2113 T HA 0.346 4.694 4.350 -0.002 0.000 0.306 2113 T C -2.519 172.099 174.700 -0.138 0.000 1.020 2113 T CA -1.253 60.820 62.100 -0.045 0.000 0.948 2113 T CB 1.069 69.913 68.868 -0.040 0.000 0.962 2113 T HN 0.196 nan 8.240 nan 0.000 0.465 2114 P HA 0.294 nan 4.420 nan 0.000 0.271 2114 P C -0.855 176.073 177.300 -0.620 0.000 1.216 2114 P CA -0.389 62.412 63.100 -0.498 0.000 0.771 2114 P CB 0.678 31.913 31.700 -0.774 0.000 0.864 2115 V N 5.144 124.707 119.914 -0.585 0.000 2.409 2115 V HA 0.338 4.456 4.120 -0.002 0.000 0.290 2115 V C -0.294 175.549 176.094 -0.418 0.000 1.017 2115 V CA -0.378 61.678 62.300 -0.407 0.000 0.841 2115 V CB 0.258 31.960 31.823 -0.202 0.000 1.003 2115 V HN 0.391 nan 8.190 nan 0.000 0.426 2116 F N 3.271 123.165 119.950 -0.095 0.000 2.396 2116 F HA 0.748 5.274 4.527 -0.003 0.000 0.343 2116 F C 0.692 176.417 175.800 -0.125 0.000 1.104 2116 F CA -0.321 57.587 58.000 -0.153 0.000 1.161 2116 F CB 1.414 40.268 39.000 -0.245 0.000 1.146 2116 F HN 0.542 nan 8.300 nan 0.000 0.522 2117 A N 2.272 125.142 122.820 0.083 0.000 2.454 2117 A HA 0.473 4.791 4.320 -0.002 0.000 0.302 2117 A C -1.165 176.409 177.584 -0.018 0.000 1.079 2117 A CA -0.813 51.229 52.037 0.009 0.000 0.731 2117 A CB 1.281 20.273 19.000 -0.012 0.000 1.299 2117 A HN 0.614 nan 8.150 nan 0.000 0.413 2118 D N 0.439 120.827 120.400 -0.021 0.000 2.368 2118 D HA 0.386 5.025 4.640 -0.002 0.000 0.240 2118 D C 0.380 176.696 176.300 0.026 0.000 1.169 2118 D CA 0.242 54.241 54.000 -0.001 0.000 0.906 2118 D CB 0.534 41.353 40.800 0.033 0.000 1.187 2118 D HN 0.524 nan 8.370 nan 0.000 0.435 2119 I N -1.289 119.306 120.570 0.042 0.000 2.664 2119 I HA 0.346 4.514 4.170 -0.002 0.000 0.308 2119 I C 0.233 176.332 176.117 -0.030 0.000 0.984 2119 I CA -0.881 60.416 61.300 -0.005 0.000 1.213 2119 I CB 1.102 39.077 38.000 -0.041 0.000 1.379 2119 I HN 0.041 nan 8.210 nan 0.000 0.501 2120 D N 5.674 126.027 120.400 -0.078 0.000 2.352 2120 D HA 0.187 4.825 4.640 -0.002 0.000 0.245 2120 D C -1.555 174.632 176.300 -0.188 0.000 1.224 2120 D CA -2.372 51.548 54.000 -0.134 0.000 0.879 2120 D CB 1.258 42.018 40.800 -0.066 0.000 1.057 2120 D HN 0.350 nan 8.370 nan 0.000 0.491 2121 P HA -0.150 nan 4.420 nan 0.000 0.219 2121 P C 0.339 177.574 177.300 -0.108 0.000 1.144 2121 P CA 1.048 63.978 63.100 -0.283 0.000 0.806 2121 P CB 0.357 31.775 31.700 -0.470 0.000 0.771 2122 D N -1.373 118.978 120.400 -0.083 0.000 2.340 2122 D HA 0.003 4.642 4.640 -0.002 0.000 0.220 2122 D C 1.582 177.930 176.300 0.080 0.000 1.039 2122 D CA 1.203 55.214 54.000 0.018 0.000 0.866 2122 D CB 0.236 41.056 40.800 0.033 0.000 0.913 2122 D HN 0.385 nan 8.370 nan 0.000 0.523 2123 T N -4.689 109.852 114.554 -0.022 0.000 3.250 2123 T HA 0.329 4.678 4.350 -0.002 0.000 0.265 2123 T C 1.640 176.217 174.700 -0.204 0.000 0.973 2123 T CA 0.753 62.758 62.100 -0.158 0.000 1.040 2123 T CB 1.157 69.962 68.868 -0.106 0.000 1.167 2123 T HN 0.073 nan 8.240 nan 0.000 0.471 2124 G N 1.776 110.491 108.800 -0.143 0.000 2.163 2124 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.213 2124 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.213 2124 G C -0.298 174.478 174.900 -0.207 0.000 0.991 2124 G CA -0.123 44.867 45.100 -0.184 0.000 0.653 2124 G HN 0.688 nan 8.290 nan 0.000 0.518 2125 N N 0.032 118.642 118.700 -0.150 0.000 2.466 2125 N HA 0.536 5.275 4.740 -0.002 0.000 0.294 2125 N C 0.181 175.654 175.510 -0.062 0.000 1.129 2125 N CA -0.788 52.197 53.050 -0.109 0.000 0.931 2125 N CB 1.523 39.968 38.487 -0.069 0.000 1.193 2125 N HN 0.238 nan 8.380 nan 0.000 0.500 2126 L N 1.755 122.951 121.223 -0.046 0.000 2.776 2126 L HA -0.129 4.209 4.340 -0.002 0.000 0.283 2126 L C 0.316 177.183 176.870 -0.005 0.000 1.194 2126 L CA 0.512 55.338 54.840 -0.024 0.000 0.947 2126 L CB -0.477 41.577 42.059 -0.009 0.000 1.255 2126 L HN 0.425 nan 8.230 nan 0.000 0.481 2127 D N 8.140 128.538 120.400 -0.005 0.000 2.338 2127 D HA 0.125 4.763 4.640 -0.002 0.000 0.255 2127 D C -1.670 174.637 176.300 0.012 0.000 1.237 2127 D CA -1.793 52.210 54.000 0.005 0.000 0.883 2127 D CB 1.422 42.231 40.800 0.016 0.000 1.087 2127 D HN 0.395 nan 8.370 nan 0.000 0.485 2128 P HA -0.115 nan 4.420 nan 0.000 0.221 2128 P C 0.692 178.004 177.300 0.021 0.000 1.145 2128 P CA 0.695 63.808 63.100 0.022 0.000 0.795 2128 P CB 0.503 32.223 31.700 0.033 0.000 0.775 2129 D N -0.120 120.293 120.400 0.021 0.000 2.084 2129 D HA -0.143 4.495 4.640 -0.002 0.000 0.194 2129 D C 1.920 178.231 176.300 0.018 0.000 0.990 2129 D CA 1.118 55.132 54.000 0.024 0.000 0.826 2129 D CB -0.664 40.151 40.800 0.026 0.000 0.971 2129 D HN 0.108 nan 8.370 nan 0.000 0.453 2130 Q N 0.518 120.328 119.800 0.015 0.000 2.515 2130 Q HA -0.057 4.282 4.340 -0.002 0.000 0.215 2130 Q C 2.226 178.216 176.000 -0.016 0.000 0.983 2130 Q CA 0.117 55.923 55.803 0.005 0.000 0.905 2130 Q CB -0.419 28.327 28.738 0.014 0.000 0.961 2130 Q HN 0.254 nan 8.270 nan 0.000 0.503 2131 V N 0.539 120.441 119.914 -0.019 0.000 2.255 2131 V HA -0.207 3.911 4.120 -0.002 0.000 0.243 2131 V C 2.302 178.338 176.094 -0.097 0.000 1.038 2131 V CA 1.680 63.950 62.300 -0.050 0.000 1.008 2131 V CB -1.184 30.614 31.823 -0.041 0.000 0.645 2131 V HN 0.333 nan 8.190 nan 0.000 0.449 2132 A N 0.249 123.024 122.820 -0.076 0.000 1.948 2132 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 2132 A C 2.397 179.882 177.584 -0.164 0.000 1.177 2132 A CA 2.280 54.214 52.037 -0.171 0.000 0.636 2132 A CB -0.847 18.189 19.000 0.061 0.000 0.815 2132 A HN 0.623 nan 8.150 nan 0.000 0.449 2133 A N -0.464 122.309 122.820 -0.078 0.000 1.978 2133 A HA 0.152 4.471 4.320 -0.002 0.000 0.220 2133 A C 2.304 179.841 177.584 -0.079 0.000 1.170 2133 A CA 1.969 53.970 52.037 -0.059 0.000 0.636 2133 A CB -0.716 18.267 19.000 -0.030 0.000 0.810 2133 A HN 1.150 nan 8.150 nan 0.000 0.448 2134 A N -0.761 122.001 122.820 -0.096 0.000 2.218 2134 A HA 0.434 4.752 4.320 -0.002 0.000 0.209 2134 A C 0.888 178.395 177.584 -0.129 0.000 1.168 2134 A CA 0.156 52.137 52.037 -0.093 0.000 0.804 2134 A CB -0.429 18.526 19.000 -0.075 0.000 0.834 2134 A HN 0.247 nan 8.150 nan 0.000 0.482 2135 V N 1.407 121.201 119.914 -0.201 0.000 2.872 2135 V HA 0.384 4.503 4.120 -0.002 0.000 0.307 2135 V C 0.843 176.853 176.094 -0.141 0.000 1.072 2135 V CA 0.821 62.984 62.300 -0.228 0.000 1.148 2135 V CB 0.727 32.280 31.823 -0.450 0.000 0.954 2135 V HN 0.678 nan 8.190 nan 0.000 0.490 2136 T N 1.361 115.853 114.554 -0.103 0.000 2.787 2136 T HA 0.479 4.827 4.350 -0.002 0.000 0.297 2136 T C -2.588 172.086 174.700 -0.044 0.000 1.221 2136 T CA -1.444 60.619 62.100 -0.062 0.000 1.006 2136 T CB 2.032 70.869 68.868 -0.052 0.000 1.328 2136 T HN 0.350 nan 8.240 nan 0.000 0.509 2137 P HA 0.259 nan 4.420 nan 0.000 0.241 2137 P C 0.988 178.277 177.300 -0.019 0.000 1.191 2137 P CA 0.329 63.420 63.100 -0.015 0.000 0.771 2137 P CB 0.082 31.776 31.700 -0.010 0.000 0.929 2138 R N -1.202 119.281 120.500 -0.028 0.000 2.223 2138 R HA 0.123 4.461 4.340 -0.002 0.000 0.198 2138 R C 0.448 176.727 176.300 -0.036 0.000 0.984 2138 R CA 0.406 56.488 56.100 -0.029 0.000 1.018 2138 R CB -0.441 29.840 30.300 -0.032 0.000 0.945 2138 R HN 0.060 nan 8.270 nan 0.000 0.479 2139 T N 0.463 114.989 114.554 -0.047 0.000 2.867 2139 T HA -0.011 4.337 4.350 -0.002 0.000 0.297 2139 T C 1.151 175.827 174.700 -0.039 0.000 0.989 2139 T CA 0.206 62.272 62.100 -0.057 0.000 1.159 2139 T CB 1.313 70.132 68.868 -0.082 0.000 0.928 2139 T HN 0.254 nan 8.240 nan 0.000 0.538 2140 S N 1.676 117.354 115.700 -0.036 0.000 2.527 2140 S HA 0.604 5.072 4.470 -0.002 0.000 0.227 2140 S C 0.681 175.269 174.600 -0.020 0.000 1.059 2140 S CA 0.016 58.206 58.200 -0.018 0.000 0.919 2140 S CB 0.398 63.596 63.200 -0.004 0.000 0.805 2140 S HN 0.963 nan 8.310 nan 0.000 0.500 2141 A N 0.297 123.095 122.820 -0.037 0.000 2.564 2141 A HA 0.715 5.034 4.320 -0.002 0.000 0.291 2141 A C -1.700 175.828 177.584 -0.094 0.000 1.102 2141 A CA -0.650 51.353 52.037 -0.057 0.000 0.660 2141 A CB 1.056 20.075 19.000 0.033 0.000 1.283 2141 A HN 0.419 nan 8.150 nan 0.000 0.430 2142 V N 0.283 120.109 119.914 -0.147 0.000 2.540 2142 V HA 0.622 4.741 4.120 -0.002 0.000 0.302 2142 V C -0.799 175.162 176.094 -0.221 0.000 1.035 2142 V CA -0.533 61.663 62.300 -0.175 0.000 0.873 2142 V CB 1.571 33.278 31.823 -0.193 0.000 0.992 2142 V HN 0.730 nan 8.190 nan 0.000 0.428 2143 V N 3.929 123.728 119.914 -0.192 0.000 2.409 2143 V HA 0.707 4.826 4.120 -0.002 0.000 0.290 2143 V C 0.617 176.578 176.094 -0.221 0.000 1.017 2143 V CA -0.223 61.947 62.300 -0.217 0.000 0.841 2143 V CB 1.617 33.363 31.823 -0.127 0.000 1.003 2143 V HN 0.977 nan 8.190 nan 0.000 0.426 2144 G N 3.339 111.958 108.800 -0.301 0.000 2.462 2144 G HA2 0.616 4.575 3.960 -0.002 0.000 0.319 2144 G HA3 0.616 4.575 3.960 -0.002 0.000 0.319 2144 G C -0.959 173.921 174.900 -0.033 0.000 1.171 2144 G CA -0.519 44.547 45.100 -0.057 0.000 0.920 2144 G HN 0.515 nan 8.290 nan 0.000 0.499 2145 V N 1.770 121.620 119.914 -0.106 0.000 2.409 2145 V HA 0.215 4.334 4.120 -0.002 0.000 0.291 2145 V C -0.557 175.389 176.094 -0.248 0.000 1.020 2145 V CA -0.967 61.194 62.300 -0.232 0.000 0.848 2145 V CB 1.225 32.896 31.823 -0.253 0.000 0.990 2145 V HN 0.690 nan 8.190 nan 0.000 0.430 2146 H N 4.756 123.724 119.070 -0.169 0.000 3.216 2146 H HA 0.131 4.685 4.556 -0.002 0.000 0.263 2146 H C 0.177 175.392 175.328 -0.187 0.000 1.601 2146 H CA -0.533 55.403 56.048 -0.186 0.000 1.509 2146 H CB 0.292 29.945 29.762 -0.182 0.000 1.759 2146 H HN 0.439 nan 8.280 nan 0.000 0.533 2147 L N 4.049 125.194 121.223 -0.129 0.000 2.737 2147 L HA -0.173 4.165 4.340 -0.002 0.000 0.275 2147 L C -0.114 176.729 176.870 -0.045 0.000 1.179 2147 L CA 0.356 55.029 54.840 -0.278 0.000 0.970 2147 L CB -0.402 41.306 42.059 -0.585 0.000 1.268 2147 L HN 0.668 nan 8.230 nan 0.000 0.485 2148 W N 4.601 126.092 121.300 0.318 0.000 4.141 2148 W HA -0.219 4.439 4.660 -0.003 0.000 0.336 2148 W C 1.325 177.918 176.519 0.123 0.000 1.258 2148 W CA 0.996 58.441 57.345 0.167 0.000 0.747 2148 W CB -2.168 27.181 29.460 -0.185 0.000 2.338 2148 W HN 1.037 nan 8.180 nan 0.000 1.410 2149 G N -1.120 107.899 108.800 0.365 0.000 2.258 