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 1y1r_1_C DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQXXXXXXX XMKQTESHAV KIVVEAARRL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.559 176.600 -0.069 0.000 0.988 2003 K CA 0.000 56.253 56.287 -0.056 0.000 0.838 2003 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 2004 S N 1.253 116.902 115.700 -0.085 0.000 2.549 2004 S HA 0.052 4.522 4.470 0.000 0.000 0.286 2004 S C 0.325 174.844 174.600 -0.135 0.000 1.314 2004 S CA 0.202 58.345 58.200 -0.096 0.000 1.062 2004 S CB 0.479 63.613 63.200 -0.110 0.000 0.865 2004 S HN 0.256 nan 8.310 nan 0.000 0.498 2005 D N 1.951 122.287 120.400 -0.107 0.000 2.323 2005 D HA 0.064 4.705 4.640 0.000 0.000 0.209 2005 D C 0.735 176.938 176.300 -0.161 0.000 0.973 2005 D CA 0.709 54.638 54.000 -0.118 0.000 0.874 2005 D CB 0.070 40.833 40.800 -0.063 0.000 0.930 2005 D HN 0.455 nan 8.370 nan 0.000 0.521 2006 V N -2.682 117.143 119.914 -0.149 0.000 2.919 2006 V HA 0.389 4.510 4.120 0.000 0.000 0.316 2006 V C 0.889 176.865 176.094 -0.198 0.000 1.077 2006 V CA -0.898 61.331 62.300 -0.119 0.000 0.977 2006 V CB 1.231 33.061 31.823 0.013 0.000 1.039 2006 V HN -0.219 nan 8.190 nan 0.000 0.441 2007 F N 0.179 120.112 119.950 -0.029 0.000 2.325 2007 F HA 0.055 4.582 4.527 0.000 0.000 0.299 2007 F C 2.020 177.634 175.800 -0.310 0.000 1.090 2007 F CA 2.202 60.104 58.000 -0.163 0.000 1.392 2007 F CB -0.253 38.630 39.000 -0.196 0.000 1.053 2007 F HN 0.714 nan 8.300 nan 0.000 0.521 2008 H N -1.929 117.215 119.070 0.122 0.000 2.521 2008 H HA 0.228 4.784 4.556 0.000 0.000 0.267 2008 H C 1.907 177.293 175.328 0.097 0.000 0.963 2008 H CA 0.359 56.469 56.048 0.103 0.000 1.175 2008 H CB -0.212 29.600 29.762 0.083 0.000 1.450 2008 H HN -0.009 nan 8.280 nan 0.000 0.472 2009 L N 0.098 121.404 121.223 0.139 0.000 2.376 2009 L HA 0.112 4.452 4.340 0.000 0.000 0.219 2009 L C 1.037 178.056 176.870 0.250 0.000 1.133 2009 L CA 0.744 55.686 54.840 0.170 0.000 0.816 2009 L CB -0.418 41.672 42.059 0.052 0.000 0.933 2009 L HN 0.535 nan 8.230 nan 0.000 0.449 2010 G N 1.280 110.137 108.800 0.095 0.000 2.314 2010 G HA2 -0.263 3.697 3.960 0.000 0.000 0.292 2010 G HA3 -0.263 3.697 3.960 0.000 0.000 0.292 2010 G C -0.254 174.700 174.900 0.090 0.000 1.059 2010 G CA 0.126 45.258 45.100 0.052 0.000 0.982 2010 G HN 0.260 nan 8.290 nan 0.000 0.505 2011 L N -0.541 120.705 121.223 0.039 0.000 2.350 2011 L HA 0.874 5.214 4.340 0.000 0.000 0.260 2011 L C 0.618 177.483 176.870 -0.008 0.000 1.015 2011 L CA -0.662 54.192 54.840 0.024 0.000 0.821 2011 L CB 2.495 44.575 42.059 0.034 0.000 1.370 2011 L HN 0.361 nan 8.230 nan 0.000 0.416 2012 T N -3.681 110.866 114.554 -0.011 0.000 2.932 2012 T HA 0.392 4.742 4.350 0.000 0.000 0.289 2012 T C 0.538 175.230 174.700 -0.014 0.000 1.039 2012 T CA -0.930 61.158 62.100 -0.020 0.000 1.024 2012 T CB 2.074 70.928 68.868 -0.024 0.000 1.090 2012 T HN 0.527 nan 8.240 nan 0.000 0.496 2013 K N 0.628 121.020 120.400 -0.014 0.000 2.103 2013 K HA -0.180 4.140 4.320 0.000 0.000 0.207 2013 K C 2.088 178.681 176.600 -0.012 0.000 1.048 2013 K CA 1.646 57.927 56.287 -0.010 0.000 0.930 2013 K CB -0.350 32.145 32.500 -0.009 0.000 0.716 2013 K HN 0.673 nan 8.250 nan 0.000 0.444 2014 N N 1.723 120.414 118.700 -0.014 0.000 2.149 2014 N HA -0.191 4.549 4.740 0.000 0.000 0.188 2014 N C 1.169 176.670 175.510 -0.016 0.000 1.019 2014 N CA 1.723 54.764 53.050 -0.015 0.000 0.857 2014 N CB -0.108 38.369 38.487 -0.017 0.000 0.997 2014 N HN 0.074 nan 8.380 nan 0.000 0.426 2015 D N -0.390 120.000 120.400 -0.016 0.000 2.182 2015 D HA -0.121 4.519 4.640 0.000 0.000 0.201 2015 D C 1.564 177.855 176.300 -0.015 0.000 0.986 2015 D CA 0.713 54.702 54.000 -0.018 0.000 0.847 2015 D CB -0.161 40.630 40.800 -0.015 0.000 0.942 2015 D HN 0.305 nan 8.370 nan 0.000 0.467 2016 L N 0.329 121.545 121.223 -0.012 0.000 2.395 2016 L HA 0.009 4.349 4.340 0.000 0.000 0.218 2016 L C 0.721 177.584 176.870 -0.013 0.000 1.130 2016 L CA 0.510 55.344 54.840 -0.011 0.000 0.826 2016 L CB -0.331 41.719 42.059 -0.014 0.000 0.941 2016 L HN -0.060 nan 8.230 nan 0.000 0.451 2017 Q N -0.112 119.680 119.800 -0.013 0.000 2.468 2017 Q HA -0.263 4.077 4.340 0.000 0.000 0.289 2017 Q C 1.219 177.212 176.000 -0.013 0.000 1.299 2017 Q CA 0.930 56.726 55.803 -0.012 0.000 0.838 2017 Q CB -2.297 26.434 28.738 -0.011 0.000 1.195 2017 Q HN 0.670 nan 8.270 nan 0.000 0.456 2018 G N -1.962 106.829 108.800 -0.015 0.000 2.176 2018 G HA2 -0.252 3.708 3.960 0.000 0.000 0.253 2018 G HA3 -0.252 3.708 3.960 0.000 0.000 0.253 2018 G C 0.359 175.245 174.900 -0.023 0.000 0.979 2018 G CA 0.371 45.461 45.100 -0.017 0.000 0.641 2018 G HN 1.262 nan 8.290 nan 0.000 0.530 2019 A N -0.304 122.500 122.820 -0.027 0.000 2.540 2019 A HA 0.571 4.892 4.320 0.000 0.000 0.239 2019 A C 1.046 178.595 177.584 -0.059 0.000 1.061 2019 A CA 1.410 53.424 52.037 -0.039 0.000 0.758 2019 A CB 0.199 19.177 19.000 -0.036 0.000 0.991 2019 A HN 0.615 nan 8.150 nan 0.000 0.502 2020 Q N 0.783 120.536 119.800 -0.077 0.000 2.140 2020 Q HA 0.331 4.671 4.340 0.000 0.000 0.227 2020 Q C -0.523 175.377 176.000 -0.168 0.000 0.798 2020 Q CA -0.028 55.714 55.803 -0.102 0.000 0.987 2020 Q CB 0.786 29.484 28.738 -0.067 0.000 1.161 2020 Q HN 0.718 nan 8.270 nan 0.000 0.480 2021 L N 0.522 121.648 121.223 -0.161 0.000 2.381 2021 L HA 0.868 5.208 4.340 0.000 0.000 0.268 2021 L C -1.854 174.897 176.870 -0.199 0.000 0.997 2021 L CA -0.694 54.025 54.840 -0.203 0.000 0.818 2021 L CB 1.852 43.840 42.059 -0.119 0.000 1.310 2021 L HN -0.062 nan 8.230 nan 0.000 0.416 2022 A N 5.465 128.124 122.820 -0.268 0.000 2.398 2022 A HA 0.674 4.994 4.320 0.000 0.000 0.301 2022 A C -1.067 176.482 177.584 -0.058 0.000 1.041 2022 A CA -0.513 51.432 52.037 -0.154 0.000 0.711 2022 A CB 1.143 20.036 19.000 -0.179 0.000 1.240 2022 A HN 0.663 nan 8.150 nan 0.000 0.420 2023 I N 2.675 123.243 120.570 -0.002 0.000 2.352 2023 I HA 0.343 4.513 4.170 0.000 0.000 0.290 2023 I C -0.142 176.013 176.117 0.063 0.000 1.036 2023 I CA -0.536 60.781 61.300 0.028 0.000 1.336 2023 I CB 1.573 39.582 38.000 0.014 0.000 1.407 2023 I HN 0.457 nan 8.210 nan 0.000 0.497 2024 V N 5.954 125.923 119.914 0.092 0.000 2.289 2024 V HA 0.497 4.617 4.120 0.000 0.000 0.272 2024 V C -2.471 173.671 176.094 0.079 0.000 1.026 2024 V CA -1.869 60.498 62.300 0.111 0.000 0.807 2024 V CB 0.441 32.368 31.823 0.173 0.000 1.044 2024 V HN 0.477 nan 8.190 nan 0.000 0.443 2025 P HA 0.322 nan 4.420 nan 0.000 0.276 2025 P C 0.883 178.212 177.300 0.048 0.000 1.261 2025 P CA 0.190 63.313 63.100 0.038 0.000 0.800 2025 P CB 2.014 33.723 31.700 0.016 0.000 1.066 2026 G N -0.181 108.638 108.800 0.032 0.000 2.411 2026 G HA2 -0.067 3.893 3.960 0.000 0.000 0.213 2026 G HA3 -0.067 3.893 3.960 0.000 0.000 0.213 2026 G C 0.352 175.263 174.900 0.019 0.000 1.166 2026 G CA 0.402 45.521 45.100 0.031 0.000 0.802 2026 G HN 0.506 nan 8.290 nan 0.000 0.533 2027 D N 0.715 121.118 120.400 0.005 0.000 2.295 2027 D HA 0.211 4.851 4.640 0.000 0.000 0.248 2027 D C -1.100 175.199 176.300 -0.003 0.000 1.154 2027 D CA -2.321 51.674 54.000 -0.009 0.000 0.857 2027 D CB 2.188 42.977 40.800 -0.019 0.000 1.117 2027 D HN 0.028 nan 8.370 nan 0.000 0.468 2028 P HA -0.112 nan 4.420 nan 0.000 0.222 2028 P C 0.468 177.767 177.300 -0.002 0.000 1.147 2028 P CA 0.805 63.916 63.100 0.019 0.000 0.790 2028 P CB 0.425 32.137 31.700 0.020 0.000 0.780 2029 E N -0.384 119.804 120.200 -0.020 0.000 2.463 2029 E HA 0.008 4.358 4.350 0.000 0.000 0.191 2029 E C 1.301 177.861 176.600 -0.066 0.000 1.083 2029 E CA 0.114 56.492 56.400 -0.037 0.000 0.872 2029 E CB 0.105 29.787 29.700 -0.030 0.000 0.966 2029 E HN 0.243 nan 8.360 nan 0.000 0.491 2030 R N -0.510 119.947 120.500 -0.071 0.000 2.487 2030 R HA 0.115 4.455 4.340 0.000 0.000 0.272 2030 R C 1.943 178.163 176.300 -0.134 0.000 0.928 2030 R CA 0.127 56.173 56.100 -0.090 0.000 1.077 2030 R CB 0.133 30.400 30.300 -0.056 0.000 1.265 2030 R HN 0.002 nan 8.270 nan 0.000 0.537 2031 V N 1.642 121.469 119.914 -0.144 0.000 2.295 2031 V HA -0.236 3.884 4.120 0.000 0.000 0.246 2031 V C 2.427 178.234 176.094 -0.479 0.000 1.049 2031 V CA 2.202 64.383 62.300 -0.197 0.000 1.024 2031 V CB -0.346 31.431 31.823 -0.076 0.000 0.648 2031 V HN 0.351 nan 8.190 nan 0.000 0.447 2032 E N 0.117 119.869 120.200 -0.748 0.000 2.110 2032 E HA -0.243 4.107 4.350 0.000 0.000 0.193 2032 E C 2.257 178.482 176.600 -0.626 0.000 0.988 2032 E CA 1.231 56.916 56.400 -1.191 0.000 0.804 2032 E CB -0.028 29.008 29.700 -1.106 0.000 0.745 2032 E HN 0.575 nan 8.360 nan 0.000 0.458 2033 K N 0.162 120.342 120.400 -0.367 0.000 2.097 2033 K HA -0.126 