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 1ky5_1_C DATA FIRST_RESID 2002 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTKSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIEPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY 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 2002 D HA 0.000 nan 4.640 nan 0.000 0.175 2002 D C 0.000 176.332 176.300 0.053 0.000 2.045 2002 D CA 0.000 54.022 54.000 0.036 0.000 0.868 2002 D CB 0.000 40.813 40.800 0.022 0.000 0.688 2003 K N 1.617 122.045 120.400 0.046 0.000 2.098 2003 K HA 0.590 4.916 4.320 0.010 0.000 0.257 2003 K C -0.554 176.106 176.600 0.101 0.000 0.999 2003 K CA -0.419 55.899 56.287 0.052 0.000 0.924 2003 K CB 0.858 33.363 32.500 0.009 0.000 1.028 2003 K HN 0.091 nan 8.250 nan 0.000 0.466 2004 L N 4.549 125.871 121.223 0.165 0.000 2.375 2004 L HA 0.321 4.667 4.340 0.010 0.000 0.271 2004 L C -1.341 175.702 176.870 0.288 0.000 1.107 2004 L CA -1.936 53.043 54.840 0.230 0.000 0.806 2004 L CB 1.450 43.740 42.059 0.384 0.000 1.146 2004 L HN 0.801 nan 8.230 nan 0.000 0.447 2005 P HA -0.078 nan 4.420 nan 0.000 0.220 2005 P C -0.892 176.520 177.300 0.187 0.000 1.152 2005 P CA 1.163 64.389 63.100 0.210 0.000 0.812 2005 P CB 0.220 32.051 31.700 0.218 0.000 0.792 2006 Y N -3.272 116.970 120.300 -0.098 0.000 2.765 2006 Y HA 0.688 5.244 4.550 0.010 0.000 0.350 2006 Y C -1.631 174.161 175.900 -0.180 0.000 1.196 2006 Y CA -1.754 55.968 58.100 -0.629 0.000 1.119 2006 Y CB 0.381 38.592 38.460 -0.416 0.000 1.368 2006 Y HN -0.302 nan 8.280 nan 0.000 0.463 2007 K N 2.543 122.850 120.400 -0.154 0.000 2.601 2007 K HA 0.743 5.069 4.320 0.010 0.000 0.249 2007 K C -1.870 174.940 176.600 0.351 0.000 0.966 2007 K CA -0.322 56.061 56.287 0.160 0.000 0.827 2007 K CB 2.004 34.933 32.500 0.715 0.000 1.178 2007 K HN 1.248 nan 8.250 nan 0.000 0.437 2008 V N 0.531 120.573 119.914 0.213 0.000 3.182 2008 V HA 0.832 4.958 4.120 0.010 0.000 0.308 2008 V C 0.617 176.753 176.094 0.070 0.000 1.240 2008 V CA -0.149 62.321 62.300 0.284 0.000 1.063 2008 V CB 1.299 33.300 31.823 0.297 0.000 1.076 2008 V HN 0.700 nan 8.190 nan 0.000 0.446 2009 A N 0.464 123.365 122.820 0.136 0.000 1.825 2009 A HA 0.141 4.467 4.320 0.010 0.000 0.214 2009 A C 0.933 178.538 177.584 0.034 0.000 1.206 2009 A CA 2.209 54.269 52.037 0.038 0.000 0.609 2009 A CB -0.564 18.523 19.000 0.146 0.000 0.851 2009 A HN 1.200 nan 8.150 nan 0.000 0.445 2010 D N -1.836 118.617 120.400 0.089 0.000 2.336 2010 D HA 0.295 4.941 4.640 0.010 0.000 0.248 2010 D C 0.072 176.433 176.300 0.102 0.000 1.326 2010 D CA -0.476 53.574 54.000 0.084 0.000 0.973 2010 D CB 0.414 41.266 40.800 0.087 0.000 1.255 2010 D HN 0.160 nan 8.370 nan 0.000 0.558 2011 I N 2.389 123.023 120.570 0.107 0.000 3.010 2011 I HA -0.009 4.167 4.170 0.010 0.000 0.271 2011 I C 1.748 177.905 176.117 0.067 0.000 1.293 2011 I CA 0.986 62.336 61.300 0.084 0.000 1.452 2011 I CB 0.309 38.364 38.000 0.091 0.000 1.082 2011 I HN 0.528 nan 8.210 nan 0.000 0.484 2012 G N 0.029 108.879 108.800 0.082 0.000 2.848 2012 G HA2 -0.087 3.879 3.960 0.010 0.000 0.208 2012 G HA3 -0.087 3.879 3.960 0.010 0.000 0.208 2012 G C 1.127 176.101 174.900 0.123 0.000 1.152 2012 G CA -0.042 45.109 45.100 0.085 0.000 0.789 2012 G HN 0.251 nan 8.290 nan 0.000 0.531 2013 L N 0.723 122.031 121.223 0.141 0.000 2.591 2013 L HA 0.365 4.711 4.340 0.010 0.000 0.228 2013 L C 2.741 179.709 176.870 0.163 0.000 1.133 2013 L CA 0.209 55.178 54.840 0.216 0.000 0.880 2013 L CB -0.597 41.582 42.059 0.201 0.000 1.033 2013 L HN 0.232 nan 8.230 nan 0.000 0.450 2014 A N 0.526 123.400 122.820 0.088 0.000 1.859 2014 A HA -0.271 4.055 4.320 0.010 0.000 0.217 2014 A C 2.578 180.199 177.584 0.062 0.000 1.198 2014 A CA 2.238 54.295 52.037 0.033 0.000 0.629 2014 A CB -0.876 18.125 19.000 0.003 0.000 0.830 2014 A HN 0.379 nan 8.150 nan 0.000 0.446 2015 A N -1.582 121.299 122.820 0.100 0.000 1.884 2015 A HA -0.271 4.055 4.320 0.010 0.000 0.219 2015 A C 2.026 179.730 177.584 0.200 0.000 1.197 2015 A CA 2.223 54.331 52.037 0.118 0.000 0.637 2015 A CB -1.122 17.946 19.000 0.114 0.000 0.827 2015 A HN 1.055 nan 8.150 nan 0.000 0.450 2016 W N 0.842 122.172 121.300 0.051 0.000 2.381 2016 W HA 0.007 4.673 4.660 0.010 0.000 0.301 2016 W C 2.141 178.706 176.519 0.077 0.000 1.205 2016 W CA 1.381 58.776 57.345 0.083 0.000 1.285 2016 W CB -1.001 28.533 29.460 0.123 0.000 1.133 2016 W HN 0.226 nan 8.180 nan 0.000 0.521 2017 G N 0.762 109.525 108.800 -0.061 0.000 2.421 2017 G HA2 -0.336 3.630 3.960 0.010 0.000 0.216 2017 G HA3 -0.336 3.630 3.960 0.010 0.000 0.216 2017 G C 1.639 176.415 174.900 -0.207 0.000 1.171 2017 G CA 1.353 46.221 45.100 -0.386 0.000 0.775 2017 G HN 0.211 nan 8.290 nan 0.000 0.543 2018 R N 1.222 121.678 120.500 -0.074 0.000 2.096 2018 R HA -0.066 4.280 4.340 0.010 0.000 0.240 2018 R C 2.476 178.769 176.300 -0.010 0.000 1.139 2018 R CA 1.831 57.904 56.100 -0.044 0.000 0.952 2018 R CB -0.641 29.653 30.300 -0.010 0.000 0.854 2018 R HN 0.402 nan 8.270 nan 0.000 0.436 2019 K N -0.359 120.074 120.400 0.055 0.000 2.063 2019 K HA -0.081 4.245 4.320 0.010 0.000 0.208 2019 K C 2.095 178.734 176.600 0.065 0.000 1.048 2019 K CA 1.485 57.823 56.287 0.085 0.000 0.928 2019 K CB -0.294 32.304 32.500 0.162 0.000 0.713 2019 K HN 0.272 nan 8.250 nan 0.000 0.442 2020 A N 1.869 124.712 122.820 0.038 0.000 1.883 2020 A HA -0.151 4.175 4.320 0.010 0.000 0.217 2020 A C 2.200 179.753 177.584 -0.052 0.000 1.186 2020 A CA 1.296 53.323 52.037 -0.016 0.000 0.624 2020 A CB -0.710 18.164 19.000 -0.210 0.000 0.822 2020 A HN 0.155 nan 8.150 nan 0.000 0.444 2021 L N -0.502 120.663 121.223 -0.097 0.000 2.017 2021 L HA -0.220 4.126 4.340 0.010 0.000 0.208 2021 L C 2.215 179.068 176.870 -0.029 0.000 1.073 2021 L CA 1.695 56.489 54.840 -0.077 0.000 0.745 2021 L CB -0.829 41.171 42.059 -0.098 0.000 0.894 2021 L HN 0.342 nan 8.230 nan 0.000 0.432 2022 D N 0.263 120.655 120.400 -0.014 0.000 2.117 2022 D HA -0.168 4.478 4.640 0.010 0.000 0.197 2022 D C 2.258 178.569 176.300 0.019 0.000 0.987 2022 D CA 1.226 55.228 54.000 0.003 0.000 0.829 2022 D CB -0.169 40.637 40.800 0.010 0.000 0.961 2022 D HN 0.301 nan 8.370 nan 0.000 0.460 2023 I N 0.972 121.561 120.570 0.031 0.000 2.286 2023 I HA -0.244 3.932 4.170 0.010 0.000 0.248 2023 I C 2.393 178.537 176.117 0.046 0.000 1.115 2023 I CA 1.050 62.377 61.300 0.044 0.000 1.392 2023 I CB -0.427 37.611 38.000 0.063 0.000 1.065 2023 I HN -0.058 nan 8.210 nan 0.000 0.418 2024 A N 0.523 123.366 122.820 0.039 0.000 1.930 2024 A HA -0.193 4.133 4.320 0.010 0.000 0.217 2024 A C 2.210 179.824 177.584 0.049 0.000 1.175 2024 A CA 1.372 53.437 52.037 0.047 0.000 0.627 2024 A CB -0.524 18.494 19.000 0.030 0.000 0.815 2024 A HN 0.405 nan 8.150 nan 0.000 0.443 2025 E N -0.381 119.838 120.200 0.030 0.000 2.118 2025 E HA -0.229 4.127 4.350 0.010 0.000 0.195 2025 E C 1.842 178.465 176.600 0.039 0.000 0.992 2025 E CA 1.260 57.676 56.400 0.027 0.000 0.804 2025 E CB -0.259 29.446 29.700 0.009 0.000 0.741 2025 E HN 0.788 nan 8.360 nan 0.000 0.458 2026 N N 0.066 118.792 118.700 0.042 0.000 2.443 2026 N HA -0.156 4.591 4.740 0.010 0.000 0.184 2026 N C 1.481 177.041 175.510 0.083 0.000 1.037 2026 N CA 0.475 53.555 53.050 0.049 0.000 0.896 2026 N CB 0.275 38.787 38.487 0.041 0.000 0.959 2026 N HN 0.077 nan 8.380 nan 0.000 0.442 2027 E N -0.235 120.030 120.200 0.107 0.000 2.452 2027 E HA 0.058 4.414 4.350 0.010 0.000 0.197 2027 E C -0.108 176.630 176.600 0.230 0.000 1.022 2027 E CA 0.253 56.767 56.400 0.190 0.000 0.890 2027 E CB 0.424 30.229 29.700 0.175 0.000 0.918 2027 E HN 0.491 nan 8.360 nan 0.000 0.496 2028 M N 1.284 120.954 119.600 0.116 0.000 2.628 2028 M HA 0.258 4.744 4.480 0.010 0.000 0.327 2028 M C -2.201 174.100 176.300 0.001 0.000 1.223 2028 M CA -1.716 53.622 55.300 0.063 0.000 1.221 2028 M CB 0.776 33.410 32.600 0.056 0.000 1.202 2028 M HN -0.287 nan 8.290 nan 0.000 0.473 2029 P HA -0.107 nan 4.420 nan 0.000 0.213 2029 P C 1.713 178.842 177.300 -0.285 0.000 1.170 2029 P CA 1.658 64.645 63.100 -0.187 0.000 0.898 2029 P CB 0.052 31.599 31.700 -0.254 0.000 0.787 2030 G N 0.320 108.793 108.800 -0.544 0.000 2.529 2030 G HA2 -0.278 3.688 3.960 0.010 0.000 0.219 2030 G HA3 -0.278 3.688 3.960 0.010 0.000 0.219 2030 G C 1.613 176.478 174.900 -0.060 0.000 1.177 2030 G CA 0.790 45.721 45.100 -0.282 0.000 0.773 2030 G HN 0.196 nan 8.290 nan 0.000 0.573 2031 L N -0.075 121.151 121.223 0.005 0.000 2.012 2031 L HA -0.123 4.223 4.340 0.010 0.000 0.210 2031 L C 3.085 179.960 176.870 0.008 0.000 1.073 2031 L CA 1.174 56.037 54.840 0.038 0.000 0.748 2031 L CB -0.353 41.748 42.059 0.070 0.000 0.891 2031 L HN 0.238 nan 8.230 nan 0.000 0.431 2032 M N -0.966 118.624 119.600 -0.017 0.000 2.394 2032 M HA -0.142 4.344 4.480 0.010 0.000 0.264 2032 M C 2.223 178.501 176.300 -0.037 0.000 1.073 2032 M CA 1.213 56.499 55.300 -0.022 0.000 1.111 2032 M CB -1.191 31.395 32.600 -0.024 0.000 1.401 2032 M HN 0.163 nan 8.290 nan 0.000 0.448 2033 R N 0.818 121.285 120.500 -0.055 0.000 2.119 2033 R HA 0.048 4.394 4.340 0.010 0.000 0.222 2033 R C 1.848 178.118 176.300 -0.050 0.000 1.088 2033 R CA 1.205 57.264 56.100 -0.068 0.000 0.984 2033 R CB -0.292 29.951 30.300 -0.093 0.000 0.884 2033 R HN 0.157 nan 8.270 nan 0.000 0.447 2034 M N 0.011 119.620 119.600 0.015 0.000 2.319 2034 M HA 0.004 4.490 4.480 0.010 0.000 0.265 2034 M C 1.945 178.306 176.300 0.101 0.000 1.068 2034 M CA 1.390 56.764 55.300 0.123 0.000 1.118 2034 M CB -0.603 32.088 32.600 0.151 0.000 1.395 2034 M HN 0.164 nan 8.290 nan 0.000 0.435 2035 R N 0.584 121.103 120.500 0.031 0.000 2.062 2035 R HA -0.121 4.225 4.340 0.010 0.000 0.229 2035 R C 1.994 178.281 176.300 -0.022 0.000 1.128 2035 R CA 1.426 57.536 56.100 0.017 0.000 0.960 2035 R CB -0.283 30.016 30.300 -0.001 0.000 0.855 2035 R HN 0.548 nan 8.270 nan 0.000 0.432 2036 E N 0.341 120.509 120.200 -0.054 0.000 2.472 2036 E HA -0.150 4.206 4.350 0.010 0.000 0.200 2036 E C 1.408 177.924 176.600 -0.140 0.000 1.046 2036 E CA 0.947 57.301 56.400 -0.078 0.000 0.871 2036 E CB 0.132 29.790 29.700 -0.071 0.000 0.806 2036 E HN 0.353 nan 8.360 nan 0.000 0.533 2037 M N -0.923 118.536 119.600 -0.236 0.000 2.538 2037 M HA 0.132 4.618 4.480 0.010 0.000 0.259 2037 M C 0.278 176.241 176.300 -0.563 0.000 1.217 2037 M CA 0.210 55.218 55.300 -0.486 0.000 1.131 2037 M CB 0.685 32.804 32.600 -0.802 0.000 1.382 2037 M HN 0.063 nan 8.290 nan 0.000 0.520 2038 Y N -0.675 119.624 120.300 -0.001 0.000 2.682 2038 Y HA 0.365 4.921 4.550 0.010 0.000 0.251 2038 Y C 2.014 177.915 175.900 0.003 0.000 1.172 2038 Y CA -0.296 57.807 58.100 0.005 0.000 1.186 2038 Y CB -0.099 38.366 38.460 0.007 0.000 1.216 2038 Y HN 0.017 nan 8.280 nan 0.000 0.540 2039 S N 0.462 116.214 115.700 0.087 0.000 2.368 2039 S HA -0.176 4.300 4.470 0.010 0.000 0.224 2039 S C 2.328 176.958 174.600 0.050 0.000 1.029 2039 S CA 1.429 59.662 58.200 0.055 0.000 0.988 2039 S CB -0.215 62.995 63.200 0.018 0.000 0.838 2039 S HN 0.565 nan 8.310 nan 0.000 0.462 2040 A N 1.409 124.254 122.820 0.041 0.000 1.872 2040 A HA -0.026 4.300 4.320 0.010 0.000 0.214 2040 A C 2.255 179.873 177.584 0.058 0.000 1.187 2040 A CA 1.723 53.783 52.037 0.038 0.000 0.614 2040 A CB -0.846 18.168 19.000 0.023 0.000 0.826 2040 A HN 0.490 nan 8.150 nan 0.000 0.442 2041 S N 0.278 116.030 115.700 0.087 0.000 2.447 2041 S HA -0.053 4.423 4.470 0.010 0.000 0.233 2041 S C 0.483 175.143 174.600 0.099 0.000 1.006 2041 S CA 0.807 59.069 58.200 0.104 0.000 0.957 2041 S CB -0.318 62.976 63.200 0.158 0.000 0.773 2041 S HN 0.562 nan 8.310 nan 0.000 0.507 2042 K N 0.584 121.044 120.400 0.100 0.000 3.730 2042 K HA -0.136 4.190 4.320 0.010 0.000 0.276 2042 K C -2.274 174.374 176.600 0.081 0.000 0.904 2042 K CA 0.673 57.005 56.287 0.076 0.000 0.741 2042 K CB -1.399 31.135 32.500 0.056 0.000 1.542 2042 K HN 0.389 nan 8.250 nan 0.000 0.446 2043 P HA -0.151 nan 4.420 nan 0.000 0.225 2043 P C 0.864 178.242 177.300 0.130 0.000 1.148 2043 P CA 1.024 64.165 63.100 0.068 0.000 0.779 2043 P CB 0.190 31.859 31.700 -0.052 0.000 0.780 2044 L N -1.196 120.059 121.223 0.054 0.000 2.728 2044 L HA 0.184 4.530 4.340 0.010 0.000 0.235 2044 L C 1.141 177.974 176.870 -0.062 0.000 1.197 2044 L CA -0.383 54.430 54.840 -0.045 0.000 0.992 2044 L CB -0.205 41.764 42.059 -0.150 0.000 1.263 2044 L HN -0.144 nan 8.230 nan 0.000 0.484 2045 K N 1.121 121.582 120.400 0.102 0.000 2.412 2045 K HA 0.181 4.507 4.320 0.010 0.000 0.281 2045 K C 1.048 177.775 176.600 0.213 0.000 1.027 2045 K CA 1.070 57.419 56.287 0.102 0.000 0.989 2045 K CB 0.920 33.487 32.500 0.112 0.000 0.935 2045 K HN 0.334 nan 8.250 nan 0.000 0.475 2046 G N 2.183 111.037 108.800 0.090 0.000 2.213 2046 G HA2 -0.271 3.695 3.960 0.010 0.000 0.236 2046 G HA3 -0.271 3.695 3.960 0.010 0.000 0.236 2046 G C 0.149 174.990 174.900 -0.099 0.000 0.991 2046 G CA 0.200 45.404 45.100 0.173 0.000 0.629 2046 G HN 0.884 nan 8.290 nan 0.000 0.517 2047 A N 0.396 122.856 122.820 -0.601 0.000 2.401 2047 A HA 0.744 5.070 4.320 0.010 0.000 0.259 2047 A C 0.656 177.821 177.584 -0.698 0.000 1.103 2047 A CA 0.050 51.349 52.037 -1.229 0.000 0.789 2047 A CB 0.321 18.462 19.000 -1.431 0.000 1.035 2047 A HN 0.425 nan 8.150 nan 0.000 0.491 2048 R N 2.712 122.751 120.500 -0.769 0.000 2.443 2048 R HA 0.312 4.658 4.340 0.010 0.000 0.287 2048 R C -1.207 174.680 176.300 -0.688 0.000 1.425 2048 R CA -0.134 55.402 56.100 -0.940 0.000 1.300 2048 R CB 0.730 30.103 30.300 -1.546 0.000 1.129 2048 R HN 0.729 nan 8.270 nan 0.000 0.577 2049 I N 1.675 122.121 120.570 -0.207 0.000 2.441 2049 I HA 0.295 4.471 4.170 0.010 0.000 0.287 2049 I C 0.508 176.775 176.117 0.250 0.000 1.049 2049 I CA -0.323 60.977 61.300 -0.001 0.000 1.381 2049 I CB 1.463 39.457 38.000 -0.010 0.000 1.409 