2149 G HA2 -0.337 3.621 3.960 -0.002 0.000 0.233 2149 G HA3 -0.337 3.621 3.960 -0.002 0.000 0.233 2149 G C 0.610 175.544 174.900 0.055 0.000 1.006 2149 G CA 0.048 45.261 45.100 0.188 0.000 0.620 2149 G HN 0.264 nan 8.290 nan 0.000 0.511 2150 R N 1.986 122.520 120.500 0.056 0.000 2.446 2150 R HA 0.320 4.658 4.340 -0.002 0.000 0.325 2150 R C -2.390 173.895 176.300 -0.026 0.000 0.997 2150 R CA -0.967 55.147 56.100 0.024 0.000 1.010 2150 R CB 0.202 30.504 30.300 0.004 0.000 0.946 2150 R HN 0.209 nan 8.270 nan 0.000 0.422 2151 P HA -0.042 nan 4.420 nan 0.000 0.267 2151 P C -0.130 177.138 177.300 -0.052 0.000 1.205 2151 P CA -0.217 62.725 63.100 -0.263 0.000 0.765 2151 P CB 0.522 32.049 31.700 -0.287 0.000 0.828 2152 C N 3.090 122.426 119.300 0.059 0.000 2.656 2152 C HA 0.321 4.779 4.460 -0.002 0.000 0.391 2152 C C 1.607 176.601 174.990 0.006 0.000 1.300 2152 C CA 0.065 59.105 59.018 0.037 0.000 2.302 2152 C CB -0.127 27.646 27.740 0.054 0.000 2.655 2152 C HN 0.622 nan 8.230 nan 0.000 0.656 2153 A N 2.352 125.204 122.820 0.053 0.000 3.051 2153 A HA 0.434 4.753 4.320 -0.002 0.000 0.257 2153 A C 1.510 179.151 177.584 0.095 0.000 1.785 2153 A CA 0.620 52.691 52.037 0.056 0.000 1.420 2153 A CB -0.735 18.297 19.000 0.054 0.000 1.063 2153 A HN 1.176 nan 8.150 nan 0.000 0.630 2154 A N 0.809 123.690 122.820 0.101 0.000 1.903 2154 A HA -0.257 4.062 4.320 -0.002 0.000 0.219 2154 A C 1.830 179.513 177.584 0.165 0.000 1.191 2154 A CA 2.223 54.397 52.037 0.229 0.000 0.638 2154 A CB -0.454 18.631 19.000 0.140 0.000 0.823 2154 A HN 0.570 nan 8.150 nan 0.000 0.451 2155 D N -0.457 119.997 120.400 0.090 0.000 2.092 2155 D HA -0.175 4.463 4.640 -0.002 0.000 0.193 2155 D C 2.346 178.676 176.300 0.051 0.000 0.994 2155 D CA 1.792 55.828 54.000 0.060 0.000 0.828 2155 D CB -0.538 40.284 40.800 0.037 0.000 0.963 2155 D HN 0.710 nan 8.370 nan 0.000 0.450 2156 Q N 0.019 119.849 119.800 0.049 0.000 2.096 2156 Q HA -0.110 4.228 4.340 -0.002 0.000 0.204 2156 Q C 2.575 178.600 176.000 0.042 0.000 0.982 2156 Q CA 0.770 56.597 55.803 0.040 0.000 0.850 2156 Q CB -0.236 28.525 28.738 0.038 0.000 0.901 2156 Q HN 0.326 nan 8.270 nan 0.000 0.422 2157 L N 0.386 121.647 121.223 0.062 0.000 2.046 2157 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 2157 L C 2.755 179.636 176.870 0.018 0.000 1.077 2157 L CA 1.201 56.070 54.840 0.048 0.000 0.747 2157 L CB -0.352 41.758 42.059 0.086 0.000 0.896 2157 L HN 0.194 nan 8.230 nan 0.000 0.432 2158 R N 0.504 121.023 120.500 0.033 0.000 2.081 2158 R HA -0.220 4.119 4.340 -0.002 0.000 0.235 2158 R C 2.365 178.660 176.300 -0.008 0.000 1.131 2158 R CA 1.625 57.724 56.100 -0.001 0.000 0.960 2158 R CB -0.102 30.207 30.300 0.016 0.000 0.856 2158 R HN 0.168 nan 8.270 nan 0.000 0.436 2159 K N -0.078 120.326 120.400 0.005 0.000 2.015 2159 K HA -0.191 4.127 4.320 -0.002 0.000 0.216 2159 K C 1.901 178.498 176.600 -0.005 0.000 1.052 2159 K CA 2.335 58.620 56.287 -0.003 0.000 0.937 2159 K CB -0.187 32.316 32.500 0.005 0.000 0.719 2159 K HN 0.094 nan 8.250 nan 0.000 0.446 2160 V N 1.088 121.015 119.914 0.021 0.000 2.233 2160 V HA -0.314 3.805 4.120 -0.002 0.000 0.247 2160 V C 2.463 178.614 176.094 0.095 0.000 1.050 2160 V CA 2.121 64.464 62.300 0.071 0.000 1.010 2160 V CB -1.141 30.729 31.823 0.078 0.000 0.637 2160 V HN 0.524 nan 8.190 nan 0.000 0.444 2161 A N 0.416 123.255 122.820 0.031 0.000 1.869 2161 A HA -0.351 3.968 4.320 -0.002 0.000 0.218 2161 A C 2.005 179.587 177.584 -0.002 0.000 1.203 2161 A CA 2.426 54.463 52.037 0.001 0.000 0.638 2161 A CB -1.002 17.947 19.000 -0.084 0.000 0.831 2161 A HN 0.585 nan 8.150 nan 0.000 0.450 2162 D N -0.038 120.343 120.400 -0.032 0.000 2.133 2162 D HA -0.227 4.412 4.640 -0.002 0.000 0.192 2162 D C 1.945 178.205 176.300 -0.068 0.000 1.001 2162 D CA 1.803 55.775 54.000 -0.046 0.000 0.844 2162 D CB -0.603 40.171 40.800 -0.043 0.000 0.944 2162 D HN 0.882 nan 8.370 nan 0.000 0.447 2163 E N 0.028 120.163 120.200 -0.109 0.000 2.268 2163 E HA -0.186 4.163 4.350 -0.002 0.000 0.195 2163 E C 0.892 177.273 176.600 -0.365 0.000 0.995 2163 E CA 1.053 57.307 56.400 -0.244 0.000 0.836 2163 E CB -0.439 29.072 29.700 -0.314 0.000 0.763 2163 E HN 0.480 nan 8.360 nan 0.000 0.491 2164 H N -0.411 118.637 119.070 -0.036 0.000 2.594 2164 H HA 0.313 4.867 4.556 -0.003 0.000 0.279 2164 H C 0.814 176.119 175.328 -0.039 0.000 1.042 2164 H CA 0.235 56.261 56.048 -0.036 0.000 1.177 2164 H CB 1.353 31.092 29.762 -0.038 0.000 1.524 2164 H HN 0.334 nan 8.280 nan 0.000 0.537 2165 G N 1.133 109.948 108.800 0.024 0.000 2.221 2165 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.265 2165 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.265 2165 G C -0.044 174.852 174.900 -0.007 0.000 1.041 2165 G CA 0.288 45.388 45.100 -0.001 0.000 0.807 2165 G HN 0.282 nan 8.290 nan 0.000 0.502 2166 L N -1.764 119.452 121.223 -0.012 0.000 2.416 2166 L HA 0.796 5.135 4.340 -0.002 0.000 0.263 2166 L C 0.995 177.796 176.870 -0.114 0.000 1.065 2166 L CA -1.262 53.548 54.840 -0.050 0.000 0.798 2166 L CB 0.910 42.937 42.059 -0.053 0.000 1.267 2166 L HN 0.086 nan 8.230 nan 0.000 0.467 2167 R N 0.358 120.755 120.500 -0.172 0.000 2.604 2167 R HA 0.618 4.956 4.340 -0.002 0.000 0.287 2167 R C -1.335 174.640 176.300 -0.541 0.000 0.970 2167 R CA -0.567 55.318 56.100 -0.359 0.000 0.946 2167 R CB 1.606 31.722 30.300 -0.307 0.000 1.127 2167 R HN 0.301 nan 8.270 nan 0.000 0.473 2168 L N 3.873 124.642 121.223 -0.757 0.000 2.325 2168 L HA 0.510 4.848 4.340 -0.002 0.000 0.281 2168 L C -1.724 174.546 176.870 -1.000 0.000 1.004 2168 L CA -0.197 54.200 54.840 -0.739 0.000 0.823 2168 L CB 0.871 42.649 42.059 -0.468 0.000 1.236 2168 L HN 0.614 nan 8.230 nan 0.000 0.415 2169 Y N 3.622 123.587 120.300 -0.559 0.000 2.615 2169 Y HA 0.635 5.183 4.550 -0.003 0.000 0.341 2169 Y C -1.016 174.402 175.900 -0.804 0.000 1.089 2169 Y CA -0.779 57.030 58.100 -0.485 0.000 1.049 2169 Y CB 2.082 40.381 38.460 -0.268 0.000 1.296 2169 Y HN 0.356 nan 8.280 nan 0.000 0.470 2170 F N 0.439 120.372 119.950 -0.029 0.000 2.565 2170 F HA 0.260 4.786 4.527 -0.002 0.000 0.313 2170 F C -0.557 175.065 175.800 -0.297 0.000 1.091 2170 F CA -1.070 56.778 58.000 -0.254 0.000 0.915 2170 F CB 1.607 40.355 39.000 -0.420 0.000 1.208 2170 F HN 0.376 nan 8.300 nan 0.000 0.453 2171 D N 2.618 122.930 120.400 -0.147 0.000 2.422 2171 D HA 0.297 4.936 4.640 -0.002 0.000 0.227 2171 D C 0.110 176.234 176.300 -0.293 0.000 1.190 2171 D CA -0.044 53.827 54.000 -0.215 0.000 0.905 2171 D CB 1.269 41.940 40.800 -0.214 0.000 1.034 2171 D HN 0.607 nan 8.370 nan 0.000 0.507 2172 A N 3.589 126.215 122.820 -0.324 0.000 2.579 2172 A HA 0.456 4.775 4.320 -0.002 0.000 0.273 2172 A C 1.877 179.302 177.584 -0.266 0.000 1.363 2172 A CA 0.375 52.238 52.037 -0.290 0.000 0.953 2172 A CB -0.367 18.292 19.000 -0.569 0.000 1.034 2172 A HN 0.615 nan 8.150 nan 0.000 0.536 2173 A N 0.259 122.928 122.820 -0.252 0.000 1.927 2173 A HA -0.242 4.076 4.320 -0.002 0.000 0.220 2173 A C 1.613 179.273 177.584 0.127 0.000 1.185 2173 A CA 2.092 54.059 52.037 -0.115 0.000 0.639 2173 A CB -0.825 18.104 19.000 -0.117 0.000 0.820 2173 A HN 0.822 nan 8.150 nan 0.000 0.451 2174 H N -2.163 116.994 119.070 0.146 0.000 2.594 2174 H HA 0.557 5.111 4.556 -0.003 0.000 0.279 2174 H C 1.457 176.925 175.328 0.234 0.000 1.042 2174 H CA 0.112 56.311 56.048 0.251 0.000 1.177 2174 H CB 0.296 30.358 29.762 0.500 0.000 1.524 2174 H HN 0.488 nan 8.280 nan 0.000 0.537 2175 A N 1.167 124.173 122.820 0.309 0.000 2.307 2175 A HA 0.104 4.422 4.320 -0.002 0.000 0.218 2175 A C 0.578 178.397 177.584 0.391 0.000 1.228 2175 A CA -0.314 51.893 52.037 0.283 0.000 0.857 2175 A CB -0.278 18.804 19.000 0.136 0.000 0.897 2175 A HN 0.248 nan 8.150 nan 0.000 0.495 2176 L N 0.746 122.225 121.223 0.426 0.000 2.584 2176 L HA 0.379 4.718 4.340 -0.002 0.000 0.272 2176 L C 1.337 178.395 176.870 0.312 0.000 1.195 2176 L CA 1.635 56.595 54.840 0.200 0.000 0.920 2176 L CB -0.351 41.649 42.059 -0.099 0.000 1.173 2176 L HN 0.745 nan 8.230 nan 0.000 0.489 2177 G N 2.486 111.417 108.800 0.218 0.000 2.179 2177 G HA2 -0.270 3.688 3.960 -0.002 0.000 0.260 2177 G HA3 -0.270 3.688 3.960 -0.002 0.000 0.260 2177 G C 0.475 175.420 174.900 0.074 0.000 0.977 2177 G CA 0.115 45.312 45.100 0.162 0.000 0.641 2177 G HN 0.811 nan 8.290 nan 0.000 0.533 2178 C N 0.650 120.001 119.300 0.085 0.000 2.382 2178 C HA 0.945 5.403 4.460 -0.002 0.000 0.363 2178 C C 0.888 175.865 174.990 -0.022 0.000 1.213 2178 C CA 0.438 59.468 59.018 0.020 0.000 2.363 2178 C CB 0.976 28.716 27.740 0.001 0.000 2.397 2178 C HN 1.473 nan 8.230 nan 0.000 0.573 2179 A N 0.830 123.626 122.820 -0.041 0.000 2.599 2179 A HA 0.826 5.145 4.320 -0.002 0.000 0.290 2179 A C -1.535 176.017 177.584 -0.053 0.000 1.101 2179 A CA -0.417 51.588 52.037 -0.053 0.000 0.674 2179 A CB 1.309 20.291 19.000 -0.030 0.000 1.277 2179 A HN 1.324 nan 8.150 nan 0.000 0.419 2180 V N 0.876 120.757 119.914 -0.055 0.000 2.655 2180 V HA 0.600 4.719 4.120 -0.002 0.000 0.301 2180 V C -0.995 175.080 176.094 -0.031 0.000 1.082 2180 V CA 0.076 62.351 62.300 -0.041 0.000 0.899 2180 V CB 1.431 33.222 31.823 -0.053 0.000 1.014 2180 V HN 1.077 nan 8.190 nan 0.000 0.429 2181 D N 4.753 125.140 120.400 -0.022 0.000 2.837 2181 D HA -0.172 4.467 4.640 -0.002 0.000 0.230 2181 D C 1.193 177.483 176.300 -0.017 0.000 1.152 2181 D CA 2.212 56.202 54.000 -0.017 0.000 0.736 2181 D CB -1.240 39.551 40.800 -0.014 0.000 1.084 2181 D HN 1.840 nan 8.370 nan 0.000 0.429 2182 G N -0.549 108.240 108.800 -0.019 0.000 2.184 2182 G HA2 -0.383 3.575 3.960 -0.002 0.000 0.264 2182 G HA3 -0.383 3.575 3.960 -0.002 0.000 0.264 2182 G C 0.245 175.135 174.900 -0.017 0.000 0.975 2182 G CA 0.464 45.554 45.100 -0.017 0.000 0.642 2182 G HN 0.531 nan 8.290 nan 0.000 0.536 2183 R N 1.157 121.644 120.500 -0.022 0.000 2.265 2183 R HA 0.471 4.809 4.340 -0.002 0.000 0.319 2183 R C -2.659 173.623 176.300 -0.030 0.000 1.006 2183 R CA -1.859 54.229 56.100 -0.020 0.000 0.880 2183 R CB 1.636 31.924 30.300 -0.020 0.000 1.077 2183 R HN 0.156 nan 8.270 nan 0.000 0.454 2184 P HA 0.072 nan 4.420 nan 0.000 0.279 2184 P C -0.498 176.802 