4.194 4.320 0.000 0.000 0.206 2033 K C 2.179 178.672 176.600 -0.179 0.000 1.049 2033 K CA 1.393 57.547 56.287 -0.222 0.000 0.933 2033 K CB -0.079 32.332 32.500 -0.149 0.000 0.717 2033 K HN 0.248 nan 8.250 nan 0.000 0.442 2034 I N 0.777 121.241 120.570 -0.176 0.000 2.233 2034 I HA -0.219 3.951 4.170 0.000 0.000 0.243 2034 I C 2.500 178.553 176.117 -0.106 0.000 1.093 2034 I CA 0.974 62.207 61.300 -0.111 0.000 1.380 2034 I CB -0.392 37.560 38.000 -0.080 0.000 1.067 2034 I HN 0.108 nan 8.210 nan 0.000 0.413 2035 A N 0.882 123.608 122.820 -0.156 0.000 1.972 2035 A HA -0.143 4.177 4.320 0.000 0.000 0.219 2035 A C 2.496 180.042 177.584 -0.064 0.000 1.169 2035 A CA 1.692 53.684 52.037 -0.076 0.000 0.635 2035 A CB -0.752 18.227 19.000 -0.034 0.000 0.810 2035 A HN 0.442 nan 8.150 nan 0.000 0.446 2036 A N -0.280 122.454 122.820 -0.144 0.000 2.070 2036 A HA -0.005 4.315 4.320 0.000 0.000 0.220 2036 A C 1.911 179.470 177.584 -0.041 0.000 1.159 2036 A CA 1.284 53.268 52.037 -0.087 0.000 0.656 2036 A CB -0.525 18.400 19.000 -0.126 0.000 0.800 2036 A HN 0.500 nan 8.150 nan 0.000 0.453 2037 L N -1.410 119.787 121.223 -0.043 0.000 2.552 2037 L HA 0.080 4.420 4.340 0.000 0.000 0.227 2037 L C 0.946 177.811 176.870 -0.009 0.000 1.146 2037 L CA 0.131 54.957 54.840 -0.024 0.000 0.858 2037 L CB -0.452 41.592 42.059 -0.026 0.000 0.969 2037 L HN 0.447 nan 8.230 nan 0.000 0.451 2038 M N -1.531 118.069 119.600 0.000 0.000 2.849 2038 M HA 0.318 4.798 4.480 0.000 0.000 0.299 2038 M C -0.583 175.732 176.300 0.025 0.000 1.223 2038 M CA -0.911 54.396 55.300 0.012 0.000 0.856 2038 M CB 1.318 33.927 32.600 0.016 0.000 1.680 2038 M HN -0.172 nan 8.290 nan 0.000 0.506 2039 D N 1.381 121.796 120.400 0.025 0.000 2.344 2039 D HA 0.101 4.741 4.640 0.000 0.000 0.244 2039 D C -0.203 176.124 176.300 0.045 0.000 1.134 2039 D CA 0.059 54.077 54.000 0.029 0.000 0.930 2039 D CB 0.469 41.281 40.800 0.019 0.000 1.175 2039 D HN 0.338 nan 8.370 nan 0.000 0.437 2040 K N 0.181 120.609 120.400 0.046 0.000 3.540 2040 K HA -0.129 4.191 4.320 0.000 0.000 0.274 2040 K C -2.315 174.338 176.600 0.090 0.000 0.890 2040 K CA 0.276 56.595 56.287 0.054 0.000 0.701 2040 K CB -1.688 30.832 32.500 0.033 0.000 1.523 2040 K HN 0.447 nan 8.250 nan 0.000 0.450 2041 P HA 0.195 nan 4.420 nan 0.000 0.282 2041 P C -0.254 177.227 177.300 0.302 0.000 1.274 2041 P CA -0.256 63.010 63.100 0.277 0.000 0.770 2041 P CB 1.041 32.914 31.700 0.288 0.000 0.867 2042 V N 4.338 124.345 119.914 0.156 0.000 2.656 2042 V HA 0.327 4.447 4.120 0.000 0.000 0.307 2042 V C 0.520 176.197 176.094 -0.696 0.000 1.051 2042 V CA -0.946 61.232 62.300 -0.203 0.000 0.893 2042 V CB 2.311 34.053 31.823 -0.135 0.000 0.999 2042 V HN 0.477 nan 8.190 nan 0.000 0.426 2043 K N 2.784 122.372 120.400 -1.353 0.000 2.237 2043 K HA 0.455 4.775 4.320 0.000 0.000 0.270 2043 K C 0.062 176.244 176.600 -0.697 0.000 1.015 2043 K CA -0.284 54.993 56.287 -1.684 0.000 0.949 2043 K CB 0.853 32.493 32.500 -1.433 0.000 0.976 2043 K HN 0.635 nan 8.250 nan 0.000 0.472 2044 L N 1.829 122.761 121.223 -0.485 0.000 2.435 2044 L HA 0.390 4.730 4.340 0.000 0.000 0.195 2044 L C 0.359 177.139 176.870 -0.149 0.000 1.072 2044 L CA 0.107 54.818 54.840 -0.216 0.000 0.833 2044 L CB 0.462 42.462 42.059 -0.097 0.000 1.081 2044 L HN 0.797 nan 8.230 nan 0.000 0.485 2045 A N -0.511 122.237 122.820 -0.121 0.000 2.544 2045 A HA 0.618 4.938 4.320 0.000 0.000 0.291 2045 A C -1.396 176.118 177.584 -0.116 0.000 1.055 2045 A CA -0.111 51.858 52.037 -0.113 0.000 0.651 2045 A CB 1.308 20.308 19.000 0.001 0.000 1.296 2045 A HN 0.072 nan 8.150 nan 0.000 0.431 2046 S N 0.895 116.398 115.700 -0.330 0.000 2.649 2046 S HA 0.792 5.262 4.470 0.000 0.000 0.274 2046 S C -1.491 172.787 174.600 -0.536 0.000 1.176 2046 S CA -0.666 57.395 58.200 -0.232 0.000 0.988 2046 S CB 1.134 64.280 63.200 -0.089 0.000 1.071 2046 S HN 0.898 nan 8.310 nan 0.000 0.478 2047 H N 2.122 121.278 119.070 0.143 0.000 2.966 2047 H HA 0.565 5.121 4.556 0.000 0.000 0.347 2047 H C 0.469 175.861 175.328 0.108 0.000 1.048 2047 H CA -0.399 55.733 56.048 0.140 0.000 1.295 2047 H CB 1.359 31.239 29.762 0.197 0.000 1.744 2047 H HN 0.686 nan 8.280 nan 0.000 0.513 2048 R N 0.617 121.185 120.500 0.113 0.000 3.878 2048 R HA -0.193 4.147 4.340 0.000 0.000 0.446 2048 R C 0.347 176.527 176.300 -0.200 0.000 0.241 2048 R CA 0.827 56.884 56.100 -0.071 0.000 1.411 2048 R CB -0.724 29.487 30.300 -0.147 0.000 1.019 2048 R HN 0.650 nan 8.270 nan 0.000 0.555 2049 E N 1.206 121.109 120.200 -0.495 0.000 2.403 2049 E HA 0.149 4.499 4.350 0.000 0.000 0.187 2049 E C -0.134 176.274 176.600 -0.321 0.000 1.073 2049 E CA 0.312 56.478 56.400 -0.390 0.000 0.888 2049 E CB -0.236 29.246 29.700 -0.364 0.000 1.035 2049 E HN 0.229 nan 8.360 nan 0.000 0.471 2050 F N 0.792 120.794 119.950 0.087 0.000 2.309 2050 F HA 0.243 4.770 4.527 -0.000 0.000 0.366 2050 F C 0.594 176.449 175.800 0.092 0.000 1.104 2050 F CA -0.544 57.516 58.000 0.099 0.000 1.179 2050 F CB 0.919 40.000 39.000 0.135 0.000 1.437 2050 F HN -0.382 nan 8.300 nan 0.000 0.528 2051 T N 1.907 116.600 114.554 0.231 0.000 2.771 2051 T HA 0.419 4.769 4.350 0.000 0.000 0.281 2051 T C -0.237 174.614 174.700 0.252 0.000 0.982 2051 T CA -0.730 61.488 62.100 0.197 0.000 0.978 2051 T CB 1.153 70.126 68.868 0.175 0.000 0.930 2051 T HN 0.512 nan 8.240 nan 0.000 0.447 2052 S N 2.381 118.223 115.700 0.237 0.000 2.513 2052 S HA 0.794 5.264 4.470 0.000 0.000 0.299 2052 S C -1.527 173.230 174.600 0.263 0.000 1.087 2052 S CA -0.979 57.366 58.200 0.241 0.000 1.012 2052 S CB 1.291 64.580 63.200 0.147 0.000 1.044 2052 S HN 0.659 nan 8.310 nan 0.000 0.485 2053 W N 0.965 122.277 121.300 0.021 0.000 2.950 2053 W HA 0.653 5.313 4.660 -0.000 0.000 0.340 2053 W C 0.065 176.587 176.519 0.005 0.000 1.139 2053 W CA -0.779 56.572 57.345 0.010 0.000 1.188 2053 W CB 1.956 31.420 29.460 0.007 0.000 1.426 2053 W HN 0.747 nan 8.180 nan 0.000 0.531 2054 R N 1.698 122.307 120.500 0.181 0.000 2.637 2054 R HA 0.891 5.231 4.340 0.000 0.000 0.291 2054 R C -0.723 175.659 176.300 0.136 0.000 0.963 2054 R CA -0.371 55.794 56.100 0.109 0.000 0.901 2054 R CB 1.539 31.858 30.300 0.031 0.000 1.160 2054 R HN 0.635 nan 8.270 nan 0.000 0.457 2055 A N 2.454 125.334 122.820 0.099 0.000 2.524 2055 A HA 0.521 4.841 4.320 0.000 0.000 0.289 2055 A C -1.569 176.042 177.584 0.045 0.000 1.248 2055 A CA -0.686 51.403 52.037 0.087 0.000 0.712 2055 A CB 1.830 20.885 19.000 0.092 0.000 1.312 2055 A HN 0.724 nan 8.150 nan 0.000 0.441 2056 E N -0.137 120.084 120.200 0.035 0.000 2.272 2056 E HA 0.620 4.970 4.350 0.000 0.000 0.269 2056 E C -2.095 174.512 176.600 0.012 0.000 0.877 2056 E CA -0.438 55.973 56.400 0.018 0.000 0.755 2056 E CB 1.717 31.426 29.700 0.016 0.000 1.192 2056 E HN 0.530 nan 8.360 nan 0.000 0.422 2057 L N 4.578 125.804 121.223 0.004 0.000 2.377 2057 L HA 0.299 4.639 4.340 0.000 0.000 0.270 2057 L C -0.973 175.895 176.870 -0.004 0.000 0.991 2057 L CA -0.374 54.466 54.840 -0.001 0.000 0.851 2057 L CB 1.135 43.191 42.059 -0.006 0.000 1.218 2057 L HN 0.771 nan 8.230 nan 0.000 0.420 2058 D N 3.936 124.335 120.400 -0.003 0.000 2.689 2058 D HA -0.196 4.444 4.640 0.000 0.000 0.237 2058 D C 1.079 177.377 176.300 -0.003 0.000 1.148 2058 D CA 1.312 55.310 54.000 -0.004 0.000 0.656 2058 D CB -0.658 40.138 40.800 -0.006 0.000 1.050 2058 D HN 1.101 nan 8.370 nan 0.000 0.426 2059 G N -0.482 108.317 108.800 -0.001 0.000 2.184 2059 G HA2 -0.366 3.594 3.960 0.000 0.000 0.264 2059 G HA3 -0.366 3.594 3.960 0.000 0.000 0.264 2059 G C 0.262 175.160 174.900 -0.003 0.000 0.975 2059 G CA 0.848 45.947 45.100 -0.002 0.000 0.642 2059 G HN 0.483 nan 8.290 nan 0.000 0.536 2060 K N 0.699 121.096 120.400 -0.005 0.000 2.206 2060 K HA 0.706 5.026 4.320 0.000 0.000 0.264 2060 K C 0.486 177.082 176.600 -0.007 0.000 0.967 2060 K CA -0.104 56.178 56.287 -0.008 0.000 0.844 2060 K CB 1.933 34.425 32.500 -0.012 0.000 1.099 2060 K HN 0.476 nan 8.250 nan 0.000 0.441 2061 A N 2.471 125.286 122.820 -0.007 0.000 2.477 2061 A HA 0.347 4.667 4.320 0.000 0.000 0.246 2061 A C -0.222 177.355 177.584 -0.011 0.000 1.078 2061 A CA -0.140 51.895 52.037 -0.004 0.000 0.770 2061 A CB 0.274 19.270 19.000 -0.006 0.000 1.011 2061 A HN 0.439 nan 8.150 nan 0.000 0.494 2062 V N 3.610 123.524 119.914 -0.001 0.000 2.925 2062 V HA 0.405 4.525 4.120 0.000 0.000 0.311 2062 V C -0.546 175.555 176.094 0.011 0.000 1.104 2062 V CA -0.693 61.601 62.300 -0.009 0.000 0.954 2062 V CB 1.934 33.752 31.823 -0.009 0.000 1.022 2062 V HN 0.758 nan 8.190 nan 0.000 0.427 2063 I N 3.180 123.748 120.570 -0.003 0.000 2.525 2063 I HA 0.574 4.744 4.170 0.000 0.000 0.301 2063 