2049 I HN 0.384 nan 8.210 nan 0.000 0.523 2050 A N 5.015 127.892 122.820 0.095 0.000 2.287 2050 A HA 0.791 5.117 4.320 0.010 0.000 0.317 2050 A C 0.023 177.405 177.584 -0.338 0.000 1.220 2050 A CA -0.431 51.573 52.037 -0.056 0.000 0.835 2050 A CB 0.953 19.917 19.000 -0.060 0.000 1.180 2050 A HN 0.860 nan 8.150 nan 0.000 0.500 2051 G N -0.257 108.096 108.800 -0.745 0.000 2.495 2051 G HA2 0.491 4.457 3.960 0.010 0.000 0.318 2051 G HA3 0.491 4.457 3.960 0.010 0.000 0.318 2051 G C -1.065 173.030 174.900 -1.341 0.000 1.257 2051 G CA -0.364 43.925 45.100 -1.352 0.000 0.962 2051 G HN 0.909 nan 8.290 nan 0.000 0.483 2052 C N 3.433 122.225 119.300 -0.847 0.000 2.409 2052 C HA 0.788 5.254 4.460 0.010 0.000 0.297 2052 C C -0.425 174.322 174.990 -0.404 0.000 1.083 2052 C CA -0.523 58.153 59.018 -0.571 0.000 1.515 2052 C CB -1.826 25.709 27.740 -0.341 0.000 1.869 2052 C HN 0.651 nan 8.230 nan 0.000 0.413 2053 L N 4.978 126.008 121.223 -0.321 0.000 2.472 2053 L HA 0.518 4.864 4.340 0.010 0.000 0.260 2053 L C -0.382 176.574 176.870 0.143 0.000 0.963 2053 L CA -0.420 54.403 54.840 -0.028 0.000 0.829 2053 L CB 1.583 43.794 42.059 0.253 0.000 1.348 2053 L HN 0.552 nan 8.230 nan 0.000 0.408 2054 H N 4.931 124.139 119.070 0.230 0.000 3.237 2054 H HA -0.020 4.542 4.556 0.010 0.000 0.270 2054 H C 0.109 175.581 175.328 0.239 0.000 0.900 2054 H CA 0.281 56.450 56.048 0.201 0.000 1.415 2054 H CB 0.388 30.242 29.762 0.153 0.000 1.484 2054 H HN 0.390 nan 8.280 nan 0.000 0.540 2055 M N 4.594 124.383 119.600 0.315 0.000 2.922 2055 M HA -0.018 4.468 4.480 0.010 0.000 0.294 2055 M C 0.392 176.789 176.300 0.163 0.000 1.556 2055 M CA 0.439 55.879 55.300 0.233 0.000 1.568 2055 M CB -0.879 31.852 32.600 0.220 0.000 1.462 2055 M HN 0.660 nan 8.290 nan 0.000 0.489 2056 T N -1.092 113.549 114.554 0.145 0.000 2.905 2056 T HA 0.465 4.821 4.350 0.010 0.000 0.283 2056 T C 1.176 175.890 174.700 0.024 0.000 1.031 2056 T CA -0.979 61.187 62.100 0.110 0.000 1.002 2056 T CB 1.593 70.553 68.868 0.154 0.000 1.200 2056 T HN 0.201 nan 8.240 nan 0.000 0.560 2057 V N 1.028 120.934 119.914 -0.013 0.000 2.343 2057 V HA -0.119 4.007 4.120 0.010 0.000 0.247 2057 V C 2.672 178.765 176.094 -0.002 0.000 1.051 2057 V CA 2.131 64.377 62.300 -0.089 0.000 1.036 2057 V CB -1.021 30.735 31.823 -0.111 0.000 0.654 2057 V HN 0.890 nan 8.190 nan 0.000 0.451 2058 E N -0.222 120.030 120.200 0.087 0.000 2.153 2058 E HA -0.164 4.192 4.350 0.010 0.000 0.194 2058 E C 2.220 179.044 176.600 0.374 0.000 0.988 2058 E CA 1.722 58.238 56.400 0.193 0.000 0.811 2058 E CB -0.571 29.220 29.700 0.151 0.000 0.746 2058 E HN 0.555 nan 8.360 nan 0.000 0.466 2059 T N -0.052 114.651 114.554 0.248 0.000 2.985 2059 T HA 0.036 4.392 4.350 0.010 0.000 0.266 2059 T C 1.829 176.352 174.700 -0.295 0.000 1.076 2059 T CA 0.871 62.950 62.100 -0.035 0.000 1.135 2059 T CB -0.116 68.737 68.868 -0.026 0.000 0.890 2059 T HN 0.268 nan 8.240 nan 0.000 0.480 2060 A N 1.112 123.814 122.820 -0.198 0.000 1.930 2060 A HA -0.008 4.318 4.320 0.010 0.000 0.217 2060 A C 2.454 179.915 177.584 -0.206 0.000 1.175 2060 A CA 1.064 52.950 52.037 -0.251 0.000 0.627 2060 A CB -0.842 18.043 19.000 -0.191 0.000 0.815 2060 A HN 0.362 nan 8.150 nan 0.000 0.443 2061 V N -0.145 119.706 119.914 -0.105 0.000 2.626 2061 V HA -0.190 3.936 4.120 0.010 0.000 0.252 2061 V C 2.408 178.455 176.094 -0.079 0.000 1.067 2061 V CA 1.741 64.007 62.300 -0.057 0.000 1.081 2061 V CB -0.731 31.104 31.823 0.020 0.000 0.686 2061 V HN 0.611 nan 8.190 nan 0.000 0.468 2062 L N 0.193 121.328 121.223 -0.146 0.000 2.034 2062 L HA 0.001 4.347 4.340 0.010 0.000 0.203 2062 L C 2.185 178.853 176.870 -0.336 0.000 1.074 2062 L CA 1.771 56.457 54.840 -0.257 0.000 0.748 2062 L CB -0.502 41.188 42.059 -0.614 0.000 0.905 2062 L HN 0.171 nan 8.230 nan 0.000 0.439 2063 I N -0.001 120.256 120.570 -0.521 0.000 2.194 2063 I HA -0.296 3.880 4.170 0.010 0.000 0.246 2063 I C 2.418 178.367 176.117 -0.280 0.000 1.093 2063 I CA 1.580 62.562 61.300 -0.530 0.000 1.355 2063 I CB -0.435 37.142 38.000 -0.705 0.000 1.046 2063 I HN 0.413 nan 8.210 nan 0.000 0.413 2064 E N -0.050 120.017 120.200 -0.222 0.000 2.152 2064 E HA -0.154 4.202 4.350 0.010 0.000 0.192 2064 E C 2.164 178.704 176.600 -0.100 0.000 0.983 2064 E CA 1.517 57.833 56.400 -0.140 0.000 0.818 2064 E CB -0.166 29.464 29.700 -0.117 0.000 0.758 2064 E HN 0.459 nan 8.360 nan 0.000 0.467 2065 T N 1.650 116.146 114.554 -0.097 0.000 2.867 2065 T HA -0.052 4.304 4.350 0.010 0.000 0.268 2065 T C 1.953 176.621 174.700 -0.053 0.000 1.057 2065 T CA 0.575 62.643 62.100 -0.054 0.000 1.136 2065 T CB -0.030 68.818 68.868 -0.033 0.000 0.874 2065 T HN 0.080 nan 8.240 nan 0.000 0.466 2066 L N 0.397 121.566 121.223 -0.090 0.000 2.072 2066 L HA -0.029 4.317 4.340 0.010 0.000 0.205 2066 L C 2.566 179.396 176.870 -0.067 0.000 1.079 2066 L CA 0.841 55.633 54.840 -0.079 0.000 0.752 2066 L CB -0.458 41.545 42.059 -0.094 0.000 0.906 2066 L HN 0.142 nan 8.230 nan 0.000 0.436 2067 V N 0.027 119.898 119.914 -0.071 0.000 2.515 2067 V HA -0.219 3.907 4.120 0.010 0.000 0.250 2067 V C 2.665 178.738 176.094 -0.035 0.000 1.058 2067 V CA 1.579 63.848 62.300 -0.052 0.000 1.064 2067 V CB -0.547 31.241 31.823 -0.057 0.000 0.675 2067 V HN 0.457 nan 8.190 nan 0.000 0.461 2068 A N -0.418 122.382 122.820 -0.032 0.000 2.015 2068 A HA -0.081 4.245 4.320 0.010 0.000 0.219 2068 A C 1.767 179.355 177.584 0.007 0.000 1.163 2068 A CA 1.310 53.339 52.037 -0.013 0.000 0.646 2068 A CB -0.342 18.652 19.000 -0.011 0.000 0.806 2068 A HN 0.448 nan 8.150 nan 0.000 0.448 2069 L N -0.923 120.303 121.223 0.004 0.000 2.627 2069 L HA 0.295 4.641 4.340 0.010 0.000 0.232 2069 L C 1.669 178.542 176.870 0.005 0.000 1.150 2069 L CA 0.948 55.803 54.840 0.024 0.000 0.917 2069 L CB -0.511 41.559 42.059 0.018 0.000 1.104 2069 L HN 0.583 nan 8.230 nan 0.000 0.445 2070 G N -1.600 107.195 108.800 -0.008 0.000 2.194 2070 G HA2 -0.226 3.740 3.960 0.010 0.000 0.236 2070 G HA3 -0.226 3.740 3.960 0.010 0.000 0.236 2070 G C 0.646 175.515 174.900 -0.052 0.000 0.987 2070 G CA 0.074 45.166 45.100 -0.014 0.000 0.635 2070 G HN 0.650 nan 8.290 nan 0.000 0.520 2071 A N -0.112 122.656 122.820 -0.086 0.000 2.386 2071 A HA 0.637 4.963 4.320 0.010 0.000 0.246 2071 A C 0.341 177.878 177.584 -0.077 0.000 1.089 2071 A CA 0.468 52.422 52.037 -0.137 0.000 0.790 2071 A CB 0.399 19.309 19.000 -0.150 0.000 1.042 2071 A HN 0.431 nan 8.150 nan 0.000 0.497 2072 E N -0.288 119.865 120.200 -0.079 0.000 2.187 2072 E HA 0.561 4.917 4.350 0.010 0.000 0.268 2072 E C -1.526 175.166 176.600 0.153 0.000 0.896 2072 E CA -0.478 55.945 56.400 0.040 0.000 0.766 2072 E CB 1.878 31.604 29.700 0.045 0.000 1.142 2072 E HN 0.401 nan 8.360 nan 0.000 0.408 2073 V N 3.324 123.356 119.914 0.198 0.000 2.876 2073 V HA 0.536 4.662 4.120 0.010 0.000 0.312 2073 V C -0.531 175.691 176.094 0.213 0.000 1.085 2073 V CA -0.832 61.627 62.300 0.264 0.000 0.945 2073 V CB 2.241 34.176 31.823 0.187 0.000 1.017 2073 V HN 0.595 nan 8.190 nan 0.000 0.428 2074 R N 2.359 122.975 120.500 0.194 0.000 2.502 2074 R HA 0.396 4.742 4.340 0.010 0.000 0.298 2074 R C -1.664 174.741 176.300 0.175 0.000 1.018 2074 R CA -0.376 55.748 56.100 0.041 0.000 0.899 2074 R CB 1.522 31.584 30.300 -0.398 0.000 1.181 2074 R HN 0.791 nan 8.270 nan 0.000 0.444 2075 W N 2.177 123.465 121.300 -0.021 0.000 2.647 2075 W HA 0.535 5.201 4.660 0.010 0.000 0.353 2075 W C -0.596 175.938 176.519 0.025 0.000 1.080 2075 W CA -0.325 57.006 57.345 -0.024 0.000 1.208 2075 W CB 2.271 31.702 29.460 -0.047 0.000 1.396 2075 W HN 0.612 nan 8.180 nan 0.000 0.573 2076 S N 1.218 116.810 115.700 -0.180 0.000 2.550 2076 S HA 0.364 4.840 4.470 0.010 0.000 0.270 2076 S C -1.103 173.401 174.600 -0.159 0.000 1.145 2076 S CA -0.711 57.419 58.200 -0.118 0.000 0.852 2076 S CB 1.719 64.761 63.200 -0.265 0.000 1.119 2076 S HN 0.328 nan 8.310 nan 0.000 0.465 2077 S N 0.140 115.814 115.700 -0.043 0.000 2.586 2077 S HA 0.383 4.859 4.470 0.010 0.000 0.274 2077 S C 0.958 175.553 174.600 -0.009 0.000 1.281 2077 S CA -0.326 57.888 58.200 0.023 0.000 1.035 2077 S CB 0.047 63.306 63.200 0.098 0.000 0.962 2077 S HN 1.394 nan 8.310 nan 0.000 0.512 2078 C N 3.852 123.130 119.300 -0.037 0.000 2.492 2078 C HA 0.561 5.027 4.460 0.010 0.000 0.317 2078 C C 0.262 175.357 174.990 0.176 0.000 1.347 2078 C CA -1.013 58.066 59.018 0.102 0.000 1.759 2078 C CB -2.216 25.463 27.740 -0.101 0.000 2.127 2078 C HN 0.722 nan 8.230 nan 0.000 0.579 2079 N N 0.703 119.539 118.700 0.227 0.000 2.446 2079 N HA 0.295 5.041 4.740 0.010 0.000 0.272 2079 N C 0.419 175.933 175.510 0.007 0.000 1.127 2079 N CA -0.350 52.748 53.050 0.078 0.000 0.896 2079 N CB 1.692 40.326 38.487 0.245 0.000 1.658 2079 N HN 0.400 nan 8.380 nan 0.000 0.483 2080 I N -0.975 119.423 120.570 -0.287 0.000 3.059 2080 I HA 0.120 4.296 4.170 0.010 0.000 0.270 2080 I C 0.001 175.904 176.117 -0.357 0.000 1.238 2080 I CA 0.895 61.948 61.300 -0.411 0.000 1.478 2080 I CB -0.139 37.439 38.000 -0.703 0.000 1.097 2080 I HN 0.206 nan 8.210 nan 0.000 0.455 2081 F N 1.269 121.246 119.950 0.045 0.000 2.746 2081 F HA 0.208 4.741 4.527 0.010 0.000 0.313 2081 F C 2.641 178.482 175.800 0.070 0.000 1.095 2081 F CA 0.190 58.222 58.000 0.054 0.000 1.224 2081 F CB -0.448 38.575 39.000 0.038 0.000 1.060 2081 F HN 0.114 nan 8.300 nan 0.000 0.584 2082 S N -1.032 114.810 115.700 0.237 0.000 2.453 2082 S HA -0.048 4.428 4.470 0.010 0.000 0.231 2082 S C 1.046 175.764 174.600 0.196 0.000 1.005 2082 S CA 0.418 58.736 58.200 0.196 0.000 0.949 2082 S CB -1.121 62.254 63.200 0.292 0.000 0.774 2082 S HN 0.152 nan 8.310 nan 0.000 0.510 2083 T N 2.831 117.503 114.554 0.197 0.000 2.937 2083 T HA 0.108 4.464 4.350 0.010 0.000 0.316 2083 T C -0.207 174.596 174.700 0.172 0.000 1.079 2083 T CA 0.340 62.551 62.100 0.186 0.000 1.131 2083 T CB 0.424 69.396 68.868 0.174 0.000 1.000 2083 T HN 0.442 nan 8.240 nan 0.000 0.549 2084 Q N 1.644 121.543 119.800 0.166 0.000 2.456 2084 Q HA 0.156 4.502 4.340 0.010 0.000 0.252 2084 Q C 0.273 176.394 176.000 0.202 0.000 1.042 2084 Q CA -0.582 55.324 55.803 0.173 0.000 0.766 2084 Q CB 1.076 29.943 28.738 0.215 0.000 1.196 2084 Q HN 0.570 nan 8.270 nan 0.000 0.504 2085 D N 1.182 121.678 120.400 0.160 0.000 2.220 2085 D HA -0.232 4.414 4.640 0.010 0.000 0.198 2085 D C 1.594 177.974 176.300 0.134 0.000 1.001 2085 D CA 1.635 55.728 54.000 0.155 0.000 0.875 2085 D CB 0.299 41.186 40.800 0.146 0.000 0.921 2085 D HN 0.663 nan 8.370 nan 0.000 0.454 2086 H N -0.300 118.641 119.070 -0.214 0.000 2.436 2086 H HA 0.266 4.828 4.556 0.010 0.000 0.294 2086 H C 1.863 177.043 175.328 -0.246 0.000 1.048 2086 H CA 1.071 56.923 56.048 -0.327 0.000 1.353 2086 H CB -0.790 28.441 29.762 -0.886 0.000 1.414 2086 H HN 0.061 nan 8.280 nan 0.000 0.536 2087 A N 1.342 123.971 122.820 -0.318 0.000 1.968 2087 A HA 0.235 4.561 4.320 0.010 0.000 0.217 2087 A C 2.630 180.130 177.584 -0.140 0.000 1.169 2087 A CA 1.402 53.239 52.037 -0.333 0.000 0.638 2087 A CB -0.823 18.002 19.000 -0.290 0.000 0.812 2087 A HN 0.583 nan 8.150 nan 0.000 0.446 2088 A N -0.262 122.539 122.820 -0.030 0.000 1.930 2088 A HA 0.333 4.659 4.320 0.010 0.000 0.215 2088 A C 2.296 179.874 177.584 -0.011 0.000 1.176 2088 A CA 1.467 53.513 52.037 0.014 0.000 0.632 2088 A CB -0.697 18.374 19.000 0.119 0.000 0.819 2088 A HN 0.966 nan 8.150 nan 0.000 0.445 2089 A N -0.685 122.134 122.820 -0.001 0.000 2.206 2089 A HA 0.427 4.753 4.320 0.010 0.000 0.211 2089 A C 2.113 179.648 177.584 -0.082 0.000 1.158 2089 A CA 1.335 53.360 52.037 -0.019 0.000 0.761 2089 A CB -0.488 18.534 19.000 0.036 0.000 0.801 2089 A HN 0.804 nan 8.150 nan 0.000 0.473 2090 A N -0.228 122.529 122.820 -0.105 0.000 1.943 2090 A HA 0.196 4.522 4.320 0.010 0.000 0.213 2090 A C 1.721 179.220 177.584 -0.142 0.000 1.181 2090 A CA 0.951 52.915 52.037 -0.122 0.000 0.653 2090 A CB -0.251 18.661 19.000 -0.147 0.000 0.833 2090 A HN 0.331 nan 8.150 nan 0.000 0.451 2091 I N 0.468 120.947 120.570 -0.152 0.000 2.439 2091 I HA -0.104 4.072 4.170 0.010 0.000 0.251 2091 I C 2.770 178.769 176.117 -0.196 0.000 1.139 2091 I CA 0.826 62.026 61.300 -0.167 0.000 1.438 2091 I CB -1.499 36.399 38.000 -0.171 0.000 1.085 2091 I HN 0.313 nan 8.210 nan 0.000 0.427 2092 A N 0.414 123.087 122.820 -0.245 0.000 1.855 2092 A HA -0.200 4.126 4.320 0.010 0.000 0.215 2092 A C 2.427 179.744 177.584 -0.446 0.000 1.191 2092 A CA 1.474 53.239 52.037 -0.453 0.000 0.613 2092 A CB -0.542 18.058 19.000 -0.666 0.000 0.829 2092 A HN 0.266 nan 8.150 nan 0.000 0.442 2093 K N -0.179 120.029 120.400 -0.320 0.000 2.103 2093 K HA -0.112 4.214 4.320 0.010 0.000 0.207 2093 K C 2.037 178.538 176.600 -0.165 0.000 1.048 2093 K CA 1.191 57.344 56.287 -0.223 0.000 0.930 2093 K CB -0.348 32.070 32.500 -0.137 0.000 0.716 2093 K HN 0.390 nan 8.250 nan 0.000 0.444 2094 A N 0.105 122.834 122.820 -0.152 0.000 2.186 2094 A HA -0.063 4.263 4.320 0.010 0.000 0.219 2094 A C 1.404 178.922 177.584 -0.110 0.000 1.159 2094 A CA 1.755 53.722 52.037 -0.115 0.000 0.680 2094 A CB -0.552 18.379 19.000 -0.116 0.000 0.787 2094 A HN 0.572 nan 8.150 nan 0.000 0.467 2095 G N -2.112 106.600 108.800 -0.145 0.000 2.159 2095 G HA2 -0.189 3.777 3.960 0.010 0.000 0.227 2095 G HA3 -0.189 3.777 3.960 0.010 0.000 0.227 2095 G C 0.045 174.885 174.900 -0.100 0.000 0.986 2095 G CA 0.085 45.115 45.100 -0.116 0.000 0.651 2095 G HN 0.449 nan 8.290 nan 0.000 0.523 2096 I N 2.149 122.644 120.570 -0.124 0.000 2.365 2096 I HA 0.375 4.551 4.170 0.010 0.000 0.291 2096 I C -2.019 174.029 176.117 -0.115 0.000 1.004 2096 I CA -2.542 58.703 61.300 -0.091 0.000 1.311 2096 I CB 1.589 39.532 38.000 -0.094 0.000 1.401 2096 I HN -0.163 nan 8.210 nan 0.000 0.491 2097 P HA 0.128 nan 4.420 nan 0.000 0.275 2097 P C -1.051 