177.300 -0.000 0.000 1.239 2184 P CA -0.366 62.734 63.100 -0.001 0.000 0.789 2184 P CB 0.971 32.686 31.700 0.024 0.000 0.933 2185 A N 2.486 125.295 122.820 -0.019 0.000 2.540 2185 A HA 0.427 4.746 4.320 -0.002 0.000 0.239 2185 A C 1.459 179.165 177.584 0.203 0.000 1.061 2185 A CA 1.000 53.000 52.037 -0.062 0.000 0.758 2185 A CB -1.311 17.611 19.000 -0.130 0.000 0.991 2185 A HN 0.867 nan 8.150 nan 0.000 0.502 2186 G N 0.479 109.384 108.800 0.175 0.000 2.316 2186 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.203 2186 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.203 2186 G C 1.006 176.021 174.900 0.192 0.000 0.999 2186 G CA 0.794 46.063 45.100 0.280 0.000 0.649 2186 G HN 2.027 nan 8.290 nan 0.000 0.489 2187 S N 0.181 115.959 115.700 0.130 0.000 2.539 2187 S HA 0.464 4.932 4.470 -0.002 0.000 0.221 2187 S C 2.049 176.711 174.600 0.102 0.000 0.987 2187 S CA 0.561 58.824 58.200 0.104 0.000 0.929 2187 S CB 0.031 63.270 63.200 0.065 0.000 0.832 2187 S HN 0.394 nan 8.310 nan 0.000 0.492 2188 L N 1.088 122.376 121.223 0.108 0.000 2.095 2188 L HA 0.290 4.628 4.340 -0.002 0.000 0.204 2188 L C 1.731 178.802 176.870 0.334 0.000 1.080 2188 L CA 0.874 55.789 54.840 0.125 0.000 0.759 2188 L CB -0.921 41.081 42.059 -0.095 0.000 0.914 2188 L HN 0.488 nan 8.230 nan 0.000 0.439 2189 G N -1.508 107.588 108.800 0.494 0.000 2.753 2189 G HA2 0.147 4.105 3.960 -0.002 0.000 0.285 2189 G HA3 0.147 4.105 3.960 -0.002 0.000 0.285 2189 G C -0.216 174.774 174.900 0.150 0.000 1.344 2189 G CA -0.289 45.025 45.100 0.357 0.000 1.050 2189 G HN -0.099 nan 8.290 nan 0.000 0.532 2190 D N -0.097 120.297 120.400 -0.011 0.000 2.158 2190 D HA 0.139 4.777 4.640 -0.002 0.000 0.197 2190 D C 1.123 177.542 176.300 0.198 0.000 0.995 2190 D CA 1.938 55.952 54.000 0.022 0.000 0.846 2190 D CB 0.115 40.789 40.800 -0.210 0.000 0.941 2190 D HN 0.604 nan 8.370 nan 0.000 0.456 2191 A N -0.757 122.247 122.820 0.307 0.000 2.608 2191 A HA 0.569 4.888 4.320 -0.002 0.000 0.292 2191 A C -1.262 176.450 177.584 0.215 0.000 1.066 2191 A CA -0.742 51.444 52.037 0.248 0.000 0.676 2191 A CB 1.488 20.596 19.000 0.179 0.000 1.277 2191 A HN -0.075 nan 8.150 nan 0.000 0.413 2192 E N -0.139 120.118 120.200 0.095 0.000 2.367 2192 E HA 0.615 4.964 4.350 -0.002 0.000 0.273 2192 E C -1.549 174.948 176.600 -0.172 0.000 0.903 2192 E CA -0.962 55.420 56.400 -0.030 0.000 0.764 2192 E CB 2.633 32.296 29.700 -0.062 0.000 1.252 2192 E HN 0.391 nan 8.360 nan 0.000 0.446 2193 V N 2.330 122.070 119.914 -0.290 0.000 2.487 2193 V HA 0.428 4.546 4.120 -0.002 0.000 0.298 2193 V C -0.945 174.890 176.094 -0.430 0.000 1.028 2193 V CA -0.700 61.448 62.300 -0.253 0.000 0.860 2193 V CB 0.713 32.444 31.823 -0.154 0.000 0.991 2193 V HN 0.515 nan 8.190 nan 0.000 0.427 2194 F N 1.970 121.841 119.950 -0.132 0.000 2.432 2194 F HA 0.670 5.196 4.527 -0.001 0.000 0.329 2194 F C 0.708 176.192 175.800 -0.526 0.000 1.076 2194 F CA -0.253 57.551 58.000 -0.327 0.000 1.018 2194 F CB 2.031 40.762 39.000 -0.448 0.000 1.201 2194 F HN 0.457 nan 8.300 nan 0.000 0.489 2195 S N 1.314 116.792 115.700 -0.370 0.000 2.503 2195 S HA 0.593 5.061 4.470 -0.002 0.000 0.301 2195 S C -0.780 173.486 174.600 -0.555 0.000 1.087 2195 S CA -0.475 57.521 58.200 -0.341 0.000 1.042 2195 S CB 0.419 63.565 63.200 -0.091 0.000 1.043 2195 S HN 0.435 nan 8.310 nan 0.000 0.489 2196 F N 3.295 123.330 119.950 0.141 0.000 2.881 2196 F HA 0.319 4.845 4.527 -0.002 0.000 0.343 2196 F C 0.870 176.702 175.800 0.054 0.000 1.233 2196 F CA -0.717 57.328 58.000 0.076 0.000 1.262 2196 F CB -0.113 38.935 39.000 0.081 0.000 0.980 2196 F HN 0.655 nan 8.300 nan 0.000 0.506 2197 H N 0.723 119.841 119.070 0.080 0.000 2.790 2197 H HA 0.230 4.785 4.556 -0.003 0.000 0.358 2197 H C 1.412 176.762 175.328 0.037 0.000 1.103 2197 H CA 0.584 56.666 56.048 0.057 0.000 1.426 2197 H CB 1.552 31.324 29.762 0.017 0.000 1.424 2197 H HN 0.371 nan 8.280 nan 0.000 0.599 2198 A N 3.218 125.751 122.820 -0.479 0.000 2.067 2198 A HA -0.269 4.050 4.320 -0.002 0.000 0.224 2198 A C 2.201 179.747 177.584 -0.064 0.000 1.172 2198 A CA 2.576 54.447 52.037 -0.276 0.000 0.662 2198 A CB -1.097 17.694 19.000 -0.348 0.000 0.814 2198 A HN 0.862 nan 8.150 nan 0.000 0.468 2199 T N -3.606 111.035 114.554 0.146 0.000 3.107 2199 T HA 0.199 4.548 4.350 -0.002 0.000 0.249 2199 T C 0.756 175.498 174.700 0.071 0.000 1.096 2199 T CA -0.066 62.135 62.100 0.170 0.000 1.012 2199 T CB 0.044 69.071 68.868 0.264 0.000 0.977 2199 T HN 0.255 nan 8.240 nan 0.000 0.527 2200 K N 0.591 121.028 120.400 0.060 0.000 2.209 2200 K HA 0.702 5.020 4.320 -0.002 0.000 0.238 2200 K C 1.666 178.243 176.600 -0.038 0.000 1.028 2200 K CA -0.062 56.221 56.287 -0.006 0.000 0.935 2200 K CB 0.476 32.996 32.500 0.033 0.000 1.162 2200 K HN 0.062 nan 8.250 nan 0.000 0.485 2201 A N 0.447 123.231 122.820 -0.060 0.000 1.940 2201 A HA -0.044 4.274 4.320 -0.002 0.000 0.219 2201 A C 0.781 178.298 177.584 -0.110 0.000 1.176 2201 A CA 1.219 53.243 52.037 -0.021 0.000 0.631 2201 A CB -0.021 19.048 19.000 0.115 0.000 0.814 2201 A HN 0.259 nan 8.150 nan 0.000 0.446 2202 V N 1.033 120.845 119.914 -0.170 0.000 2.444 2202 V HA 0.379 4.497 4.120 -0.002 0.000 0.294 2202 V C -0.775 175.349 176.094 0.050 0.000 1.022 2202 V CA -0.789 61.426 62.300 -0.142 0.000 0.850 2202 V CB 1.343 33.002 31.823 -0.273 0.000 0.992 2202 V HN 0.565 nan 8.190 nan 0.000 0.426 2203 N N 3.818 122.482 118.700 -0.060 0.000 2.321 2203 N HA 0.702 5.440 4.740 -0.002 0.000 0.299 2203 N C -0.246 175.094 175.510 -0.283 0.000 1.048 2203 N CA -0.185 52.795 53.050 -0.116 0.000 0.836 2203 N CB 2.231 40.620 38.487 -0.163 0.000 1.269 2203 N HN 0.710 nan 8.380 nan 0.000 0.486 2204 A N 2.893 125.546 122.820 -0.279 0.000 2.585 2204 A HA 0.453 4.772 4.320 -0.002 0.000 0.281 2204 A C 0.042 177.426 177.584 -0.333 0.000 0.945 2204 A CA -0.454 51.320 52.037 -0.439 0.000 1.031 2204 A CB -0.969 17.839 19.000 -0.319 0.000 1.221 2204 A HN 0.764 nan 8.150 nan 0.000 0.496 2205 F N -0.884 119.006 119.950 -0.101 0.000 2.551 2205 F HA -0.265 4.261 4.527 -0.002 0.000 0.704 2205 F C 0.632 176.353 175.800 -0.131 0.000 0.486 2205 F CA 1.968 59.896 58.000 -0.121 0.000 0.741 2205 F CB -0.797 38.147 39.000 -0.093 0.000 1.617 2205 F HN 0.340 nan 8.300 nan 0.000 0.268 2206 E N 0.571 120.866 120.200 0.157 0.000 2.321 2206 E HA 0.623 4.972 4.350 -0.002 0.000 0.278 2206 E C -0.130 176.558 176.600 0.147 0.000 0.902 2206 E CA 0.288 56.768 56.400 0.133 0.000 0.758 2206 E CB 2.039 31.821 29.700 0.136 0.000 1.213 2206 E HN 0.583 nan 8.360 nan 0.000 0.426 2207 G N 0.334 109.253 108.800 0.198 0.000 2.316 2207 G HA2 0.574 4.532 3.960 -0.002 0.000 0.296 2207 G HA3 0.574 4.532 3.960 -0.002 0.000 0.296 2207 G C -0.902 174.200 174.900 0.336 0.000 1.399 2207 G CA 0.020 45.269 45.100 0.249 0.000 0.833 2207 G HN 0.677 nan 8.290 nan 0.000 0.565 2208 G N -1.687 107.366 108.800 0.422 0.000 2.554 2208 G HA2 1.028 4.987 3.960 -0.002 0.000 0.306 2208 G HA3 1.028 4.987 3.960 -0.002 0.000 0.306 2208 G C -1.151 174.041 174.900 0.487 0.000 1.320 2208 G CA 0.496 45.773 45.100 0.296 0.000 0.800 2208 G HN 2.286 nan 8.290 nan 0.000 0.481 2209 A N -1.234 121.793 122.820 0.345 0.000 2.582 2209 A HA 0.658 4.976 4.320 -0.002 0.000 0.297 2209 A C -1.375 176.350 177.584 0.235 0.000 1.059 2209 A CA -0.394 51.864 52.037 0.369 0.000 0.705 2209 A CB 1.427 20.753 19.000 0.543 0.000 1.279 2209 A HN 1.629 nan 8.150 nan 0.000 0.404 2210 V N 2.188 122.195 119.914 0.156 0.000 2.370 2210 V HA 0.608 4.726 4.120 -0.002 0.000 0.279 2210 V C 0.377 176.550 176.094 0.132 0.000 1.029 2210 V CA -0.456 61.898 62.300 0.089 0.000 0.870 2210 V CB 1.008 32.840 31.823 0.015 0.000 0.984 2210 V HN 1.343 nan 8.190 nan 0.000 0.451 2211 V N 1.985 121.994 119.914 0.159 0.000 2.581 2211 V HA 1.003 5.122 4.120 -0.002 0.000 0.303 2211 V C -0.348 175.846 176.094 0.166 0.000 1.041 2211 V CA -0.029 62.387 62.300 0.193 0.000 0.907 2211 V CB 1.728 33.727 31.823 0.294 0.000 0.994 2211 V HN 0.957 nan 8.190 nan 0.000 0.442 2212 T N 1.234 115.898 114.554 0.184 0.000 2.786 2212 T HA 0.375 4.724 4.350 -0.002 0.000 0.316 2212 T C -0.633 174.218 174.700 0.252 0.000 1.503 2212 T CA -0.169 62.046 62.100 0.192 0.000 1.019 2212 T CB 2.158 71.126 68.868 0.167 0.000 1.415 2212 T HN 0.792 nan 8.240 nan 0.000 0.496 2213 D N 0.726 121.254 120.400 0.214 0.000 2.379 2213 D HA 0.154 4.792 4.640 -0.002 0.000 0.208 2213 D C -0.054 176.435 176.300 0.314 0.000 1.065 2213 D CA 0.112 54.235 54.000 0.206 0.000 0.848 2213 D CB 0.389 41.244 40.800 0.091 0.000 0.949 2213 D HN 0.478 nan 8.370 nan 0.000 0.509 2214 D N 0.724 121.264 120.400 0.233 0.000 2.402 2214 D HA 0.171 4.810 4.640 -0.002 0.000 0.235 2214 D C 1.180 177.471 176.300 -0.014 0.000 1.226 2214 D CA -0.193 53.879 54.000 0.120 0.000 0.918 2214 D CB 1.034 41.885 40.800 0.084 0.000 1.043 2214 D HN -0.042 nan 8.370 nan 0.000 0.506 2215 A N 4.172 126.941 122.820 -0.085 0.000 1.978 2215 A HA -0.192 4.126 4.320 -0.002 0.000 0.220 2215 A C 1.772 179.214 177.584 -0.237 0.000 1.170 2215 A CA 1.221 53.007 52.037 -0.419 0.000 0.636 2215 A CB -0.001 18.894 19.000 -0.175 0.000 0.810 2215 A HN 0.535 nan 8.150 nan 0.000 0.448 2216 D N -0.661 119.682 120.400 -0.096 0.000 2.137 2216 D HA -0.076 4.563 4.640 -0.002 0.000 0.202 2216 D C 1.891 178.159 176.300 -0.054 0.000 0.970 2216 D CA 1.089 55.053 54.000 -0.059 0.000 0.837 2216 D CB -0.274 40.514 40.800 -0.019 0.000 0.981 2216 D HN 0.360 nan 8.370 nan 0.000 0.475 2217 L N 1.544 122.744 121.223 -0.039 0.000 2.012 2217 L HA -0.132 4.206 4.340 -0.002 0.000 0.210 2217 L C 2.247 179.085 176.870 -0.054 0.000 1.073 2217 L CA 1.910 56.737 54.840 -0.021 0.000 0.748 2217 L CB -0.875 41.195 42.059 0.018 0.000 0.891 2217 L HN -0.049 nan 8.230 nan 0.000 0.431 2218 A N -0.348 122.413 122.820 -0.099 0.000 1.903 2218 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 2218 A C 2.447 179.963 177.584 -0.113 0.000 1.191 2218 A CA 2.512 54.471 52.037 -0.130 0.000 0.638 2218 A CB -1.375 17.450 19.000 -0.291 0.000 0.823 2218 A HN 0.629 nan 8.150 nan 0.000 0.451 2219 A N -1.102 121.649 122.820 -0.114 0.000 1.969 2219 A HA -0.095 4.224 4.320 -0.002 0.000 0.218 