I C -0.416 175.727 176.117 0.044 0.000 0.992 2063 I CA -0.650 60.668 61.300 0.029 0.000 1.162 2063 I CB 2.002 40.006 38.000 0.006 0.000 1.332 2063 I HN 0.288 nan 8.210 nan 0.000 0.458 2064 V N 4.797 124.768 119.914 0.095 0.000 2.409 2064 V HA 0.384 4.504 4.120 0.000 0.000 0.290 2064 V C -0.497 175.678 176.094 0.135 0.000 1.017 2064 V CA -0.501 61.854 62.300 0.092 0.000 0.841 2064 V CB 1.971 33.836 31.823 0.070 0.000 1.003 2064 V HN 0.905 nan 8.190 nan 0.000 0.426 2065 C N 5.071 124.446 119.300 0.125 0.000 2.609 2065 C HA 0.789 5.249 4.460 0.000 0.000 0.313 2065 C C 0.579 175.667 174.990 0.163 0.000 1.175 2065 C CA -0.256 58.858 59.018 0.161 0.000 1.434 2065 C CB 1.352 29.186 27.740 0.157 0.000 2.005 2065 C HN 1.020 nan 8.230 nan 0.000 0.471 2066 S N 3.200 119.010 115.700 0.184 0.000 2.592 2066 S HA 0.438 4.908 4.470 0.000 0.000 0.271 2066 S C 0.858 175.616 174.600 0.264 0.000 1.326 2066 S CA 0.361 58.660 58.200 0.166 0.000 1.024 2066 S CB 1.361 64.631 63.200 0.116 0.000 0.921 2066 S HN 1.079 nan 8.310 nan 0.000 0.527 2067 T N -1.633 113.043 114.554 0.203 0.000 3.000 2067 T HA 0.552 4.902 4.350 0.000 0.000 0.248 2067 T C 1.146 175.958 174.700 0.187 0.000 1.034 2067 T CA 0.397 62.658 62.100 0.268 0.000 1.060 2067 T CB -0.734 68.225 68.868 0.151 0.000 0.983 2067 T HN 1.972 nan 8.240 nan 0.000 0.482 2068 G N 1.367 110.196 108.800 0.049 0.000 2.685 2068 G HA2 -0.046 3.914 3.960 0.000 0.000 0.387 2068 G HA3 -0.046 3.914 3.960 0.000 0.000 0.387 2068 G C -0.781 174.115 174.900 -0.006 0.000 1.324 2068 G CA -0.568 44.508 45.100 -0.041 0.000 0.878 2068 G HN 0.609 nan 8.290 nan 0.000 0.527 2069 I N 1.950 122.504 120.570 -0.026 0.000 2.428 2069 I HA 0.545 4.715 4.170 0.000 0.000 0.289 2069 I C 1.112 177.229 176.117 0.000 0.000 1.019 2069 I CA 0.817 62.111 61.300 -0.010 0.000 1.351 2069 I CB 0.885 38.871 38.000 -0.023 0.000 1.412 2069 I HN 2.115 nan 8.210 nan 0.000 0.513 2070 G N 3.790 112.595 108.800 0.009 0.000 2.690 2070 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 2070 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 2070 G C 0.540 175.444 174.900 0.007 0.000 1.277 2070 G CA -0.417 44.687 45.100 0.007 0.000 0.799 2070 G HN 0.964 nan 8.290 nan 0.000 0.613 2071 G N 0.284 109.081 108.800 -0.004 0.000 2.402 2071 G HA2 0.134 4.094 3.960 0.000 0.000 0.216 2071 G HA3 0.134 4.094 3.960 0.000 0.000 0.216 2071 G C 0.121 175.017 174.900 -0.006 0.000 1.162 2071 G CA 1.878 46.970 45.100 -0.014 0.000 0.777 2071 G HN 0.680 nan 8.290 nan 0.000 0.539 2072 P HA -0.129 nan 4.420 nan 0.000 0.215 2072 P C 2.313 179.635 177.300 0.036 0.000 1.157 2072 P CA 1.873 64.973 63.100 -0.001 0.000 0.874 2072 P CB -0.065 31.631 31.700 -0.007 0.000 0.790 2073 S N -1.852 113.886 115.700 0.063 0.000 2.368 2073 S HA -0.128 4.342 4.470 0.000 0.000 0.224 2073 S C 1.897 176.620 174.600 0.206 0.000 1.029 2073 S CA 1.948 60.245 58.200 0.161 0.000 0.988 2073 S CB -1.284 61.973 63.200 0.096 0.000 0.838 2073 S HN 0.143 nan 8.310 nan 0.000 0.462 2074 T N 1.782 116.395 114.554 0.098 0.000 2.746 2074 T HA -0.100 4.250 4.350 0.000 0.000 0.267 2074 T C 2.207 176.882 174.700 -0.041 0.000 1.039 2074 T CA 1.627 63.753 62.100 0.043 0.000 1.142 2074 T CB -0.578 68.284 68.868 -0.010 0.000 0.866 2074 T HN 0.712 nan 8.240 nan 0.000 0.444 2075 S N 1.426 117.104 115.700 -0.038 0.000 2.399 2075 S HA -0.046 4.424 4.470 0.000 0.000 0.231 2075 S C 2.060 176.633 174.600 -0.045 0.000 1.022 2075 S CA 0.823 58.995 58.200 -0.047 0.000 0.983 2075 S CB -0.757 62.506 63.200 0.105 0.000 0.803 2075 S HN 0.494 nan 8.310 nan 0.000 0.480 2076 I N 2.071 122.598 120.570 -0.071 0.000 2.202 2076 I HA -0.097 4.073 4.170 0.000 0.000 0.242 2076 I C 3.096 179.038 176.117 -0.291 0.000 1.091 2076 I CA 1.060 62.244 61.300 -0.193 0.000 1.368 2076 I CB -0.693 37.108 38.000 -0.331 0.000 1.058 2076 I HN 0.422 nan 8.210 nan 0.000 0.410 2077 A N 0.560 123.171 122.820 -0.349 0.000 1.858 2077 A HA -0.160 4.160 4.320 0.000 0.000 0.216 2077 A C 2.416 179.933 177.584 -0.111 0.000 1.190 2077 A CA 1.873 53.712 52.037 -0.329 0.000 0.617 2077 A CB -1.038 17.874 19.000 -0.146 0.000 0.827 2077 A HN 0.223 nan 8.150 nan 0.000 0.443 2078 V N 0.341 120.174 119.914 -0.136 0.000 2.287 2078 V HA -0.283 3.837 4.120 0.000 0.000 0.248 2078 V C 2.638 178.661 176.094 -0.119 0.000 1.053 2078 V CA 2.571 64.722 62.300 -0.248 0.000 1.027 2078 V CB -0.897 30.582 31.823 -0.573 0.000 0.646 2078 V HN 0.776 nan 8.190 nan 0.000 0.447 2079 E N 1.037 121.178 120.200 -0.099 0.000 2.033 2079 E HA -0.269 4.081 4.350 0.000 0.000 0.199 2079 E C 2.081 178.711 176.600 0.050 0.000 1.011 2079 E CA 2.258 58.658 56.400 -0.000 0.000 0.815 2079 E CB -0.404 29.326 29.700 0.050 0.000 0.755 2079 E HN 0.696 nan 8.360 nan 0.000 0.451 2080 E N -0.009 120.208 120.200 0.029 0.000 2.110 2080 E HA -0.142 4.208 4.350 0.000 0.000 0.193 2080 E C 2.374 179.014 176.600 0.066 0.000 0.988 2080 E CA 1.067 57.497 56.400 0.050 0.000 0.804 2080 E CB -0.197 29.516 29.700 0.021 0.000 0.745 2080 E HN 0.319 nan 8.360 nan 0.000 0.458 2081 L N 0.717 121.998 121.223 0.097 0.000 2.046 2081 L HA -0.182 4.158 4.340 0.000 0.000 0.208 2081 L C 2.625 179.595 176.870 0.167 0.000 1.077 2081 L CA 0.983 55.910 54.840 0.145 0.000 0.747 2081 L CB -0.474 41.749 42.059 0.274 0.000 0.896 2081 L HN 0.146 nan 8.230 nan 0.000 0.432 2082 A N -0.643 122.330 122.820 0.256 0.000 1.940 2082 A HA -0.264 4.056 4.320 0.000 0.000 0.219 2082 A C 2.198 179.851 177.584 0.114 0.000 1.176 2082 A CA 1.578 53.750 52.037 0.226 0.000 0.631 2082 A CB -0.466 18.655 19.000 0.201 0.000 0.814 2082 A HN 0.482 nan 8.150 nan 0.000 0.446 2083 Q N -0.793 119.063 119.800 0.093 0.000 2.224 2083 Q HA -0.016 4.324 4.340 0.000 0.000 0.203 2083 Q C 1.639 177.666 176.000 0.044 0.000 0.970 2083 Q CA 1.038 56.880 55.803 0.066 0.000 0.865 2083 Q CB -0.199 28.579 28.738 0.068 0.000 0.922 2083 Q HN 0.693 nan 8.270 nan 0.000 0.445 2084 L N -1.520 119.728 121.223 0.042 0.000 2.558 2084 L HA 0.127 4.467 4.340 0.000 0.000 0.225 2084 L C 1.197 178.072 176.870 0.008 0.000 1.128 2084 L CA 0.566 55.418 54.840 0.020 0.000 0.868 2084 L CB 0.320 42.389 42.059 0.017 0.000 1.006 2084 L HN 0.395 nan 8.230 nan 0.000 0.454 2085 G N -0.444 108.364 108.800 0.014 0.000 2.205 2085 G HA2 -0.169 3.792 3.960 0.000 0.000 0.180 2085 G HA3 -0.169 3.792 3.960 0.000 0.000 0.180 2085 G C 0.184 175.063 174.900 -0.036 0.000 1.004 2085 G CA -0.717 44.380 45.100 -0.004 0.000 0.670 2085 G HN 0.038 nan 8.290 nan 0.000 0.496 2086 I N 1.453 121.985 120.570 -0.064 0.000 2.533 2086 I HA 0.346 4.516 4.170 0.000 0.000 0.284 2086 I C 1.263 177.276 176.117 -0.174 0.000 1.109 2086 I CA 0.119 61.287 61.300 -0.221 0.000 1.412 2086 I CB 1.067 38.806 38.000 -0.435 0.000 1.396 2086 I HN 0.074 nan 8.210 nan 0.000 0.543 2087 R N 3.078 123.464 120.500 -0.190 0.000 2.419 2087 R HA 0.201 4.541 4.340 0.000 0.000 0.235 2087 R C -0.185 176.090 176.300 -0.042 0.000 0.899 2087 R CA 0.216 56.296 56.100 -0.033 0.000 1.048 2087 R CB 0.548 30.845 30.300 -0.005 0.000 1.182 2087 R HN 0.523 nan 8.270 nan 0.000 0.544 2088 T N 1.241 115.638 114.554 -0.262 0.000 2.879 2088 T HA 0.577 4.927 4.350 0.000 0.000 0.290 2088 T C -1.046 173.427 174.700 -0.377 0.000 0.993 2088 T CA -0.316 61.694 62.100 -0.150 0.000 0.975 2088 T CB 1.283 70.097 68.868 -0.089 0.000 0.981 2088 T HN -0.175 nan 8.240 nan 0.000 0.439 2089 F N 2.537 122.481 119.950 -0.009 0.000 2.493 2089 F HA 0.579 5.106 4.527 0.000 0.000 0.329 2089 F C -0.247 175.547 175.800 -0.010 0.000 1.126 2089 F CA -1.141 56.853 58.000 -0.010 0.000 0.937 2089 F CB 1.372 40.360 39.000 -0.020 0.000 1.146 2089 F HN 0.215 nan 8.300 nan 0.000 0.442 2090 L N 4.044 125.345 121.223 0.129 0.000 2.316 2090 L HA 0.530 4.870 4.340 0.000 0.000 0.280 2090 L C -0.230 176.686 176.870 0.077 0.000 1.006 2090 L CA -0.911 53.975 54.840 0.077 0.000 0.836 2090 L CB 1.588 43.665 42.059 0.029 0.000 1.221 2090 L HN 0.482 nan 8.230 nan 0.000 0.418 2091 R N 3.530 124.070 120.500 0.068 0.000 2.298 2091 R HA 0.518 4.858 4.340 0.000 0.000 0.310 2091 R C -1.076 175.243 176.300 0.032 0.000 1.068 2091 R CA -0.117 56.014 56.100 0.051 0.000 0.957 2091 R CB 0.806 31.128 30.300 0.037 0.000 1.003 2091 R HN 0.530 nan 8.270 nan 0.000 0.454 2092 I N 3.361 123.948 120.570 0.028 0.000 2.509 2092 I HA 0.818 4.988 4.170 0.000 0.000 0.293 2092 I C -0.550 175.576 176.117 0.014 0.000 1.020 2092 I CA 0.025 61.335 61.300 0.017 0.000 1.088 2092 I CB 2.126 40.133 38.000 0.012 0.000 1.267 2092 I HN 0.746 nan 8.210 nan 0.000 0.430 2093 G N 3.620 112.427 108.800 0.011 0.000 2.600 2093 G HA2 0.611 4.571 3.960 0.000 0.000 0.293 2093 G HA3 0.611 4.571 3.960 0.000 