176.099 177.300 -0.250 0.000 1.276 2097 P CA -0.052 62.955 63.100 -0.154 0.000 0.782 2097 P CB 0.400 32.095 31.700 -0.008 0.000 0.851 2098 V N 4.664 124.357 119.914 -0.369 0.000 2.495 2098 V HA 0.450 4.576 4.120 0.010 0.000 0.298 2098 V C -0.350 175.506 176.094 -0.397 0.000 1.031 2098 V CA -0.436 61.739 62.300 -0.210 0.000 0.871 2098 V CB 1.246 33.054 31.823 -0.025 0.000 0.988 2098 V HN 0.275 nan 8.190 nan 0.000 0.432 2099 F N 3.280 123.363 119.950 0.222 0.000 2.453 2099 F HA 0.828 5.361 4.527 0.010 0.000 0.358 2099 F C 0.388 176.359 175.800 0.285 0.000 1.129 2099 F CA -0.324 57.870 58.000 0.324 0.000 1.200 2099 F CB 1.386 40.443 39.000 0.096 0.000 1.431 2099 F HN 0.655 nan 8.300 nan 0.000 0.503 2100 A N 2.405 125.525 122.820 0.501 0.000 2.577 2100 A HA 0.772 5.098 4.320 0.010 0.000 0.297 2100 A C -1.859 176.023 177.584 0.497 0.000 1.060 2100 A CA -0.843 51.348 52.037 0.257 0.000 0.697 2100 A CB 0.800 19.903 19.000 0.171 0.000 1.281 2100 A HN 0.725 nan 8.150 nan 0.000 0.402 2101 W N 0.774 122.184 121.300 0.183 0.000 3.018 2101 W HA 0.776 5.442 4.660 0.010 0.000 0.352 2101 W C -0.644 175.975 176.519 0.166 0.000 1.230 2101 W CA -0.942 56.497 57.345 0.157 0.000 1.162 2101 W CB 1.110 30.653 29.460 0.138 0.000 1.483 2101 W HN 0.712 nan 8.180 nan 0.000 0.584 2102 K N 1.292 121.909 120.400 0.362 0.000 2.258 2102 K HA 0.502 4.828 4.320 0.010 0.000 0.284 2102 K C 0.525 177.332 176.600 0.345 0.000 1.051 2102 K CA 0.328 56.782 56.287 0.279 0.000 0.923 2102 K CB 0.570 33.222 32.500 0.253 0.000 1.046 2102 K HN 1.310 nan 8.250 nan 0.000 0.474 2103 G N 3.322 112.315 108.800 0.322 0.000 2.325 2103 G HA2 -0.205 3.761 3.960 0.010 0.000 0.248 2103 G HA3 -0.205 3.761 3.960 0.010 0.000 0.248 2103 G C -0.843 174.206 174.900 0.248 0.000 1.108 2103 G CA -0.174 45.159 45.100 0.388 0.000 0.881 2103 G HN 0.654 nan 8.290 nan 0.000 0.494 2104 E N 0.661 120.847 120.200 -0.023 0.000 2.277 2104 E HA 0.570 4.926 4.350 0.010 0.000 0.274 2104 E C 0.987 177.596 176.600 0.016 0.000 1.022 2104 E CA -0.187 56.204 56.400 -0.016 0.000 0.853 2104 E CB 0.975 30.400 29.700 -0.458 0.000 1.086 2104 E HN 0.457 nan 8.360 nan 0.000 0.397 2105 T N -0.748 113.871 114.554 0.109 0.000 2.918 2105 T HA 0.032 4.388 4.350 0.010 0.000 0.302 2105 T C 0.309 175.036 174.700 0.046 0.000 1.045 2105 T CA -0.589 61.553 62.100 0.071 0.000 1.114 2105 T CB 0.717 69.641 68.868 0.093 0.000 0.965 2105 T HN 0.338 nan 8.240 nan 0.000 0.540 2106 D N 1.457 121.862 120.400 0.009 0.000 2.239 2106 D HA -0.123 4.524 4.640 0.010 0.000 0.202 2106 D C 1.772 178.135 176.300 0.105 0.000 0.993 2106 D CA 1.565 55.573 54.000 0.013 0.000 0.874 2106 D CB -0.081 40.707 40.800 -0.020 0.000 0.922 2106 D HN 0.767 nan 8.370 nan 0.000 0.464 2107 E N 0.599 120.855 120.200 0.094 0.000 2.072 2107 E HA -0.117 4.239 4.350 0.010 0.000 0.190 2107 E C 1.900 178.592 176.600 0.155 0.000 0.982 2107 E CA 0.902 57.368 56.400 0.110 0.000 0.803 2107 E CB -0.227 29.520 29.700 0.078 0.000 0.755 2107 E HN 0.471 nan 8.360 nan 0.000 0.453 2108 E N -0.045 120.248 120.200 0.155 0.000 2.150 2108 E HA -0.202 4.154 4.350 0.010 0.000 0.193 2108 E C 1.809 178.522 176.600 0.188 0.000 0.985 2108 E CA 0.844 57.367 56.400 0.205 0.000 0.814 2108 E CB -0.378 29.482 29.700 0.268 0.000 0.752 2108 E HN 0.330 nan 8.360 nan 0.000 0.466 2109 Y N 1.765 122.051 120.300 -0.023 0.000 2.241 2109 Y HA -0.239 4.317 4.550 0.010 0.000 0.286 2109 Y C 2.091 177.986 175.900 -0.008 0.000 1.166 2109 Y CA 1.135 59.186 58.100 -0.082 0.000 1.203 2109 Y CB -0.005 38.391 38.460 -0.107 0.000 0.977 2109 Y HN 0.047 nan 8.280 nan 0.000 0.529 2110 L N -0.631 120.646 121.223 0.089 0.000 2.095 2110 L HA -0.141 4.205 4.340 0.010 0.000 0.204 2110 L C 2.165 179.039 176.870 0.006 0.000 1.080 2110 L CA 1.984 56.832 54.840 0.013 0.000 0.759 2110 L CB -1.646 40.481 42.059 0.114 0.000 0.914 2110 L HN 0.632 nan 8.230 nan 0.000 0.439 2111 W N 0.002 121.255 121.300 -0.079 0.000 2.342 2111 W HA -0.261 4.405 4.660 0.010 0.000 0.297 2111 W C 2.624 179.048 176.519 -0.159 0.000 1.213 2111 W CA 1.972 59.270 57.345 -0.078 0.000 1.251 2111 W CB -0.448 29.014 29.460 0.004 0.000 1.136 2111 W HN 0.182 nan 8.180 nan 0.000 0.526 2112 C N 0.549 119.897 119.300 0.080 0.000 2.432 2112 C HA -0.206 4.260 4.460 0.010 0.000 0.277 2112 C C 2.711 177.410 174.990 -0.484 0.000 1.249 2112 C CA 1.474 60.360 59.018 -0.220 0.000 1.725 2112 C CB -1.427 26.300 27.740 -0.021 0.000 2.028 2112 C HN 0.412 nan 8.230 nan 0.000 0.477 2113 I N 0.730 121.038 120.570 -0.436 0.000 2.226 2113 I HA -0.186 3.990 4.170 0.010 0.000 0.245 2113 I C 2.520 178.358 176.117 -0.464 0.000 1.100 2113 I CA 1.421 62.458 61.300 -0.438 0.000 1.374 2113 I CB -0.640 37.121 38.000 -0.398 0.000 1.057 2113 I HN 0.443 nan 8.210 nan 0.000 0.413 2114 E N 0.573 120.498 120.200 -0.458 0.000 2.160 2114 E HA -0.243 4.113 4.350 0.010 0.000 0.195 2114 E C 2.138 178.368 176.600 -0.616 0.000 0.991 2114 E CA 0.955 57.078 56.400 -0.463 0.000 0.810 2114 E CB -0.226 29.274 29.700 -0.333 0.000 0.742 2114 E HN 0.529 nan 8.360 nan 0.000 0.466 2115 Q N 0.015 119.264 119.800 -0.919 0.000 2.084 2115 Q HA -0.104 4.242 4.340 0.010 0.000 0.202 2115 Q C 2.227 177.724 176.000 -0.838 0.000 0.978 2115 Q CA 1.821 56.923 55.803 -1.167 0.000 0.844 2115 Q CB -1.024 26.325 28.738 -2.315 0.000 0.898 2115 Q HN 0.429 nan 8.270 nan 0.000 0.426 2116 T N -2.172 111.978 114.554 -0.674 0.000 3.361 2116 T HA 0.139 4.495 4.350 0.010 0.000 0.251 2116 T C 1.446 175.828 174.700 -0.529 0.000 1.131 2116 T CA 0.056 61.850 62.100 -0.509 0.000 1.001 2116 T CB -0.308 68.350 68.868 -0.350 0.000 1.003 2116 T HN 0.127 nan 8.240 nan 0.000 0.558 2117 L N -0.286 120.606 121.223 -0.552 0.000 2.416 2117 L HA 0.291 4.637 4.340 0.010 0.000 0.216 2117 L C 0.608 177.082 176.870 -0.661 0.000 1.098 2117 L CA 0.276 54.759 54.840 -0.595 0.000 0.840 2117 L CB -0.030 41.562 42.059 -0.778 0.000 0.981 2117 L HN 0.405 nan 8.230 nan 0.000 0.462 2118 H N -0.717 118.235 119.070 -0.196 0.000 2.658 2118 H HA 0.369 4.931 4.556 0.010 0.000 0.337 2118 H C -0.835 174.457 175.328 -0.061 0.000 1.009 2118 H CA -0.703 55.335 56.048 -0.017 0.000 1.231 2118 H CB 1.415 31.142 29.762 -0.058 0.000 1.508 2118 H HN -0.203 nan 8.280 nan 0.000 0.517 2119 F N 1.255 121.233 119.950 0.047 0.000 2.403 2119 F HA 0.216 4.749 4.527 0.010 0.000 0.326 2119 F C 1.718 177.543 175.800 0.041 0.000 1.099 2119 F CA -1.079 56.939 58.000 0.031 0.000 1.036 2119 F CB 0.480 39.481 39.000 0.002 0.000 1.336 2119 F HN 0.256 nan 8.300 nan 0.000 0.497 2120 K N 0.395 120.943 120.400 0.246 0.000 2.009 2120 K HA -0.135 4.191 4.320 0.010 0.000 0.210 2120 K C 0.995 177.665 176.600 0.118 0.000 1.049 2120 K CA 1.840 58.212 56.287 0.141 0.000 0.929 2120 K CB -0.931 31.637 32.500 0.114 0.000 0.714 2120 K HN 0.561 nan 8.250 nan 0.000 0.440 2121 D N -0.221 120.248 120.400 0.115 0.000 2.378 2121 D HA 0.143 4.789 4.640 0.010 0.000 0.227 2121 D C 0.917 177.256 176.300 0.065 0.000 1.012 2121 D CA 0.791 54.831 54.000 0.066 0.000 0.905 2121 D CB -0.176 40.643 40.800 0.032 0.000 0.895 2121 D HN 0.296 nan 8.370 nan 0.000 0.532 2122 G N 0.265 109.136 108.800 0.118 0.000 2.316 2122 G HA2 -0.021 3.945 3.960 0.010 0.000 0.349 2122 G HA3 -0.021 3.945 3.960 0.010 0.000 0.349 2122 G C -3.008 172.021 174.900 0.216 0.000 1.274 2122 G CA -0.690 44.487 45.100 0.127 0.000 1.018 2122 G HN 0.047 nan 8.290 nan 0.000 0.486 2123 P HA 0.418 nan 4.420 nan 0.000 0.275 2123 P C 0.866 178.194 177.300 0.047 0.000 1.270 2123 P CA -0.379 62.864 63.100 0.238 0.000 0.791 2123 P CB 0.250 32.061 31.700 0.186 0.000 1.089 2124 L N -0.903 120.362 121.223 0.071 0.000 2.479 2124 L HA 0.255 4.601 4.340 0.010 0.000 0.270 2124 L C 0.720 177.490 176.870 -0.168 0.000 1.236 2124 L CA -0.102 54.653 54.840 -0.142 0.000 0.823 2124 L CB -0.371 41.748 42.059 0.100 0.000 1.098 2124 L HN 0.386 nan 8.230 nan 0.000 0.500 2125 N N 0.106 118.670 118.700 -0.227 0.000 2.082 2125 N HA 0.292 5.038 4.740 0.010 0.000 0.228 2125 N C -0.619 174.867 175.510 -0.040 0.000 1.341 2125 N CA -0.234 52.775 53.050 -0.070 0.000 0.873 2125 N CB 0.718 39.215 38.487 0.018 0.000 1.137 2125 N HN 0.541 nan 8.380 nan 0.000 0.505 2126 M N 0.986 120.507 119.600 -0.132 0.000 2.365 2126 M HA 0.429 4.915 4.480 0.010 0.000 0.287 2126 M C -1.692 174.552 176.300 -0.093 0.000 1.154 2126 M CA -0.292 54.945 55.300 -0.106 0.000 0.941 2126 M CB 2.607 35.077 32.600 -0.217 0.000 1.704 2126 M HN -0.032 nan 8.290 nan 0.000 0.479 2127 I N 3.348 123.872 120.570 -0.077 0.000 2.418 2127 I HA 0.455 4.631 4.170 0.010 0.000 0.287 2127 I C -0.991 175.054 176.117 -0.119 0.000 1.008 2127 I CA -0.696 60.542 61.300 -0.102 0.000 1.104 2127 I CB 2.234 40.184 38.000 -0.084 0.000 1.264 2127 I HN 0.536 nan 8.210 nan 0.000 0.438 2128 L N 6.651 127.772 121.223 -0.171 0.000 2.301 2128 L HA 0.492 4.838 4.340 0.010 0.000 0.278 2128 L C -1.178 175.551 176.870 -0.235 0.000 1.022 2128 L CA -0.196 54.548 54.840 -0.158 0.000 0.854 2128 L CB 0.767 42.769 42.059 -0.096 0.000 1.226 2128 L HN 0.497 nan 8.230 nan 0.000 0.429 2129 D N 2.322 122.622 120.400 -0.167 0.000 2.350 2129 D HA 0.412 5.058 4.640 0.010 0.000 0.238 2129 D C -1.508 174.714 176.300 -0.129 0.000 0.989 2129 D CA -0.114 53.781 54.000 -0.175 0.000 0.921 2129 D CB 2.261 42.969 40.800 -0.153 0.000 1.297 2129 D HN 0.369 nan 8.370 nan 0.000 0.490 2130 D N 0.340 120.655 120.400 -0.142 0.000 2.479 2130 D HA 0.485 5.131 4.640 0.010 0.000 0.246 2130 D C 0.638 176.801 176.300 -0.228 0.000 1.336 2130 D CA 0.063 53.983 54.000 -0.132 0.000 0.967 2130 D CB 0.577 41.340 40.800 -0.062 0.000 1.275 2130 D HN 0.521 nan 8.370 nan 0.000 0.577 2131 G N 2.293 110.832 108.800 -0.434 0.000 2.376 2131 G HA2 -0.018 3.948 3.960 0.010 0.000 0.208 2131 G HA3 -0.018 3.948 3.960 0.010 0.000 0.208 2131 G C 1.063 175.874 174.900 -0.148 0.000 1.032 2131 G CA 0.571 45.227 45.100 -0.740 0.000 0.641 2131 G HN 1.644 nan 8.290 nan 0.000 0.503 2132 G N -0.058 108.707 108.800 -0.058 0.000 2.195 2132 G HA2 -0.211 3.755 3.960 0.010 0.000 0.224 2132 G HA3 -0.211 3.755 3.960 0.010 0.000 0.224 2132 G C 0.689 175.612 174.900 0.038 0.000 0.990 2132 G CA 0.962 46.059 45.100 -0.005 0.000 0.639 2132 G HN 0.707 nan 8.290 nan 0.000 0.514 2133 D N 0.237 120.705 120.400 0.114 0.000 2.123 2133 D HA -0.024 4.622 4.640 0.010 0.000 0.196 2133 D C 2.479 178.787 176.300 0.013 0.000 0.992 2133 D CA 1.075 55.140 54.000 0.108 0.000 0.833 2133 D CB -0.114 40.821 40.800 0.226 0.000 0.954 2133 D HN 0.433 nan 8.370 nan 0.000 0.455 2134 L N 0.520 121.714 121.223 -0.050 0.000 2.027 2134 L HA -0.135 4.211 4.340 0.010 0.000 0.206 2134 L C 2.354 179.190 176.870 -0.056 0.000 1.074 2134 L CA 1.718 56.501 54.840 -0.096 0.000 0.745 2134 L CB -0.486 41.471 42.059 -0.170 0.000 0.898 2134 L HN 0.168 nan 8.230 nan 0.000 0.433 2135 T N -2.938 111.575 114.554 -0.068 0.000 3.072 2135 T HA -0.162 4.194 4.350 0.010 0.000 0.266 2135 T C 1.535 176.192 174.700 -0.071 0.000 1.127 2135 T CA 1.266 63.327 62.100 -0.066 0.000 1.107 2135 T CB -0.311 68.461 68.868 -0.160 0.000 0.910 2135 T HN 0.393 nan 8.240 nan 0.000 0.513 2136 N N 0.056 118.732 118.700 -0.041 0.000 2.439 2136 N HA 0.020 4.767 4.740 0.010 0.000 0.176 2136 N C 1.895 177.440 175.510 0.058 0.000 1.029 2136 N CA 0.691 53.736 53.050 -0.009 0.000 0.886 2136 N CB -0.045 38.429 38.487 -0.022 0.000 1.057 2136 N HN 0.393 nan 8.380 nan 0.000 0.437 2137 L N 1.583 122.838 121.223 0.053 0.000 2.079 2137 L HA -0.016 4.330 4.340 0.010 0.000 0.210 2137 L C 1.788 178.765 176.870 0.179 0.000 1.081 2137 L CA 1.510 56.403 54.840 0.089 0.000 0.752 2137 L CB -0.536 41.560 42.059 0.061 0.000 0.896 2137 L HN 0.126 nan 8.230 nan 0.000 0.433 2138 I N -1.338 119.332 120.570 0.168 0.000 2.400 2138 I HA -0.188 3.988 4.170 0.010 0.000 0.248 2138 I C 2.253 178.462 176.117 0.153 0.000 1.109 2138 I CA 0.815 62.232 61.300 0.195 0.000 1.425 2138 I CB -0.398 37.665 38.000 0.105 0.000 1.094 2138 I HN 0.261 nan 8.210 nan 0.000 0.425 2139 H N 0.009 119.090 119.070 0.019 0.000 2.457 2139 H HA -0.141 4.421 4.556 0.010 0.000 0.297 2139 H C 2.318 177.643 175.328 -0.005 0.000 1.092 2139 H CA 2.053 58.103 56.048 0.003 0.000 1.309 2139 H CB -0.079 29.678 29.762 -0.009 0.000 1.382 2139 H HN 0.420 nan 8.280 nan 0.000 0.535 2140 T N -3.480 111.136 114.554 0.104 0.000 2.978 2140 T HA 0.119 4.475 4.350 0.010 0.000 0.248 2140 T C 1.601 176.275 174.700 -0.044 0.000 1.018 2140 T CA 0.096 62.212 62.100 0.027 0.000 1.026 2140 T CB 0.457 69.339 68.868 0.023 0.000 1.032 2140 T HN 0.001 nan 8.240 nan 0.000 0.485 2141 K N 0.713 121.062 120.400 -0.084 0.000 2.287 2141 K HA 0.245 4.571 4.320 0.010 0.000 0.199 2141 K C 0.501 176.791 176.600 -0.517 0.000 1.061 2141 K CA 0.588 56.681 56.287 -0.323 0.000 0.976 2141 K CB 0.299 32.537 32.500 -0.437 0.000 0.898 2141 K HN 0.540 nan 8.250 nan 0.000 0.492 2142 H N -0.141 118.922 119.070 -0.011 0.000 2.348 2142 H HA 0.231 4.793 4.556 0.010 0.000 0.232 2142 H C -2.319 172.991 175.328 -0.030 0.000 1.419 2142 H CA -1.839 54.200 56.048 -0.014 0.000 1.416 2142 H CB 1.137 30.890 29.762 -0.015 0.000 1.510 2142 H HN -0.011 nan 8.280 nan 0.000 0.507 2143 P HA -0.094 nan 4.420 nan 0.000 0.229 2143 P C 1.108 178.395 177.300 -0.021 0.000 1.160 2143 P CA 0.790 63.873 63.100 -0.029 0.000 0.777 2143 P CB 0.414 32.087 31.700 -0.045 0.000 0.814 2144 Q N -0.671 119.141 119.800 0.019 0.000 2.436 2144 Q HA 0.009 4.355 4.340 0.010 0.000 0.209 2144 Q C 1.665 177.679 176.000 0.023 0.000 0.965 2144 Q CA 0.941 56.757 55.803 0.020 0.000 0.910 2144 Q CB -0.966 27.796 28.738 0.040 0.000 0.980 2144 Q HN 0.301 nan 8.270 nan 0.000 0.491 2145 L N -0.863 120.375 121.223 0.025 0.000 2.513 2145 L HA 0.065 4.411 4.340 0.010 0.000 0.222 2145 L C 1.074 177.934 176.870 -0.017 0.000 1.096 2145 L CA -0.224 54.623 54.840 0.012 