2219 A C 2.251 179.814 177.584 -0.036 0.000 1.169 2219 A CA 1.326 53.324 52.037 -0.066 0.000 0.635 2219 A CB -0.413 18.556 19.000 -0.051 0.000 0.810 2219 A HN 0.533 nan 8.150 nan 0.000 0.445 2220 R N -0.708 119.772 120.500 -0.034 0.000 2.075 2220 R HA -0.026 4.312 4.340 -0.002 0.000 0.232 2220 R C 1.963 178.250 176.300 -0.020 0.000 1.126 2220 R CA 1.471 57.562 56.100 -0.015 0.000 0.963 2220 R CB -0.448 29.845 30.300 -0.011 0.000 0.858 2220 R HN 0.569 nan 8.270 nan 0.000 0.435 2221 I N 0.224 120.768 120.570 -0.043 0.000 2.163 2221 I HA -0.320 3.849 4.170 -0.002 0.000 0.243 2221 I C 2.772 178.829 176.117 -0.100 0.000 1.085 2221 I CA 1.321 62.585 61.300 -0.060 0.000 1.347 2221 I CB -0.248 37.707 38.000 -0.075 0.000 1.044 2221 I HN 0.135 nan 8.210 nan 0.000 0.408 2222 R N 0.777 121.198 120.500 -0.131 0.000 2.083 2222 R HA -0.206 4.132 4.340 -0.002 0.000 0.237 2222 R C 2.364 178.686 176.300 0.037 0.000 1.137 2222 R CA 1.725 57.718 56.100 -0.178 0.000 0.951 2222 R CB -0.293 29.944 30.300 -0.105 0.000 0.851 2222 R HN 0.393 nan 8.270 nan 0.000 0.434 2223 A N 0.923 123.772 122.820 0.048 0.000 1.858 2223 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 2223 A C 2.171 179.792 177.584 0.061 0.000 1.190 2223 A CA 1.245 53.336 52.037 0.089 0.000 0.617 2223 A CB -0.632 18.409 19.000 0.069 0.000 0.827 2223 A HN 0.339 nan 8.150 nan 0.000 0.443 2224 L N 0.022 121.262 121.223 0.028 0.000 2.265 2224 L HA -0.177 4.161 4.340 -0.002 0.000 0.215 2224 L C 2.469 179.335 176.870 -0.006 0.000 1.117 2224 L CA 1.273 56.110 54.840 -0.005 0.000 0.782 2224 L CB -0.744 41.318 42.059 0.004 0.000 0.914 2224 L HN 0.757 nan 8.230 nan 0.000 0.441 2225 H N -0.928 118.074 119.070 -0.113 0.000 2.555 2225 H HA -0.030 4.524 4.556 -0.002 0.000 0.269 2225 H C 0.460 175.610 175.328 -0.296 0.000 0.988 2225 H CA 0.546 56.500 56.048 -0.157 0.000 1.178 2225 H CB -0.222 29.496 29.762 -0.073 0.000 1.373 2225 H HN 0.245 nan 8.280 nan 0.000 0.588 2226 N N 0.115 118.704 118.700 -0.184 0.000 2.696 2226 N HA 0.093 4.831 4.740 -0.002 0.000 0.308 2226 N C -0.963 174.319 175.510 -0.379 0.000 1.915 2226 N CA -0.614 52.228 53.050 -0.347 0.000 0.906 2226 N CB -1.060 37.464 38.487 0.062 0.000 1.284 2226 N HN 0.172 nan 8.380 nan 0.000 0.488 2227 F N -0.231 119.532 119.950 -0.313 0.000 3.100 2227 F HA -0.258 4.267 4.527 -0.002 0.000 0.284 2227 F C 1.510 176.947 175.800 -0.605 0.000 0.875 2227 F CA 0.718 58.390 58.000 -0.547 0.000 1.039 2227 F CB -1.731 36.726 39.000 -0.905 0.000 1.111 2227 F HN 0.395 nan 8.300 nan 0.000 0.575 2228 G N -0.724 107.950 108.800 -0.209 0.000 2.168 2228 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.257 2228 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.257 2228 G C 0.219 175.139 174.900 0.034 0.000 0.997 2228 G CA -0.031 45.023 45.100 -0.078 0.000 0.708 2228 G HN 0.544 nan 8.290 nan 0.000 0.520 2229 F N 0.841 120.870 119.950 0.133 0.000 2.518 2229 F HA 0.293 4.818 4.527 -0.003 0.000 0.359 2229 F C 1.340 177.191 175.800 0.085 0.000 1.118 2229 F CA 0.164 58.232 58.000 0.113 0.000 1.287 2229 F CB 0.496 39.578 39.000 0.137 0.000 1.132 2229 F HN 0.179 nan 8.300 nan 0.000 0.587 2230 D N 1.998 122.576 120.400 0.297 0.000 2.870 2230 D HA -0.202 4.437 4.640 -0.002 0.000 0.228 2230 D C -0.686 175.687 176.300 0.122 0.000 1.147 2230 D CA 0.440 54.540 54.000 0.166 0.000 0.757 2230 D CB -1.156 39.730 40.800 0.142 0.000 1.091 2230 D HN 0.159 nan 8.370 nan 0.000 0.429 2231 L N 0.834 122.127 121.223 0.116 0.000 2.371 2231 L HA 0.400 4.738 4.340 -0.002 0.000 0.262 2231 L C -2.319 174.588 176.870 0.061 0.000 1.054 2231 L CA -1.821 53.062 54.840 0.073 0.000 0.924 2231 L CB 0.906 43.002 42.059 0.060 0.000 1.295 2231 L HN -0.303 nan 8.230 nan 0.000 0.441 2232 P HA 0.312 nan 4.420 nan 0.000 0.261 2232 P C 0.867 178.187 177.300 0.032 0.000 1.203 2232 P CA 0.829 63.954 63.100 0.041 0.000 0.767 2232 P CB 0.660 32.380 31.700 0.033 0.000 0.785 2233 G N 2.211 111.030 108.800 0.031 0.000 2.284 2233 G HA2 0.035 3.993 3.960 -0.002 0.000 0.216 2233 G HA3 0.035 3.993 3.960 -0.002 0.000 0.216 2233 G C 0.584 175.497 174.900 0.021 0.000 1.009 2233 G CA 0.163 45.276 45.100 0.023 0.000 0.625 2233 G HN 0.960 nan 8.290 nan 0.000 0.501 2234 G N -0.723 108.094 108.800 0.028 0.000 2.601 2234 G HA2 0.308 4.266 3.960 -0.002 0.000 0.252 2234 G HA3 0.308 4.266 3.960 -0.002 0.000 0.252 2234 G C 0.207 175.108 174.900 0.001 0.000 1.294 2234 G CA 1.386 46.499 45.100 0.021 0.000 0.912 2234 G HN 2.465 nan 8.290 nan 0.000 0.574 2235 S N -0.803 114.886 115.700 -0.018 0.000 2.570 2235 S HA 0.752 5.221 4.470 -0.002 0.000 0.270 2235 S C -1.708 172.856 174.600 -0.060 0.000 1.149 2235 S CA 0.164 58.340 58.200 -0.040 0.000 0.837 2235 S CB 1.981 65.146 63.200 -0.059 0.000 1.124 2235 S HN 0.638 nan 8.310 nan 0.000 0.465 2236 P HA 0.165 nan 4.420 nan 0.000 0.223 2236 P C 1.241 178.464 177.300 -0.129 0.000 1.151 2236 P CA 1.146 64.203 63.100 -0.072 0.000 0.787 2236 P CB -0.200 31.470 31.700 -0.051 0.000 0.788 2237 A N -0.791 121.887 122.820 -0.237 0.000 2.066 2237 A HA 0.305 4.624 4.320 -0.002 0.000 0.218 2237 A C 1.908 179.349 177.584 -0.238 0.000 1.157 2237 A CA 1.758 53.539 52.037 -0.426 0.000 0.670 2237 A CB -1.139 17.254 19.000 -1.013 0.000 0.804 2237 A HN 0.302 nan 8.150 nan 0.000 0.453 2238 G N -1.906 106.806 108.800 -0.147 0.000 5.219 2238 G HA2 0.282 4.241 3.960 -0.002 0.000 0.267 2238 G HA3 0.282 4.241 3.960 -0.002 0.000 0.267 2238 G C 1.173 176.027 174.900 -0.078 0.000 1.495 2238 G CA 0.544 45.595 45.100 -0.081 0.000 0.988 2238 G HN 2.401 nan 8.290 nan 0.000 0.707 2239 G N -2.481 106.273 108.800 -0.077 0.000 2.337 2239 G HA2 0.670 4.628 3.960 -0.002 0.000 0.298 2239 G HA3 0.670 4.628 3.960 -0.002 0.000 0.298 2239 G C -0.679 174.197 174.900 -0.041 0.000 1.335 2239 G CA 1.124 46.181 45.100 -0.071 0.000 0.875 2239 G HN 1.872 nan 8.290 nan 0.000 0.579 2240 T N -1.270 113.214 114.554 -0.117 0.000 2.637 2240 T HA 0.613 4.962 4.350 -0.002 0.000 0.303 2240 T C -1.715 172.676 174.700 -0.515 0.000 1.288 2240 T CA -0.309 61.714 62.100 -0.128 0.000 1.040 2240 T CB 1.797 70.653 68.868 -0.020 0.000 1.644 2240 T HN 1.015 nan 8.240 nan 0.000 0.480 2241 N N 0.619 119.071 118.700 -0.413 0.000 2.483 2241 N HA 0.667 5.406 4.740 -0.002 0.000 0.267 2241 N C -0.629 174.719 175.510 -0.269 0.000 0.998 2241 N CA -0.239 52.451 53.050 -0.601 0.000 0.918 2241 N CB 1.370 39.620 38.487 -0.395 0.000 1.215 2241 N HN 0.744 nan 8.380 nan 0.000 0.500 2242 A N 3.579 126.236 122.820 -0.271 0.000 2.594 2242 A HA 0.237 4.556 4.320 -0.002 0.000 0.292 2242 A C 0.104 177.633 177.584 -0.091 0.000 1.026 2242 A CA -0.417 51.569 52.037 -0.085 0.000 0.983 2242 A CB -0.041 18.985 19.000 0.043 0.000 1.233 2242 A HN 0.509 nan 8.150 nan 0.000 0.519 2243 K N 0.075 120.276 120.400 -0.332 0.000 2.355 2243 K HA 0.297 4.616 4.320 -0.002 0.000 0.270 2243 K C -0.137 176.450 176.600 -0.021 0.000 1.003 2243 K CA 0.153 56.274 56.287 -0.278 0.000 0.957 2243 K CB 0.807 33.119 32.500 -0.314 0.000 0.939 2243 K HN 0.507 nan 8.250 nan 0.000 0.482 2244 M N 2.608 122.249 119.600 0.067 0.000 2.113 2244 M HA 0.070 4.548 4.480 -0.002 0.000 0.352 2244 M C -0.088 176.226 176.300 0.024 0.000 1.170 2244 M CA -0.262 55.069 55.300 0.052 0.000 1.053 2244 M CB 1.003 33.635 32.600 0.053 0.000 1.601 2244 M HN 0.782 nan 8.290 nan 0.000 0.459 2245 S N 3.678 119.387 115.700 0.014 0.000 2.600 2245 S HA 0.169 4.637 4.470 -0.002 0.000 0.265 2245 S C 0.709 175.296 174.600 -0.021 0.000 1.325 2245 S CA -0.514 57.697 58.200 0.018 0.000 1.002 2245 S CB 0.827 64.046 63.200 0.030 0.000 0.921 2245 S HN 0.777 nan 8.310 nan 0.000 0.554 2246 E N 0.955 121.145 120.200 -0.017 0.000 2.208 2246 E HA -0.066 4.282 4.350 -0.002 0.000 0.193 2246 E C 2.264 178.837 176.600 -0.045 0.000 0.988 2246 E CA 1.130 57.492 56.400 -0.064 0.000 0.828 2246 E CB -0.670 28.989 29.700 -0.069 0.000 0.763 2246 E HN 0.793 nan 8.360 nan 0.000 0.478 2247 A N 1.757 124.578 122.820 0.001 0.000 1.877 2247 A HA -0.092 4.227 4.320 -0.002 0.000 0.216 2247 A C 2.458 180.084 177.584 0.071 0.000 1.186 2247 A CA 1.895 53.957 52.037 0.041 0.000 0.620 2247 A CB -0.547 18.479 19.000 0.043 0.000 0.822 2247 A HN 0.271 nan 8.150 nan 0.000 0.443 2248 A N -0.177 122.668 122.820 0.041 0.000 1.902 2248 A HA 0.156 4.475 4.320 -0.002 0.000 0.217 2248 A C 2.492 179.918 177.584 -0.262 0.000 1.181 2248 A CA 2.089 54.127 52.037 0.001 0.000 0.623 2248 A CB -0.989 17.996 19.000 -0.024 0.000 0.818 2248 A HN 1.076 nan 8.150 nan 0.000 0.443 2249 A N -0.111 122.534 122.820 -0.292 0.000 1.933 2249 A HA 0.155 4.474 4.320 -0.002 0.000 0.218 2249 A C 2.494 179.866 177.584 -0.354 0.000 1.175 2249 A CA 2.039 53.792 52.037 -0.475 0.000 0.628 2249 A CB -0.994 17.819 19.000 -0.311 0.000 0.814 2249 A HN 1.056 nan 8.150 nan 0.000 0.444 2250 A N -0.789 121.916 122.820 -0.192 0.000 1.883 2250 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 2250 A C 2.182 179.658 177.584 -0.180 0.000 1.186 2250 A CA 2.459 54.416 52.037 -0.133 0.000 0.624 2250 A CB -0.533 18.433 19.000 -0.056 0.000 0.822 2250 A HN 0.581 nan 8.150 nan 0.000 0.444 2251 M N 0.555 120.018 119.600 -0.229 0.000 2.086 2251 M HA -0.032 4.446 4.480 -0.002 0.000 0.261 2251 M C 1.988 178.056 176.300 -0.387 0.000 1.067 2251 M CA 2.002 57.075 55.300 -0.379 0.000 1.116 2251 M CB -1.389 30.746 32.600 -0.776 0.000 1.348 2251 M HN 0.291 nan 8.290 nan 0.000 0.407 2252 G N -0.052 108.467 108.800 -0.469 0.000 2.442 2252 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.219 2252 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.219 2252 G C 1.559 176.375 174.900 -0.141 0.000 1.141 2252 G CA 1.165 45.995 45.100 -0.450 0.000 0.763 2252 G HN 0.514 nan 8.290 nan 0.000 0.554 2253 L N 0.385 121.535 121.223 -0.121 0.000 2.056 2253 L HA -0.059 4.280 4.340 -0.002 0.000 0.207 2253 L C 3.170 180.010 176.870 -0.050 0.000 1.078 2253 L CA 1.493 56.330 54.840 -0.005 0.000 0.749 2253 L CB -0.659 41.387 42.059 -0.021 0.000 0.901 2253 L HN 0.150 nan 8.230 nan 0.000 0.433 2254 T N -1.636 112.859 114.554 -0.099 0.000 2.788 2254 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 2254 T C 2.163 176.812 174.700 -0.085 0.000 1.044 