0.000 0.293 2093 G C -1.426 173.478 174.900 0.006 0.000 1.408 2093 G CA -0.230 44.876 45.100 0.009 0.000 0.782 2093 G HN 0.681 nan 8.290 nan 0.000 0.482 2094 T N -2.373 112.185 114.554 0.006 0.000 2.885 2094 T HA 0.789 5.139 4.350 0.000 0.000 0.285 2094 T C -0.318 174.389 174.700 0.012 0.000 1.019 2094 T CA -0.560 61.542 62.100 0.004 0.000 1.010 2094 T CB 2.146 71.013 68.868 -0.002 0.000 1.022 2094 T HN 1.026 nan 8.240 nan 0.000 0.466 2095 T N 0.140 114.699 114.554 0.009 0.000 2.816 2095 T HA 0.722 5.072 4.350 0.000 0.000 0.299 2095 T C 0.287 174.990 174.700 0.005 0.000 1.230 2095 T CA -0.069 62.038 62.100 0.011 0.000 1.007 2095 T CB 1.270 70.142 68.868 0.006 0.000 1.289 2095 T HN 1.069 nan 8.240 nan 0.000 0.508 2096 G N 0.337 109.139 108.800 0.004 0.000 2.531 2096 G HA2 0.770 4.730 3.960 0.000 0.000 0.281 2096 G HA3 0.770 4.730 3.960 0.000 0.000 0.281 2096 G C -0.647 174.242 174.900 -0.019 0.000 1.382 2096 G CA -0.177 44.921 45.100 -0.003 0.000 1.045 2096 G HN 1.128 nan 8.290 nan 0.000 0.533 2097 A N -1.262 121.539 122.820 -0.031 0.000 2.572 2097 A HA 0.592 4.912 4.320 0.000 0.000 0.295 2097 A C 0.065 177.613 177.584 -0.059 0.000 1.072 2097 A CA -0.403 51.592 52.037 -0.071 0.000 0.691 2097 A CB 1.206 20.140 19.000 -0.110 0.000 1.291 2097 A HN 1.265 nan 8.150 nan 0.000 0.404 2098 I N -2.379 118.138 120.570 -0.089 0.000 4.081 2098 I HA 0.327 4.497 4.170 0.000 0.000 0.333 2098 I C -0.432 175.655 176.117 -0.050 0.000 1.413 2098 I CA -0.118 61.150 61.300 -0.052 0.000 1.110 2098 I CB 0.447 38.398 38.000 -0.082 0.000 1.082 2098 I HN 0.309 nan 8.210 nan 0.000 0.402 2099 Q N 1.860 121.598 119.800 -0.104 0.000 2.293 2099 Q HA 0.402 4.742 4.340 0.000 0.000 0.261 2099 Q C -2.003 173.927 176.000 -0.116 0.000 0.960 2099 Q CA -1.928 53.820 55.803 -0.091 0.000 0.882 2099 Q CB 2.116 30.742 28.738 -0.187 0.000 1.275 2099 Q HN -0.018 nan 8.270 nan 0.000 0.445 2100 P HA -0.178 nan 4.420 nan 0.000 0.216 2100 P C 0.928 178.232 177.300 0.007 0.000 1.150 2100 P CA 1.431 64.541 63.100 0.017 0.000 0.837 2100 P CB 0.116 31.853 31.700 0.061 0.000 0.786 2101 H N -1.414 117.624 119.070 -0.054 0.000 2.559 2101 H HA 0.083 4.639 4.556 0.000 0.000 0.273 2101 H C 0.473 175.753 175.328 -0.080 0.000 1.000 2101 H CA 0.249 56.269 56.048 -0.047 0.000 1.195 2101 H CB -0.935 28.804 29.762 -0.040 0.000 1.368 2101 H HN 0.163 nan 8.280 nan 0.000 0.592 2102 I N 3.240 123.472 120.570 -0.563 0.000 2.312 2102 I HA 0.079 4.249 4.170 0.000 0.000 0.291 2102 I C -0.234 175.795 176.117 -0.145 0.000 1.031 2102 I CA -0.397 60.634 61.300 -0.449 0.000 1.293 2102 I CB 0.683 38.337 38.000 -0.576 0.000 1.403 2102 I HN 0.086 nan 8.210 nan 0.000 0.484 2103 N N 5.317 124.006 118.700 -0.019 0.000 2.466 2103 N HA 0.346 5.086 4.740 0.000 0.000 0.294 2103 N C -0.393 175.126 175.510 0.016 0.000 1.129 2103 N CA -0.628 52.426 53.050 0.006 0.000 0.931 2103 N CB 2.127 40.634 38.487 0.033 0.000 1.193 2103 N HN 0.146 nan 8.380 nan 0.000 0.500 2104 V N 0.713 120.631 119.914 0.007 0.000 2.720 2104 V HA 0.160 4.280 4.120 0.000 0.000 0.307 2104 V C 1.577 177.679 176.094 0.014 0.000 1.071 2104 V CA 1.493 63.795 62.300 0.005 0.000 1.199 2104 V CB 0.148 31.970 31.823 -0.001 0.000 0.900 2104 V HN 1.081 nan 8.190 nan 0.000 0.494 2105 G N 3.236 112.042 108.800 0.009 0.000 2.234 2105 G HA2 -0.182 3.778 3.960 0.000 0.000 0.235 2105 G HA3 -0.182 3.778 3.960 0.000 0.000 0.235 2105 G C -0.049 174.883 174.900 0.053 0.000 0.997 2105 G CA 0.075 45.184 45.100 0.015 0.000 0.623 2105 G HN 0.682 nan 8.290 nan 0.000 0.514 2106 D N 0.044 120.481 120.400 0.062 0.000 2.358 2106 D HA 0.539 5.179 4.640 0.000 0.000 0.244 2106 D C 0.462 176.805 176.300 0.072 0.000 1.163 2106 D CA -0.010 54.038 54.000 0.080 0.000 0.945 2106 D CB 1.733 42.637 40.800 0.173 0.000 1.152 2106 D HN 0.196 nan 8.370 nan 0.000 0.451 2107 V N 1.599 121.542 119.914 0.049 0.000 2.513 2107 V HA 0.369 4.489 4.120 0.000 0.000 0.299 2107 V C -0.083 176.042 176.094 0.052 0.000 1.035 2107 V CA -0.748 61.576 62.300 0.041 0.000 0.889 2107 V CB 1.473 33.309 31.823 0.022 0.000 0.988 2107 V HN 0.268 nan 8.190 nan 0.000 0.440 2108 L N 5.094 126.349 121.223 0.053 0.000 2.313 2108 L HA 0.651 4.991 4.340 0.000 0.000 0.283 2108 L C -0.790 176.099 176.870 0.032 0.000 1.013 2108 L CA -0.781 54.095 54.840 0.060 0.000 0.816 2108 L CB 1.915 44.001 42.059 0.044 0.000 1.236 2108 L HN 0.324 nan 8.230 nan 0.000 0.419 2109 V N 1.776 121.709 119.914 0.031 0.000 2.384 2109 V HA 0.314 4.434 4.120 0.000 0.000 0.287 2109 V C 0.198 176.302 176.094 0.018 0.000 1.020 2109 V CA -0.437 61.872 62.300 0.015 0.000 0.850 2109 V CB 1.770 33.595 31.823 0.003 0.000 0.987 2109 V HN 0.739 nan 8.190 nan 0.000 0.436 2110 T N 3.302 117.862 114.554 0.010 0.000 2.743 2110 T HA 0.218 4.568 4.350 0.000 0.000 0.293 2110 T C 1.326 176.033 174.700 0.013 0.000 0.945 2110 T CA 0.178 62.281 62.100 0.006 0.000 1.030 2110 T CB 1.263 70.128 68.868 -0.006 0.000 0.912 2110 T HN 0.949 nan 8.240 nan 0.000 0.483 2111 T N 0.663 115.228 114.554 0.018 0.000 2.937 2111 T HA 0.476 4.826 4.350 0.000 0.000 0.260 2111 T C 0.747 175.461 174.700 0.023 0.000 1.051 2111 T CA 0.275 62.394 62.100 0.031 0.000 1.141 2111 T CB 0.171 69.062 68.868 0.040 0.000 0.879 2111 T HN 0.747 nan 8.240 nan 0.000 0.459 2112 A N -0.008 122.815 122.820 0.005 0.000 2.610 2112 A HA 0.712 5.032 4.320 0.000 0.000 0.291 2112 A C -1.032 176.534 177.584 -0.030 0.000 1.086 2112 A CA -0.840 51.195 52.037 -0.004 0.000 0.677 2112 A CB 1.422 20.418 19.000 -0.007 0.000 1.278 2112 A HN 0.223 nan 8.150 nan 0.000 0.414 2113 S N -0.539 115.140 115.700 -0.037 0.000 2.542 2113 S HA 0.608 5.078 4.470 0.000 0.000 0.293 2113 S C -0.556 173.986 174.600 -0.097 0.000 1.089 2113 S CA -0.539 57.617 58.200 -0.073 0.000 0.961 2113 S CB 1.745 64.912 63.200 -0.056 0.000 1.062 2113 S HN 0.846 nan 8.310 nan 0.000 0.483 2114 V N 2.986 122.789 119.914 -0.186 0.000 2.508 2114 V HA 0.215 4.335 4.120 0.000 0.000 0.281 2114 V C 0.524 176.530 176.094 -0.147 0.000 1.041 2114 V CA -0.140 62.011 62.300 -0.247 0.000 1.016 2114 V CB 0.169 31.636 31.823 -0.594 0.000 0.984 2114 V HN 0.692 nan 8.190 nan 0.000 0.478 2115 R N 5.390 125.856 120.500 -0.057 0.000 2.612 2115 R HA 0.288 4.628 4.340 0.000 0.000 0.273 2115 R C 0.095 176.427 176.300 0.053 0.000 1.376 2115 R CA -0.063 56.042 56.100 0.009 0.000 1.171 2115 R CB -0.014 30.316 30.300 0.050 0.000 1.151 2115 R HN 0.662 nan 8.270 nan 0.000 0.560 2116 L N 2.173 123.432 121.223 0.060 0.000 2.848 2116 L HA 0.131 4.471 4.340 0.000 0.000 0.240 2116 L C 0.287 177.239 176.870 0.138 0.000 1.232 2116 L CA -0.273 54.668 54.840 0.169 0.000 1.031 2116 L CB -0.574 41.619 42.059 0.224 0.000 1.338 2116 L HN 0.539 nan 8.230 nan 0.000 0.509 2117 D N -1.350 119.104 120.400 0.089 0.000 2.650 2117 D HA 0.343 4.983 4.640 0.000 0.000 0.255 2117 D C 0.764 177.106 176.300 0.070 0.000 1.135 2117 D CA -0.233 53.805 54.000 0.063 0.000 1.099 2117 D CB 1.629 42.447 40.800 0.029 0.000 1.273 2117 D HN -0.087 nan 8.370 nan 0.000 0.628 2118 G N -1.308 107.512 108.800 0.034 0.000 2.780 2118 G HA2 0.259 4.219 3.960 0.000 0.000 0.198 2118 G HA3 0.259 4.219 3.960 0.000 0.000 0.198 2118 G C 1.314 176.178 174.900 -0.060 0.000 1.067 2118 G CA 0.622 45.740 45.100 0.029 0.000 0.765 2118 G HN 0.620 nan 8.290 nan 0.000 0.581 2119 A N 1.904 124.637 122.820 -0.144 0.000 1.940 2119 A HA -0.058 4.262 4.320 0.000 0.000 0.219 2119 A C 2.684 180.317 177.584 0.083 0.000 1.176 2119 A CA 2.645 54.552 52.037 -0.218 0.000 0.631 2119 A CB -0.766 18.187 19.000 -0.079 0.000 0.814 2119 A HN 0.795 nan 8.150 nan 0.000 0.446 2120 S N 0.278 116.047 115.700 0.116 0.000 2.383 2120 S HA -0.142 4.329 4.470 0.000 0.000 0.229 2120 S C 1.695 176.439 174.600 0.240 0.000 1.030 2120 S CA 1.556 59.869 58.200 0.188 0.000 1.002 2120 S CB -0.808 62.453 63.200 0.101 0.000 0.829 2120 S HN 0.455 nan 8.310 nan 0.000 0.467 2121 L N 0.845 122.190 121.223 0.202 0.000 2.456 2121 L HA 0.001 4.341 4.340 0.000 0.000 0.224 2121 L C 2.159 179.150 176.870 0.202 0.000 1.148 2121 L CA 0.990 55.947 54.840 0.196 0.000 0.825 2121 L CB -0.671 41.502 42.059 0.192 0.000 0.937 2121 L HN 0.515 nan 8.230 nan 0.000 0.450 2122 H N -2.064 116.974 119.070 -0.054 0.000 2.539 2122 H HA 0.055 4.611 4.556 0.000 0.000 0.267 2122 H C 1.169 176.140 175.328 -0.595 0.000 0.982 2122 H CA 0.330 56.195 56.048 -0.305 0.000 1.146 2122 H CB 0.484 30.017 29.762 -0.381 0.000 1.382 2122 H HN 0.335 nan 8.280 nan 0.000 0.577 2123 F N -0.222 119.749 119.950 0.036 0.000 2.699 2123 F HA 0.435 4.962 4.527 0.000 0.000 0.295 2123 F C 0.806 176.523 175.800 -0.139 0.000 1.052 2123 F CA -0.023 57.939 58.000 -0.064 0.000 1.239 