0.000 0.857 2145 L CB -0.129 41.932 42.059 0.003 0.000 1.026 2145 L HN 0.202 nan 8.230 nan 0.000 0.469 2146 L N 0.589 121.781 121.223 -0.052 0.000 2.189 2146 L HA -0.217 4.129 4.340 0.010 0.000 0.214 2146 L C 2.884 179.726 176.870 -0.046 0.000 1.097 2146 L CA 2.168 56.953 54.840 -0.091 0.000 0.764 2146 L CB -1.344 40.598 42.059 -0.195 0.000 0.900 2146 L HN 0.418 nan 8.230 nan 0.000 0.436 2147 S N -1.252 114.431 115.700 -0.029 0.000 2.383 2147 S HA -0.061 4.415 4.470 0.010 0.000 0.227 2147 S C 1.879 176.482 174.600 0.004 0.000 1.026 2147 S CA 0.851 59.044 58.200 -0.012 0.000 0.981 2147 S CB -0.802 62.393 63.200 -0.008 0.000 0.818 2147 S HN 0.382 nan 8.310 nan 0.000 0.472 2148 G N 0.606 109.412 108.800 0.009 0.000 2.985 2148 G HA2 0.386 4.352 3.960 0.010 0.000 0.209 2148 G HA3 0.386 4.352 3.960 0.010 0.000 0.209 2148 G C 0.292 175.211 174.900 0.033 0.000 1.165 2148 G CA -0.362 44.751 45.100 0.022 0.000 0.776 2148 G HN 0.525 nan 8.290 nan 0.000 0.541 2149 I N 0.233 120.819 120.570 0.026 0.000 2.321 2149 I HA 0.295 4.471 4.170 0.010 0.000 0.291 2149 I C 1.304 177.461 176.117 0.067 0.000 0.998 2149 I CA -0.630 60.693 61.300 0.038 0.000 1.227 2149 I CB 2.051 40.061 38.000 0.017 0.000 1.368 2149 I HN -0.005 nan 8.210 nan 0.000 0.466 2150 R N 4.276 124.848 120.500 0.120 0.000 2.246 2150 R HA 0.232 4.579 4.340 0.010 0.000 0.199 2150 R C 0.505 176.867 176.300 0.102 0.000 0.984 2150 R CA 0.393 56.572 56.100 0.130 0.000 1.015 2150 R CB 0.453 30.892 30.300 0.233 0.000 0.930 2150 R HN 0.889 nan 8.270 nan 0.000 0.475 2151 G N -0.228 108.617 108.800 0.076 0.000 2.523 2151 G HA2 0.421 4.387 3.960 0.010 0.000 0.291 2151 G HA3 0.421 4.387 3.960 0.010 0.000 0.291 2151 G C -1.695 173.202 174.900 -0.005 0.000 1.450 2151 G CA -0.775 44.344 45.100 0.032 0.000 0.790 2151 G HN 0.037 nan 8.290 nan 0.000 0.496 2152 I N 0.205 120.755 120.570 -0.034 0.000 2.647 2152 I HA 0.555 4.731 4.170 0.010 0.000 0.295 2152 I C -0.357 175.708 176.117 -0.086 0.000 1.078 2152 I CA -0.829 60.434 61.300 -0.062 0.000 1.048 2152 I CB 2.537 40.497 38.000 -0.067 0.000 1.239 2152 I HN 0.374 nan 8.210 nan 0.000 0.421 2153 S N 3.465 119.111 115.700 -0.090 0.000 2.596 2153 S HA 0.380 4.856 4.470 0.010 0.000 0.318 2153 S C -0.857 173.694 174.600 -0.083 0.000 1.097 2153 S CA -0.386 57.765 58.200 -0.081 0.000 1.080 2153 S CB 1.163 64.325 63.200 -0.063 0.000 0.991 2153 S HN 0.496 nan 8.310 nan 0.000 0.471 2154 E N 2.194 122.344 120.200 -0.083 0.000 2.151 2154 E HA 0.362 4.718 4.350 0.010 0.000 0.275 2154 E C 0.541 177.117 176.600 -0.039 0.000 0.936 2154 E CA -0.482 55.866 56.400 -0.087 0.000 0.777 2154 E CB 1.431 31.053 29.700 -0.130 0.000 1.108 2154 E HN 0.573 nan 8.360 nan 0.000 0.401 2155 E N 2.649 122.835 120.200 -0.024 0.000 2.042 2155 E HA 0.019 4.375 4.350 0.010 0.000 0.189 2155 E C 0.181 176.802 176.600 0.036 0.000 0.974 2155 E CA 0.894 57.319 56.400 0.042 0.000 0.806 2155 E CB 0.135 29.887 29.700 0.087 0.000 0.769 2155 E HN 0.407 nan 8.360 nan 0.000 0.451 2156 T N -1.277 113.260 114.554 -0.028 0.000 2.940 2156 T HA 0.263 4.619 4.350 0.010 0.000 0.288 2156 T C 0.811 175.489 174.700 -0.038 0.000 1.033 2156 T CA 0.054 62.139 62.100 -0.026 0.000 1.033 2156 T CB 1.334 70.168 68.868 -0.058 0.000 1.079 2156 T HN 0.185 nan 8.240 nan 0.000 0.496 2157 T N 2.073 116.634 114.554 0.012 0.000 2.624 2157 T HA -0.162 4.194 4.350 0.010 0.000 0.268 2157 T C 1.995 176.721 174.700 0.044 0.000 1.041 2157 T CA 2.304 64.432 62.100 0.047 0.000 1.159 2157 T CB -0.804 68.099 68.868 0.058 0.000 0.863 2157 T HN 0.708 nan 8.240 nan 0.000 0.434 2158 T N 0.941 115.486 114.554 -0.015 0.000 2.759 2158 T HA -0.044 4.312 4.350 0.010 0.000 0.269 2158 T C 2.231 176.944 174.700 0.021 0.000 1.042 2158 T CA 1.416 63.521 62.100 0.008 0.000 1.140 2158 T CB -0.862 67.983 68.868 -0.039 0.000 0.864 2158 T HN 0.585 nan 8.240 nan 0.000 0.455 2159 G N 0.491 109.224 108.800 -0.111 0.000 2.404 2159 G HA2 -0.146 3.820 3.960 0.010 0.000 0.215 2159 G HA3 -0.146 3.820 3.960 0.010 0.000 0.215 2159 G C 1.674 176.528 174.900 -0.078 0.000 1.174 2159 G CA 0.736 45.775 45.100 -0.102 0.000 0.780 2159 G HN 0.442 nan 8.290 nan 0.000 0.537 2160 V N 0.713 120.583 119.914 -0.072 0.000 2.626 2160 V HA -0.163 3.963 4.120 0.010 0.000 0.252 2160 V C 2.444 178.492 176.094 -0.076 0.000 1.067 2160 V CA 1.847 64.055 62.300 -0.153 0.000 1.081 2160 V CB -0.510 31.263 31.823 -0.083 0.000 0.686 2160 V HN 0.608 nan 8.190 nan 0.000 0.468 2161 H N 0.568 119.650 119.070 0.020 0.000 2.423 2161 H HA -0.094 4.468 4.556 0.010 0.000 0.297 2161 H C 1.979 177.350 175.328 0.071 0.000 1.075 2161 H CA 1.618 57.740 56.048 0.123 0.000 1.342 2161 H CB 0.182 30.006 29.762 0.102 0.000 1.395 2161 H HN 0.399 nan 8.280 nan 0.000 0.530 2162 N N 0.695 119.431 118.700 0.061 0.000 2.300 2162 N HA -0.048 4.698 4.740 0.010 0.000 0.179 2162 N C 2.359 177.799 175.510 -0.118 0.000 1.016 2162 N CA 0.296 53.339 53.050 -0.013 0.000 0.876 2162 N CB -0.149 38.364 38.487 0.044 0.000 0.979 2162 N HN 0.350 nan 8.380 nan 0.000 0.432 2163 L N -0.209 120.901 121.223 -0.188 0.000 1.994 2163 L HA -0.175 4.171 4.340 0.010 0.000 0.208 2163 L C 1.871 178.606 176.870 -0.224 0.000 1.071 2163 L CA 1.293 55.972 54.840 -0.268 0.000 0.745 2163 L CB -0.601 41.213 42.059 -0.407 0.000 0.892 2163 L HN 0.119 nan 8.230 nan 0.000 0.431 2164 Y N 0.251 120.454 120.300 -0.161 0.000 2.315 2164 Y HA -0.286 4.270 4.550 0.010 0.000 0.288 2164 Y C 2.588 178.388 175.900 -0.167 0.000 1.154 2164 Y CA 1.306 59.307 58.100 -0.165 0.000 1.229 2164 Y CB -0.552 37.807 38.460 -0.168 0.000 0.980 2164 Y HN 0.133 nan 8.280 nan 0.000 0.540 2165 K N -0.421 119.941 120.400 -0.063 0.000 2.021 2165 K HA -0.109 4.217 4.320 0.010 0.000 0.205 2165 K C 2.125 178.695 176.600 -0.051 0.000 1.047 2165 K CA 1.057 57.290 56.287 -0.089 0.000 0.943 2165 K CB -0.211 32.209 32.500 -0.134 0.000 0.725 2165 K HN 0.131 nan 8.250 nan 0.000 0.439 2166 M N -0.054 119.506 119.600 -0.066 0.000 2.089 2166 M HA -0.263 4.223 4.480 0.010 0.000 0.257 2166 M C 2.317 178.602 176.300 -0.024 0.000 1.071 2166 M CA 1.742 57.011 55.300 -0.051 0.000 1.096 2166 M CB -0.251 32.288 32.600 -0.100 0.000 1.330 2166 M HN 0.227 nan 8.290 nan 0.000 0.403 2167 M N 0.324 119.905 119.600 -0.032 0.000 2.080 2167 M HA -0.128 4.358 4.480 0.010 0.000 0.260 2167 M C 2.181 178.482 176.300 0.001 0.000 1.068 2167 M CA 2.173 57.467 55.300 -0.011 0.000 1.109 2167 M CB -0.579 32.014 32.600 -0.011 0.000 1.342 2167 M HN 0.255 nan 8.290 nan 0.000 0.405 2168 A N 0.272 123.092 122.820 -0.000 0.000 1.948 2168 A HA -0.168 4.158 4.320 0.010 0.000 0.220 2168 A C 1.495 179.079 177.584 -0.001 0.000 1.177 2168 A CA 2.009 54.045 52.037 -0.002 0.000 0.636 2168 A CB -0.939 18.054 19.000 -0.012 0.000 0.815 2168 A HN 0.740 nan 8.150 nan 0.000 0.449 2169 N N -0.413 118.286 118.700 -0.002 0.000 2.320 2169 N HA 0.233 4.979 4.740 0.010 0.000 0.237 2169 N C 0.763 176.279 175.510 0.009 0.000 1.129 2169 N CA 0.638 53.689 53.050 0.003 0.000 0.854 2169 N CB 0.264 38.753 38.487 0.002 0.000 1.083 2169 N HN 0.546 nan 8.380 nan 0.000 0.504 2170 G N 1.476 110.283 108.800 0.011 0.000 2.395 2170 G HA2 -0.267 3.699 3.960 0.010 0.000 0.300 2170 G HA3 -0.267 3.699 3.960 0.010 0.000 0.300 2170 G C 0.661 175.579 174.900 0.030 0.000 0.998 2170 G CA 0.380 45.490 45.100 0.018 0.000 1.046 2170 G HN 0.464 nan 8.290 nan 0.000 0.513 2171 I N -1.112 119.482 120.570 0.041 0.000 3.939 2171 I HA 0.262 4.438 4.170 0.010 0.000 0.313 2171 I C 1.477 177.697 176.117 0.170 0.000 1.274 2171 I CA -0.145 61.203 61.300 0.081 0.000 1.301 2171 I CB 0.216 38.254 38.000 0.063 0.000 1.105 2171 I HN 0.238 nan 8.210 nan 0.000 0.427 2172 L N 3.332 124.626 121.223 0.117 0.000 2.385 2172 L HA 0.136 4.482 4.340 0.010 0.000 0.281 2172 L C 0.630 177.613 176.870 0.188 0.000 1.106 2172 L CA 0.157 55.110 54.840 0.189 0.000 0.856 2172 L CB 0.456 42.536 42.059 0.036 0.000 1.186 2172 L HN 0.173 nan 8.230 nan 0.000 0.453 2173 K N 3.811 124.365 120.400 0.257 0.000 2.358 2173 K HA 0.180 4.506 4.320 0.010 0.000 0.197 2173 K C -0.118 176.510 176.600 0.046 0.000 1.025 2173 K CA 0.210 56.517 56.287 0.033 0.000 1.104 2173 K CB 0.492 32.904 32.500 -0.147 0.000 0.855 2173 K HN 0.477 nan 8.250 nan 0.000 0.531 2174 V N -0.573 119.418 119.914 0.129 0.000 3.007 2174 V HA 0.613 4.739 4.120 0.010 0.000 0.311 2174 V C -3.100 173.045 176.094 0.086 0.000 1.120 2174 V CA -2.679 59.678 62.300 0.096 0.000 0.980 2174 V CB 2.800 34.680 31.823 0.095 0.000 1.033 2174 V HN -0.179 nan 8.190 nan 0.000 0.429 2175 P HA 0.584 nan 4.420 nan 0.000 0.272 2175 P C -0.853 176.474 177.300 0.046 0.000 1.223 2175 P CA 0.150 63.322 63.100 0.119 0.000 0.784 2175 P CB 0.958 32.792 31.700 0.224 0.000 0.923 2176 A N 2.511 125.332 122.820 0.003 0.000 2.549 2176 A HA 0.699 5.025 4.320 0.010 0.000 0.297 2176 A C -1.160 176.384 177.584 -0.067 0.000 1.061 2176 A CA -0.639 51.355 52.037 -0.073 0.000 0.690 2176 A CB 1.096 20.006 19.000 -0.150 0.000 1.287 2176 A HN 0.413 nan 8.150 nan 0.000 0.402 2177 I N 2.205 122.722 120.570 -0.088 0.000 2.362 2177 I HA 0.201 4.377 4.170 0.010 0.000 0.289 2177 I C -0.209 175.853 176.117 -0.091 0.000 0.994 2177 I CA -0.779 60.485 61.300 -0.060 0.000 1.158 2177 I CB 1.776 39.725 38.000 -0.085 0.000 1.315 2177 I HN 0.729 nan 8.210 nan 0.000 0.451 2178 N N 6.348 124.975 118.700 -0.122 0.000 2.434 2178 N HA 0.031 4.777 4.740 0.010 0.000 0.273 2178 N C 0.501 176.044 175.510 0.054 0.000 1.210 2178 N CA 0.278 53.261 53.050 -0.111 0.000 0.992 2178 N CB 1.000 39.345 38.487 -0.237 0.000 1.355 2178 N HN 0.428 nan 8.380 nan 0.000 0.495 2179 V N 3.694 123.631 119.914 0.037 0.000 2.591 2179 V HA -0.130 3.996 4.120 0.010 0.000 0.249 2179 V C 2.100 178.260 176.094 0.111 0.000 1.053 2179 V CA 1.273 63.621 62.300 0.081 0.000 1.068 2179 V CB -0.691 31.168 31.823 0.060 0.000 0.689 2179 V HN 0.699 nan 8.190 nan 0.000 0.462 2180 N N 0.751 119.509 118.700 0.096 0.000 2.043 2180 N HA -0.215 4.531 4.740 0.010 0.000 0.193 2180 N C 1.367 176.970 175.510 0.154 0.000 1.037 2180 N CA 1.865 54.982 53.050 0.112 0.000 0.851 2180 N CB -0.188 38.353 38.487 0.089 0.000 1.027 2180 N HN 0.343 nan 8.380 nan 0.000 0.422 2181 D N -0.188 120.345 120.400 0.222 0.000 2.403 2181 D HA -0.030 4.616 4.640 0.010 0.000 0.227 2181 D C -0.059 176.387 176.300 0.242 0.000 0.995 2181 D CA 0.409 54.590 54.000 0.302 0.000 0.928 2181 D CB -0.389 40.768 40.800 0.595 0.000 0.887 2181 D HN 0.126 nan 8.370 nan 0.000 0.529 2182 S N -0.351 115.469 115.700 0.200 0.000 2.525 2182 S HA 0.019 4.495 4.470 0.010 0.000 0.285 2182 S C 1.740 176.396 174.600 0.094 0.000 1.283 2182 S CA -0.568 57.712 58.200 0.132 0.000 1.072 2182 S CB 1.053 64.316 63.200 0.105 0.000 0.867 2182 S HN -0.091 nan 8.310 nan 0.000 0.492 2183 V N 4.627 124.570 119.914 0.049 0.000 2.278 2183 V HA -0.219 3.907 4.120 0.010 0.000 0.251 2183 V C 2.566 178.753 176.094 0.156 0.000 1.062 2183 V CA 2.408 64.734 62.300 0.043 0.000 1.038 2183 V CB -1.325 30.416 31.823 -0.137 0.000 0.646 2183 V HN 1.055 nan 8.190 nan 0.000 0.447 2184 T N -2.922 111.652 114.554 0.033 0.000 3.227 2184 T HA -0.052 4.304 4.350 0.010 0.000 0.257 2184 T C 1.534 176.244 174.700 0.016 0.000 1.162 2184 T CA 0.827 62.852 62.100 -0.126 0.000 1.051 2184 T CB 0.083 68.721 68.868 -0.383 0.000 0.953 2184 T HN 0.350 nan 8.240 nan 0.000 0.535 2185 K N 0.625 121.095 120.400 0.118 0.000 2.312 2185 K HA 0.308 4.634 4.320 0.010 0.000 0.206 2185 K C 2.313 178.995 176.600 0.137 0.000 1.121 2185 K CA 0.494 56.848 56.287 0.112 0.000 0.923 2185 K CB -0.101 32.456 32.500 0.096 0.000 1.162 2185 K HN 0.253 nan 8.250 nan 0.000 0.478 2186 S N 1.460 117.232 115.700 0.120 0.000 2.371 2186 S HA -0.008 4.468 4.470 0.010 0.000 0.224 2186 S C 1.394 175.987 174.600 -0.012 0.000 1.029 2186 S CA 1.040 59.280 58.200 0.067 0.000 0.978 2186 S CB 0.083 63.325 63.200 0.069 0.000 0.833 2186 S HN 0.190 nan 8.310 nan 0.000 0.466 2187 K N 0.291 120.687 120.400 -0.006 0.000 2.487 2187 K HA 0.209 4.535 4.320 0.010 0.000 0.192 2187 K C 0.547 176.755 176.600 -0.654 0.000 1.027 2187 K CA 0.494 56.605 56.287 -0.292 0.000 1.054 2187 K CB -0.239 32.097 32.500 -0.274 0.000 0.824 2187 K HN 0.398 nan 8.250 nan 0.000 0.510 2188 F N -0.208 119.653 119.950 -0.147 0.000 2.495 2188 F HA 0.101 4.634 4.527 0.010 0.000 0.272 2188 F C 2.033 177.807 175.800 -0.043 0.000 0.919 2188 F CA -0.029 57.963 58.000 -0.014 0.000 1.178 2188 F CB -0.227 38.813 39.000 0.066 0.000 1.030 2188 F HN -0.051 nan 8.300 nan 0.000 0.777 2189 D N 0.723 121.211 120.400 0.147 0.000 2.085 2189 D HA -0.143 4.503 4.640 0.010 0.000 0.199 2189 D C 1.441 177.763 176.300 0.038 0.000 0.981 2189 D CA 1.584 55.638 54.000 0.090 0.000 0.834 2189 D CB -0.173 40.724 40.800 0.161 0.000 0.992 2189 D HN 0.076 nan 8.370 nan 0.000 0.457 2190 N N 0.347 119.080 118.700 0.054 0.000 2.120 2190 N HA -0.116 4.630 4.740 0.010 0.000 0.188 2190 N C 1.569 177.032 175.510 -0.079 0.000 1.024 2190 N CA 0.635 53.707 53.050 0.037 0.000 0.852 2190 N CB -0.374 38.120 38.487 0.013 0.000 1.003 2190 N HN 0.236 nan 8.380 nan 0.000 0.424 2191 L N -0.684 120.408 121.223 -0.218 0.000 2.116 2191 L HA 0.094 4.440 4.340 0.010 0.000 0.200 2191 L C 1.486 178.188 176.870 -0.280 0.000 1.084 2191 L CA 1.529 56.171 54.840 -0.331 0.000 0.766 2191 L CB -1.195 40.516 42.059 -0.579 0.000 0.930 2191 L HN 0.054 nan 8.230 nan 0.000 0.453 2192 Y N 0.339 120.549 120.300 -0.149 0.000 2.263 2192 Y HA 0.093 4.649 4.550 0.010 0.000 0.292 2192 Y C 2.551 178.329 175.900 -0.204 0.000 1.130 2192 Y CA 0.841 58.859 58.100 -0.136 0.000 1.179 2192 Y CB -1.521 36.886 38.460 -0.088 0.000 0.998 2192 Y HN 0.242 nan 8.280 nan 0.000 0.532 2193 G N -0.971 107.672 108.800 -0.262 0.000 2.446 2193 G HA2 -0.264 3.702 3.960 0.010 0.000 0.217 2193 G HA3 -0.264 3.702 3.960 