2254 T CA 1.609 63.653 62.100 -0.095 0.000 1.139 2254 T CB -0.086 68.700 68.868 -0.136 0.000 0.867 2254 T HN 0.206 nan 8.240 nan 0.000 0.454 2255 S N 0.506 116.135 115.700 -0.118 0.000 2.371 2255 S HA 0.112 4.580 4.470 -0.002 0.000 0.224 2255 S C 1.942 176.512 174.600 -0.051 0.000 1.029 2255 S CA 0.587 58.724 58.200 -0.104 0.000 0.978 2255 S CB -0.368 62.733 63.200 -0.165 0.000 0.833 2255 S HN 0.385 nan 8.310 nan 0.000 0.466 2256 L N 1.136 122.327 121.223 -0.054 0.000 2.201 2256 L HA -0.088 4.250 4.340 -0.002 0.000 0.212 2256 L C 2.034 178.936 176.870 0.053 0.000 1.105 2256 L CA 0.934 55.767 54.840 -0.011 0.000 0.775 2256 L CB -0.532 41.501 42.059 -0.044 0.000 0.913 2256 L HN 0.235 nan 8.230 nan 0.000 0.440 2257 D N 0.421 120.829 120.400 0.014 0.000 2.149 2257 D HA -0.164 4.474 4.640 -0.002 0.000 0.198 2257 D C 1.972 178.295 176.300 0.037 0.000 0.990 2257 D CA 1.541 55.550 54.000 0.016 0.000 0.839 2257 D CB 0.142 40.937 40.800 -0.007 0.000 0.948 2257 D HN 0.333 nan 8.370 nan 0.000 0.460 2258 A N -0.680 122.170 122.820 0.051 0.000 2.308 2258 A HA 0.058 4.376 4.320 -0.002 0.000 0.217 2258 A C 1.596 179.261 177.584 0.135 0.000 1.216 2258 A CA -0.307 51.768 52.037 0.063 0.000 0.864 2258 A CB -0.381 18.641 19.000 0.037 0.000 0.902 2258 A HN 0.074 nan 8.150 nan 0.000 0.499 2259 F N 2.348 122.280 119.950 -0.030 0.000 2.043 2259 F HA -0.084 4.441 4.527 -0.004 0.000 0.297 2259 F C -0.839 174.950 175.800 -0.019 0.000 1.121 2259 F CA 1.905 59.891 58.000 -0.024 0.000 1.199 2259 F CB -1.372 37.610 39.000 -0.030 0.000 0.968 2259 F HN 0.161 nan 8.300 nan 0.000 0.478 2260 P HA -0.218 nan 4.420 nan 0.000 0.216 2260 P C 1.610 178.825 177.300 -0.142 0.000 1.150 2260 P CA 2.129 65.096 63.100 -0.222 0.000 0.843 2260 P CB -0.284 31.338 31.700 -0.129 0.000 0.787 2261 E N -0.168 119.999 120.200 -0.056 0.000 2.152 2261 E HA -0.098 4.251 4.350 -0.002 0.000 0.192 2261 E C 1.753 178.340 176.600 -0.023 0.000 0.983 2261 E CA 0.861 57.240 56.400 -0.034 0.000 0.818 2261 E CB -0.221 29.474 29.700 -0.010 0.000 0.758 2261 E HN -0.024 nan 8.360 nan 0.000 0.467 2262 V N 1.624 121.545 119.914 0.011 0.000 2.295 2262 V HA -0.273 3.846 4.120 -0.002 0.000 0.246 2262 V C 2.479 178.577 176.094 0.005 0.000 1.049 2262 V CA 1.594 63.924 62.300 0.050 0.000 1.024 2262 V CB -0.444 31.480 31.823 0.169 0.000 0.648 2262 V HN 0.325 nan 8.190 nan 0.000 0.447 2263 I N 0.484 120.992 120.570 -0.104 0.000 2.163 2263 I HA -0.319 3.849 4.170 -0.002 0.000 0.243 2263 I C 2.376 178.458 176.117 -0.058 0.000 1.085 2263 I CA 2.365 63.591 61.300 -0.123 0.000 1.347 2263 I CB -0.467 37.338 38.000 -0.325 0.000 1.044 2263 I HN 0.414 nan 8.210 nan 0.000 0.408 2264 D N 0.521 120.877 120.400 -0.074 0.000 2.123 2264 D HA -0.264 4.375 4.640 -0.002 0.000 0.196 2264 D C 2.238 178.521 176.300 -0.027 0.000 0.992 2264 D CA 1.288 55.258 54.000 -0.051 0.000 0.833 2264 D CB 0.048 40.816 40.800 -0.053 0.000 0.954 2264 D HN 0.021 nan 8.370 nan 0.000 0.455 2265 R N 0.697 121.190 120.500 -0.012 0.000 2.066 2265 R HA -0.065 4.274 4.340 -0.002 0.000 0.232 2265 R C 1.770 178.082 176.300 0.020 0.000 1.131 2265 R CA 1.559 57.661 56.100 0.003 0.000 0.955 2265 R CB -0.940 29.367 30.300 0.013 0.000 0.851 2265 R HN 0.147 nan 8.270 nan 0.000 0.432 2266 N N 0.663 119.387 118.700 0.040 0.000 2.061 2266 N HA -0.161 4.578 4.740 -0.002 0.000 0.193 2266 N C 1.710 177.252 175.510 0.053 0.000 1.030 2266 N CA 1.796 54.896 53.050 0.083 0.000 0.856 2266 N CB -0.272 38.286 38.487 0.119 0.000 1.023 2266 N HN 0.305 nan 8.380 nan 0.000 0.424 2267 R N 0.613 121.102 120.500 -0.019 0.000 2.083 2267 R HA -0.007 4.332 4.340 -0.002 0.000 0.237 2267 R C 2.290 178.537 176.300 -0.089 0.000 1.137 2267 R CA 1.030 57.037 56.100 -0.156 0.000 0.951 2267 R CB -0.222 30.006 30.300 -0.120 0.000 0.851 2267 R HN 0.275 nan 8.270 nan 0.000 0.434 2268 R N 0.547 121.024 120.500 -0.039 0.000 2.080 2268 R HA -0.114 4.225 4.340 -0.002 0.000 0.236 2268 R C 2.012 178.306 176.300 -0.009 0.000 1.137 2268 R CA 1.658 57.742 56.100 -0.028 0.000 0.943 2268 R CB -0.457 29.829 30.300 -0.024 0.000 0.846 2268 R HN 0.251 nan 8.270 nan 0.000 0.431 2269 N N 0.119 118.833 118.700 0.024 0.000 2.061 2269 N HA -0.230 4.508 4.740 -0.002 0.000 0.193 2269 N C 1.693 177.285 175.510 0.136 0.000 1.030 2269 N CA 1.337 54.420 53.050 0.054 0.000 0.856 2269 N CB -0.760 37.797 38.487 0.116 0.000 1.023 2269 N HN 0.404 nan 8.380 nan 0.000 0.424 2270 H N 0.528 119.628 119.070 0.051 0.000 2.321 2270 H HA -0.011 4.544 4.556 -0.002 0.000 0.300 2270 H C 1.724 177.060 175.328 0.013 0.000 1.087 2270 H CA 1.820 57.905 56.048 0.061 0.000 1.319 2270 H CB -0.168 29.518 29.762 -0.126 0.000 1.379 2270 H HN 0.196 nan 8.280 nan 0.000 0.501 2271 A N 1.425 124.236 122.820 -0.016 0.000 1.908 2271 A HA -0.126 4.192 4.320 -0.002 0.000 0.218 2271 A C 2.778 180.266 177.584 -0.161 0.000 1.181 2271 A CA 2.137 54.118 52.037 -0.094 0.000 0.627 2271 A CB -1.188 17.789 19.000 -0.039 0.000 0.818 2271 A HN 0.618 nan 8.150 nan 0.000 0.445 2272 A N -1.653 121.087 122.820 -0.133 0.000 1.902 2272 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 2272 A C 2.114 179.613 177.584 -0.142 0.000 1.181 2272 A CA 1.562 53.482 52.037 -0.194 0.000 0.623 2272 A CB -0.818 18.111 19.000 -0.118 0.000 0.818 2272 A HN 0.634 nan 8.150 nan 0.000 0.443 2273 Y N -0.765 119.482 120.300 -0.088 0.000 2.293 2273 Y HA -0.160 4.389 4.550 -0.003 0.000 0.291 2273 Y C 2.683 178.488 175.900 -0.158 0.000 1.137 2273 Y CA 1.634 59.693 58.100 -0.069 0.000 1.202 2273 Y CB -0.090 38.300 38.460 -0.117 0.000 0.990 2273 Y HN 0.288 nan 8.280 nan 0.000 0.537 2274 R N 0.998 121.419 120.500 -0.131 0.000 2.070 2274 R HA -0.231 4.107 4.340 -0.002 0.000 0.233 2274 R C 2.312 178.538 176.300 -0.122 0.000 1.137 2274 R CA 2.063 58.050 56.100 -0.188 0.000 0.945 2274 R CB -0.315 29.803 30.300 -0.302 0.000 0.845 2274 R HN 0.568 nan 8.270 nan 0.000 0.430 2275 E N -0.622 119.469 120.200 -0.180 0.000 2.077 2275 E HA -0.239 4.110 4.350 -0.002 0.000 0.193 2275 E C 1.374 177.871 176.600 -0.171 0.000 0.989 2275 E CA 1.388 57.663 56.400 -0.209 0.000 0.800 2275 E CB -0.399 29.119 29.700 -0.302 0.000 0.746 2275 E HN 0.511 nan 8.360 nan 0.000 0.452 2276 H N -0.180 118.859 119.070 -0.052 0.000 2.563 2276 H HA 0.132 4.686 4.556 -0.003 0.000 0.272 2276 H C 1.206 176.522 175.328 -0.021 0.000 1.005 2276 H CA 0.734 56.758 56.048 -0.041 0.000 1.171 2276 H CB 0.314 30.040 29.762 -0.061 0.000 1.351 2276 H HN 0.268 nan 8.280 nan 0.000 0.602 2277 L N -0.186 121.086 121.223 0.081 0.000 2.959 2277 L HA 0.344 4.683 4.340 -0.002 0.000 0.259 2277 L C 1.060 177.933 176.870 0.005 0.000 1.185 2277 L CA -0.346 54.520 54.840 0.044 0.000 0.998 2277 L CB 0.466 42.546 42.059 0.036 0.000 1.337 2277 L HN 0.015 nan 8.230 nan 0.000 0.555 2278 A N -0.374 122.443 122.820 -0.005 0.000 2.366 2278 A HA 0.161 4.480 4.320 -0.002 0.000 0.250 2278 A C 0.439 178.019 177.584 -0.008 0.000 1.099 2278 A CA 0.047 52.075 52.037 -0.015 0.000 0.794 2278 A CB 0.008 18.993 19.000 -0.025 0.000 1.056 2278 A HN 0.517 nan 8.150 nan 0.000 0.499 2279 D N -2.070 118.325 120.400 -0.010 0.000 2.689 2279 D HA -0.148 4.491 4.640 -0.002 0.000 0.237 2279 D C -0.688 175.608 176.300 -0.006 0.000 1.148 2279 D CA 1.200 55.196 54.000 -0.007 0.000 0.656 2279 D CB -1.171 39.627 40.800 -0.004 0.000 1.050 2279 D HN 0.360 nan 8.370 nan 0.000 0.426 2280 L N 0.199 121.416 121.223 -0.009 0.000 2.489 2280 L HA 0.349 4.687 4.340 -0.002 0.000 0.257 2280 L C -2.432 174.429 176.870 -0.015 0.000 1.215 2280 L CA -1.618 53.215 54.840 -0.011 0.000 0.915 2280 L CB 1.480 43.532 42.059 -0.012 0.000 1.146 2280 L HN -0.284 nan 8.230 nan 0.000 0.494 2281 P HA 0.310 nan 4.420 nan 0.000 0.264 2281 P C 0.896 178.186 177.300 -0.017 0.000 1.193 2281 P CA 0.887 63.980 63.100 -0.012 0.000 0.763 2281 P CB 0.685 32.381 31.700 -0.007 0.000 0.810 2282 G N 1.393 110.182 108.800 -0.019 0.000 2.179 2282 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.260 2282 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.260 2282 G C -0.079 174.799 174.900 -0.038 0.000 0.977 2282 G CA -0.075 45.010 45.100 -0.026 0.000 0.641 2282 G HN 0.551 nan 8.290 nan 0.000 0.533 2283 V N 1.727 121.619 119.914 -0.037 0.000 2.327 2283 V HA 0.512 4.630 4.120 -0.002 0.000 0.272 2283 V C 0.120 176.185 176.094 -0.047 0.000 1.019 2283 V CA -0.553 61.718 62.300 -0.049 0.000 0.814 2283 V CB 1.236 33.031 31.823 -0.047 0.000 1.040 2283 V HN 0.333 nan 8.190 nan 0.000 0.440 2284 L N 4.709 125.901 121.223 -0.051 0.000 2.277 2284 L HA 0.527 4.865 4.340 -0.002 0.000 0.284 2284 L C -0.015 176.815 176.870 -0.067 0.000 1.028 2284 L CA -0.826 53.986 54.840 -0.045 0.000 0.835 2284 L CB 1.633 43.678 42.059 -0.023 0.000 1.215 2284 L HN 0.246 nan 8.230 nan 0.000 0.425 2285 V N 3.264 123.132 119.914 -0.076 0.000 2.458 2285 V HA 0.050 4.169 4.120 -0.002 0.000 0.287 2285 V C 1.098 177.148 176.094 -0.073 0.000 1.009 2285 V CA -0.109 62.127 62.300 -0.106 0.000 1.091 2285 V CB 0.881 32.627 31.823 -0.128 0.000 0.960 2285 V HN 0.866 nan 8.190 nan 0.000 0.476 2286 A N 4.264 127.006 122.820 -0.130 0.000 2.476 2286 A HA 0.151 4.469 4.320 -0.002 0.000 0.275 2286 A C 0.425 177.893 177.584 -0.193 0.000 1.133 2286 A CA -0.184 51.766 52.037 -0.144 0.000 0.797 2286 A CB -0.246 18.624 19.000 -0.217 0.000 1.081 2286 A HN 0.880 nan 8.150 nan 0.000 0.510 2287 D N 2.151 122.545 120.400 -0.009 0.000 2.483 2287 D HA 0.146 4.785 4.640 -0.002 0.000 0.220 2287 D C 1.134 177.480 176.300 0.075 0.000 1.173 2287 D CA -0.018 54.011 54.000 0.048 0.000 0.964 2287 D CB 0.006 40.865 40.800 0.098 0.000 1.046 2287 D HN 0.579 nan 8.370 nan 0.000 0.517 2288 H N 1.760 120.897 119.070 0.112 0.000 2.352 2288 H HA -0.116 4.439 4.556 -0.003 0.000 0.299 2288 H C 1.101 176.498 175.328 0.114 0.000 1.097 2288 H CA 1.025 57.136 56.048 0.105 0.000 1.311 2288 H CB 0.027 29.680 29.762 -0.183 0.000 1.377 2288 H HN 0.483 nan 8.280 nan 0.000 0.504 2289 D N 1.053 121.543 120.400 0.150 0.000 2.203 2289 D HA -0.182 4.456 4.640 -0.002 0.000 0.199 2289 D C 2.257 178.573 176.300 0.026 0.000 0.997 2289 D CA 1.259 55.322 54.000 0.105 0.000 0.863 2289 D CB -0.255 40.612 40.800 0.111 0.000 