2123 F CB 1.074 40.014 39.000 -0.100 0.000 1.018 2123 F HN -0.036 nan 8.300 nan 0.000 0.627 2124 A N 0.438 123.286 122.820 0.047 0.000 2.589 2124 A HA 0.616 4.936 4.320 0.000 0.000 0.296 2124 A C -2.796 174.827 177.584 0.065 0.000 1.062 2124 A CA -1.392 50.618 52.037 -0.045 0.000 0.686 2124 A CB 0.663 19.474 19.000 -0.315 0.000 1.282 2124 A HN -0.169 nan 8.150 nan 0.000 0.404 2125 P HA 0.104 nan 4.420 nan 0.000 0.271 2125 P C 0.814 178.201 177.300 0.145 0.000 1.233 2125 P CA -0.210 62.952 63.100 0.103 0.000 0.789 2125 P CB 0.468 32.223 31.700 0.092 0.000 0.951 2126 M N 1.421 121.090 119.600 0.114 0.000 2.260 2126 M HA -0.192 4.288 4.480 0.000 0.000 0.261 2126 M C 1.492 177.864 176.300 0.121 0.000 1.066 2126 M CA 1.933 57.302 55.300 0.115 0.000 1.082 2126 M CB -1.321 31.332 32.600 0.088 0.000 1.388 2126 M HN 0.310 nan 8.290 nan 0.000 0.419 2127 E N -0.830 119.439 120.200 0.114 0.000 2.153 2127 E HA -0.110 4.240 4.350 0.000 0.000 0.194 2127 E C 0.354 177.009 176.600 0.091 0.000 0.988 2127 E CA 0.606 57.058 56.400 0.087 0.000 0.811 2127 E CB -0.528 29.217 29.700 0.074 0.000 0.746 2127 E HN 0.480 nan 8.360 nan 0.000 0.466 2128 F N 2.712 122.681 119.950 0.032 0.000 2.538 2128 F HA 0.111 4.639 4.527 0.000 0.000 0.371 2128 F C -1.941 173.875 175.800 0.026 0.000 1.087 2128 F CA -2.701 55.317 58.000 0.031 0.000 1.250 2128 F CB 0.520 39.544 39.000 0.041 0.000 1.110 2128 F HN -0.114 nan 8.300 nan 0.000 0.570 2129 P HA 0.158 nan 4.420 nan 0.000 0.281 2129 P C -1.254 176.118 177.300 0.121 0.000 1.252 2129 P CA -0.387 62.655 63.100 -0.097 0.000 0.778 2129 P CB 1.250 32.812 31.700 -0.230 0.000 0.895 2130 A N 4.258 127.149 122.820 0.117 0.000 3.063 2130 A HA 0.243 4.563 4.320 0.000 0.000 0.263 2130 A C 0.366 177.990 177.584 0.066 0.000 1.736 2130 A CA -0.374 51.734 52.037 0.118 0.000 1.408 2130 A CB -0.907 18.130 19.000 0.061 0.000 1.108 2130 A HN 0.478 nan 8.150 nan 0.000 0.621 2131 V N 1.375 121.338 119.914 0.081 0.000 2.644 2131 V HA 0.675 4.795 4.120 0.000 0.000 0.295 2131 V C 0.678 176.812 176.094 0.067 0.000 1.053 2131 V CA -0.106 62.225 62.300 0.051 0.000 0.987 2131 V CB 1.368 33.203 31.823 0.020 0.000 1.006 2131 V HN 0.851 nan 8.190 nan 0.000 0.472 2132 A N 4.139 126.993 122.820 0.057 0.000 2.304 2132 A HA 0.447 4.767 4.320 0.000 0.000 0.271 2132 A C -0.053 177.583 177.584 0.087 0.000 1.091 2132 A CA -0.338 51.736 52.037 0.061 0.000 0.812 2132 A CB 0.331 19.358 19.000 0.045 0.000 1.056 2132 A HN 1.021 nan 8.150 nan 0.000 0.489 2133 D N -0.118 120.334 120.400 0.087 0.000 2.382 2133 D HA 0.154 4.794 4.640 0.000 0.000 0.245 2133 D C 0.643 177.022 176.300 0.132 0.000 1.120 2133 D CA -0.133 53.935 54.000 0.112 0.000 0.890 2133 D CB 0.211 41.066 40.800 0.092 0.000 1.201 2133 D HN 0.360 nan 8.370 nan 0.000 0.433 2134 F N 3.846 123.809 119.950 0.021 0.000 2.134 2134 F HA -0.059 4.468 4.527 0.000 0.000 0.299 2134 F C 2.015 177.823 175.800 0.014 0.000 1.097 2134 F CA 1.671 59.680 58.000 0.015 0.000 1.264 2134 F CB -0.466 38.541 39.000 0.011 0.000 1.001 2134 F HN 0.493 nan 8.300 nan 0.000 0.479 2135 A N -0.685 122.099 122.820 -0.060 0.000 1.902 2135 A HA -0.189 4.131 4.320 0.000 0.000 0.217 2135 A C 2.370 179.862 177.584 -0.152 0.000 1.181 2135 A CA 1.733 53.679 52.037 -0.151 0.000 0.623 2135 A CB -1.633 17.361 19.000 -0.011 0.000 0.818 2135 A HN 0.550 nan 8.150 nan 0.000 0.443 2136 C N -1.251 118.004 119.300 -0.074 0.000 2.453 2136 C HA -0.063 4.397 4.460 0.000 0.000 0.277 2136 C C 3.045 177.985 174.990 -0.083 0.000 1.262 2136 C CA 1.515 60.501 59.018 -0.052 0.000 1.718 2136 C CB -1.450 26.291 27.740 0.001 0.000 2.031 2136 C HN 0.637 nan 8.230 nan 0.000 0.480 2137 T N 0.539 115.033 114.554 -0.099 0.000 2.746 2137 T HA -0.159 4.191 4.350 0.000 0.000 0.267 2137 T C 1.808 176.404 174.700 -0.174 0.000 1.039 2137 T CA 2.140 64.180 62.100 -0.101 0.000 1.142 2137 T CB -0.491 68.344 68.868 -0.056 0.000 0.866 2137 T HN 0.589 nan 8.240 nan 0.000 0.444 2138 T N 2.037 116.390 114.554 -0.334 0.000 2.674 2138 T HA -0.056 4.294 4.350 0.000 0.000 0.265 2138 T C 2.414 176.999 174.700 -0.192 0.000 1.039 2138 T CA 1.259 63.149 62.100 -0.351 0.000 1.150 2138 T CB -0.638 67.888 68.868 -0.570 0.000 0.864 2138 T HN 0.431 nan 8.240 nan 0.000 0.427 2139 A N 1.110 123.833 122.820 -0.162 0.000 1.917 2139 A HA -0.057 4.263 4.320 0.000 0.000 0.219 2139 A C 2.318 179.857 177.584 -0.075 0.000 1.182 2139 A CA 1.381 53.358 52.037 -0.099 0.000 0.633 2139 A CB -0.900 18.053 19.000 -0.078 0.000 0.819 2139 A HN 0.489 nan 8.150 nan 0.000 0.448 2140 L N -0.876 120.304 121.223 -0.071 0.000 2.027 2140 L HA -0.142 4.198 4.340 0.000 0.000 0.206 2140 L C 2.539 179.379 176.870 -0.050 0.000 1.074 2140 L CA 1.050 55.861 54.840 -0.048 0.000 0.745 2140 L CB -0.561 41.477 42.059 -0.036 0.000 0.898 2140 L HN 0.244 nan 8.230 nan 0.000 0.433 2141 V N -0.305 119.572 119.914 -0.062 0.000 2.343 2141 V HA -0.228 3.892 4.120 0.000 0.000 0.247 2141 V C 2.552 178.614 176.094 -0.054 0.000 1.051 2141 V CA 1.586 63.853 62.300 -0.054 0.000 1.036 2141 V CB -0.452 31.336 31.823 -0.057 0.000 0.654 2141 V HN 0.438 nan 8.190 nan 0.000 0.451 2142 E N 0.479 120.641 120.200 -0.063 0.000 2.047 2142 E HA -0.168 4.182 4.350 0.000 0.000 0.191 2142 E C 2.391 178.962 176.600 -0.047 0.000 0.987 2142 E CA 1.495 57.863 56.400 -0.054 0.000 0.799 2142 E CB -0.556 29.108 29.700 -0.059 0.000 0.752 2142 E HN 0.565 nan 8.360 nan 0.000 0.449 2143 A N 1.707 124.499 122.820 -0.047 0.000 1.933 2143 A HA -0.088 4.232 4.320 0.000 0.000 0.218 2143 A C 2.437 179.995 177.584 -0.044 0.000 1.175 2143 A CA 2.061 54.073 52.037 -0.042 0.000 0.628 2143 A CB -0.555 18.422 19.000 -0.037 0.000 0.814 2143 A HN 0.269 nan 8.150 nan 0.000 0.444 2144 A N -0.335 122.459 122.820 -0.043 0.000 1.898 2144 A HA -0.155 4.165 4.320 0.000 0.000 0.216 2144 A C 2.137 179.688 177.584 -0.056 0.000 1.181 2144 A CA 1.938 53.947 52.037 -0.046 0.000 0.620 2144 A CB -0.444 18.531 19.000 -0.041 0.000 0.819 2144 A HN 0.534 nan 8.150 nan 0.000 0.442 2145 K N 0.372 120.742 120.400 -0.051 0.000 2.097 2145 K HA -0.151 4.169 4.320 0.000 0.000 0.206 2145 K C 2.275 178.845 176.600 -0.050 0.000 1.049 2145 K CA 1.693 57.950 56.287 -0.050 0.000 0.933 2145 K CB -0.181 32.294 32.500 -0.042 0.000 0.717 2145 K HN 0.627 nan 8.250 nan 0.000 0.442 2146 S N 0.224 115.895 115.700 -0.049 0.000 2.419 2146 S HA -0.127 4.343 4.470 0.000 0.000 0.233 2146 S C 1.697 176.261 174.600 -0.059 0.000 1.016 2146 S CA 0.924 59.096 58.200 -0.047 0.000 0.974 2146 S CB -0.225 62.950 63.200 -0.042 0.000 0.786 2146 S HN 0.220 nan 8.310 nan 0.000 0.492 2147 I N 1.928 122.454 120.570 -0.075 0.000 3.578 2147 I HA 0.288 4.458 4.170 0.000 0.000 0.295 2147 I C 1.883 177.928 176.117 -0.120 0.000 1.280 2147 I CA 0.408 61.642 61.300 -0.109 0.000 1.347 2147 I CB -0.684 37.233 38.000 -0.138 0.000 1.051 2147 I HN 0.531 nan 8.210 nan 0.000 0.460 2148 G N 0.764 109.512 108.800 -0.087 0.000 2.153 2148 G HA2 -0.221 3.739 3.960 0.000 0.000 0.252 2148 G HA3 -0.221 3.739 3.960 0.000 0.000 0.252 2148 G C 0.577 175.428 174.900 -0.081 0.000 0.994 2148 G CA 0.167 45.221 45.100 -0.076 0.000 0.698 2148 G HN 0.695 nan 8.290 nan 0.000 0.521 2149 A N -0.149 122.617 122.820 -0.090 0.000 2.407 2149 A HA 0.661 4.981 4.320 0.000 0.000 0.248 2149 A C 0.849 178.393 177.584 -0.066 0.000 1.082 2149 A CA 0.893 52.889 52.037 -0.068 0.000 0.785 2149 A CB 0.400 19.369 19.000 -0.052 0.000 1.020 2149 A HN 0.794 nan 8.150 nan 0.000 0.489 2150 T N 3.032 117.550 114.554 -0.060 0.000 2.738 2150 T HA 0.388 4.738 4.350 0.000 0.000 0.294 2150 T C 0.153 174.725 174.700 -0.213 0.000 0.914 2150 T CA 0.426 62.454 62.100 -0.120 0.000 1.052 2150 T CB -0.190 68.632 68.868 -0.077 0.000 0.897 2150 T HN 0.641 nan 8.240 nan 0.000 0.522 2151 T N 4.299 118.697 114.554 -0.261 0.000 2.855 2151 T HA 0.385 4.735 4.350 0.000 0.000 0.281 2151 T C -0.441 174.013 174.700 -0.409 0.000 1.007 2151 T CA -0.789 61.156 62.100 -0.259 0.000 1.009 2151 T CB 0.835 69.635 68.868 -0.114 0.000 0.983 2151 T HN 0.498 nan 8.240 nan 0.000 0.455 2152 H N 1.201 120.279 119.070 0.013 0.000 2.589 2152 H HA 0.474 5.030 4.556 0.000 0.000 0.335 2152 H C -0.945 174.392 175.328 0.015 0.000 1.019 2152 H CA -0.461 55.602 56.048 0.024 0.000 1.213 2152 H CB 1.508 31.277 29.762 0.012 0.000 1.472 2152 H HN 0.266 nan 8.280 nan 0.000 0.508 2153 V N 3.070 123.056 119.914 0.121 0.000 2.370 2153 V HA 0.706 4.826 4.120 0.000 0.000 0.283 2153 V C 0.646 176.785 176.094 0.074 0.000 1.023 2153 V CA -0.224 62.119 62.300 0.073 0.000 0.857 2153 V CB 1.260 33.111 31.823 0.047 0.000 0.985 2153 V HN 1.038 nan 8.190 nan 0.000 0.443 2154 G N 3.301 112.132 108.800 