0.010 0.000 0.217 2193 G C 1.764 176.331 174.900 -0.556 0.000 1.168 2193 G CA 1.401 46.001 45.100 -0.833 0.000 0.771 2193 G HN 0.471 nan 8.290 nan 0.000 0.551 2194 C N -0.315 118.829 119.300 -0.261 0.000 2.435 2194 C HA 0.118 4.584 4.460 0.010 0.000 0.279 2194 C C 2.796 177.804 174.990 0.030 0.000 1.321 2194 C CA 0.671 59.710 59.018 0.035 0.000 1.752 2194 C CB -0.777 27.003 27.740 0.067 0.000 1.959 2194 C HN 0.566 nan 8.230 nan 0.000 0.500 2195 R N 0.932 121.436 120.500 0.006 0.000 2.193 2195 R HA -0.124 4.222 4.340 0.010 0.000 0.229 2195 R C 1.817 178.152 176.300 0.058 0.000 1.110 2195 R CA 1.473 57.598 56.100 0.042 0.000 0.988 2195 R CB -0.060 30.277 30.300 0.061 0.000 0.871 2195 R HN 0.639 nan 8.270 nan 0.000 0.458 2196 E N -1.088 119.140 120.200 0.046 0.000 2.290 2196 E HA -0.022 4.334 4.350 0.010 0.000 0.199 2196 E C 1.724 178.383 176.600 0.097 0.000 0.912 2196 E CA 0.829 57.270 56.400 0.069 0.000 0.924 2196 E CB 0.453 30.182 29.700 0.048 0.000 0.901 2196 E HN 0.351 nan 8.360 nan 0.000 0.487 2197 S N 1.117 116.882 115.700 0.108 0.000 2.496 2197 S HA -0.038 4.439 4.470 0.010 0.000 0.224 2197 S C 2.033 176.706 174.600 0.122 0.000 0.996 2197 S CA 0.101 58.389 58.200 0.146 0.000 0.927 2197 S CB -0.062 63.299 63.200 0.268 0.000 0.774 2197 S HN 0.125 nan 8.310 nan 0.000 0.524 2198 L N 2.170 123.461 121.223 0.113 0.000 1.973 2198 L HA 0.075 4.421 4.340 0.010 0.000 0.208 2198 L C 2.224 179.143 176.870 0.082 0.000 1.073 2198 L CA 1.749 56.644 54.840 0.091 0.000 0.746 2198 L CB -0.688 41.422 42.059 0.084 0.000 0.891 2198 L HN 0.234 nan 8.230 nan 0.000 0.433 2199 I N 0.023 120.653 120.570 0.101 0.000 2.335 2199 I HA -0.274 3.902 4.170 0.010 0.000 0.251 2199 I C 2.185 178.339 176.117 0.062 0.000 1.129 2199 I CA 1.565 62.917 61.300 0.088 0.000 1.402 2199 I CB -1.484 36.614 38.000 0.164 0.000 1.069 2199 I HN 0.439 nan 8.210 nan 0.000 0.424 2200 D N 1.303 121.752 120.400 0.081 0.000 2.144 2200 D HA -0.120 4.526 4.640 0.010 0.000 0.199 2200 D C 2.248 178.577 176.300 0.048 0.000 0.984 2200 D CA 1.571 55.611 54.000 0.068 0.000 0.834 2200 D CB -0.140 40.709 40.800 0.082 0.000 0.955 2200 D HN 0.323 nan 8.370 nan 0.000 0.465 2201 G N 0.338 109.168 108.800 0.050 0.000 2.404 2201 G HA2 -0.163 3.803 3.960 0.010 0.000 0.215 2201 G HA3 -0.163 3.803 3.960 0.010 0.000 0.215 2201 G C 1.913 176.828 174.900 0.025 0.000 1.174 2201 G CA 0.526 45.647 45.100 0.036 0.000 0.780 2201 G HN 0.326 nan 8.290 nan 0.000 0.537 2202 I N 0.356 120.941 120.570 0.025 0.000 2.142 2202 I HA -0.162 4.014 4.170 0.010 0.000 0.240 2202 I C 2.866 178.980 176.117 -0.005 0.000 1.078 2202 I CA 1.090 62.398 61.300 0.013 0.000 1.343 2202 I CB -0.135 37.871 38.000 0.009 0.000 1.046 2202 I HN 0.020 nan 8.210 nan 0.000 0.405 2203 K N 0.841 121.231 120.400 -0.017 0.000 1.991 2203 K HA -0.170 4.156 4.320 0.010 0.000 0.212 2203 K C 2.184 178.775 176.600 -0.015 0.000 1.049 2203 K CA 1.563 57.829 56.287 -0.034 0.000 0.932 2203 K CB -0.540 31.932 32.500 -0.047 0.000 0.717 2203 K HN 0.318 nan 8.250 nan 0.000 0.441 2204 R N 0.222 120.723 120.500 0.001 0.000 2.117 2204 R HA -0.139 4.207 4.340 0.010 0.000 0.243 2204 R C 2.303 178.603 176.300 0.000 0.000 1.143 2204 R CA 1.455 57.559 56.100 0.006 0.000 0.968 2204 R CB -0.274 30.037 30.300 0.019 0.000 0.863 2204 R HN 0.238 nan 8.270 nan 0.000 0.444 2205 A N -0.001 122.818 122.820 -0.001 0.000 1.878 2205 A HA -0.098 4.228 4.320 0.010 0.000 0.213 2205 A C 2.180 179.760 177.584 -0.007 0.000 1.192 2205 A CA 1.658 53.691 52.037 -0.006 0.000 0.619 2205 A CB -0.333 18.664 19.000 -0.005 0.000 0.837 2205 A HN 0.461 nan 8.150 nan 0.000 0.446 2206 T N -5.750 108.800 114.554 -0.006 0.000 3.034 2206 T HA 0.131 4.487 4.350 0.010 0.000 0.248 2206 T C 0.463 175.153 174.700 -0.017 0.000 1.040 2206 T CA 0.945 63.041 62.100 -0.007 0.000 1.107 2206 T CB 0.058 68.926 68.868 -0.001 0.000 0.932 2206 T HN 0.296 nan 8.240 nan 0.000 0.474 2207 D N 0.520 120.904 120.400 -0.026 0.000 3.041 2207 D HA -0.123 4.523 4.640 0.010 0.000 0.220 2207 D C 0.124 176.395 176.300 -0.048 0.000 1.157 2207 D CA 0.532 54.511 54.000 -0.036 0.000 0.876 2207 D CB -1.853 38.931 40.800 -0.025 0.000 1.107 2207 D HN 0.506 nan 8.370 nan 0.000 0.422 2208 V N 0.357 120.242 119.914 -0.049 0.000 3.096 2208 V HA 0.169 4.295 4.120 0.010 0.000 0.306 2208 V C 0.774 176.814 176.094 -0.089 0.000 1.088 2208 V CA -0.037 62.231 62.300 -0.054 0.000 1.129 2208 V CB 1.233 33.031 31.823 -0.041 0.000 1.014 2208 V HN 0.222 nan 8.190 nan 0.000 0.486 2209 M N 5.732 125.283 119.600 -0.081 0.000 2.144 2209 M HA 0.349 4.835 4.480 0.010 0.000 0.356 2209 M C 0.227 176.460 176.300 -0.111 0.000 1.217 2209 M CA 0.094 55.332 55.300 -0.104 0.000 1.087 2209 M CB 0.995 33.556 32.600 -0.065 0.000 1.609 2209 M HN 0.552 nan 8.290 nan 0.000 0.467 2210 I N 3.061 123.525 120.570 -0.178 0.000 2.400 2210 I HA 0.128 4.304 4.170 0.010 0.000 0.248 2210 I C 1.096 177.194 176.117 -0.031 0.000 1.109 2210 I CA 0.505 61.730 61.300 -0.126 0.000 1.425 2210 I CB -1.800 36.068 38.000 -0.220 0.000 1.094 2210 I HN 0.794 nan 8.210 nan 0.000 0.425 2211 A N 0.623 123.436 122.820 -0.011 0.000 2.546 2211 A HA 0.374 4.700 4.320 0.010 0.000 0.243 2211 A C 1.514 179.105 177.584 0.011 0.000 1.063 2211 A CA 0.916 52.975 52.037 0.036 0.000 0.757 2211 A CB -0.499 18.532 19.000 0.051 0.000 0.991 2211 A HN 0.830 nan 8.150 nan 0.000 0.503 2212 G N 1.847 110.657 108.800 0.016 0.000 2.241 2212 G HA2 -0.207 3.759 3.960 0.010 0.000 0.244 2212 G HA3 -0.207 3.759 3.960 0.010 0.000 0.244 2212 G C 0.424 175.320 174.900 -0.007 0.000 0.998 2212 G CA 0.520 45.622 45.100 0.004 0.000 0.621 2212 G HN 0.800 nan 8.290 nan 0.000 0.519 2213 K N 0.232 120.625 120.400 -0.013 0.000 2.098 2213 K HA 0.617 4.943 4.320 0.010 0.000 0.244 2213 K C -0.050 176.526 176.600 -0.039 0.000 1.014 2213 K CA -0.501 55.767 56.287 -0.031 0.000 0.917 2213 K CB 2.105 34.579 32.500 -0.042 0.000 1.072 2213 K HN 0.087 nan 8.250 nan 0.000 0.477 2214 V N 1.317 121.188 119.914 -0.072 0.000 2.370 2214 V HA 0.347 4.473 4.120 0.010 0.000 0.283 2214 V C -0.323 175.668 176.094 -0.172 0.000 1.023 2214 V CA -0.763 61.480 62.300 -0.095 0.000 0.857 2214 V CB 1.117 32.882 31.823 -0.097 0.000 0.985 2214 V HN 0.828 nan 8.190 nan 0.000 0.443 2215 A N 5.219 127.953 122.820 -0.143 0.000 2.287 2215 A HA 0.798 5.124 4.320 0.010 0.000 0.317 2215 A C -0.706 176.753 177.584 -0.209 0.000 1.220 2215 A CA -0.505 51.417 52.037 -0.193 0.000 0.835 2215 A CB 1.336 20.281 19.000 -0.091 0.000 1.180 2215 A HN 0.628 nan 8.150 nan 0.000 0.500 2216 V N 3.630 123.345 119.914 -0.332 0.000 2.350 2216 V HA 0.379 4.505 4.120 0.010 0.000 0.276 2216 V C -0.228 175.812 176.094 -0.089 0.000 1.028 2216 V CA -0.403 61.772 62.300 -0.208 0.000 0.860 2216 V CB 1.196 32.893 31.823 -0.210 0.000 0.990 2216 V HN 0.605 nan 8.190 nan 0.000 0.453 2217 V N 4.301 124.170 119.914 -0.075 0.000 2.384 2217 V HA 0.698 4.824 4.120 0.010 0.000 0.287 2217 V C 0.448 176.526 176.094 -0.027 0.000 1.020 2217 V CA -0.626 61.649 62.300 -0.041 0.000 0.850 2217 V CB 1.696 33.480 31.823 -0.065 0.000 0.987 2217 V HN 0.936 nan 8.190 nan 0.000 0.436 2218 A N 3.956 126.776 122.820 -0.001 0.000 2.252 2218 A HA 0.817 5.143 4.320 0.010 0.000 0.309 2218 A C 0.628 178.219 177.584 0.012 0.000 1.285 2218 A CA 0.283 52.318 52.037 -0.005 0.000 0.900 2218 A CB 0.071 19.063 19.000 -0.014 0.000 1.157 2218 A HN 2.062 nan 8.150 nan 0.000 0.536 2219 G N 0.672 109.488 108.800 0.026 0.000 3.209 2219 G HA2 -0.043 3.923 3.960 0.010 0.000 0.686 2219 G HA3 -0.043 3.923 3.960 0.010 0.000 0.686 2219 G C -0.684 174.289 174.900 0.122 0.000 1.065 2219 G CA -0.371 44.762 45.100 0.055 0.000 0.812 2219 G HN 1.333 nan 8.290 nan 0.000 0.573 2220 Y N 3.010 123.283 120.300 -0.046 0.000 2.781 2220 Y HA 0.511 5.067 4.550 0.010 0.000 0.326 2220 Y C 1.370 177.251 175.900 -0.032 0.000 1.019 2220 Y CA -0.062 58.007 58.100 -0.053 0.000 1.372 2220 Y CB 0.007 38.438 38.460 -0.048 0.000 1.260 2220 Y HN 0.888 nan 8.280 nan 0.000 0.546 2221 G N 0.041 108.793 108.800 -0.080 0.000 2.516 2221 G HA2 -0.019 3.947 3.960 0.010 0.000 0.276 2221 G HA3 -0.019 3.947 3.960 0.010 0.000 0.276 2221 G C 0.582 175.348 174.900 -0.223 0.000 1.390 2221 G CA -0.077 44.952 45.100 -0.118 0.000 1.050 2221 G HN 0.224 nan 8.290 nan 0.000 0.519 2222 D N -1.228 119.075 120.400 -0.162 0.000 2.123 2222 D HA -0.127 4.519 4.640 0.010 0.000 0.196 2222 D C 2.695 178.894 176.300 -0.168 0.000 0.992 2222 D CA 0.757 54.641 54.000 -0.192 0.000 0.833 2222 D CB -0.299 40.418 40.800 -0.139 0.000 0.954 2222 D HN 0.054 nan 8.370 nan 0.000 0.455 2223 V N 0.721 120.578 119.914 -0.094 0.000 2.343 2223 V HA -0.159 3.967 4.120 0.010 0.000 0.247 2223 V C 2.504 178.559 176.094 -0.065 0.000 1.051 2223 V CA 2.031 64.302 62.300 -0.049 0.000 1.036 2223 V CB -0.962 30.862 31.823 0.001 0.000 0.654 2223 V HN 0.251 nan 8.190 nan 0.000 0.451 2224 G N 0.030 108.780 108.800 -0.084 0.000 2.459 2224 G HA2 -0.271 3.695 3.960 0.010 0.000 0.217 2224 G HA3 -0.271 3.695 3.960 0.010 0.000 0.217 2224 G C 1.616 176.453 174.900 -0.104 0.000 1.183 2224 G CA 1.041 46.111 45.100 -0.050 0.000 0.776 2224 G HN 0.495 nan 8.290 nan 0.000 0.552 2225 K N 0.258 120.434 120.400 -0.373 0.000 2.103 2225 K HA -0.044 4.282 4.320 0.010 0.000 0.207 2225 K C 2.681 179.219 176.600 -0.103 0.000 1.048 2225 K CA 1.078 57.136 56.287 -0.383 0.000 0.930 2225 K CB -0.397 31.753 32.500 -0.584 0.000 0.716 2225 K HN 0.289 nan 8.250 nan 0.000 0.444 2226 G N 0.718 109.448 108.800 -0.116 0.000 2.394 2226 G HA2 -0.222 3.744 3.960 0.010 0.000 0.215 2226 G HA3 -0.222 3.744 3.960 0.010 0.000 0.215 2226 G C 1.570 176.474 174.900 0.007 0.000 1.165 2226 G CA 0.852 45.920 45.100 -0.053 0.000 0.784 2226 G HN 0.323 nan 8.290 nan 0.000 0.535 2227 C N 0.971 120.275 119.300 0.005 0.000 2.446 2227 C HA 0.239 4.705 4.460 0.010 0.000 0.277 2227 C C 3.525 178.541 174.990 0.043 0.000 1.275 2227 C CA 0.689 59.726 59.018 0.032 0.000 1.727 2227 C CB -0.912 26.841 27.740 0.022 0.000 2.010 2227 C HN 0.551 nan 8.230 nan 0.000 0.486 2228 A N -0.003 122.831 122.820 0.022 0.000 1.883 2228 A HA -0.289 4.037 4.320 0.010 0.000 0.217 2228 A C 2.177 179.872 177.584 0.184 0.000 1.186 2228 A CA 1.970 54.009 52.037 0.003 0.000 0.624 2228 A CB -0.824 18.035 19.000 -0.236 0.000 0.822 2228 A HN 0.719 nan 8.150 nan 0.000 0.444 2229 Q N -0.840 119.080 119.800 0.199 0.000 2.224 2229 Q HA -0.072 4.274 4.340 0.010 0.000 0.203 2229 Q C 2.143 178.204 176.000 0.102 0.000 0.970 2229 Q CA 1.130 57.044 55.803 0.185 0.000 0.865 2229 Q CB -0.266 28.551 28.738 0.132 0.000 0.922 2229 Q HN 0.658 nan 8.270 nan 0.000 0.445 2230 A N 0.706 123.580 122.820 0.091 0.000 1.832 2230 A HA -0.146 4.180 4.320 0.010 0.000 0.214 2230 A C 1.994 179.669 177.584 0.152 0.000 1.200 2230 A CA 1.094 53.181 52.037 0.082 0.000 0.610 2230 A CB -0.860 18.208 19.000 0.114 0.000 0.842 2230 A HN 0.386 nan 8.150 nan 0.000 0.444 2231 L N -0.681 120.649 121.223 0.179 0.000 1.971 2231 L HA -0.241 4.105 4.340 0.010 0.000 0.215 2231 L C 2.825 179.810 176.870 0.192 0.000 1.072 2231 L CA 1.919 56.880 54.840 0.203 0.000 0.758 2231 L CB -0.649 41.477 42.059 0.112 0.000 0.889 2231 L HN 0.419 nan 8.230 nan 0.000 0.433 2232 R N 0.925 121.526 120.500 0.169 0.000 2.139 2232 R HA -0.164 4.182 4.340 0.010 0.000 0.243 2232 R C 1.949 178.303 176.300 0.090 0.000 1.145 2232 R CA 1.719 57.914 56.100 0.158 0.000 0.976 2232 R CB -0.696 29.754 30.300 0.249 0.000 0.866 2232 R HN 0.466 nan 8.270 nan 0.000 0.449 2233 G N -1.226 107.601 108.800 0.045 0.000 2.744 2233 G HA2 -0.139 3.827 3.960 0.010 0.000 0.211 2233 G HA3 -0.139 3.827 3.960 0.010 0.000 0.211 2233 G C 0.793 175.618 174.900 -0.125 0.000 1.143 2233 G CA -0.131 44.926 45.100 -0.071 0.000 0.788 2233 G HN 0.263 nan 8.290 nan 0.000 0.534 2234 F N -0.052 119.913 119.950 0.025 0.000 2.721 2234 F HA 0.360 4.893 4.527 0.010 0.000 0.301 2234 F C 1.858 177.664 175.800 0.011 0.000 1.096 2234 F CA 0.004 58.014 58.000 0.016 0.000 1.308 2234 F CB 0.951 39.961 39.000 0.016 0.000 1.086 2234 F HN 0.216 nan 8.300 nan 0.000 0.587 2235 G N 0.005 108.913 108.800 0.181 0.000 2.168 2235 G HA2 0.001 3.967 3.960 0.010 0.000 0.197 2235 G HA3 0.001 3.967 3.960 0.010 0.000 0.197 2235 G C 0.284 175.233 174.900 0.082 0.000 0.997 2235 G CA -0.215 44.949 45.100 0.107 0.000 0.658 2235 G HN 0.546 nan 8.290 nan 0.000 0.513 2236 A N -0.173 122.707 122.820 0.099 0.000 2.286 2236 A HA 0.834 5.160 4.320 0.010 0.000 0.286 2236 A C 0.527 178.144 177.584 0.056 0.000 1.097 2236 A CA 0.129 52.203 52.037 0.062 0.000 0.821 2236 A CB 0.584 19.622 19.000 0.063 0.000 1.076 2236 A HN 0.752 nan 8.150 nan 0.000 0.490 2237 R N 1.261 121.779 120.500 0.030 0.000 2.246 2237 R HA 0.511 4.857 4.340 0.010 0.000 0.332 2237 R C -1.593 174.727 176.300 0.034 0.000 0.974 2237 R CA -0.290 55.831 56.100 0.035 0.000 0.837 2237 R CB 0.689 30.996 30.300 0.011 0.000 1.145 2237 R HN 0.465 nan 8.270 nan 0.000 0.467 2238 V N 6.945 126.921 119.914 0.103 0.000 2.407 2238 V HA 0.359 4.485 4.120 0.010 0.000 0.278 2238 V C 0.383 176.515 176.094 0.063 0.000 1.037 2238 V CA -0.510 61.836 62.300 0.078 0.000 0.900 2238 V CB 1.283 33.186 31.823 0.134 0.000 0.983 2238 V HN 0.701 nan 8.190 nan 0.000 0.459 2239 I N 5.346 125.890 120.570 -0.043 0.000 2.562 2239 I HA 0.562 4.738 4.170 0.010 0.000 0.301 2239 I C -0.590 175.458 176.117 -0.115 0.000 1.003 2239 I CA -0.572 60.698 61.300 -0.050 0.000 1.127 2239 I CB 2.093 40.064 38.000 -0.047 0.000 1.304 2239 I HN 0.446 nan 8.210 nan 0.000 0.446 2240 I N 3.221 123.714 120.570 -0.128 0.000 2.608 2240 I HA 0.363 4.539 4.170 0.010 0.000 0.295 2240 I C -0.216 175.839 176.117 -0.102 0.000 1.049 2240 I CA -0.191 61.009 61.300 -0.166 0.000 1.063 2240 I CB 2.532 40.333 38.000 -0.331 0.000 1.248 2240 I HN 0.585 nan 