0.928 2289 D HN 0.616 nan 8.370 nan 0.000 0.458 2290 R N 0.199 120.677 120.500 -0.037 0.000 2.200 2290 R HA -0.103 4.236 4.340 -0.002 0.000 0.234 2290 R C 1.397 177.440 176.300 -0.428 0.000 1.127 2290 R CA 1.114 57.076 56.100 -0.231 0.000 0.989 2290 R CB -0.729 29.407 30.300 -0.274 0.000 0.869 2290 R HN 0.413 nan 8.270 nan 0.000 0.459 2291 H N 0.344 119.446 119.070 0.054 0.000 2.539 2291 H HA 0.291 4.845 4.556 -0.003 0.000 0.267 2291 H C 0.924 176.256 175.328 0.007 0.000 0.982 2291 H CA 0.774 56.844 56.048 0.037 0.000 1.146 2291 H CB 0.725 30.523 29.762 0.059 0.000 1.382 2291 H HN 0.513 nan 8.280 nan 0.000 0.577 2292 G N 0.861 109.690 108.800 0.049 0.000 2.355 2292 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.619 2292 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.619 2292 G C -1.213 173.703 174.900 0.027 0.000 1.337 2292 G CA -0.773 44.338 45.100 0.019 0.000 0.993 2292 G HN 0.199 nan 8.290 nan 0.000 0.599 2293 L N 1.119 122.348 121.223 0.010 0.000 2.559 2293 L HA 0.415 4.754 4.340 -0.002 0.000 0.274 2293 L C 0.538 177.416 176.870 0.013 0.000 1.205 2293 L CA 0.121 54.971 54.840 0.017 0.000 0.907 2293 L CB 0.231 42.291 42.059 0.001 0.000 1.153 2293 L HN 0.710 nan 8.230 nan 0.000 0.490 2294 N N 2.745 121.458 118.700 0.022 0.000 2.269 2294 N HA 0.177 4.915 4.740 -0.002 0.000 0.304 2294 N C 0.210 175.734 175.510 0.024 0.000 1.072 2294 N CA -0.476 52.550 53.050 -0.040 0.000 0.802 2294 N CB 1.436 39.776 38.487 -0.244 0.000 1.348 2294 N HN 0.804 nan 8.380 nan 0.000 0.484 2295 N N 1.655 120.372 118.700 0.030 0.000 2.515 2295 N HA -0.081 4.657 4.740 -0.002 0.000 0.185 2295 N C -0.115 175.482 175.510 0.146 0.000 1.109 2295 N CA 0.758 53.857 53.050 0.082 0.000 0.903 2295 N CB -0.380 38.204 38.487 0.162 0.000 0.969 2295 N HN 0.630 nan 8.380 nan 0.000 0.450 2296 H N -0.957 118.148 119.070 0.058 0.000 2.820 2296 H HA -0.133 4.421 4.556 -0.003 0.000 0.295 2296 H C 0.290 175.640 175.328 0.036 0.000 1.187 2296 H CA 0.841 56.941 56.048 0.088 0.000 1.144 2296 H CB -1.106 28.698 29.762 0.069 0.000 1.354 2296 H HN 0.389 nan 8.280 nan 0.000 0.395 2297 Q N -0.444 119.337 119.800 -0.032 0.000 2.297 2297 Q HA 0.005 4.344 4.340 -0.002 0.000 0.204 2297 Q C 0.078 175.827 176.000 -0.418 0.000 0.962 2297 Q CA 1.077 56.733 55.803 -0.245 0.000 0.879 2297 Q CB 0.251 28.772 28.738 -0.362 0.000 0.947 2297 Q HN 0.561 nan 8.270 nan 0.000 0.462 2298 Y N -0.679 119.624 120.300 0.006 0.000 2.328 2298 Y HA 0.330 4.879 4.550 -0.002 0.000 0.337 2298 Y C -0.234 175.693 175.900 0.045 0.000 0.966 2298 Y CA -0.887 57.177 58.100 -0.059 0.000 1.136 2298 Y CB 1.591 39.912 38.460 -0.231 0.000 1.170 2298 Y HN -0.395 nan 8.280 nan 0.000 0.470 2299 V N 6.124 126.105 119.914 0.112 0.000 2.304 2299 V HA 0.279 4.398 4.120 -0.002 0.000 0.269 2299 V C -0.205 175.778 176.094 -0.185 0.000 1.036 2299 V CA -0.433 61.863 62.300 -0.006 0.000 0.840 2299 V CB 0.043 31.770 31.823 -0.161 0.000 1.036 2299 V HN 0.564 nan 8.190 nan 0.000 0.466 2300 I N 6.103 126.531 120.570 -0.237 0.000 2.441 2300 I HA 0.595 4.764 4.170 -0.002 0.000 0.295 2300 I C -0.096 175.835 176.117 -0.310 0.000 0.994 2300 I CA -0.561 60.506 61.300 -0.389 0.000 1.144 2300 I CB 2.001 39.526 38.000 -0.792 0.000 1.314 2300 I HN 0.422 nan 8.210 nan 0.000 0.445 2301 V N 2.709 122.464 119.914 -0.265 0.000 2.735 2301 V HA 0.627 4.746 4.120 -0.002 0.000 0.310 2301 V C -0.563 175.444 176.094 -0.145 0.000 1.061 2301 V CA -0.692 61.494 62.300 -0.190 0.000 0.913 2301 V CB 2.272 33.987 31.823 -0.180 0.000 1.005 2301 V HN 0.771 nan 8.190 nan 0.000 0.428 2302 E N 4.027 124.169 120.200 -0.097 0.000 2.175 2302 E HA 0.554 4.902 4.350 -0.002 0.000 0.278 2302 E C -1.072 175.483 176.600 -0.075 0.000 0.969 2302 E CA -0.785 55.577 56.400 -0.064 0.000 0.796 2302 E CB 2.001 31.688 29.700 -0.022 0.000 1.104 2302 E HN 0.611 nan 8.360 nan 0.000 0.395 2303 I N 2.970 123.485 120.570 -0.091 0.000 2.328 2303 I HA 0.123 4.291 4.170 -0.002 0.000 0.287 2303 I C -0.117 175.935 176.117 -0.108 0.000 1.012 2303 I CA -0.321 60.917 61.300 -0.104 0.000 1.195 2303 I CB 1.000 38.922 38.000 -0.130 0.000 1.350 2303 I HN 0.542 nan 8.210 nan 0.000 0.464 2304 D N 6.487 126.841 120.400 -0.076 0.000 2.428 2304 D HA 0.039 4.677 4.640 -0.002 0.000 0.221 2304 D C 1.035 177.298 176.300 -0.062 0.000 1.123 2304 D CA -0.095 53.868 54.000 -0.062 0.000 0.869 2304 D CB 1.257 42.037 40.800 -0.033 0.000 1.032 2304 D HN 0.635 nan 8.370 nan 0.000 0.506 2305 E N 3.095 123.244 120.200 -0.084 0.000 2.085 2305 E HA -0.238 4.111 4.350 -0.002 0.000 0.194 2305 E C 1.562 178.154 176.600 -0.013 0.000 0.994 2305 E CA 1.186 57.553 56.400 -0.054 0.000 0.801 2305 E CB 0.160 29.823 29.700 -0.061 0.000 0.743 2305 E HN 0.574 nan 8.360 nan 0.000 0.453 2306 A N -0.129 122.686 122.820 -0.009 0.000 2.067 2306 A HA -0.087 4.232 4.320 -0.002 0.000 0.219 2306 A C 2.174 179.758 177.584 0.000 0.000 1.158 2306 A CA 1.647 53.686 52.037 0.004 0.000 0.661 2306 A CB -0.299 18.704 19.000 0.006 0.000 0.801 2306 A HN 0.301 nan 8.150 nan 0.000 0.452 2307 T N -0.791 113.758 114.554 -0.008 0.000 2.983 2307 T HA -0.040 4.309 4.350 -0.002 0.000 0.250 2307 T C 2.132 176.826 174.700 -0.008 0.000 1.037 2307 T CA 1.653 63.748 62.100 -0.008 0.000 1.142 2307 T CB -0.232 68.629 68.868 -0.011 0.000 0.876 2307 T HN 0.739 nan 8.240 nan 0.000 0.455 2308 T N -0.851 113.694 114.554 -0.016 0.000 3.054 2308 T HA 0.325 4.674 4.350 -0.002 0.000 0.259 2308 T C 1.941 176.638 174.700 -0.005 0.000 1.092 2308 T CA 0.927 63.017 62.100 -0.016 0.000 1.121 2308 T CB -0.311 68.538 68.868 -0.031 0.000 0.912 2308 T HN 0.497 nan 8.240 nan 0.000 0.489 2309 G N 1.294 110.095 108.800 0.002 0.000 2.148 2309 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.254 2309 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.254 2309 G C -0.049 174.867 174.900 0.026 0.000 0.981 2309 G CA 0.370 45.480 45.100 0.017 0.000 0.670 2309 G HN 0.792 nan 8.290 nan 0.000 0.528 2310 I N 0.205 120.782 120.570 0.012 0.000 2.569 2310 I HA 0.451 4.620 4.170 -0.002 0.000 0.290 2310 I C 0.043 176.167 176.117 0.013 0.000 1.088 2310 I CA -1.225 60.084 61.300 0.015 0.000 1.047 2310 I CB 1.489 39.480 38.000 -0.015 0.000 1.237 2310 I HN 0.170 nan 8.210 nan 0.000 0.421 2311 H N 7.008 126.053 119.070 -0.043 0.000 2.652 2311 H HA 0.186 4.741 4.556 -0.002 0.000 0.349 2311 H C 0.927 176.212 175.328 -0.072 0.000 1.099 2311 H CA 0.376 56.398 56.048 -0.044 0.000 1.417 2311 H CB 1.348 31.095 29.762 -0.026 0.000 1.457 2311 H HN 0.703 nan 8.280 nan 0.000 0.568 2312 R N 2.905 123.225 120.500 -0.301 0.000 2.134 2312 R HA -0.206 4.133 4.340 -0.002 0.000 0.248 2312 R C 0.762 177.121 176.300 0.097 0.000 1.143 2312 R CA 2.265 58.306 56.100 -0.097 0.000 0.957 2312 R CB -0.303 29.899 30.300 -0.165 0.000 0.867 2312 R HN 0.712 nan 8.270 nan 0.000 0.441 2313 D N 0.621 121.267 120.400 0.410 0.000 2.104 2313 D HA -0.194 4.445 4.640 -0.002 0.000 0.194 2313 D C 1.877 178.153 176.300 -0.040 0.000 0.994 2313 D CA 0.997 55.065 54.000 0.114 0.000 0.830 2313 D CB -0.376 40.418 40.800 -0.009 0.000 0.959 2313 D HN 0.209 nan 8.370 nan 0.000 0.452 2314 L N 0.488 121.672 121.223 -0.066 0.000 2.291 2314 L HA -0.066 4.272 4.340 -0.002 0.000 0.214 2314 L C 2.035 178.711 176.870 -0.323 0.000 1.120 2314 L CA 0.908 55.594 54.840 -0.256 0.000 0.799 2314 L CB -0.051 41.835 42.059 -0.288 0.000 0.925 2314 L HN -0.145 nan 8.230 nan 0.000 0.446 2315 V N -0.743 119.053 119.914 -0.197 0.000 2.453 2315 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 2315 V C 2.520 178.477 176.094 -0.228 0.000 1.048 2315 V CA 1.906 64.075 62.300 -0.218 0.000 1.049 2315 V CB -0.514 31.220 31.823 -0.149 0.000 0.672 2315 V HN 0.397 nan 8.190 nan 0.000 0.457 2316 M N -0.466 119.029 119.600 -0.174 0.000 2.080 2316 M HA -0.237 4.241 4.480 -0.002 0.000 0.260 2316 M C 2.254 178.446 176.300 -0.181 0.000 1.068 2316 M CA 1.999 57.207 55.300 -0.154 0.000 1.109 2316 M CB -0.642 31.895 32.600 -0.106 0.000 1.342 2316 M HN 0.391 nan 8.290 nan 0.000 0.405 2317 E N -0.095 119.979 120.200 -0.211 0.000 2.051 2317 E HA -0.167 4.182 4.350 -0.002 0.000 0.192 2317 E C 2.062 178.456 176.600 -0.344 0.000 0.991 2317 E CA 1.423 57.708 56.400 -0.192 0.000 0.799 2317 E CB -0.110 29.509 29.700 -0.135 0.000 0.748 2317 E HN 0.294 nan 8.360 nan 0.000 0.449 2318 V N 1.743 121.262 119.914 -0.659 0.000 2.261 2318 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 2318 V C 2.377 178.277 176.094 -0.324 0.000 1.047 2318 V CA 1.506 63.379 62.300 -0.713 0.000 1.015 2318 V CB -0.506 30.894 31.823 -0.705 0.000 0.642 2318 V HN 0.305 nan 8.190 nan 0.000 0.446 2319 L N -0.589 120.474 121.223 -0.268 0.000 2.083 2319 L HA -0.209 4.129 4.340 -0.002 0.000 0.209 2319 L C 2.611 179.349 176.870 -0.220 0.000 1.083 2319 L CA 1.732 56.448 54.840 -0.207 0.000 0.752 2319 L CB -0.762 41.189 42.059 -0.180 0.000 0.899 2319 L HN 0.349 nan 8.230 nan 0.000 0.433 2320 K N 0.253 120.519 120.400 -0.224 0.000 2.063 2320 K HA -0.177 4.141 4.320 -0.002 0.000 0.208 2320 K C 2.161 178.619 176.600 -0.237 0.000 1.048 2320 K CA 1.539 57.653 56.287 -0.289 0.000 0.928 2320 K CB -0.211 32.185 32.500 -0.173 0.000 0.713 2320 K HN 0.284 nan 8.250 nan 0.000 0.442 2321 A N 0.842 123.613 122.820 -0.081 0.000 2.067 2321 A HA -0.153 4.165 4.320 -0.002 0.000 0.219 2321 A C 1.725 179.290 177.584 -0.033 0.000 1.158 2321 A CA 1.394 53.432 52.037 0.001 0.000 0.661 2321 A CB -0.161 18.931 19.000 0.155 0.000 0.801 2321 A HN 0.197 nan 8.150 nan 0.000 0.452 2322 E N -1.548 118.602 120.200 -0.084 0.000 2.489 2322 E HA 0.291 4.640 4.350 -0.002 0.000 0.193 2322 E C 1.070 177.629 176.600 -0.069 0.000 1.057 2322 E CA 0.730 57.093 56.400 -0.063 0.000 0.866 2322 E CB -0.027 29.623 29.700 -0.083 0.000 0.916 2322 E HN 0.686 nan 8.360 nan 0.000 0.500 2323 G N -0.443 108.271 108.800 -0.142 0.000 2.159 2323 G HA2 -0.223 3.735 3.960 -0.002 0.000 0.227 2323 G HA3 -0.223 3.735 3.960 -0.002 0.000 0.227 2323 G C -0.072 174.746 174.900 -0.138 0.000 0.986 2323 G CA 0.171 45.218 45.100 -0.090 0.000 0.651 2323 G HN 0.132 nan 8.290 nan 0.000 0.523 2324 V N 2.157 121.909 119.914 -0.270 0.000 2.294 2324 V HA 0.494 4.613 4.120 -0.002 0.000 