0.051 0.000 2.435 2154 G HA2 0.478 4.438 3.960 0.000 0.000 0.296 2154 G HA3 0.478 4.438 3.960 0.000 0.000 0.296 2154 G C -1.413 173.491 174.900 0.006 0.000 1.240 2154 G CA -0.466 44.655 45.100 0.035 0.000 0.872 2154 G HN 0.451 nan 8.290 nan 0.000 0.480 2155 V N 0.705 120.612 119.914 -0.012 0.000 2.567 2155 V HA 0.649 4.769 4.120 0.000 0.000 0.289 2155 V C 0.296 176.338 176.094 -0.086 0.000 1.049 2155 V CA -0.115 62.157 62.300 -0.047 0.000 0.969 2155 V CB 1.330 33.121 31.823 -0.055 0.000 0.995 2155 V HN 0.770 nan 8.190 nan 0.000 0.471 2156 T N 3.034 117.523 114.554 -0.108 0.000 2.912 2156 T HA 0.690 5.040 4.350 0.000 0.000 0.288 2156 T C -0.199 174.374 174.700 -0.212 0.000 1.030 2156 T CA -0.345 61.669 62.100 -0.142 0.000 1.020 2156 T CB 1.749 70.566 68.868 -0.086 0.000 1.056 2156 T HN 0.911 nan 8.240 nan 0.000 0.480 2157 A N 1.781 124.433 122.820 -0.280 0.000 2.249 2157 A HA 0.640 4.960 4.320 0.000 0.000 0.314 2157 A C 0.231 177.762 177.584 -0.088 0.000 1.290 2157 A CA -0.519 51.318 52.037 -0.333 0.000 0.893 2157 A CB 0.522 19.158 19.000 -0.606 0.000 1.165 2157 A HN 0.618 nan 8.150 nan 0.000 0.530 2158 S N 2.146 117.799 115.700 -0.078 0.000 2.423 2158 S HA 0.489 4.959 4.470 0.000 0.000 0.317 2158 S C 0.091 174.693 174.600 0.004 0.000 1.065 2158 S CA -0.279 57.910 58.200 -0.019 0.000 1.111 2158 S CB 0.240 63.422 63.200 -0.029 0.000 0.968 2158 S HN 0.914 nan 8.310 nan 0.000 0.474 2159 S N 3.256 118.959 115.700 0.004 0.000 2.525 2159 S HA 0.346 4.816 4.470 0.000 0.000 0.290 2159 S C 0.485 175.058 174.600 -0.045 0.000 1.152 2159 S CA -0.630 57.545 58.200 -0.042 0.000 1.072 2159 S CB 1.162 64.263 63.200 -0.166 0.000 1.027 2159 S HN 0.725 nan 8.310 nan 0.000 0.500 2160 D N 1.808 122.189 120.400 -0.030 0.000 2.363 2160 D HA 0.113 4.753 4.640 0.000 0.000 0.220 2160 D C 0.642 176.928 176.300 -0.023 0.000 0.994 2160 D CA 0.788 54.782 54.000 -0.011 0.000 0.890 2160 D CB 0.235 41.047 40.800 0.020 0.000 0.906 2160 D HN 0.710 nan 8.370 nan 0.000 0.530 2161 T N -3.665 110.840 114.554 -0.081 0.000 2.907 2161 T HA 0.279 4.629 4.350 0.000 0.000 0.292 2161 T C 0.419 175.056 174.700 -0.105 0.000 1.043 2161 T CA -0.882 61.185 62.100 -0.055 0.000 1.003 2161 T CB 1.278 70.103 68.868 -0.072 0.000 1.084 2161 T HN -0.121 nan 8.240 nan 0.000 0.483 2162 F N 0.452 120.281 119.950 -0.203 0.000 2.473 2162 F HA 0.228 4.755 4.527 0.000 0.000 0.294 2162 F C 0.882 176.357 175.800 -0.543 0.000 1.103 2162 F CA 0.565 58.338 58.000 -0.380 0.000 1.442 2162 F CB -0.068 38.677 39.000 -0.425 0.000 1.097 2162 F HN 0.691 nan 8.300 nan 0.000 0.547 2163 Y N 0.755 121.036 120.300 -0.031 0.000 2.296 2163 Y HA 0.164 4.714 4.550 -0.000 0.000 0.271 2163 Y C -0.417 175.318 175.900 -0.275 0.000 1.102 2163 Y CA 0.543 58.571 58.100 -0.119 0.000 1.147 2163 Y CB -1.889 36.580 38.460 0.015 0.000 1.070 2163 Y HN -0.200 nan 8.280 nan 0.000 0.495 2164 P HA -0.085 nan 4.420 nan 0.000 0.217 2164 P C 1.508 178.497 177.300 -0.519 0.000 1.151 2164 P CA 2.147 65.109 63.100 -0.230 0.000 0.828 2164 P CB -0.171 31.466 31.700 -0.105 0.000 0.788 2165 G N -0.110 108.262 108.800 -0.714 0.000 2.559 2165 G HA2 -0.192 3.768 3.960 0.000 0.000 0.216 2165 G HA3 -0.192 3.768 3.960 0.000 0.000 0.216 2165 G C 1.362 175.731 174.900 -0.884 0.000 1.126 2165 G CA 0.284 44.631 45.100 -1.256 0.000 0.778 2165 G HN 0.386 nan 8.290 nan 0.000 0.543 2166 Q N -0.659 118.666 119.800 -0.792 0.000 2.172 2166 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 2166 Q C -0.027 175.638 176.000 -0.559 0.000 0.832 2166 Q CA -0.285 54.848 55.803 -1.118 0.000 1.010 2166 Q CB 0.536 28.537 28.738 -1.229 0.000 1.133 2166 Q HN 0.609 nan 8.270 nan 0.000 0.489 2167 E N 1.964 121.943 120.200 -0.369 0.000 2.228 2167 E HA -0.212 4.138 4.350 0.000 0.000 0.213 2167 E C -0.938 175.463 176.600 -0.332 0.000 1.282 2167 E CA 0.050 56.280 56.400 -0.283 0.000 0.707 2167 E CB -0.091 29.585 29.700 -0.038 0.000 1.150 2167 E HN 0.185 nan 8.360 nan 0.000 0.362 2168 R N 0.613 120.915 120.500 -0.329 0.000 2.254 2168 R HA 0.161 4.501 4.340 0.000 0.000 0.318 2168 R C 0.124 176.302 176.300 -0.203 0.000 1.031 2168 R CA -0.138 55.873 56.100 -0.149 0.000 0.905 2168 R CB 0.427 30.717 30.300 -0.016 0.000 1.050 2168 R HN 0.275 nan 8.270 nan 0.000 0.456 2169 Y N -0.001 120.338 120.300 0.064 0.000 2.444 2169 Y HA -0.001 4.549 4.550 0.000 0.000 0.249 2169 Y C 0.747 176.679 175.900 0.053 0.000 1.134 2169 Y CA -0.290 57.841 58.100 0.052 0.000 1.261 2169 Y CB 0.509 38.989 38.460 0.033 0.000 1.143 2169 Y HN 0.476 nan 8.280 nan 0.000 0.523 2170 D N 1.188 121.710 120.400 0.204 0.000 2.767 2170 D HA 0.041 4.681 4.640 0.000 0.000 0.231 2170 D C 0.224 176.590 176.300 0.110 0.000 1.105 2170 D CA 0.201 54.292 54.000 0.152 0.000 1.024 2170 D CB -0.628 40.268 40.800 0.160 0.000 1.123 2170 D HN 0.224 nan 8.370 nan 0.000 0.470 2171 T N -3.794 110.795 114.554 0.058 0.000 2.831 2171 T HA 0.243 4.593 4.350 0.000 0.000 0.287 2171 T C 0.838 175.547 174.700 0.014 0.000 1.070 2171 T CA -0.984 61.099 62.100 -0.029 0.000 1.010 2171 T CB 0.824 69.651 68.868 -0.068 0.000 1.264 2171 T HN 0.099 nan 8.240 nan 0.000 0.532 2172 Y N 1.246 121.481 120.300 -0.108 0.000 2.181 2172 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 2172 Y C 2.721 178.602 175.900 -0.032 0.000 1.146 2172 Y CA 2.470 60.530 58.100 -0.067 0.000 1.164 2172 Y CB -0.226 38.184 38.460 -0.083 0.000 0.982 2172 Y HN 0.735 nan 8.280 nan 0.000 0.515 2173 S N -1.131 114.501 115.700 -0.114 0.000 2.439 2173 S HA 0.156 4.626 4.470 0.000 0.000 0.224 2173 S C 1.853 176.402 174.600 -0.084 0.000 1.029 2173 S CA 0.589 58.687 58.200 -0.171 0.000 0.946 2173 S CB -0.417 62.770 63.200 -0.020 0.000 0.797 2173 S HN 0.949 nan 8.310 nan 0.000 0.504 2174 G N 1.580 110.378 108.800 -0.005 0.000 2.155 2174 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 2174 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 2174 G C 0.025 175.025 174.900 0.166 0.000 0.983 2174 G CA 0.455 45.603 45.100 0.081 0.000 0.676 2174 G HN 0.852 nan 8.290 nan 0.000 0.528 2175 R N -0.608 119.953 120.500 0.102 0.000 2.664 2175 R HA 0.702 5.042 4.340 0.000 0.000 0.286 2175 R C -1.071 175.263 176.300 0.058 0.000 0.967 2175 R CA -0.662 55.511 56.100 0.120 0.000 0.933 2175 R CB 1.869 32.209 30.300 0.067 0.000 1.146 2175 R HN 0.162 nan 8.270 nan 0.000 0.468 2176 V N 4.712 124.675 119.914 0.082 0.000 2.482 2176 V HA 0.184 4.304 4.120 0.000 0.000 0.295 2176 V C 0.008 176.163 176.094 0.101 0.000 1.026 2176 V CA -0.877 61.425 62.300 0.003 0.000 0.856 2176 V CB 1.610 33.306 31.823 -0.211 0.000 1.001 2176 V HN 0.696 nan 8.190 nan 0.000 0.424 2177 V N 6.220 126.205 119.914 0.119 0.000 2.928 2177 V HA -0.005 4.115 4.120 0.000 0.000 0.307 2177 V C 1.912 178.066 176.094 0.100 0.000 1.105 2177 V CA 1.018 63.387 62.300 0.116 0.000 1.223 2177 V CB 0.815 32.720 31.823 0.137 0.000 0.930 2177 V HN 0.994 nan 8.190 nan 0.000 0.499 2178 R N 3.845 124.377 120.500 0.054 0.000 2.134 2178 R HA -0.248 4.092 4.340 0.000 0.000 0.248 2178 R C 2.329 178.610 176.300 -0.032 0.000 1.143 2178 R CA 2.655 58.766 56.100 0.019 0.000 0.957 2178 R CB -0.415 29.886 30.300 0.002 0.000 0.867 2178 R HN 0.858 nan 8.270 nan 0.000 0.441 2179 R N -0.634 119.809 120.500 -0.096 0.000 2.119 2179 R HA -0.190 4.150 4.340 0.000 0.000 0.246 2179 R C 1.489 177.535 176.300 -0.423 0.000 1.146 2179 R CA 2.199 58.123 56.100 -0.293 0.000 0.962 2179 R CB -0.262 29.780 30.300 -0.430 0.000 0.863 2179 R HN 0.344 nan 8.270 nan 0.000 0.442 2180 F N 0.379 120.344 119.950 0.025 0.000 2.695 2180 F HA 0.246 4.774 4.527 0.000 0.000 0.303 2180 F C 0.338 176.138 175.800 -0.000 0.000 1.091 2180 F CA -0.348 57.662 58.000 0.018 0.000 1.300 2180 F CB 0.445 39.455 39.000 0.017 0.000 1.071 2180 F HN -0.264 nan 8.300 nan 0.000 0.578 2181 K N 0.678 121.160 120.400 0.137 0.000 2.447 2181 K HA 0.250 4.570 4.320 0.000 0.000 0.281 2181 K C 1.223 177.873 176.600 0.084 0.000 1.031 2181 K CA 0.773 57.148 56.287 0.148 0.000 1.019 2181 K CB 0.275 32.850 32.500 0.124 0.000 0.918 2181 K HN 0.330 nan 8.250 nan 0.000 0.476 2182 G N 1.840 110.707 108.800 0.112 0.000 2.168 2182 G HA2 -0.364 3.596 3.960 0.000 0.000 0.263 2182 G HA3 -0.364 3.596 3.960 0.000 0.000 0.263 2182 G C 1.002 175.867 174.900 -0.058 0.000 0.977 2182 G CA 0.891 46.011 45.100 0.033 0.000 0.659 2182 G HN 0.695 nan 8.290 nan 0.000 0.533 2183 S N -0.712 114.958 115.700 -0.050 0.000 2.402 2183 S HA 0.005 4.475 4.470 0.000 0.000 0.229 2183 S C 2.252 176.648 174.600 -0.341 0.000 1.021 2183 S CA 1.684 59.727 58.200 -0.261 0.000 0.974 2183 S CB -0.270 62.947 63.200 0.029 0.000 0.800 2183 S HN 0.740 nan 8.310 nan 0.000 0.484 2184 M N 2.199 