8.210 nan 0.000 0.424 2241 T N 2.162 116.673 114.554 -0.071 0.000 2.841 2241 T HA 0.721 5.077 4.350 0.010 0.000 0.283 2241 T C -0.687 173.996 174.700 -0.028 0.000 1.000 2241 T CA -0.568 61.505 62.100 -0.045 0.000 0.977 2241 T CB 1.999 70.844 68.868 -0.038 0.000 0.979 2241 T HN 0.485 nan 8.240 nan 0.000 0.446 2242 E N 1.479 121.668 120.200 -0.019 0.000 2.449 2242 E HA 0.393 4.749 4.350 0.010 0.000 0.278 2242 E C 0.190 176.794 176.600 0.006 0.000 0.992 2242 E CA -0.645 55.758 56.400 0.005 0.000 0.807 2242 E CB 2.151 31.862 29.700 0.018 0.000 1.350 2242 E HN 0.845 nan 8.360 nan 0.000 0.462 2243 I N -2.642 117.937 120.570 0.016 0.000 4.154 2243 I HA 0.404 4.580 4.170 0.010 0.000 0.334 2243 I C 0.248 176.377 176.117 0.020 0.000 1.371 2243 I CA -0.157 61.152 61.300 0.014 0.000 1.110 2243 I CB 0.787 38.795 38.000 0.014 0.000 1.085 2243 I HN -0.041 nan 8.210 nan 0.000 0.398 2244 E N 2.554 122.771 120.200 0.028 0.000 2.166 2244 E HA 0.335 4.691 4.350 0.010 0.000 0.275 2244 E C -1.873 174.745 176.600 0.031 0.000 0.941 2244 E CA -1.879 54.541 56.400 0.033 0.000 0.784 2244 E CB 2.106 31.833 29.700 0.044 0.000 1.115 2244 E HN -0.013 nan 8.360 nan 0.000 0.399 2245 P HA -0.088 nan 4.420 nan 0.000 0.214 2245 P C 1.460 178.777 177.300 0.029 0.000 1.162 2245 P CA 0.969 64.082 63.100 0.021 0.000 0.879 2245 P CB 0.335 32.045 31.700 0.016 0.000 0.786 2246 I N -0.298 120.293 120.570 0.035 0.000 2.076 2246 I HA -0.304 3.872 4.170 0.010 0.000 0.237 2246 I C 2.243 178.404 176.117 0.074 0.000 1.059 2246 I CA 1.670 62.997 61.300 0.045 0.000 1.317 2246 I CB -0.888 37.136 38.000 0.040 0.000 1.037 2246 I HN -0.021 nan 8.210 nan 0.000 0.398 2247 N N 0.884 119.642 118.700 0.096 0.000 2.091 2247 N HA -0.243 4.503 4.740 0.010 0.000 0.193 2247 N C 1.846 177.459 175.510 0.172 0.000 1.021 2247 N CA 1.777 54.936 53.050 0.182 0.000 0.862 2247 N CB -0.253 38.337 38.487 0.172 0.000 1.018 2247 N HN 0.433 nan 8.380 nan 0.000 0.429 2248 A N 1.424 124.284 122.820 0.066 0.000 1.873 2248 A HA -0.076 4.250 4.320 0.010 0.000 0.215 2248 A C 2.208 179.781 177.584 -0.018 0.000 1.186 2248 A CA 0.792 52.824 52.037 -0.009 0.000 0.616 2248 A CB -0.688 18.308 19.000 -0.007 0.000 0.823 2248 A HN 0.202 nan 8.150 nan 0.000 0.442 2249 L N -0.060 121.172 121.223 0.015 0.000 2.191 2249 L HA -0.188 4.158 4.340 0.010 0.000 0.212 2249 L C 2.372 179.258 176.870 0.027 0.000 1.103 2249 L CA 1.923 56.771 54.840 0.013 0.000 0.769 2249 L CB -0.566 41.504 42.059 0.019 0.000 0.908 2249 L HN 0.498 nan 8.230 nan 0.000 0.438 2250 Q N -1.065 118.777 119.800 0.070 0.000 2.020 2250 Q HA -0.136 4.210 4.340 0.010 0.000 0.198 2250 Q C 2.306 178.359 176.000 0.088 0.000 0.974 2250 Q CA 1.536 57.426 55.803 0.144 0.000 0.829 2250 Q CB -0.350 28.574 28.738 0.310 0.000 0.894 2250 Q HN 0.657 nan 8.270 nan 0.000 0.433 2251 A N 1.115 123.830 122.820 -0.176 0.000 1.948 2251 A HA -0.202 4.124 4.320 0.010 0.000 0.220 2251 A C 2.242 179.787 177.584 -0.065 0.000 1.177 2251 A CA 1.799 53.573 52.037 -0.440 0.000 0.636 2251 A CB -0.759 17.735 19.000 -0.843 0.000 0.815 2251 A HN 0.427 nan 8.150 nan 0.000 0.449 2252 A N -0.920 121.864 122.820 -0.060 0.000 1.898 2252 A HA -0.044 4.282 4.320 0.010 0.000 0.216 2252 A C 2.004 179.574 177.584 -0.025 0.000 1.181 2252 A CA 1.667 53.686 52.037 -0.029 0.000 0.620 2252 A CB -0.427 18.558 19.000 -0.025 0.000 0.819 2252 A HN 0.422 nan 8.150 nan 0.000 0.442 2253 M N 0.012 119.607 119.600 -0.007 0.000 2.700 2253 M HA 0.002 4.488 4.480 0.010 0.000 0.249 2253 M C 0.557 176.844 176.300 -0.022 0.000 1.082 2253 M CA 0.858 56.154 55.300 -0.007 0.000 1.077 2253 M CB -0.669 31.939 32.600 0.013 0.000 1.477 2253 M HN 0.315 nan 8.290 nan 0.000 0.529 2254 E N -0.595 119.580 120.200 -0.042 0.000 2.526 2254 E HA 0.280 4.636 4.350 0.010 0.000 0.208 2254 E C 1.375 177.791 176.600 -0.306 0.000 0.997 2254 E CA 0.389 56.715 56.400 -0.123 0.000 0.961 2254 E CB 0.605 30.280 29.700 -0.041 0.000 1.030 2254 E HN 0.555 nan 8.360 nan 0.000 0.483 2255 G N 0.947 109.617 108.800 -0.217 0.000 2.176 2255 G HA2 -0.274 3.692 3.960 0.010 0.000 0.232 2255 G HA3 -0.274 3.692 3.960 0.010 0.000 0.232 2255 G C -0.146 174.627 174.900 -0.212 0.000 0.986 2255 G CA -0.161 44.805 45.100 -0.223 0.000 0.643 2255 G HN 0.166 nan 8.290 nan 0.000 0.522 2256 Y N 1.353 121.604 120.300 -0.082 0.000 2.319 2256 Y HA 0.495 5.051 4.550 0.010 0.000 0.328 2256 Y C 0.831 176.667 175.900 -0.105 0.000 1.133 2256 Y CA -0.692 57.345 58.100 -0.105 0.000 1.265 2256 Y CB 0.839 39.191 38.460 -0.179 0.000 1.218 2256 Y HN 0.324 nan 8.280 nan 0.000 0.508 2257 E N 2.594 122.852 120.200 0.096 0.000 2.229 2257 E HA 0.464 4.820 4.350 0.010 0.000 0.283 2257 E C -1.604 174.992 176.600 -0.007 0.000 1.030 2257 E CA -0.496 55.918 56.400 0.024 0.000 0.836 2257 E CB 0.681 30.390 29.700 0.014 0.000 1.068 2257 E HN 0.435 nan 8.360 nan 0.000 0.401 2258 V N 4.996 124.895 119.914 -0.026 0.000 2.417 2258 V HA 0.485 4.611 4.120 0.010 0.000 0.291 2258 V C 0.210 176.287 176.094 -0.029 0.000 1.024 2258 V CA -0.236 62.035 62.300 -0.047 0.000 0.861 2258 V CB 0.972 32.757 31.823 -0.064 0.000 0.985 2258 V HN 0.971 nan 8.190 nan 0.000 0.436 2259 T N 0.011 114.549 114.554 -0.028 0.000 2.648 2259 T HA 0.519 4.875 4.350 0.010 0.000 0.304 2259 T C -0.139 174.551 174.700 -0.016 0.000 1.312 2259 T CA -0.274 61.816 62.100 -0.015 0.000 1.023 2259 T CB 1.581 70.445 68.868 -0.007 0.000 1.612 2259 T HN 0.739 nan 8.240 nan 0.000 0.487 2260 T N -0.857 113.693 114.554 -0.007 0.000 2.904 2260 T HA 0.406 4.762 4.350 0.010 0.000 0.290 2260 T C 1.245 175.938 174.700 -0.012 0.000 1.018 2260 T CA -0.539 61.557 62.100 -0.007 0.000 1.075 2260 T CB 0.947 69.819 68.868 0.007 0.000 0.986 2260 T HN 0.660 nan 8.240 nan 0.000 0.523 2261 M N 1.025 120.597 119.600 -0.047 0.000 2.279 2261 M HA -0.031 4.455 4.480 0.010 0.000 0.264 2261 M C 1.299 177.560 176.300 -0.065 0.000 1.062 2261 M CA 1.547 56.767 55.300 -0.133 0.000 1.099 2261 M CB -1.079 31.317 32.600 -0.340 0.000 1.394 2261 M HN 0.709 nan 8.290 nan 0.000 0.426 2262 D N 0.059 120.505 120.400 0.078 0.000 2.149 2262 D HA -0.155 4.491 4.640 0.010 0.000 0.198 2262 D C 1.932 178.281 176.300 0.083 0.000 0.990 2262 D CA 1.139 55.231 54.000 0.152 0.000 0.839 2262 D CB -0.093 40.760 40.800 0.087 0.000 0.948 2262 D HN 0.442 nan 8.370 nan 0.000 0.460 2263 E N -0.159 120.070 120.200 0.049 0.000 2.166 2263 E HA 0.128 4.484 4.350 0.010 0.000 0.192 2263 E C 1.973 178.605 176.600 0.052 0.000 0.967 2263 E CA 0.359 56.783 56.400 0.041 0.000 0.840 2263 E CB 0.041 29.756 29.700 0.025 0.000 0.795 2263 E HN 0.146 nan 8.360 nan 0.000 0.470 2264 A N 1.185 124.037 122.820 0.053 0.000 1.968 2264 A HA -0.146 4.180 4.320 0.010 0.000 0.217 2264 A C 2.482 180.176 177.584 0.184 0.000 1.169 2264 A CA 1.283 53.369 52.037 0.081 0.000 0.638 2264 A CB -0.979 18.058 19.000 0.062 0.000 0.812 2264 A HN 0.482 nan 8.150 nan 0.000 0.446 2265 C N -0.590 118.814 119.300 0.173 0.000 2.409 2265 C HA -0.007 4.459 4.460 0.010 0.000 0.288 2265 C C 2.114 177.252 174.990 0.246 0.000 1.395 2265 C CA 0.918 60.057 59.018 0.202 0.000 1.792 2265 C CB -1.465 26.224 27.740 -0.084 0.000 1.847 2265 C HN 0.563 nan 8.230 nan 0.000 0.534 2266 K N 0.464 120.961 120.400 0.162 0.000 2.305 2266 K HA 0.049 4.375 4.320 0.010 0.000 0.199 2266 K C 2.164 178.835 176.600 0.118 0.000 1.047 2266 K CA 0.746 57.109 56.287 0.127 0.000 0.976 2266 K CB -0.032 32.517 32.500 0.082 0.000 0.765 2266 K HN 0.516 nan 8.250 nan 0.000 0.474 2267 E N 0.485 120.748 120.200 0.105 0.000 2.206 2267 E HA 0.046 4.402 4.350 0.010 0.000 0.195 2267 E C 0.950 177.543 176.600 -0.012 0.000 0.935 2267 E CA 0.138 56.564 56.400 0.043 0.000 0.875 2267 E CB 0.315 30.024 29.700 0.016 0.000 0.841 2267 E HN 0.218 nan 8.360 nan 0.000 0.477 2268 G N 1.177 109.924 108.800 -0.088 0.000 2.614 2268 G HA2 -0.029 3.937 3.960 0.010 0.000 0.239 2268 G HA3 -0.029 3.937 3.960 0.010 0.000 0.239 2268 G C 0.542 175.253 174.900 -0.316 0.000 1.240 2268 G CA -0.243 44.620 45.100 -0.394 0.000 0.842 2268 G HN 0.130 nan 8.290 nan 0.000 0.584 2269 N N -0.407 118.097 118.700 -0.327 0.000 2.382 2269 N HA 0.103 4.849 4.740 0.010 0.000 0.200 2269 N C 0.039 175.466 175.510 -0.139 0.000 1.122 2269 N CA 0.286 53.255 53.050 -0.136 0.000 0.870 2269 N CB 1.148 39.587 38.487 -0.080 0.000 1.176 2269 N HN 0.346 nan 8.380 nan 0.000 0.474 2270 I N 0.915 121.305 120.570 -0.300 0.000 2.466 2270 I HA 0.333 4.509 4.170 0.010 0.000 0.289 2270 I C -1.351 174.544 176.117 -0.370 0.000 1.026 2270 I CA -0.570 60.624 61.300 -0.175 0.000 1.078 2270 I CB 1.784 39.724 38.000 -0.099 0.000 1.249 2270 I HN -0.233 nan 8.210 nan 0.000 0.429 2271 F N 5.692 125.638 119.950 -0.007 0.000 2.467 2271 F HA 0.603 5.137 4.527 0.010 0.000 0.336 2271 F C -0.313 175.474 175.800 -0.021 0.000 1.123 2271 F CA -0.861 57.117 58.000 -0.037 0.000 0.964 2271 F CB 1.897 40.852 39.000 -0.074 0.000 1.136 2271 F HN -0.038 nan 8.300 nan 0.000 0.447 2272 V N 2.208 122.190 119.914 0.113 0.000 2.409 2272 V HA 0.332 4.458 4.120 0.010 0.000 0.290 2272 V C -0.327 175.800 176.094 0.055 0.000 1.017 2272 V CA -0.940 61.404 62.300 0.073 0.000 0.841 2272 V CB 1.796 33.643 31.823 0.039 0.000 1.003 2272 V HN 0.796 nan 8.190 nan 0.000 0.426 2273 T N 0.195 114.780 114.554 0.052 0.000 2.780 2273 T HA 0.383 4.739 4.350 0.010 0.000 0.294 2273 T C 0.833 175.551 174.700 0.030 0.000 0.949 2273 T CA 0.270 62.388 62.100 0.031 0.000 1.074 2273 T CB 1.306 70.187 68.868 0.022 0.000 0.910 2273 T HN 0.836 nan 8.240 nan 0.000 0.501 2274 T N -1.149 113.419 114.554 0.023 0.000 3.004 2274 T HA 0.204 4.560 4.350 0.010 0.000 0.266 2274 T C 1.022 175.734 174.700 0.020 0.000 0.986 2274 T CA 0.265 62.379 62.100 0.023 0.000 0.902 2274 T CB -0.285 68.593 68.868 0.018 0.000 1.118 2274 T HN 0.894 nan 8.240 nan 0.000 0.522 2275 T N 0.022 114.587 114.554 0.018 0.000 2.856 2275 T HA 0.461 4.817 4.350 0.010 0.000 0.306 2275 T C 1.201 175.911 174.700 0.016 0.000 1.062 2275 T CA 0.153 62.260 62.100 0.013 0.000 1.083 2275 T CB 0.975 69.848 68.868 0.007 0.000 0.984 2275 T HN 0.284 nan 8.240 nan 0.000 0.542 2276 G N 0.336 109.137 108.800 0.002 0.000 3.609 2276 G HA2 0.393 4.359 3.960 0.010 0.000 0.280 2276 G HA3 0.393 4.359 3.960 0.010 0.000 0.280 2276 G C 0.328 175.227 174.900 -0.002 0.000 1.155 2276 G CA -0.104 44.999 45.100 0.005 0.000 0.876 2276 G HN 1.090 nan 8.290 nan 0.000 0.535 2277 C N 0.196 119.499 119.300 0.006 0.000 2.719 2277 C HA 0.808 5.274 4.460 0.010 0.000 0.327 2277 C C 0.753 175.758 174.990 0.025 0.000 1.238 2277 C CA -0.644 58.379 59.018 0.007 0.000 1.727 2277 C CB 1.193 28.928 27.740 -0.009 0.000 2.256 2277 C HN 0.444 nan 8.230 nan 0.000 0.489 2278 V N 1.362 121.292 119.914 0.026 0.000 3.133 2278 V HA 0.449 4.575 4.120 0.010 0.000 0.305 2278 V C 0.027 176.132 176.094 0.018 0.000 1.084 2278 V CA 0.167 62.485 62.300 0.029 0.000 1.089 2278 V CB 0.483 32.322 31.823 0.028 0.000 1.073 2278 V HN 1.008 nan 8.190 nan 0.000 0.477 2279 D N 0.305 120.717 120.400 0.020 0.000 2.697 2279 D HA -0.169 4.477 4.640 0.010 0.000 0.238 2279 D C 0.629 176.924 176.300 -0.008 0.000 1.152 2279 D CA 0.785 54.791 54.000 0.011 0.000 0.666 2279 D CB -0.649 40.159 40.800 0.014 0.000 1.037 2279 D HN 0.567 nan 8.370 nan 0.000 0.423 2280 I N -0.703 119.847 120.570 -0.033 0.000 2.703 2280 I HA 0.056 4.232 4.170 0.010 0.000 0.259 2280 I C 1.321 177.323 176.117 -0.191 0.000 1.151 2280 I CA 0.645 61.897 61.300 -0.081 0.000 1.470 2280 I CB 0.146 38.107 38.000 -0.065 0.000 1.112 2280 I HN 0.093 nan 8.210 nan 0.000 0.437 2281 I N 2.338 122.792 120.570 -0.192 0.000 2.439 2281 I HA 0.247 4.423 4.170 0.010 0.000 0.283 2281 I C -0.766 175.218 176.117 -0.222 0.000 1.023 2281 I CA -0.279 60.799 61.300 -0.371 0.000 1.100 2281 I CB 1.896 39.589 38.000 -0.512 0.000 1.238 2281 I HN -0.179 nan 8.210 nan 0.000 0.445 2282 L N 4.208 125.430 121.223 -0.002 0.000 2.335 2282 L HA 0.585 4.931 4.340 0.010 0.000 0.268 2282 L C 1.639 178.222 176.870 -0.480 0.000 1.016 2282 L CA -0.325 54.405 54.840 -0.183 0.000 0.805 2282 L CB 0.577 42.512 42.059 -0.206 0.000 1.311 2282 L HN 0.599 nan 8.230 nan 0.000 0.456 2283 G N -0.060 108.222 108.800 -0.865 0.000 2.432 2283 G HA2 -0.237 3.729 3.960 0.010 0.000 0.219 2283 G HA3 -0.237 3.729 3.960 0.010 0.000 0.219 2283 G C 1.458 175.763 174.900 -0.991 0.000 1.135 2283 G CA 0.824 44.780 45.100 -1.907 0.000 0.767 2283 G HN 0.737 nan 8.290 nan 0.000 0.550 2284 R N -0.497 119.598 120.500 -0.675 0.000 2.241 2284 R HA -0.019 4.327 4.340 0.010 0.000 0.224 2284 R C 1.852 177.846 176.300 -0.510 0.000 1.101 2284 R CA 1.627 57.430 56.100 -0.495 0.000 0.995 2284 R CB -0.498 29.504 30.300 -0.496 0.000 0.870 2284 R HN 0.539 nan 8.270 nan 0.000 0.463 2285 H N -1.138 117.682 119.070 -0.416 0.000 2.361 2285 H HA 0.115 4.677 4.556 0.010 0.000 0.308 2285 H C 1.328 176.417 175.328 -0.399 0.000 1.053 2285 H CA 1.174 56.961 56.048 -0.436 0.000 1.377 2285 H CB -0.069 29.320 29.762 -0.622 0.000 1.434 2285 H HN 0.052 nan 8.280 nan 0.000 0.548 2286 F N 1.805 121.566 119.950 -0.314 0.000 2.184 2286 F HA -0.188 4.345 4.527 0.010 0.000 0.301 2286 F C 1.846 177.581 175.800 -0.109 0.000 1.076 2286 F CA 1.372 59.227 58.000 -0.242 0.000 1.295 2286 F CB -0.294 38.505 39.000 -0.335 0.000 1.026 2286 F HN 0.269 nan 8.300 nan 0.000 0.494 2287 E N -0.612 119.602 120.200 0.023 0.000 2.516 2287 E HA -0.114 4.242 4.350 0.010 0.000 0.199 2287 E C 1.506 178.122 176.600 0.025 0.000 1.069 2287 E CA 0.395 56.824 56.400 0.048 0.000 0.876 2287 E CB -0.098 29.615 29.700 0.023 0.000 0.843 2287 E HN 0.549 nan 8.360 nan 0.000 0.530 2288 Q N -0.710 119.111 119.800 0.036 0.000 2.185 2288 Q HA 0.211 4.557 4.340 0.010 0.000 0.234 2288 Q C 0.328 176.414 176.000 0.144 0.000 0.819 2288 Q CA -0.053 55.790 55.803 0.067 0.000 0.961 2288 Q CB 0.763 