0.272 2324 V C -0.048 175.901 176.094 -0.241 0.000 1.027 2324 V CA -0.975 61.228 62.300 -0.161 0.000 0.823 2324 V CB 0.583 32.328 31.823 -0.129 0.000 1.030 2324 V HN 0.375 nan 8.190 nan 0.000 0.457 2325 H N 2.289 121.346 119.070 -0.021 0.000 2.690 2325 H HA 0.574 5.128 4.556 -0.002 0.000 0.289 2325 H C 0.702 176.008 175.328 -0.036 0.000 1.089 2325 H CA -0.309 55.726 56.048 -0.022 0.000 1.299 2325 H CB 0.762 30.524 29.762 0.001 0.000 1.405 2325 H HN 0.740 nan 8.280 nan 0.000 0.463 2326 T N 1.130 115.688 114.554 0.006 0.000 2.919 2326 T HA 0.755 5.103 4.350 -0.002 0.000 0.282 2326 T C -0.021 174.606 174.700 -0.122 0.000 1.020 2326 T CA -1.247 60.815 62.100 -0.063 0.000 0.994 2326 T CB 1.978 70.780 68.868 -0.109 0.000 1.180 2326 T HN 0.407 nan 8.240 nan 0.000 0.566 2327 R N -0.647 119.704 120.500 -0.248 0.000 2.643 2327 R HA 0.635 4.974 4.340 -0.002 0.000 0.269 2327 R C -1.334 174.638 176.300 -0.547 0.000 1.037 2327 R CA -0.815 55.023 56.100 -0.437 0.000 0.894 2327 R CB 2.221 32.105 30.300 -0.694 0.000 1.238 2327 R HN 0.923 nan 8.270 nan 0.000 0.459 2328 A N 2.848 125.397 122.820 -0.451 0.000 2.527 2328 A HA 0.391 4.710 4.320 -0.002 0.000 0.313 2328 A C -0.889 176.450 177.584 -0.408 0.000 1.410 2328 A CA -0.169 51.678 52.037 -0.317 0.000 1.060 2328 A CB -0.368 18.555 19.000 -0.127 0.000 1.137 2328 A HN 0.601 nan 8.150 nan 0.000 0.542 2329 Y N 2.341 122.464 120.300 -0.296 0.000 2.504 2329 Y HA 0.449 4.998 4.550 -0.002 0.000 0.339 2329 Y C -0.631 174.930 175.900 -0.565 0.000 0.974 2329 Y CA -0.336 57.255 58.100 -0.849 0.000 1.232 2329 Y CB 0.601 38.390 38.460 -1.118 0.000 1.108 2329 Y HN 0.608 nan 8.280 nan 0.000 0.509 2330 F N 1.263 121.394 119.950 0.303 0.000 2.520 2330 F HA 0.573 5.098 4.527 -0.003 0.000 0.322 2330 F C 0.023 175.889 175.800 0.111 0.000 1.103 2330 F CA -0.870 57.262 58.000 0.220 0.000 0.926 2330 F CB 2.252 41.347 39.000 0.159 0.000 1.154 2330 F HN 0.150 nan 8.300 nan 0.000 0.453 2331 S N 3.580 119.425 115.700 0.241 0.000 2.614 2331 S HA 0.725 5.194 4.470 -0.002 0.000 0.275 2331 S C -2.628 172.029 174.600 0.095 0.000 1.161 2331 S CA -0.942 57.334 58.200 0.127 0.000 0.969 2331 S CB 1.159 64.405 63.200 0.077 0.000 1.059 2331 S HN 0.489 nan 8.310 nan 0.000 0.482 2332 P HA 0.570 nan 4.420 nan 0.000 0.325 2332 P C 0.382 177.674 177.300 -0.015 0.000 1.298 2332 P CA -0.453 62.654 63.100 0.012 0.000 0.771 2332 P CB -0.153 31.512 31.700 -0.059 0.000 1.389 2333 G N -1.073 107.696 108.800 -0.051 0.000 2.630 2333 G HA2 0.046 4.004 3.960 -0.002 0.000 0.236 2333 G HA3 0.046 4.004 3.960 -0.002 0.000 0.236 2333 G C 1.145 175.898 174.900 -0.244 0.000 1.248 2333 G CA -0.385 44.678 45.100 -0.062 0.000 0.844 2333 G HN 0.570 nan 8.290 nan 0.000 0.588 2334 C N 0.922 119.987 119.300 -0.392 0.000 2.422 2334 C HA -0.084 4.375 4.460 -0.002 0.000 0.279 2334 C C 2.558 177.245 174.990 -0.505 0.000 1.305 2334 C CA 1.132 59.854 59.018 -0.493 0.000 1.757 2334 C CB -1.212 26.208 27.740 -0.533 0.000 1.962 2334 C HN 0.886 nan 8.230 nan 0.000 0.499 2335 H N 1.455 119.920 119.070 -1.008 0.000 2.492 2335 H HA -0.089 4.466 4.556 -0.003 0.000 0.296 2335 H C 1.127 176.356 175.328 -0.166 0.000 1.095 2335 H CA 1.480 57.074 56.048 -0.757 0.000 1.281 2335 H CB -0.745 28.447 29.762 -0.949 0.000 1.374 2335 H HN 0.604 nan 8.280 nan 0.000 0.545 2336 E N 0.767 120.602 120.200 -0.609 0.000 2.463 2336 E HA 0.251 4.599 4.350 -0.002 0.000 0.193 2336 E C 0.134 176.667 176.600 -0.111 0.000 1.041 2336 E CA -0.226 55.961 56.400 -0.355 0.000 0.879 2336 E CB 0.594 30.014 29.700 -0.468 0.000 0.997 2336 E HN 0.389 nan 8.360 nan 0.000 0.478 2337 L N 1.757 122.978 121.223 -0.005 0.000 2.343 2337 L HA 0.246 4.584 4.340 -0.002 0.000 0.275 2337 L C 0.614 177.537 176.870 0.088 0.000 1.056 2337 L CA -0.758 54.129 54.840 0.078 0.000 0.804 2337 L CB 1.205 43.330 42.059 0.111 0.000 1.203 2337 L HN -0.054 nan 8.230 nan 0.000 0.440 2338 E N 3.041 123.248 120.200 0.012 0.000 2.338 2338 E HA 0.126 4.475 4.350 -0.002 0.000 0.272 2338 E C -1.689 174.765 176.600 -0.243 0.000 1.029 2338 E CA -1.531 54.815 56.400 -0.089 0.000 0.872 2338 E CB 1.073 30.744 29.700 -0.049 0.000 1.015 2338 E HN 0.350 nan 8.360 nan 0.000 0.417 2339 P HA -0.015 nan 4.420 nan 0.000 0.240 2339 P C 0.769 177.892 177.300 -0.295 0.000 1.190 2339 P CA 0.670 63.539 63.100 -0.385 0.000 0.781 2339 P CB 0.027 31.524 31.700 -0.339 0.000 0.931 2340 Y N 0.703 121.140 120.300 0.228 0.000 2.151 2340 Y HA -0.159 4.390 4.550 -0.002 0.000 0.284 2340 Y C 1.679 177.806 175.900 0.378 0.000 1.166 2340 Y CA 0.217 58.537 58.100 0.366 0.000 1.163 2340 Y CB -1.124 37.628 38.460 0.487 0.000 0.974 2340 Y HN -0.132 nan 8.280 nan 0.000 0.511 2341 R N 0.913 121.590 120.500 0.296 0.000 2.566 2341 R HA 0.055 4.394 4.340 -0.002 0.000 0.273 2341 R C 1.370 177.762 176.300 0.154 0.000 0.981 2341 R CA 1.180 57.397 56.100 0.196 0.000 1.091 2341 R CB -0.107 30.236 30.300 0.072 0.000 0.924 2341 R HN 0.616 nan 8.270 nan 0.000 0.411 2342 G N 2.404 111.290 108.800 0.143 0.000 2.435 2342 G HA2 -0.416 3.542 3.960 -0.002 0.000 0.245 2342 G HA3 -0.416 3.542 3.960 -0.002 0.000 0.245 2342 G C 0.073 175.000 174.900 0.044 0.000 1.073 2342 G CA 0.708 45.854 45.100 0.077 0.000 0.638 2342 G HN 0.815 nan 8.290 nan 0.000 0.521 2343 Q N 1.489 121.321 119.800 0.053 0.000 2.396 2343 Q HA 0.586 4.925 4.340 -0.002 0.000 0.221 2343 Q C -2.603 173.179 176.000 -0.363 0.000 1.025 2343 Q CA -1.448 54.305 55.803 -0.084 0.000 0.946 2343 Q CB 0.521 29.244 28.738 -0.026 0.000 1.224 2343 Q HN 0.304 nan 8.270 nan 0.000 0.539 2344 P HA 0.203 nan 4.420 nan 0.000 0.281 2344 P C -1.194 175.797 177.300 -0.515 0.000 1.252 2344 P CA 0.171 63.069 63.100 -0.337 0.000 0.778 2344 P CB 0.694 32.310 31.700 -0.141 0.000 0.895 2345 H N 0.092 119.220 119.070 0.096 0.000 2.977 2345 H HA 0.577 5.132 4.556 -0.002 0.000 0.350 2345 H C -0.197 175.155 175.328 0.040 0.000 1.238 2345 H CA -0.962 55.144 56.048 0.096 0.000 1.124 2345 H CB 1.351 31.219 29.762 0.177 0.000 1.866 2345 H HN 0.447 nan 8.280 nan 0.000 0.550 2346 A N 1.609 124.523 122.820 0.156 0.000 2.310 2346 A HA 0.365 4.684 4.320 -0.002 0.000 0.260 2346 A C -2.033 175.567 177.584 0.027 0.000 1.112 2346 A CA -1.092 50.979 52.037 0.057 0.000 0.804 2346 A CB -0.814 18.201 19.000 0.025 0.000 1.081 2346 A HN 0.445 nan 8.150 nan 0.000 0.499 2347 P HA 0.369 nan 4.420 nan 0.000 0.275 2347 P C -0.988 176.251 177.300 -0.102 0.000 1.227 2347 P CA 0.232 63.306 63.100 -0.043 0.000 0.781 2347 P CB 0.492 32.164 31.700 -0.047 0.000 0.906 2348 L N 4.513 125.641 121.223 -0.158 0.000 2.725 2348 L HA 0.257 4.596 4.340 -0.002 0.000 0.270 2348 L C -1.519 175.250 176.870 -0.168 0.000 1.422 2348 L CA -1.313 53.394 54.840 -0.222 0.000 0.770 2348 L CB 1.442 43.224 42.059 -0.461 0.000 1.081 2348 L HN 0.205 nan 8.230 nan 0.000 0.527 2349 P HA -0.169 nan 4.420 nan 0.000 0.217 2349 P C 1.213 178.440 177.300 -0.122 0.000 1.150 2349 P CA 1.431 64.427 63.100 -0.174 0.000 0.832 2349 P CB 0.184 31.721 31.700 -0.271 0.000 0.787 2350 H N -0.314 118.743 119.070 -0.022 0.000 2.321 2350 H HA -0.043 4.511 4.556 -0.002 0.000 0.300 2350 H C 2.038 177.357 175.328 -0.016 0.000 1.087 2350 H CA 1.819 57.858 56.048 -0.015 0.000 1.319 2350 H CB -1.500 28.248 29.762 -0.022 0.000 1.379 2350 H HN 0.097 nan 8.280 nan 0.000 0.501 2351 T N 1.446 116.049 114.554 0.082 0.000 2.665 2351 T HA -0.148 4.201 4.350 -0.002 0.000 0.268 2351 T C 1.888 176.624 174.700 0.060 0.000 1.035 2351 T CA 1.656 63.772 62.100 0.027 0.000 1.151 2351 T CB -0.101 68.725 68.868 -0.068 0.000 0.862 2351 T HN 0.512 nan 8.240 nan 0.000 0.438 2352 E N 0.538 120.776 120.200 0.064 0.000 2.077 2352 E HA -0.125 4.223 4.350 -0.002 0.000 0.193 2352 E C 2.489 179.131 176.600 0.070 0.000 0.989 2352 E CA 0.734 57.186 56.400 0.087 0.000 0.800 2352 E CB -0.146 29.608 29.700 0.090 0.000 0.746 2352 E HN 0.351 nan 8.360 nan 0.000 0.452 2353 R N 0.661 121.201 120.500 0.066 0.000 2.070 2353 R HA -0.173 4.165 4.340 -0.002 0.000 0.232 2353 R C 2.492 178.830 176.300 0.063 0.000 1.138 2353 R CA 1.157 57.296 56.100 0.064 0.000 0.936 2353 R CB -0.361 29.988 30.300 0.082 0.000 0.839 2353 R HN 0.106 nan 8.270 nan 0.000 0.429 2354 L N 0.857 122.129 121.223 0.081 0.000 1.989 2354 L HA -0.143 4.195 4.340 -0.002 0.000 0.211 2354 L C 2.275 179.200 176.870 0.093 0.000 1.071 2354 L CA 2.282 57.176 54.840 0.090 0.000 0.749 2354 L CB -1.090 41.023 42.059 0.090 0.000 0.890 2354 L HN 0.299 nan 8.230 nan 0.000 0.431 2355 A N -0.549 122.324 122.820 0.088 0.000 1.917 2355 A HA -0.186 4.132 4.320 -0.002 0.000 0.219 2355 A C 2.325 179.952 177.584 0.072 0.000 1.182 2355 A CA 2.063 54.156 52.037 0.093 0.000 0.633 2355 A CB -1.182 17.871 19.000 0.089 0.000 0.819 2355 A HN 0.606 nan 8.150 nan 0.000 0.448 2356 A N -1.287 121.566 122.820 0.055 0.000 2.209 2356 A HA 0.074 4.392 4.320 -0.002 0.000 0.212 2356 A C 2.059 179.612 177.584 -0.050 0.000 1.158 2356 A CA 1.140 53.197 52.037 0.032 0.000 0.742 2356 A CB -0.238 18.786 19.000 0.040 0.000 0.790 2356 A HN 0.577 nan 8.150 nan 0.000 0.472 2357 R N -0.828 119.657 120.500 -0.024 0.000 2.287 2357 R HA 0.140 4.479 4.340 -0.002 0.000 0.197 2357 R C 0.598 176.869 176.300 -0.047 0.000 0.900 2357 R CA 0.541 56.603 56.100 -0.063 0.000 1.052 2357 R CB 0.016 30.298 30.300 -0.030 0.000 1.117 2357 R HN 0.401 nan 8.270 nan 0.000 0.568 2358 V N 0.736 120.657 119.914 0.011 0.000 2.763 2358 V HA 0.264 4.383 4.120 -0.002 0.000 0.306 2358 V C -0.266 175.780 176.094 -0.081 0.000 1.059 2358 V CA -0.374 61.925 62.300 -0.001 0.000 1.138 2358 V CB 0.821 32.730 31.823 0.144 0.000 0.940 2358 V HN 0.000 nan 8.190 nan 0.000 0.489 2359 L N 3.874 125.011 121.223 -0.142 0.000 2.505 2359 L HA 0.612 4.951 4.340 -0.002 0.000 0.266 2359 L C -0.183 176.552 176.870 -0.226 0.000 0.954 2359 L CA 0.225 54.956 54.840 -0.181 0.000 0.852 2359 L CB 2.115 44.079 42.059 -0.158 0.000 1.282 2359 L HN 0.883 nan 8.230 nan 0.000 0.403 2360 S N 4.611 120.175 115.700 -0.227 0.000 2.457 2360 S HA 0.749 5.218 4.470 -0.002 0.000 0.289 2360 S C -0.542 173.971 174.600 -0.146 0.000 1.163 2360 S CA -0.452 57.645 58.200 -0.172 0.000 1.078 2360 S CB 0.388 63.552 63.200 -0.060 0.000 0.987 2360 