121.821 119.600 0.037 0.000 2.117 2184 M HA -0.170 4.310 4.480 0.000 0.000 0.262 2184 M C 2.184 178.512 176.300 0.046 0.000 1.065 2184 M CA 2.327 57.735 55.300 0.179 0.000 1.114 2184 M CB -0.336 32.431 32.600 0.277 0.000 1.361 2184 M HN 0.499 nan 8.290 nan 0.000 0.408 2185 E N 0.200 120.399 120.200 -0.001 0.000 2.153 2185 E HA -0.215 4.135 4.350 0.000 0.000 0.194 2185 E C 1.450 178.013 176.600 -0.062 0.000 0.988 2185 E CA 1.953 58.346 56.400 -0.011 0.000 0.811 2185 E CB -0.604 29.090 29.700 -0.010 0.000 0.746 2185 E HN 0.674 nan 8.360 nan 0.000 0.466 2186 E N 0.221 120.306 120.200 -0.192 0.000 2.028 2186 E HA -0.136 4.214 4.350 0.000 0.000 0.191 2186 E C 1.887 178.415 176.600 -0.119 0.000 0.988 2186 E CA 1.442 57.682 56.400 -0.267 0.000 0.799 2186 E CB -0.387 28.976 29.700 -0.562 0.000 0.755 2186 E HN 0.461 nan 8.360 nan 0.000 0.447 2187 W N 1.527 122.837 121.300 0.016 0.000 2.358 2187 W HA -0.191 4.469 4.660 0.000 0.000 0.303 2187 W C 2.522 179.012 176.519 -0.048 0.000 1.208 2187 W CA 0.287 57.614 57.345 -0.030 0.000 1.274 2187 W CB -0.148 29.257 29.460 -0.091 0.000 1.138 2187 W HN 0.124 nan 8.180 nan 0.000 0.515 2188 Q N 0.333 120.231 119.800 0.163 0.000 2.061 2188 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 2188 Q C 2.488 178.531 176.000 0.071 0.000 0.984 2188 Q CA 1.804 57.658 55.803 0.085 0.000 0.846 2188 Q CB -0.650 28.121 28.738 0.056 0.000 0.902 2188 Q HN 0.327 nan 8.270 nan 0.000 0.421 2189 A N 0.475 123.328 122.820 0.054 0.000 2.019 2189 A HA -0.119 4.201 4.320 0.000 0.000 0.219 2189 A C 1.865 179.483 177.584 0.056 0.000 1.164 2189 A CA 1.149 53.209 52.037 0.038 0.000 0.644 2189 A CB -0.333 18.673 19.000 0.011 0.000 0.805 2189 A HN 0.307 nan 8.150 nan 0.000 0.449 2190 M N -1.488 118.172 119.600 0.100 0.000 2.561 2190 M HA 0.166 4.646 4.480 0.000 0.000 0.238 2190 M C 1.337 177.691 176.300 0.090 0.000 1.131 2190 M CA 0.782 56.151 55.300 0.114 0.000 1.046 2190 M CB 0.288 33.011 32.600 0.204 0.000 1.532 2190 M HN 0.619 nan 8.290 nan 0.000 0.497 2191 G N 0.536 109.383 108.800 0.079 0.000 2.157 2191 G HA2 -0.199 3.761 3.960 0.000 0.000 0.239 2191 G HA3 -0.199 3.761 3.960 0.000 0.000 0.239 2191 G C 0.086 175.011 174.900 0.041 0.000 0.982 2191 G CA -0.250 44.886 45.100 0.059 0.000 0.650 2191 G HN 0.288 nan 8.290 nan 0.000 0.527 2192 V N 2.074 122.012 119.914 0.039 0.000 2.617 2192 V HA 0.142 4.262 4.120 0.000 0.000 0.304 2192 V C 1.919 177.968 176.094 -0.074 0.000 1.040 2192 V CA 1.280 63.554 62.300 -0.043 0.000 1.149 2192 V CB 1.071 32.839 31.823 -0.091 0.000 0.914 2192 V HN 0.416 nan 8.190 nan 0.000 0.487 2193 M N 3.214 122.755 119.600 -0.098 0.000 2.193 2193 M HA 0.089 4.569 4.480 0.000 0.000 0.265 2193 M C 0.748 176.953 176.300 -0.157 0.000 1.071 2193 M CA 1.135 56.364 55.300 -0.117 0.000 1.140 2193 M CB -0.077 32.471 32.600 -0.086 0.000 1.369 2193 M HN 0.963 nan 8.290 nan 0.000 0.423 2194 N N -1.808 116.778 118.700 -0.191 0.000 3.179 2194 N HA 0.176 4.916 4.740 0.000 0.000 0.250 2194 N C -1.933 173.418 175.510 -0.266 0.000 1.507 2194 N CA -0.674 52.258 53.050 -0.196 0.000 0.883 2194 N CB 1.234 39.666 38.487 -0.091 0.000 1.435 2194 N HN -0.087 nan 8.380 nan 0.000 0.532 2195 Y N -0.426 119.819 120.300 -0.092 0.000 2.429 2195 Y HA 0.533 5.083 4.550 0.000 0.000 0.342 2195 Y C 0.103 175.938 175.900 -0.108 0.000 1.004 2195 Y CA -0.178 57.850 58.100 -0.119 0.000 1.075 2195 Y CB 1.707 40.077 38.460 -0.151 0.000 1.214 2195 Y HN 0.811 nan 8.280 nan 0.000 0.455 2196 E N -0.129 120.123 120.200 0.086 0.000 2.425 2196 E HA 0.519 4.869 4.350 0.000 0.000 0.272 2196 E C -1.255 175.355 176.600 0.017 0.000 1.061 2196 E CA -0.758 55.661 56.400 0.032 0.000 0.877 2196 E CB 1.190 30.900 29.700 0.015 0.000 1.590 2196 E HN 0.469 nan 8.360 nan 0.000 0.462 2197 M N -0.320 119.288 119.600 0.013 0.000 2.414 2197 M HA 0.346 4.826 4.480 0.000 0.000 0.357 2197 M C -0.278 176.023 176.300 0.002 0.000 1.059 2197 M CA 0.157 55.460 55.300 0.006 0.000 0.959 2197 M CB 0.686 33.297 32.600 0.017 0.000 1.522 2197 M HN 0.531 nan 8.290 nan 0.000 0.551 2198 E N -0.853 119.346 120.200 -0.002 0.000 2.568 2198 E HA 0.069 4.419 4.350 0.000 0.000 0.220 2198 E C 1.790 178.374 176.600 -0.026 0.000 0.869 2198 E CA 0.568 56.961 56.400 -0.011 0.000 1.268 2198 E CB 0.344 30.042 29.700 -0.003 0.000 1.252 2198 E HN 0.303 nan 8.360 nan 0.000 0.606 2199 S N 0.976 116.663 115.700 -0.022 0.000 2.382 2199 S HA -0.138 4.332 4.470 0.000 0.000 0.228 2199 S C 2.215 176.793 174.600 -0.036 0.000 1.027 2199 S CA 1.099 59.281 58.200 -0.029 0.000 0.991 2199 S CB -0.301 62.886 63.200 -0.022 0.000 0.823 2199 S HN 0.231 nan 8.310 nan 0.000 0.469 2200 A N 1.628 124.431 122.820 -0.029 0.000 1.908 2200 A HA -0.049 4.272 4.320 0.000 0.000 0.218 2200 A C 2.464 180.031 177.584 -0.029 0.000 1.181 2200 A CA 2.217 54.243 52.037 -0.018 0.000 0.627 2200 A CB -1.706 17.290 19.000 -0.006 0.000 0.818 2200 A HN 0.589 nan 8.150 nan 0.000 0.445 2201 T N -0.052 114.475 114.554 -0.046 0.000 2.737 2201 T HA -0.107 4.243 4.350 0.000 0.000 0.265 2201 T C 1.874 176.462 174.700 -0.186 0.000 1.038 2201 T CA 1.458 63.506 62.100 -0.086 0.000 1.144 2201 T CB -0.417 68.411 68.868 -0.067 0.000 0.866 2201 T HN 0.351 nan 8.240 nan 0.000 0.434 2202 L N 1.262 122.389 121.223 -0.160 0.000 1.970 2202 L HA -0.032 4.308 4.340 0.000 0.000 0.212 2202 L C 2.194 178.944 176.870 -0.199 0.000 1.071 2202 L CA 1.761 56.474 54.840 -0.211 0.000 0.751 2202 L CB -0.854 41.125 42.059 -0.134 0.000 0.889 2202 L HN 0.248 nan 8.230 nan 0.000 0.432 2203 L N -1.182 119.978 121.223 -0.104 0.000 2.046 2203 L HA -0.199 4.141 4.340 0.000 0.000 0.208 2203 L C 2.363 179.210 176.870 -0.039 0.000 1.077 2203 L CA 1.751 56.561 54.840 -0.050 0.000 0.747 2203 L CB -1.211 40.847 42.059 -0.002 0.000 0.896 2203 L HN 0.327 nan 8.230 nan 0.000 0.432 2204 T N 0.581 115.104 114.554 -0.051 0.000 2.737 2204 T HA -0.196 4.154 4.350 0.000 0.000 0.265 2204 T C 1.858 176.437 174.700 -0.202 0.000 1.038 2204 T CA 1.860 63.939 62.100 -0.034 0.000 1.144 2204 T CB -0.233 68.641 68.868 0.011 0.000 0.866 2204 T HN 0.447 nan 8.240 nan 0.000 0.434 2205 M N 0.080 119.436 119.600 -0.406 0.000 2.296 2205 M HA 0.012 4.492 4.480 0.000 0.000 0.265 2205 M C 2.199 178.243 176.300 -0.427 0.000 1.064 2205 M CA 1.378 56.245 55.300 -0.722 0.000 1.109 2205 M CB -1.055 30.629 32.600 -1.527 0.000 1.396 2205 M HN 0.176 nan 8.290 nan 0.000 0.430 2206 C N 1.333 120.449 119.300 -0.307 0.000 2.518 2206 C HA 0.202 4.662 4.460 0.000 0.000 0.279 2206 C C 3.278 178.237 174.990 -0.052 0.000 1.279 2206 C CA 0.989 59.903 59.018 -0.174 0.000 1.703 2206 C CB -0.999 26.657 27.740 -0.140 0.000 2.072 2206 C HN 0.753 nan 8.230 nan 0.000 0.487 2207 A N 0.975 123.797 122.820 0.003 0.000 2.070 2207 A HA -0.125 4.195 4.320 0.000 0.000 0.220 2207 A C 2.082 179.733 177.584 0.111 0.000 1.159 2207 A CA 2.093 54.209 52.037 0.131 0.000 0.656 2207 A CB -0.565 18.605 19.000 0.283 0.000 0.800 2207 A HN 0.721 nan 8.150 nan 0.000 0.453 2208 S N -1.900 113.718 115.700 -0.135 0.000 2.577 2208 S HA 0.212 4.682 4.470 0.000 0.000 0.219 2208 S C 0.723 175.257 174.600 -0.110 0.000 0.962 2208 S CA 0.061 58.080 58.200 -0.301 0.000 0.921 2208 S CB 0.075 62.857 63.200 -0.697 0.000 0.789 2208 S HN 0.624 nan 8.310 nan 0.000 0.497 2209 Q N 0.366 120.139 119.800 -0.046 0.000 2.055 2209 Q HA 0.342 4.682 4.340 0.000 0.000 0.226 2209 Q C 0.609 176.625 176.000 0.027 0.000 0.805 2209 Q CA -0.028 55.773 55.803 -0.004 0.000 1.072 2209 Q CB 0.966 29.698 28.738 -0.010 0.000 1.219 2209 Q HN 0.594 nan 8.270 nan 0.000 0.451 2210 G N 1.468 110.294 108.800 0.043 0.000 2.203 2210 G HA2 -0.285 3.675 3.960 0.000 0.000 0.263 2210 G HA3 -0.285 3.675 3.960 0.000 0.000 0.263 2210 G C -0.081 174.863 174.900 0.074 0.000 1.012 2210 G CA 0.373 45.510 45.100 0.061 0.000 0.749 2210 G HN 0.293 nan 8.290 nan 0.000 0.512 2211 L N -0.452 120.818 121.223 0.079 0.000 2.325 2211 L HA 0.601 4.941 4.340 0.000 0.000 0.278 2211 L C 0.954 177.906 176.870 0.136 0.000 1.023 2211 L CA -1.117 53.805 54.840 0.137 0.000 0.811 2211 L CB 1.418 43.582 42.059 0.176 0.000 1.249 2211 L HN 0.047 nan 8.230 nan 0.000 0.431 2212 R N 2.001 122.598 120.500 0.162 0.000 2.308 2212 R HA 0.737 5.077 4.340 0.000 0.000 0.305 2212 R C -0.634 175.774 176.300 0.180 0.000 1.053 2212 R CA -0.393 55.787 56.100 0.134 0.000 0.957 2212 R CB 1.465 31.820 30.300 0.091 0.000 1.022 2212 R HN 0.714 nan 8.270 nan 0.000 0.461 2213 A N 1.444 124.339 122.820 0.126 0.000 2.539 2213 A HA 0.841 5.161 4.320 0.000 0.000 0.296 2213 A C -0.801 176.826 177.584 0.072 0.000 1.073 2213 A CA -0.608 51.501 52.037 0.120 0.000 0.700 2213 A CB 2.336 21.375 19.000 0.065 