29.523 28.738 0.037 0.000 1.140 2288 Q HN 0.280 nan 8.270 nan 0.000 0.492 2289 M N 1.878 121.579 119.600 0.169 0.000 2.238 2289 M HA 0.105 4.591 4.480 0.010 0.000 0.347 2289 M C 0.278 176.764 176.300 0.310 0.000 1.173 2289 M CA 0.471 55.915 55.300 0.241 0.000 1.147 2289 M CB 0.611 33.343 32.600 0.221 0.000 1.547 2289 M HN -0.205 nan 8.290 nan 0.000 0.455 2290 K N 1.416 121.942 120.400 0.211 0.000 2.380 2290 K HA -0.003 4.323 4.320 0.010 0.000 0.267 2290 K C -0.433 176.147 176.600 -0.034 0.000 0.990 2290 K CA -0.269 56.050 56.287 0.053 0.000 0.946 2290 K CB 0.166 32.687 32.500 0.034 0.000 0.937 2290 K HN 0.536 nan 8.250 nan 0.000 0.491 2291 D N 1.352 121.543 120.400 -0.348 0.000 2.478 2291 D HA -0.103 4.543 4.640 0.010 0.000 0.234 2291 D C -0.080 176.204 176.300 -0.027 0.000 1.154 2291 D CA 0.766 54.619 54.000 -0.244 0.000 0.874 2291 D CB 0.284 40.890 40.800 -0.324 0.000 1.198 2291 D HN 0.499 nan 8.370 nan 0.000 0.455 2292 D N 0.535 120.965 120.400 0.050 0.000 2.811 2292 D HA -0.202 4.444 4.640 0.010 0.000 0.231 2292 D C -0.661 175.700 176.300 0.101 0.000 1.157 2292 D CA 0.992 55.037 54.000 0.076 0.000 0.716 2292 D CB -1.229 39.594 40.800 0.038 0.000 1.077 2292 D HN 0.537 nan 8.370 nan 0.000 0.428 2293 A N 0.119 123.031 122.820 0.153 0.000 2.498 2293 A HA 0.427 4.753 4.320 0.010 0.000 0.239 2293 A C 0.715 178.430 177.584 0.219 0.000 1.068 2293 A CA 0.073 52.232 52.037 0.204 0.000 0.766 2293 A CB 0.412 19.611 19.000 0.331 0.000 1.003 2293 A HN 0.327 nan 8.150 nan 0.000 0.497 2294 I N 2.629 123.311 120.570 0.187 0.000 2.315 2294 I HA 0.306 4.482 4.170 0.010 0.000 0.291 2294 I C -0.577 175.684 176.117 0.239 0.000 1.006 2294 I CA -0.299 61.104 61.300 0.172 0.000 1.265 2294 I CB 1.530 39.587 38.000 0.095 0.000 1.387 2294 I HN 0.283 nan 8.210 nan 0.000 0.475 2295 V N 6.324 126.389 119.914 0.252 0.000 2.448 2295 V HA 0.520 4.646 4.120 0.010 0.000 0.295 2295 V C -0.194 176.013 176.094 0.189 0.000 1.025 2295 V CA -0.486 61.971 62.300 0.260 0.000 0.859 2295 V CB 1.480 33.477 31.823 0.289 0.000 0.988 2295 V HN 0.994 nan 8.190 nan 0.000 0.431 2296 C N 2.911 122.304 119.300 0.155 0.000 3.241 2296 C HA 0.914 5.380 4.460 0.010 0.000 0.312 2296 C C -0.833 174.214 174.990 0.095 0.000 1.350 2296 C CA -0.977 58.110 59.018 0.114 0.000 1.415 2296 C CB 1.340 29.133 27.740 0.089 0.000 1.770 2296 C HN 0.922 nan 8.230 nan 0.000 0.466 2297 N N -0.011 118.737 118.700 0.079 0.000 2.295 2297 N HA 0.617 5.363 4.740 0.010 0.000 0.293 2297 N C -0.750 174.787 175.510 0.044 0.000 1.040 2297 N CA -0.722 52.365 53.050 0.062 0.000 0.840 2297 N CB 1.777 40.304 38.487 0.066 0.000 1.468 2297 N HN 0.901 nan 8.380 nan 0.000 0.478 2298 I N 1.681 122.272 120.570 0.036 0.000 4.082 2298 I HA 0.476 4.652 4.170 0.010 0.000 0.337 2298 I C 0.941 177.066 176.117 0.014 0.000 1.352 2298 I CA -0.369 60.945 61.300 0.023 0.000 1.097 2298 I CB -0.127 37.896 38.000 0.037 0.000 1.048 2298 I HN 0.703 nan 8.210 nan 0.000 0.393 2299 G N -0.697 108.115 108.800 0.021 0.000 2.683 2299 G HA2 -0.117 3.849 3.960 0.010 0.000 0.260 2299 G HA3 -0.117 3.849 3.960 0.010 0.000 0.260 2299 G C 0.458 175.355 174.900 -0.006 0.000 1.238 2299 G CA 0.201 45.318 45.100 0.028 0.000 0.934 2299 G HN 0.437 nan 8.290 nan 0.000 0.534 2300 H N -0.950 118.062 119.070 -0.096 0.000 2.363 2300 H HA 0.150 4.712 4.556 0.010 0.000 0.301 2300 H C 0.330 175.453 175.328 -0.342 0.000 1.074 2300 H CA 0.972 56.862 56.048 -0.262 0.000 1.354 2300 H CB -0.002 29.493 29.762 -0.445 0.000 1.397 2300 H HN 0.247 nan 8.280 nan 0.000 0.516 2301 F N 0.321 120.289 119.950 0.029 0.000 2.457 2301 F HA 0.163 4.696 4.527 0.010 0.000 0.330 2301 F C 0.751 176.542 175.800 -0.015 0.000 1.069 2301 F CA -0.979 57.011 58.000 -0.016 0.000 1.009 2301 F CB 0.770 39.811 39.000 0.069 0.000 1.276 2301 F HN 0.181 nan 8.300 nan 0.000 0.492 2302 D N 0.007 120.547 120.400 0.233 0.000 2.889 2302 D HA 0.070 4.716 4.640 0.010 0.000 0.243 2302 D C 0.347 176.713 176.300 0.110 0.000 1.270 2302 D CA 0.142 54.223 54.000 0.134 0.000 0.838 2302 D CB -0.454 40.410 40.800 0.107 0.000 1.040 2302 D HN 0.259 nan 8.370 nan 0.000 0.480 2303 V N -3.941 116.040 119.914 0.112 0.000 3.253 2303 V HA 0.268 4.394 4.120 0.010 0.000 0.320 2303 V C 1.431 177.568 176.094 0.072 0.000 1.442 2303 V CA -0.344 62.004 62.300 0.081 0.000 1.097 2303 V CB -0.104 31.753 31.823 0.057 0.000 1.008 2303 V HN 0.014 nan 8.190 nan 0.000 0.463 2304 E N 1.715 121.960 120.200 0.075 0.000 2.152 2304 E HA 0.144 4.500 4.350 0.010 0.000 0.192 2304 E C 0.352 176.971 176.600 0.032 0.000 0.983 2304 E CA 0.944 57.373 56.400 0.047 0.000 0.818 2304 E CB 0.259 29.986 29.700 0.045 0.000 0.758 2304 E HN 0.621 nan 8.360 nan 0.000 0.467 2305 I N 2.178 122.787 120.570 0.065 0.000 2.339 2305 I HA 0.078 4.254 4.170 0.010 0.000 0.290 2305 I C -0.156 176.051 176.117 0.149 0.000 0.994 2305 I CA -0.759 60.596 61.300 0.093 0.000 1.191 2305 I CB 1.336 39.425 38.000 0.149 0.000 1.343 2305 I HN -0.208 nan 8.210 nan 0.000 0.458 2306 D N 6.545 127.053 120.400 0.180 0.000 2.441 2306 D HA 0.053 4.699 4.640 0.010 0.000 0.243 2306 D C 0.946 177.395 176.300 0.249 0.000 1.257 2306 D CA 0.116 54.238 54.000 0.203 0.000 1.027 2306 D CB 0.867 41.785 40.800 0.197 0.000 1.084 2306 D HN 0.291 nan 8.370 nan 0.000 0.514 2307 V N 3.734 123.745 119.914 0.163 0.000 2.548 2307 V HA -0.220 3.906 4.120 0.010 0.000 0.249 2307 V C 2.147 178.271 176.094 0.050 0.000 1.055 2307 V CA 1.247 63.601 62.300 0.090 0.000 1.065 2307 V CB -0.346 31.539 31.823 0.104 0.000 0.681 2307 V HN 0.343 nan 8.190 nan 0.000 0.462 2308 K N -0.244 120.210 120.400 0.089 0.000 2.063 2308 K HA -0.219 4.107 4.320 0.010 0.000 0.208 2308 K C 1.679 178.306 176.600 0.045 0.000 1.048 2308 K CA 1.821 58.143 56.287 0.059 0.000 0.928 2308 K CB -0.682 31.860 32.500 0.069 0.000 0.713 2308 K HN 0.605 nan 8.250 nan 0.000 0.442 2309 W N 1.412 122.672 121.300 -0.066 0.000 2.315 2309 W HA -0.215 4.451 4.660 0.010 0.000 0.323 2309 W C 1.577 177.971 176.519 -0.208 0.000 1.233 2309 W CA 1.651 58.942 57.345 -0.089 0.000 1.267 2309 W CB -0.416 29.032 29.460 -0.022 0.000 1.160 2309 W HN -0.014 nan 8.180 nan 0.000 0.474 2310 L N 0.701 121.940 121.223 0.027 0.000 1.990 2310 L HA -0.354 3.992 4.340 0.010 0.000 0.213 2310 L C 2.353 178.931 176.870 -0.488 0.000 1.072 2310 L CA 1.918 56.485 54.840 -0.455 0.000 0.755 2310 L CB -1.117 40.376 42.059 -0.944 0.000 0.889 2310 L HN 0.084 nan 8.230 nan 0.000 0.432 2311 N N 0.151 118.685 118.700 -0.277 0.000 2.205 2311 N HA -0.207 4.539 4.740 0.010 0.000 0.186 2311 N C 1.452 176.880 175.510 -0.137 0.000 1.015 2311 N CA 1.575 54.573 53.050 -0.087 0.000 0.862 2311 N CB -0.096 38.391 38.487 -0.001 0.000 0.986 2311 N HN 0.601 nan 8.380 nan 0.000 0.429 2312 E N -1.660 118.397 120.200 -0.240 0.000 2.474 2312 E HA 0.157 4.513 4.350 0.010 0.000 0.195 2312 E C 0.299 176.645 176.600 -0.423 0.000 1.039 2312 E CA 0.143 56.386 56.400 -0.261 0.000 0.881 2312 E CB 0.206 29.783 29.700 -0.204 0.000 0.970 2312 E HN 0.203 nan 8.360 nan 0.000 0.486 2313 N N 0.545 118.863 118.700 -0.636 0.000 2.113 2313 N HA 0.153 4.899 4.740 0.010 0.000 0.223 2313 N C -0.332 174.859 175.510 -0.531 0.000 1.310 2313 N CA 0.145 52.721 53.050 -0.789 0.000 0.896 2313 N CB 1.493 38.949 38.487 -1.719 0.000 1.097 2313 N HN 0.115 nan 8.380 nan 0.000 0.507 2314 A N 0.820 123.424 122.820 -0.360 0.000 2.327 2314 A HA 0.397 4.723 4.320 0.010 0.000 0.283 2314 A C 1.535 179.082 177.584 -0.062 0.000 1.127 2314 A CA -0.366 51.584 52.037 -0.144 0.000 0.810 2314 A CB 0.818 19.827 19.000 0.016 0.000 1.066 2314 A HN -0.073 nan 8.150 nan 0.000 0.492 2315 V N 1.255 121.154 119.914 -0.026 0.000 2.469 2315 V HA -0.099 4.027 4.120 0.010 0.000 0.251 2315 V C 0.913 177.008 176.094 0.002 0.000 1.064 2315 V CA 2.333 64.624 62.300 -0.016 0.000 1.066 2315 V CB -1.548 30.275 31.823 -0.000 0.000 0.667 2315 V HN 1.021 nan 8.190 nan 0.000 0.461 2316 E N -1.029 119.190 120.200 0.032 0.000 2.388 2316 E HA 0.484 4.840 4.350 0.010 0.000 0.281 2316 E C -0.944 175.670 176.600 0.023 0.000 1.046 2316 E CA -0.968 55.443 56.400 0.019 0.000 0.825 2316 E CB 1.613 31.312 29.700 -0.002 0.000 1.243 2316 E HN 0.079 nan 8.360 nan 0.000 0.438 2317 K N 2.016 122.381 120.400 -0.058 0.000 2.463 2317 K HA 0.514 4.840 4.320 0.010 0.000 0.255 2317 K C -1.874 174.594 176.600 -0.220 0.000 0.942 2317 K CA -0.795 55.334 56.287 -0.264 0.000 0.814 2317 K CB 2.101 34.411 32.500 -0.317 0.000 1.122 2317 K HN 0.390 nan 8.250 nan 0.000 0.425 2318 V N 4.683 124.453 119.914 -0.239 0.000 2.444 2318 V HA 0.222 4.348 4.120 0.010 0.000 0.294 2318 V C -0.280 175.713 176.094 -0.167 0.000 1.022 2318 V CA -1.044 61.165 62.300 -0.152 0.000 0.850 2318 V CB 1.513 33.280 31.823 -0.093 0.000 0.992 2318 V HN 0.838 nan 8.190 nan 0.000 0.426 2319 N N 4.912 123.534 118.700 -0.131 0.000 2.411 2319 N HA 0.095 4.841 4.740 0.010 0.000 0.259 2319 N C 0.644 176.107 175.510 -0.078 0.000 1.103 2319 N CA -0.612 52.371 53.050 -0.113 0.000 0.954 2319 N CB 1.082 39.517 38.487 -0.087 0.000 1.085 2319 N HN 0.488 nan 8.380 nan 0.000 0.485 2320 I N 3.236 123.763 120.570 -0.073 0.000 2.163 2320 I HA -0.136 4.040 4.170 0.010 0.000 0.240 2320 I C 1.054 177.147 176.117 -0.040 0.000 1.081 2320 I CA 1.633 62.904 61.300 -0.049 0.000 1.353 2320 I CB -1.078 36.898 38.000 -0.040 0.000 1.054 2320 I HN 0.702 nan 8.210 nan 0.000 0.407 2321 K N -0.861 119.512 120.400 -0.046 0.000 2.617 2321 K HA 0.441 4.767 4.320 0.010 0.000 0.293 2321 K C -3.084 173.482 176.600 -0.055 0.000 1.034 2321 K CA -1.628 54.635 56.287 -0.039 0.000 0.884 2321 K CB 1.027 33.510 32.500 -0.029 0.000 1.541 2321 K HN -0.365 nan 8.250 nan 0.000 0.409 2322 P HA -0.062 nan 4.420 nan 0.000 0.261 2322 P C -0.922 176.296 177.300 -0.136 0.000 1.165 2322 P CA 0.806 63.855 63.100 -0.084 0.000 0.759 2322 P CB 0.248 31.917 31.700 -0.053 0.000 0.772 2323 Q N -0.939 118.727 119.800 -0.222 0.000 2.480 2323 Q HA -0.146 4.200 4.340 0.010 0.000 0.265 2323 Q C -0.842 175.075 176.000 -0.139 0.000 1.072 2323 Q CA 0.931 56.568 55.803 -0.277 0.000 1.018 2323 Q CB -2.020 26.505 28.738 -0.355 0.000 1.433 2323 Q HN 0.243 nan 8.270 nan 0.000 0.513 2324 V N 0.711 120.565 119.914 -0.099 0.000 2.532 2324 V HA 0.414 4.540 4.120 0.010 0.000 0.294 2324 V C -0.618 175.432 176.094 -0.073 0.000 1.036 2324 V CA -0.816 61.450 62.300 -0.058 0.000 0.876 2324 V CB 2.065 33.862 31.823 -0.043 0.000 1.012 2324 V HN 0.119 nan 8.190 nan 0.000 0.432 2325 D N 3.641 123.999 120.400 -0.071 0.000 2.498 2325 D HA 0.469 5.115 4.640 0.010 0.000 0.247 2325 D C -0.494 175.707 176.300 -0.166 0.000 1.070 2325 D CA -0.643 53.248 54.000 -0.183 0.000 0.842 2325 D CB 3.002 43.615 40.800 -0.312 0.000 1.361 2325 D HN 0.352 nan 8.370 nan 0.000 0.484 2326 R N 2.145 122.516 120.500 -0.214 0.000 2.310 2326 R HA 0.335 4.681 4.340 0.010 0.000 0.324 2326 R C -1.173 175.025 176.300 -0.170 0.000 0.955 2326 R CA -0.490 55.553 56.100 -0.094 0.000 0.830 2326 R CB 0.600 30.876 30.300 -0.040 0.000 1.154 2326 R HN 0.352 nan 8.270 nan 0.000 0.458 2327 Y N 3.108 123.414 120.300 0.011 0.000 2.387 2327 Y HA 0.343 4.899 4.550 0.010 0.000 0.330 2327 Y C -0.243 175.669 175.900 0.019 0.000 1.133 2327 Y CA -0.904 57.194 58.100 -0.003 0.000 1.152 2327 Y CB 1.504 39.944 38.460 -0.033 0.000 1.215 2327 Y HN 0.372 nan 8.280 nan 0.000 0.466 2328 L N 4.394 125.724 121.223 0.178 0.000 2.295 2328 L HA 0.456 4.802 4.340 0.010 0.000 0.281 2328 L C -1.034 175.899 176.870 0.106 0.000 1.018 2328 L CA -0.300 54.612 54.840 0.120 0.000 0.841 2328 L CB -0.122 41.979 42.059 0.070 0.000 1.218 2328 L HN 0.574 nan 8.230 nan 0.000 0.424 2329 L N 4.015 125.308 121.223 0.118 0.000 2.505 2329 L HA 0.292 4.638 4.340 0.010 0.000 0.226 2329 L C 1.416 178.316 176.870 0.049 0.000 1.211 2329 L CA -0.605 54.287 54.840 0.086 0.000 0.828 2329 L CB 0.194 42.336 42.059 0.138 0.000 1.331 2329 L HN 0.587 nan 8.230 nan 0.000 0.513 2330 K N 0.841 121.259 120.400 0.029 0.000 2.228 2330 K HA -0.062 4.264 4.320 0.010 0.000 0.202 2330 K C 1.308 177.910 176.600 0.005 0.000 1.051 2330 K CA 0.852 57.145 56.287 0.010 0.000 0.960 2330 K CB -0.284 32.215 32.500 -0.001 0.000 0.743 2330 K HN 0.600 nan 8.250 nan 0.000 0.458 2331 N N 0.293 118.984 118.700 -0.014 0.000 2.521 2331 N HA -0.033 4.713 4.740 0.010 0.000 0.188 2331 N C 1.161 176.645 175.510 -0.045 0.000 1.146 2331 N CA 1.070 54.075 53.050 -0.074 0.000 0.893 2331 N CB 0.297 38.666 38.487 -0.196 0.000 0.975 2331 N HN 0.273 nan 8.380 nan 0.000 0.451 2332 G N -0.867 107.955 108.800 0.036 0.000 2.279 2332 G HA2 -0.277 3.689 3.960 0.010 0.000 0.223 2332 G HA3 -0.277 3.689 3.960 0.010 0.000 0.223 2332 G C -0.066 174.966 174.900 0.220 0.000 1.015 2332 G CA 0.090 45.258 45.100 0.114 0.000 0.621 2332 G HN 0.625 nan 8.290 nan 0.000 0.506 2333 H N 0.768 119.884 119.070 0.077 0.000 2.836 2333 H HA 0.513 5.075 4.556 0.010 0.000 0.368 2333 H C 0.608 175.997 175.328 0.102 0.000 1.164 2333 H CA -0.114 55.987 56.048 0.089 0.000 1.425 2333 H CB 0.489 30.314 29.762 0.105 0.000 1.414 2333 H HN 0.190 nan 8.280 nan 0.000 0.614 2334 R N 1.167 121.799 120.500 0.221 0.000 2.664 2334 R HA 0.367 4.713 4.340 0.010 0.000 0.286 2334 R C -0.907 175.515 176.300 0.202 0.000 0.967 2334 R CA -0.616 55.591 56.100 0.179 0.000 0.933 2334 R CB 1.158 31.528 30.300 0.118 0.000 1.146 2334 R HN 0.434 nan 8.270 nan 0.000 0.468 2335 I N 4.008 124.717 120.570 0.232 0.000 2.448 2335 I HA 0.307 4.483 4.170 0.010 0.000 0.281 2335 I C -0.265 176.018 176.117 0.277 0.000 1.027 2335 I CA -0.698 60.758 61.300 0.260 0.000 1.111 2335 I CB 1.256 39.405 38.000 0.248 0.000 1.236 2335 I HN 0.578 nan 8.210 nan 0.000 0.452 2336 I N 6.271 126.968 120.570 0.212 0.000 2.421 2336 I HA 0.129 4.305 4.170 0.010 0.000 0.291 2336 I C 0.134 176.373 176.117 0.203 0.000 1.089 2336 I CA 0.133 