S HN 0.520 nan 8.310 nan 0.000 0.482 2361 L N 5.280 126.401 121.223 -0.171 0.000 2.331 2361 L HA 0.523 4.861 4.340 -0.002 0.000 0.275 2361 L C -2.196 174.646 176.870 -0.047 0.000 1.022 2361 L CA -2.682 52.050 54.840 -0.180 0.000 0.812 2361 L CB 1.356 43.129 42.059 -0.477 0.000 1.257 2361 L HN 0.389 nan 8.230 nan 0.000 0.435 2362 P HA 0.099 nan 4.420 nan 0.000 0.265 2362 P C -0.470 176.944 177.300 0.191 0.000 1.193 2362 P CA 0.235 63.402 63.100 0.112 0.000 0.765 2362 P CB 1.122 32.889 31.700 0.112 0.000 0.823 2363 T N 0.535 115.173 114.554 0.140 0.000 2.612 2363 T HA 0.697 5.046 4.350 -0.002 0.000 0.296 2363 T C -0.501 174.252 174.700 0.088 0.000 1.148 2363 T CA 0.366 62.557 62.100 0.151 0.000 1.077 2363 T CB 0.763 69.737 68.868 0.177 0.000 1.591 2363 T HN 0.695 nan 8.240 nan 0.000 0.479 2364 G N 0.118 108.964 108.800 0.076 0.000 2.631 2364 G HA2 -0.097 3.861 3.960 -0.002 0.000 0.504 2364 G HA3 -0.097 3.861 3.960 -0.002 0.000 0.504 2364 G C 0.825 175.753 174.900 0.047 0.000 1.306 2364 G CA 0.765 45.897 45.100 0.053 0.000 0.897 2364 G HN 1.626 nan 8.290 nan 0.000 0.520 2365 T N -2.095 112.482 114.554 0.038 0.000 2.929 2365 T HA 0.242 4.590 4.350 -0.002 0.000 0.271 2365 T C 2.391 177.107 174.700 0.027 0.000 1.085 2365 T CA 2.218 64.336 62.100 0.030 0.000 1.125 2365 T CB -0.151 68.733 68.868 0.025 0.000 0.874 2365 T HN 2.052 nan 8.240 nan 0.000 0.494 2366 A N 0.903 123.741 122.820 0.031 0.000 2.169 2366 A HA 0.377 4.695 4.320 -0.002 0.000 0.212 2366 A C 0.968 178.570 177.584 0.031 0.000 1.153 2366 A CA -0.001 52.054 52.037 0.031 0.000 0.756 2366 A CB -0.237 18.784 19.000 0.034 0.000 0.813 2366 A HN 0.528 nan 8.150 nan 0.000 0.471 2367 I N 1.039 121.629 120.570 0.033 0.000 2.312 2367 I HA 0.351 4.520 4.170 -0.002 0.000 0.291 2367 I C 0.801 176.916 176.117 -0.004 0.000 1.031 2367 I CA 0.032 61.345 61.300 0.022 0.000 1.293 2367 I CB 0.379 38.408 38.000 0.048 0.000 1.403 2367 I HN 0.133 nan 8.210 nan 0.000 0.484 2368 G N 4.038 112.828 108.800 -0.017 0.000 2.491 2368 G HA2 0.164 4.123 3.960 -0.002 0.000 0.327 2368 G HA3 0.164 4.123 3.960 -0.002 0.000 0.327 2368 G C 0.646 175.508 174.900 -0.064 0.000 1.189 2368 G CA -0.324 44.760 45.100 -0.027 0.000 0.956 2368 G HN 0.628 nan 8.290 nan 0.000 0.491 2369 D N -0.269 120.101 120.400 -0.050 0.000 2.149 2369 D HA -0.161 4.477 4.640 -0.002 0.000 0.194 2369 D C 1.647 177.895 176.300 -0.088 0.000 1.001 2369 D CA 1.459 55.429 54.000 -0.049 0.000 0.849 2369 D CB 0.159 40.959 40.800 0.000 0.000 0.939 2369 D HN 0.339 nan 8.370 nan 0.000 0.449 2370 D N 0.674 121.042 120.400 -0.054 0.000 2.123 2370 D HA -0.138 4.501 4.640 -0.002 0.000 0.196 2370 D C 1.651 177.903 176.300 -0.080 0.000 0.992 2370 D CA 0.807 54.781 54.000 -0.044 0.000 0.833 2370 D CB -0.408 40.404 40.800 0.020 0.000 0.954 2370 D HN 0.339 nan 8.370 nan 0.000 0.455 2371 D N 0.342 120.694 120.400 -0.080 0.000 2.117 2371 D HA -0.070 4.569 4.640 -0.002 0.000 0.198 2371 D C 2.367 178.542 176.300 -0.207 0.000 0.982 2371 D CA 0.353 54.286 54.000 -0.111 0.000 0.828 2371 D CB -0.080 40.685 40.800 -0.057 0.000 0.967 2371 D HN 0.271 nan 8.370 nan 0.000 0.464 2372 I N 0.887 121.276 120.570 -0.302 0.000 2.208 2372 I HA -0.264 3.905 4.170 -0.002 0.000 0.245 2372 I C 2.725 178.571 176.117 -0.451 0.000 1.097 2372 I CA 0.955 61.928 61.300 -0.545 0.000 1.363 2372 I CB -0.215 37.377 38.000 -0.681 0.000 1.051 2372 I HN -0.059 nan 8.210 nan 0.000 0.413 2373 R N 0.756 120.958 120.500 -0.496 0.000 2.083 2373 R HA -0.216 4.123 4.340 -0.002 0.000 0.237 2373 R C 2.512 178.625 176.300 -0.312 0.000 1.137 2373 R CA 1.886 57.651 56.100 -0.559 0.000 0.951 2373 R CB -0.378 29.654 30.300 -0.447 0.000 0.851 2373 R HN 0.387 nan 8.270 nan 0.000 0.434 2374 R N 0.583 120.917 120.500 -0.275 0.000 2.091 2374 R HA -0.117 4.222 4.340 -0.002 0.000 0.238 2374 R C 2.169 178.306 176.300 -0.272 0.000 1.136 2374 R CA 1.842 57.738 56.100 -0.340 0.000 0.959 2374 R CB -0.699 29.205 30.300 -0.660 0.000 0.856 2374 R HN 0.214 nan 8.270 nan 0.000 0.437 2375 V N 0.839 120.641 119.914 -0.187 0.000 2.270 2375 V HA -0.106 4.013 4.120 -0.002 0.000 0.245 2375 V C 2.362 178.432 176.094 -0.040 0.000 1.043 2375 V CA 2.083 64.339 62.300 -0.075 0.000 1.014 2375 V CB -0.617 31.250 31.823 0.074 0.000 0.645 2375 V HN 0.503 nan 8.190 nan 0.000 0.447 2376 A N -0.129 122.682 122.820 -0.014 0.000 1.865 2376 A HA -0.260 4.058 4.320 -0.002 0.000 0.217 2376 A C 1.967 179.523 177.584 -0.047 0.000 1.191 2376 A CA 2.193 54.232 52.037 0.004 0.000 0.623 2376 A CB -1.087 17.925 19.000 0.020 0.000 0.826 2376 A HN 0.635 nan 8.150 nan 0.000 0.444 2377 D N -0.196 120.149 120.400 -0.092 0.000 2.149 2377 D HA -0.123 4.515 4.640 -0.002 0.000 0.198 2377 D C 1.893 178.155 176.300 -0.064 0.000 0.990 2377 D CA 0.864 54.822 54.000 -0.070 0.000 0.839 2377 D CB -0.314 40.442 40.800 -0.074 0.000 0.948 2377 D HN 0.442 nan 8.370 nan 0.000 0.460 2378 L N 0.020 121.189 121.223 -0.090 0.000 2.027 2378 L HA -0.138 4.201 4.340 -0.002 0.000 0.206 2378 L C 2.453 179.276 176.870 -0.077 0.000 1.074 2378 L CA 0.711 55.496 54.840 -0.091 0.000 0.745 2378 L CB -0.195 41.789 42.059 -0.126 0.000 0.898 2378 L HN 0.062 nan 8.230 nan 0.000 0.433 2379 L N -0.823 120.359 121.223 -0.068 0.000 2.046 2379 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 2379 L C 2.744 179.585 176.870 -0.048 0.000 1.077 2379 L CA 1.113 55.914 54.840 -0.065 0.000 0.747 2379 L CB -0.553 41.472 42.059 -0.056 0.000 0.896 2379 L HN 0.254 nan 8.230 nan 0.000 0.432 2380 R N 0.524 121.004 120.500 -0.033 0.000 2.103 2380 R HA -0.246 4.092 4.340 -0.002 0.000 0.242 2380 R C 2.352 178.640 176.300 -0.020 0.000 1.142 2380 R CA 1.807 57.894 56.100 -0.021 0.000 0.960 2380 R CB -0.337 29.956 30.300 -0.012 0.000 0.858 2380 R HN 0.251 nan 8.270 nan 0.000 0.439 2381 L N 0.295 121.504 121.223 -0.022 0.000 1.994 2381 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 2381 L C 2.297 179.159 176.870 -0.014 0.000 1.071 2381 L CA 1.895 56.729 54.840 -0.011 0.000 0.745 2381 L CB -0.564 41.491 42.059 -0.007 0.000 0.892 2381 L HN 0.299 nan 8.230 nan 0.000 0.431 2382 C N -0.055 119.223 119.300 -0.038 0.000 2.413 2382 C HA -0.111 4.348 4.460 -0.002 0.000 0.277 2382 C C 2.890 177.859 174.990 -0.034 0.000 1.265 2382 C CA 0.784 59.773 59.018 -0.049 0.000 1.752 2382 C CB -1.678 26.006 27.740 -0.093 0.000 1.998 2382 C HN 0.716 nan 8.230 nan 0.000 0.489 2383 A N 0.226 123.025 122.820 -0.035 0.000 2.208 2383 A HA -0.003 4.316 4.320 -0.002 0.000 0.209 2383 A C 2.074 179.650 177.584 -0.014 0.000 1.161 2383 A CA 1.652 53.672 52.037 -0.028 0.000 0.782 2383 A CB -0.555 18.424 19.000 -0.035 0.000 0.816 2383 A HN 0.687 nan 8.150 nan 0.000 0.477 2384 T N -4.115 110.434 114.554 -0.008 0.000 3.014 2384 T HA 0.192 4.540 4.350 -0.002 0.000 0.250 2384 T C 1.202 175.906 174.700 0.008 0.000 1.060 2384 T CA 0.216 62.316 62.100 0.000 0.000 1.040 2384 T CB -0.017 68.852 68.868 0.002 0.000 0.971 2384 T HN 0.387 nan 8.240 nan 0.000 0.497 2385 R N 0.453 120.960 120.500 0.012 0.000 2.659 2385 R HA 0.406 4.744 4.340 -0.002 0.000 0.418 2385 R C 2.048 178.368 176.300 0.033 0.000 1.076 2385 R CA -0.028 56.087 56.100 0.026 0.000 1.093 2385 R CB 0.332 30.655 30.300 0.038 0.000 1.400 2385 R HN 0.361 nan 8.270 nan 0.000 0.583 2386 G N 1.626 110.437 108.800 0.019 0.000 2.529 2386 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.219 2386 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.219 2386 G C 1.390 176.316 174.900 0.043 0.000 1.177 2386 G CA 0.836 45.949 45.100 0.021 0.000 0.773 2386 G HN 0.166 nan 8.290 nan 0.000 0.573 2387 R N 0.790 121.313 120.500 0.037 0.000 2.122 2387 R HA -0.062 4.276 4.340 -0.002 0.000 0.236 2387 R C 2.692 179.024 176.300 0.053 0.000 1.129 2387 R CA 1.972 58.098 56.100 0.042 0.000 0.925 2387 R CB -0.810 29.508 30.300 0.030 0.000 0.850 2387 R HN 0.543 nan 8.270 nan 0.000 0.431 2388 E N 0.302 120.530 120.200 0.048 0.000 2.023 2388 E HA -0.197 4.152 4.350 -0.002 0.000 0.196 2388 E C 2.025 178.672 176.600 0.079 0.000 1.003 2388 E CA 1.434 57.861 56.400 0.046 0.000 0.809 2388 E CB -0.432 29.288 29.700 0.034 0.000 0.755 2388 E HN 0.217 nan 8.360 nan 0.000 0.449 2389 L N 0.735 122.028 121.223 0.116 0.000 1.989 2389 L HA -0.250 4.088 4.340 -0.002 0.000 0.211 2389 L C 2.229 179.255 176.870 0.260 0.000 1.071 2389 L CA 1.759 56.734 54.840 0.225 0.000 0.749 2389 L CB -0.432 41.733 42.059 0.176 0.000 0.890 2389 L HN 0.249 nan 8.230 nan 0.000 0.431 2390 T N -0.103 114.549 114.554 0.163 0.000 2.684 2390 T HA -0.219 4.130 4.350 -0.002 0.000 0.267 2390 T C 1.840 176.672 174.700 0.219 0.000 1.036 2390 T CA 1.458 63.665 62.100 0.178 0.000 1.148 2390 T CB -0.392 68.545 68.868 0.116 0.000 0.863 2390 T HN 0.573 nan 8.240 nan 0.000 0.436 2391 A N 1.535 124.440 122.820 0.142 0.000 1.902 2391 A HA -0.103 4.215 4.320 -0.002 0.000 0.217 2391 A C 2.282 179.923 177.584 0.094 0.000 1.181 2391 A CA 1.929 54.026 52.037 0.100 0.000 0.623 2391 A CB -0.608 18.426 19.000 0.057 0.000 0.818 2391 A HN 0.471 nan 8.150 nan 0.000 0.443 2392 R N -0.992 119.564 120.500 0.093 0.000 2.081 2392 R HA -0.209 4.129 4.340 -0.002 0.000 0.235 2392 R C 2.230 178.609 176.300 0.132 0.000 1.131 2392 R CA 1.756 57.862 56.100 0.010 0.000 0.960 2392 R CB -0.648 29.538 30.300 -0.189 0.000 0.856 2392 R HN 0.826 nan 8.270 nan 0.000 0.436 2393 H N 1.086 120.319 119.070 0.273 0.000 2.251 2393 H HA -0.147 4.408 4.556 -0.002 0.000 0.294 2393 H C 0.951 176.403 175.328 0.206 0.000 1.078 2393 H CA 2.037 58.325 56.048 0.400 0.000 1.246 2393 H CB -0.134 29.880 29.762 0.419 0.000 1.358 2393 H HN 0.174 nan 8.280 nan 0.000 0.488 2394 R N 1.542 121.977 120.500 -0.107 0.000 2.460 2394 R HA -0.062 4.277 4.340 -0.002 0.000 0.214 2394 R C -0.341 175.896 176.300 -0.106 0.000 1.255 2394 R CA 0.361 56.358 56.100 -0.172 0.000 1.229 2394 R CB -0.278 30.017 30.300 -0.007 0.000 0.803 2394 R HN 0.384 nan 8.270 nan 0.000 0.491 2395 D N 0.000 120.345 120.400 -0.092 0.000 6.856 2395 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 2395 D CA 0.000 53.966 54.000 -0.057 0.000 0.868 2395 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 2395 D HN 0.000 nan 8.370 nan 0.000 0.683