0.000 1.296 2213 A HN 0.763 nan 8.150 nan 0.000 0.405 2214 G N -0.292 108.546 108.800 0.063 0.000 2.692 2214 G HA2 0.668 4.628 3.960 0.000 0.000 0.291 2214 G HA3 0.668 4.628 3.960 0.000 0.000 0.291 2214 G C -1.262 173.657 174.900 0.031 0.000 1.423 2214 G CA -0.323 44.798 45.100 0.035 0.000 0.843 2214 G HN 1.200 nan 8.290 nan 0.000 0.486 2215 M N 1.220 120.831 119.600 0.018 0.000 2.371 2215 M HA 0.696 5.176 4.480 0.000 0.000 0.287 2215 M C -2.022 174.284 176.300 0.010 0.000 1.149 2215 M CA -0.854 54.455 55.300 0.015 0.000 0.929 2215 M CB 2.340 34.946 32.600 0.011 0.000 1.683 2215 M HN 0.688 nan 8.290 nan 0.000 0.470 2216 V N 3.888 123.808 119.914 0.011 0.000 2.789 2216 V HA 1.031 5.151 4.120 0.000 0.000 0.311 2216 V C -1.542 174.559 176.094 0.012 0.000 1.073 2216 V CA -0.044 62.262 62.300 0.009 0.000 0.921 2216 V CB 1.980 33.806 31.823 0.006 0.000 1.009 2216 V HN 1.065 nan 8.190 nan 0.000 0.426 2217 A N 3.867 126.696 122.820 0.014 0.000 2.520 2217 A HA 0.887 5.207 4.320 0.000 0.000 0.298 2217 A C -0.234 177.361 177.584 0.018 0.000 1.051 2217 A CA -0.128 51.917 52.037 0.014 0.000 0.690 2217 A CB 1.842 20.848 19.000 0.010 0.000 1.281 2217 A HN 1.547 nan 8.150 nan 0.000 0.402 2218 G N 0.291 109.099 108.800 0.014 0.000 2.332 2218 G HA2 0.520 4.480 3.960 0.000 0.000 0.310 2218 G HA3 0.520 4.480 3.960 0.000 0.000 0.310 2218 G C -0.440 174.465 174.900 0.007 0.000 1.123 2218 G CA -0.330 44.778 45.100 0.014 0.000 0.873 2218 G HN 0.900 nan 8.290 nan 0.000 0.460 2219 V N 3.979 123.901 119.914 0.013 0.000 2.439 2219 V HA 0.105 4.225 4.120 0.000 0.000 0.271 2219 V C 1.352 177.444 176.094 -0.003 0.000 1.040 2219 V CA 0.074 62.377 62.300 0.005 0.000 1.002 2219 V CB 0.637 32.465 31.823 0.009 0.000 1.000 2219 V HN 0.773 nan 8.190 nan 0.000 0.477 2220 I N 3.221 123.789 120.570 -0.005 0.000 4.035 2220 I HA 0.483 4.653 4.170 0.000 0.000 0.321 2220 I C 0.358 176.473 176.117 -0.003 0.000 1.289 2220 I CA 0.379 61.674 61.300 -0.008 0.000 1.236 2220 I CB 0.991 38.987 38.000 -0.007 0.000 1.076 2220 I HN 0.438 nan 8.210 nan 0.000 0.418 2221 V N 1.144 121.058 119.914 -0.000 0.000 3.216 2221 V HA 0.534 4.654 4.120 0.000 0.000 0.302 2221 V C -1.894 174.197 176.094 -0.005 0.000 1.286 2221 V CA -0.560 61.741 62.300 0.002 0.000 1.048 2221 V CB 2.450 34.280 31.823 0.012 0.000 1.081 2221 V HN 0.377 nan 8.190 nan 0.000 0.442 2222 N N 2.676 121.374 118.700 -0.004 0.000 2.581 2222 N HA 0.311 5.051 4.740 0.000 0.000 0.279 2222 N C 0.741 176.253 175.510 0.002 0.000 1.124 2222 N CA -0.362 52.682 53.050 -0.010 0.000 0.833 2222 N CB 1.764 40.237 38.487 -0.022 0.000 1.338 2222 N HN 0.826 nan 8.380 nan 0.000 0.533 2223 R N 0.674 121.180 120.500 0.010 0.000 2.293 2223 R HA -0.078 4.262 4.340 0.000 0.000 0.219 2223 R C 1.072 177.388 176.300 0.026 0.000 1.091 2223 R CA 1.755 57.868 56.100 0.022 0.000 1.004 2223 R CB -0.578 29.739 30.300 0.029 0.000 0.865 2223 R HN 0.421 nan 8.270 nan 0.000 0.469 2224 T N -2.680 111.885 114.554 0.018 0.000 3.067 2224 T HA 0.025 4.375 4.350 0.000 0.000 0.257 2224 T C 0.818 175.527 174.700 0.016 0.000 1.105 2224 T CA 0.012 62.124 62.100 0.020 0.000 1.104 2224 T CB 0.145 69.022 68.868 0.015 0.000 0.925 2224 T HN 0.317 nan 8.240 nan 0.000 0.498 2235 K N 1.963 122.326 120.400 -0.062 0.000 2.000 2235 K HA -0.200 4.120 4.320 0.000 0.000 0.218 2235 K C 1.648 178.183 176.600 -0.109 0.000 1.053 2235 K CA 3.098 59.343 56.287 -0.069 0.000 0.946 2235 K CB -0.156 32.312 32.500 -0.053 0.000 0.723 2235 K HN 0.663 nan 8.250 nan 0.000 0.446 2236 Q N -0.434 119.281 119.800 -0.141 0.000 2.061 2236 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 2236 Q C 2.199 177.915 176.000 -0.474 0.000 0.984 2236 Q CA 2.272 57.916 55.803 -0.264 0.000 0.846 2236 Q CB -0.302 28.299 28.738 -0.229 0.000 0.902 2236 Q HN 0.461 nan 8.270 nan 0.000 0.421 2237 T N 1.288 115.649 114.554 -0.321 0.000 2.684 2237 T HA -0.175 4.175 4.350 0.000 0.000 0.267 2237 T C 1.579 176.184 174.700 -0.157 0.000 1.036 2237 T CA 1.457 63.402 62.100 -0.258 0.000 1.148 2237 T CB -0.207 68.592 68.868 -0.115 0.000 0.863 2237 T HN 0.342 nan 8.240 nan 0.000 0.436 2238 E N 0.922 121.056 120.200 -0.111 0.000 2.077 2238 E HA -0.099 4.251 4.350 0.000 0.000 0.193 2238 E C 2.621 179.198 176.600 -0.039 0.000 0.989 2238 E CA 1.249 57.614 56.400 -0.058 0.000 0.800 2238 E CB -0.158 29.512 29.700 -0.051 0.000 0.746 2238 E HN 0.367 nan 8.360 nan 0.000 0.452 2239 S N 0.035 115.699 115.700 -0.059 0.000 2.356 2239 S HA -0.174 4.296 4.470 0.000 0.000 0.223 2239 S C 1.722 176.383 174.600 0.103 0.000 1.032 2239 S CA 1.062 59.266 58.200 0.006 0.000 1.005 2239 S CB -0.425 62.782 63.200 0.012 0.000 0.867 2239 S HN 0.421 nan 8.310 nan 0.000 0.449 2240 H N 1.095 120.155 119.070 -0.017 0.000 2.290 2240 H HA -0.096 4.460 4.556 0.000 0.000 0.298 2240 H C 2.555 177.872 175.328 -0.018 0.000 1.087 2240 H CA 0.923 56.961 56.048 -0.017 0.000 1.291 2240 H CB -0.222 29.530 29.762 -0.016 0.000 1.369 2240 H HN 0.452 nan 8.280 nan 0.000 0.492 2241 A N 0.798 123.688 122.820 0.117 0.000 1.883 2241 A HA -0.162 4.158 4.320 0.000 0.000 0.217 2241 A C 2.679 180.282 177.584 0.032 0.000 1.186 2241 A CA 1.753 53.822 52.037 0.054 0.000 0.624 2241 A CB -0.896 18.121 19.000 0.029 0.000 0.822 2241 A HN 0.214 nan 8.150 nan 0.000 0.444 2242 V N 0.158 120.087 119.914 0.026 0.000 2.343 2242 V HA -0.287 3.833 4.120 0.000 0.000 0.247 2242 V C 2.446 178.545 176.094 0.009 0.000 1.051 2242 V CA 2.383 64.688 62.300 0.009 0.000 1.036 2242 V CB -0.690 31.130 31.823 -0.004 0.000 0.654 2242 V HN 0.563 nan 8.190 nan 0.000 0.451 2243 K N -0.204 120.209 120.400 0.022 0.000 2.057 2243 K HA -0.091 4.229 4.320 0.000 0.000 0.207 2243 K C 2.058 178.656 176.600 -0.003 0.000 1.049 2243 K CA 1.532 57.824 56.287 0.008 0.000 0.931 2243 K CB -0.302 32.206 32.500 0.012 0.000 0.714 2243 K HN 0.389 nan 8.250 nan 0.000 0.440 2244 I N 0.505 121.076 120.570 0.002 0.000 2.179 2244 I HA -0.267 3.903 4.170 0.000 0.000 0.242 2244 I C 2.392 178.502 176.117 -0.010 0.000 1.088 2244 I CA 0.941 62.236 61.300 -0.009 0.000 1.357 2244 I CB -0.283 37.715 38.000 -0.004 0.000 1.051 2244 I HN -0.015 nan 8.210 nan 0.000 0.409 2245 V N 0.390 120.302 119.914 -0.004 0.000 2.407 2245 V HA -0.197 3.923 4.120 0.000 0.000 0.248 2245 V C 2.323 178.411 176.094 -0.009 0.000 1.055 2245 V CA 1.637 63.934 62.300 -0.005 0.000 1.049 2245 V CB 0.149 31.973 31.823 0.001 0.000 0.662 2245 V HN 0.220 nan 8.190 nan 0.000 0.455 2246 V N -0.184 119.724 119.914 -0.010 0.000 2.379 2246 V HA -0.163 3.957 4.120 0.000 0.000 0.245 2246 V C 2.461 178.546 176.094 -0.015 0.000 1.044 2246 V CA 2.106 64.399 62.300 -0.012 0.000 1.036 2246 V CB -0.516 31.300 31.823 -0.012 0.000 0.664 2246 V HN 0.640 nan 8.190 nan 0.000 0.453 2247 E N 0.792 120.982 120.200 -0.017 0.000 2.106 2247 E HA -0.141 4.209 4.350 0.000 0.000 0.192 2247 E C 2.130 178.715 176.600 -0.025 0.000 0.984 2247 E CA 1.502 57.889 56.400 -0.021 0.000 0.806 2247 E CB -0.405 29.280 29.700 -0.025 0.000 0.750 2247 E HN 0.506 nan 8.360 nan 0.000 0.458 2248 A N 0.821 123.625 122.820 -0.026 0.000 1.902 2248 A HA -0.059 4.261 4.320 0.000 0.000 0.217 2248 A C 2.452 180.018 177.584 -0.029 0.000 1.181 2248 A CA 1.974 53.992 52.037 -0.031 0.000 0.623 2248 A CB -1.066 17.916 19.000 -0.030 0.000 0.818 2248 A HN 0.380 nan 8.150 nan 0.000 0.443 2249 A N -0.449 122.357 122.820 -0.024 0.000 1.940 2249 A HA -0.209 4.111 4.320 0.000 0.000 0.219 2249 A C 2.205 179.774 177.584 -0.025 0.000 1.176 2249 A CA 1.889 53.911 52.037 -0.025 0.000 0.631 2249 A CB -0.480 18.507 19.000 -0.022 0.000 0.814 2249 A HN 0.536 nan 8.150 nan 0.000 0.446 2250 R N -0.484 120.003 120.500 -0.022 0.000 2.091 2250 R HA -0.105 4.235 4.340 0.000 0.000 0.238 2250 R C 2.191 178.478 176.300 -0.022 0.000 1.136 2250 R CA 1.768 57.856 56.100 -0.020 0.000 0.959 2250 R CB -0.178 30.111 30.300 -0.019 0.000 0.856 2250 R HN 0.562 nan 8.270 nan 0.000 0.437 2251 R N -0.346 120.138 120.500 -0.026 0.000 2.276 2251 R HA 0.022 4.362 4.340 0.000 0.000 0.203 2251 R C 1.325 177.608 176.300 -0.028 0.000 1.017 2251 R CA 0.590 56.673 56.100 -0.028 0.000 1.010 2251 R CB 0.177 30.455 30.300 -0.037 0.000 0.900 2251 R HN 0.243 nan 8.270 nan 0.000 0.469 2252 L N 0.102 121.308 121.223 -0.028 0.000 2.693 2252 L HA 0.175 4.515 4.340 0.000 0.000 0.235 2252 L C 0.070 176.924 176.870 -0.025 0.000 1.127 2252 L CA -0.412 54.412 54.840 -0.027 0.000 0.914 2252 L CB 0.182 42.223 42.059 -0.030 0.000 1.193 2252 L HN 0.029 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.208 121.223 -0.024 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 2253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502