61.534 61.300 0.169 0.000 1.354 2336 I CB 0.597 38.662 38.000 0.108 0.000 1.413 2336 I HN 0.292 nan 8.210 nan 0.000 0.513 2337 L N 7.945 129.306 121.223 0.230 0.000 2.307 2337 L HA 0.522 4.868 4.340 0.010 0.000 0.282 2337 L C -0.677 176.277 176.870 0.139 0.000 1.051 2337 L CA -0.711 54.269 54.840 0.233 0.000 0.804 2337 L CB 1.447 43.718 42.059 0.354 0.000 1.197 2337 L HN 0.519 nan 8.230 nan 0.000 0.431 2338 L N 5.111 126.405 121.223 0.118 0.000 2.296 2338 L HA 0.422 4.769 4.340 0.010 0.000 0.286 2338 L C 0.987 177.886 176.870 0.049 0.000 1.023 2338 L CA -0.413 54.464 54.840 0.062 0.000 0.812 2338 L CB 1.517 43.610 42.059 0.057 0.000 1.223 2338 L HN 0.890 nan 8.230 nan 0.000 0.421 2339 A N 2.755 125.561 122.820 -0.023 0.000 2.832 2339 A HA -0.235 4.091 4.320 0.010 0.000 0.280 2339 A C 0.779 178.406 177.584 0.071 0.000 1.464 2339 A CA 1.148 53.142 52.037 -0.072 0.000 0.804 2339 A CB -1.958 17.045 19.000 0.006 0.000 1.020 2339 A HN 1.004 nan 8.150 nan 0.000 0.563 2340 E N -3.699 116.556 120.200 0.091 0.000 2.297 2340 E HA -0.205 4.151 4.350 0.010 0.000 0.228 2340 E C 1.301 178.006 176.600 0.176 0.000 1.213 2340 E CA 1.040 57.540 56.400 0.167 0.000 0.712 2340 E CB -2.320 27.510 29.700 0.218 0.000 1.202 2340 E HN 2.537 nan 8.360 nan 0.000 0.376 2341 G N -0.337 108.556 108.800 0.155 0.000 2.205 2341 G HA2 -0.406 3.560 3.960 0.010 0.000 0.261 2341 G HA3 -0.406 3.560 3.960 0.010 0.000 0.261 2341 G C 0.565 175.541 174.900 0.126 0.000 0.980 2341 G CA 0.759 45.943 45.100 0.141 0.000 0.632 2341 G HN 0.357 nan 8.290 nan 0.000 0.533 2342 R N -0.688 119.904 120.500 0.152 0.000 2.652 2342 R HA 0.616 4.962 4.340 0.010 0.000 0.271 2342 R C 0.714 177.066 176.300 0.088 0.000 1.129 2342 R CA -0.737 55.447 56.100 0.139 0.000 1.200 2342 R CB -0.041 30.421 30.300 0.269 0.000 1.146 2342 R HN 0.117 nan 8.270 nan 0.000 0.581 2343 L N 1.315 122.560 121.223 0.036 0.000 2.660 2343 L HA -0.104 4.242 4.340 0.010 0.000 0.272 2343 L C 1.297 178.180 176.870 0.022 0.000 1.194 2343 L CA 0.805 55.640 54.840 -0.009 0.000 0.945 2343 L CB 0.394 42.400 42.059 -0.087 0.000 1.212 2343 L HN 0.513 nan 8.230 nan 0.000 0.490 2344 V N 4.624 124.553 119.914 0.024 0.000 2.379 2344 V HA -0.191 3.935 4.120 0.010 0.000 0.245 2344 V C 2.056 178.163 176.094 0.021 0.000 1.044 2344 V CA 1.777 64.096 62.300 0.031 0.000 1.036 2344 V CB -0.293 31.555 31.823 0.041 0.000 0.664 2344 V HN 1.134 nan 8.190 nan 0.000 0.453 2345 N N 0.503 119.212 118.700 0.014 0.000 2.166 2345 N HA -0.176 4.570 4.740 0.010 0.000 0.186 2345 N C 1.665 177.170 175.510 -0.008 0.000 1.019 2345 N CA 2.098 55.160 53.050 0.020 0.000 0.856 2345 N CB -0.699 37.812 38.487 0.040 0.000 0.993 2345 N HN 0.514 nan 8.380 nan 0.000 0.426 2346 L N -0.592 120.597 121.223 -0.057 0.000 2.354 2346 L HA 0.257 4.603 4.340 0.010 0.000 0.212 2346 L C 2.424 179.303 176.870 0.015 0.000 1.091 2346 L CA 0.670 55.465 54.840 -0.076 0.000 0.828 2346 L CB -0.191 41.715 42.059 -0.255 0.000 0.973 2346 L HN 0.317 nan 8.230 nan 0.000 0.461 2347 G N -1.436 107.389 108.800 0.043 0.000 2.426 2347 G HA2 -0.145 3.821 3.960 0.010 0.000 0.214 2347 G HA3 -0.145 3.821 3.960 0.010 0.000 0.214 2347 G C 1.312 176.226 174.900 0.024 0.000 1.156 2347 G CA 0.706 45.860 45.100 0.090 0.000 0.802 2347 G HN 0.401 nan 8.290 nan 0.000 0.534 2348 C N -0.008 119.299 119.300 0.012 0.000 2.912 2348 C HA 0.754 5.220 4.460 0.010 0.000 0.274 2348 C C 1.506 176.509 174.990 0.021 0.000 1.248 2348 C CA -0.080 58.939 59.018 0.001 0.000 1.694 2348 C CB -0.583 27.156 27.740 -0.002 0.000 2.024 2348 C HN 0.574 nan 8.230 nan 0.000 0.605 2349 A N 0.008 122.847 122.820 0.032 0.000 2.985 2349 A HA 0.775 5.101 4.320 0.010 0.000 0.248 2349 A C 0.211 177.825 177.584 0.051 0.000 1.195 2349 A CA -0.186 51.878 52.037 0.044 0.000 0.798 2349 A CB 0.307 19.337 19.000 0.050 0.000 1.376 2349 A HN 0.068 nan 8.150 nan 0.000 0.574 2350 M N 0.703 120.340 119.600 0.063 0.000 2.475 2350 M HA 0.293 4.779 4.480 0.010 0.000 0.283 2350 M C 0.880 177.214 176.300 0.057 0.000 1.165 2350 M CA 0.897 56.240 55.300 0.071 0.000 0.976 2350 M CB -0.808 31.848 32.600 0.094 0.000 1.428 2350 M HN 1.401 nan 8.290 nan 0.000 0.495 2351 G N 0.757 109.576 108.800 0.031 0.000 2.693 2351 G HA2 -0.203 3.763 3.960 0.010 0.000 0.226 2351 G HA3 -0.203 3.763 3.960 0.010 0.000 0.226 2351 G C -0.512 174.453 174.900 0.108 0.000 1.354 2351 G CA -0.607 44.488 45.100 -0.008 0.000 0.873 2351 G HN 0.502 nan 8.290 nan 0.000 0.562 2352 H N 1.249 120.322 119.070 0.004 0.000 2.836 2352 H HA 0.420 4.982 4.556 0.010 0.000 0.368 2352 H C -1.506 173.834 175.328 0.021 0.000 1.164 2352 H CA -0.304 55.752 56.048 0.014 0.000 1.425 2352 H CB -0.166 29.590 29.762 -0.010 0.000 1.414 2352 H HN 0.427 nan 8.280 nan 0.000 0.614 2353 P HA 0.122 nan 4.420 nan 0.000 0.276 2353 P C 0.602 177.965 177.300 0.106 0.000 1.244 2353 P CA -0.294 62.878 63.100 0.120 0.000 0.801 2353 P CB 0.815 32.581 31.700 0.109 0.000 1.006 2354 S N 0.708 116.470 115.700 0.102 0.000 2.392 2354 S HA -0.253 4.223 4.470 0.010 0.000 0.225 2354 S C 1.558 176.215 174.600 0.096 0.000 1.041 2354 S CA 1.510 59.761 58.200 0.085 0.000 1.100 2354 S CB -1.401 61.864 63.200 0.108 0.000 1.029 2354 S HN 0.532 nan 8.310 nan 0.000 0.424 2355 F N 1.505 121.467 119.950 0.020 0.000 2.141 2355 F HA -0.209 4.324 4.527 0.010 0.000 0.300 2355 F C 2.357 178.151 175.800 -0.010 0.000 1.079 2355 F CA 1.388 59.407 58.000 0.032 0.000 1.264 2355 F CB -0.459 38.562 39.000 0.034 0.000 1.011 2355 F HN 0.052 nan 8.300 nan 0.000 0.487 2356 V N -0.355 119.594 119.914 0.058 0.000 2.488 2356 V HA -0.220 3.906 4.120 0.010 0.000 0.246 2356 V C 2.202 178.200 176.094 -0.160 0.000 1.046 2356 V CA 1.403 63.679 62.300 -0.040 0.000 1.053 2356 V CB -0.089 31.771 31.823 0.062 0.000 0.679 2356 V HN 0.255 nan 8.190 nan 0.000 0.458 2357 M N -0.008 119.484 119.600 -0.180 0.000 2.279 2357 M HA -0.086 4.400 4.480 0.010 0.000 0.264 2357 M C 2.461 178.458 176.300 -0.505 0.000 1.062 2357 M CA 1.973 56.999 55.300 -0.456 0.000 1.099 2357 M CB -1.630 30.643 32.600 -0.544 0.000 1.394 2357 M HN 0.525 nan 8.290 nan 0.000 0.426 2358 S N 0.296 115.833 115.700 -0.272 0.000 2.399 2358 S HA -0.159 4.317 4.470 0.010 0.000 0.231 2358 S C 1.730 176.268 174.600 -0.103 0.000 1.022 2358 S CA 1.786 59.923 58.200 -0.105 0.000 0.983 2358 S CB -0.164 63.021 63.200 -0.026 0.000 0.803 2358 S HN 0.507 nan 8.310 nan 0.000 0.480 2359 N N 1.123 119.608 118.700 -0.358 0.000 2.080 2359 N HA -0.006 4.740 4.740 0.010 0.000 0.189 2359 N C 2.007 177.431 175.510 -0.144 0.000 1.036 2359 N CA 1.819 54.623 53.050 -0.409 0.000 0.846 2359 N CB -0.386 37.772 38.487 -0.548 0.000 1.015 2359 N HN 0.405 nan 8.380 nan 0.000 0.423 2360 S N 0.115 115.749 115.700 -0.110 0.000 2.368 2360 S HA -0.047 4.429 4.470 0.010 0.000 0.225 2360 S C 1.456 176.198 174.600 0.236 0.000 1.030 2360 S CA 0.801 59.021 58.200 0.034 0.000 0.999 2360 S CB -0.387 62.817 63.200 0.008 0.000 0.844 2360 S HN 0.237 nan 8.310 nan 0.000 0.459 2361 F N 2.285 122.246 119.950 0.019 0.000 2.407 2361 F HA 0.029 4.562 4.527 0.010 0.000 0.299 2361 F C 2.627 178.438 175.800 0.018 0.000 1.097 2361 F CA 0.226 58.241 58.000 0.025 0.000 1.422 2361 F CB -1.845 37.166 39.000 0.019 0.000 1.067 2361 F HN 0.163 nan 8.300 nan 0.000 0.539 2362 T N -0.236 114.441 114.554 0.205 0.000 2.737 2362 T HA -0.148 4.208 4.350 0.010 0.000 0.265 2362 T C 1.969 176.726 174.700 0.095 0.000 1.038 2362 T CA 1.169 63.347 62.100 0.130 0.000 1.144 2362 T CB -0.262 68.682 68.868 0.126 0.000 0.866 2362 T HN 0.232 nan 8.240 nan 0.000 0.434 2363 N N 0.803 119.555 118.700 0.087 0.000 2.149 2363 N HA -0.137 4.609 4.740 0.010 0.000 0.188 2363 N C 2.056 177.605 175.510 0.065 0.000 1.019 2363 N CA 1.101 54.192 53.050 0.067 0.000 0.857 2363 N CB -0.164 38.363 38.487 0.067 0.000 0.997 2363 N HN 0.314 nan 8.380 nan 0.000 0.426 2364 Q N 0.757 120.615 119.800 0.098 0.000 2.119 2364 Q HA -0.010 4.336 4.340 0.010 0.000 0.201 2364 Q C 1.976 177.984 176.000 0.013 0.000 0.972 2364 Q CA 0.871 56.711 55.803 0.062 0.000 0.847 2364 Q CB 0.057 28.847 28.738 0.086 0.000 0.903 2364 Q HN 0.122 nan 8.270 nan 0.000 0.433 2365 V N -0.098 119.828 119.914 0.020 0.000 2.488 2365 V HA -0.216 3.910 4.120 0.010 0.000 0.246 2365 V C 2.123 178.193 176.094 -0.041 0.000 1.046 2365 V CA 1.636 63.928 62.300 -0.013 0.000 1.053 2365 V CB -0.524 31.304 31.823 0.009 0.000 0.679 2365 V HN 0.408 nan 8.190 nan 0.000 0.458 2366 M N 0.316 119.904 119.600 -0.020 0.000 2.108 2366 M HA -0.166 4.320 4.480 0.010 0.000 0.261 2366 M C 2.450 178.705 176.300 -0.075 0.000 1.066 2366 M CA 2.223 57.495 55.300 -0.045 0.000 1.107 2366 M CB -0.669 31.931 32.600 0.001 0.000 1.356 2366 M HN 0.397 nan 8.290 nan 0.000 0.406 2367 A N -0.019 122.765 122.820 -0.060 0.000 1.902 2367 A HA -0.186 4.140 4.320 0.010 0.000 0.217 2367 A C 2.135 179.635 177.584 -0.140 0.000 1.181 2367 A CA 1.380 53.352 52.037 -0.107 0.000 0.623 2367 A CB -0.626 18.329 19.000 -0.075 0.000 0.818 2367 A HN 0.469 nan 8.150 nan 0.000 0.443 2368 Q N -0.368 119.374 119.800 -0.096 0.000 2.124 2368 Q HA -0.112 4.234 4.340 0.010 0.000 0.202 2368 Q C 2.107 178.070 176.000 -0.062 0.000 0.977 2368 Q CA 1.420 57.173 55.803 -0.083 0.000 0.850 2368 Q CB -0.409 28.279 28.738 -0.082 0.000 0.901 2368 Q HN 0.794 nan 8.270 nan 0.000 0.429 2369 I N 0.803 121.312 120.570 -0.103 0.000 2.394 2369 I HA -0.210 3.966 4.170 0.010 0.000 0.251 2369 I C 2.169 178.167 176.117 -0.199 0.000 1.136 2369 I CA 0.774 61.998 61.300 -0.126 0.000 1.425 2369 I CB -0.093 37.771 38.000 -0.226 0.000 1.079 2369 I HN 0.107 nan 8.210 nan 0.000 0.425 2370 E N 0.456 120.523 120.200 -0.221 0.000 2.046 2370 E HA -0.132 4.224 4.350 0.010 0.000 0.190 2370 E C 2.242 178.734 176.600 -0.181 0.000 0.982 2370 E CA 1.009 57.261 56.400 -0.245 0.000 0.800 2370 E CB -0.195 29.384 29.700 -0.201 0.000 0.756 2370 E HN 0.257 nan 8.360 nan 0.000 0.449 2371 L N 0.253 121.320 121.223 -0.260 0.000 2.046 2371 L HA -0.132 4.214 4.340 0.010 0.000 0.208 2371 L C 2.075 178.988 176.870 0.071 0.000 1.077 2371 L CA 1.382 56.134 54.840 -0.146 0.000 0.747 2371 L CB -1.151 40.821 42.059 -0.146 0.000 0.896 2371 L HN 0.390 nan 8.230 nan 0.000 0.432 2372 W N -0.443 120.789 121.300 -0.113 0.000 2.905 2372 W HA -0.071 4.595 4.660 0.010 0.000 0.251 2372 W C 0.877 177.375 176.519 -0.035 0.000 1.305 2372 W CA 1.198 58.500 57.345 -0.071 0.000 1.465 2372 W CB 0.356 29.763 29.460 -0.088 0.000 1.122 2372 W HN 0.170 nan 8.180 nan 0.000 0.659 2373 T N -1.492 113.046 114.554 -0.026 0.000 2.964 2373 T HA 0.046 4.402 4.350 0.010 0.000 0.250 2373 T C -0.212 174.684 174.700 0.326 0.000 0.982 2373 T CA 0.462 62.562 62.100 -0.001 0.000 0.959 2373 T CB 0.036 68.900 68.868 -0.007 0.000 1.141 2373 T HN -0.064 nan 8.240 nan 0.000 0.494 2374 H N 0.689 119.778 119.070 0.032 0.000 2.528 2374 H HA 0.319 4.881 4.556 0.010 0.000 0.256 2374 H C -1.923 173.467 175.328 0.104 0.000 1.204 2374 H CA -3.051 53.030 56.048 0.055 0.000 0.955 2374 H CB -0.182 29.638 29.762 0.097 0.000 1.817 2374 H HN 0.149 nan 8.280 nan 0.000 0.579 2375 P HA -0.222 nan 4.420 nan 0.000 0.219 2375 P C 1.115 178.470 177.300 0.091 0.000 1.151 2375 P CA 1.332 64.506 63.100 0.123 0.000 0.850 2375 P CB 0.640 32.346 31.700 0.010 0.000 0.784 2376 D N 0.278 120.695 120.400 0.028 0.000 2.123 2376 D HA -0.148 4.498 4.640 0.010 0.000 0.196 2376 D C 1.727 177.962 176.300 -0.108 0.000 0.992 2376 D CA 1.208 55.187 54.000 -0.035 0.000 0.833 2376 D CB -0.296 40.469 40.800 -0.058 0.000 0.954 2376 D HN 0.385 nan 8.370 nan 0.000 0.455 2377 K N -0.220 120.058 120.400 -0.203 0.000 2.515 2377 K HA -0.094 4.232 4.320 0.010 0.000 0.196 2377 K C 0.075 176.147 176.600 -0.880 0.000 1.038 2377 K CA 0.540 56.512 56.287 -0.524 0.000 0.967 2377 K CB -0.042 32.056 32.500 -0.669 0.000 0.780 2377 K HN 0.268 nan 8.250 nan 0.000 0.483 2378 Y N 2.018 122.205 120.300 -0.188 0.000 2.749 2378 Y HA 0.276 4.832 4.550 0.010 0.000 0.343 2378 Y C -2.415 173.466 175.900 -0.031 0.000 1.015 2378 Y CA -2.846 55.060 58.100 -0.323 0.000 1.270 2378 Y CB 0.941 39.286 38.460 -0.193 0.000 1.097 2378 Y HN -0.018 nan 8.280 nan 0.000 0.571 2379 P HA 0.115 nan 4.420 nan 0.000 0.278 2379 P C 0.030 177.496 177.300 0.277 0.000 1.258 2379 P CA -0.346 62.862 63.100 0.180 0.000 0.811 2379 P CB 1.671 33.447 31.700 0.126 0.000 1.063 2380 V N 1.166 121.175 119.914 0.158 0.000 2.583 2380 V HA 0.326 4.452 4.120 0.010 0.000 0.302 2380 V C 1.268 177.403 176.094 0.070 0.000 1.033 2380 V CA 2.221 64.588 62.300 0.112 0.000 1.194 2380 V CB -0.822 31.043 31.823 0.069 0.000 0.879 2380 V HN 1.130 nan 8.190 nan 0.000 0.482 2381 G N 3.749 112.536 108.800 -0.022 0.000 2.351 2381 G HA2 0.321 4.287 3.960 0.010 0.000 0.279 2381 G HA3 0.321 4.287 3.960 0.010 0.000 0.279 2381 G C -1.288 173.379 174.900 -0.389 0.000 1.297 2381 G CA 0.002 44.997 45.100 -0.175 0.000 0.886 2381 G HN 1.300 nan 8.290 nan 0.000 0.493 2382 V N 0.955 120.561 119.914 -0.512 0.000 2.443 2382 V HA 0.817 4.943 4.120 0.010 0.000 0.293 2382 V C -0.699 175.048 176.094 -0.577 0.000 1.021 2382 V CA -0.531 61.450 62.300 -0.531 0.000 0.848 2382 V CB 0.671 32.178 31.823 -0.527 0.000 0.998 2382 V HN 0.994 nan 8.190 nan 0.000 0.424 2383 H N 5.454 124.486 119.070 -0.064 0.000 2.651 2383 H HA 0.715 5.277 4.556 0.010 0.000 0.353 2383 H C -0.935 174.354 175.328 -0.065 0.000 1.178 2383 H CA -0.700 55.349 56.048 0.002 0.000 1.224 2383 H CB 1.222 31.132 29.762 0.247 0.000 1.702 2383 H HN 0.590 nan 8.280 nan 0.000 0.550 2384 F N 0.206 120.334 119.950 0.297 0.000 2.380 2384 F HA 0.255 4.789 4.527 0.011 0.000 0.321 2384 F C 0.159 176.086 175.800 0.212 0.000 1.103 2384 F CA -0.838 57.287 58.000 0.208 0.000 1.067 2384 F CB 0.757 39.866 39.000 0.182 0.000 1.265 2384 F HN 0.280 nan 8.300 nan 0.000 0.517 2385 L N 3.767 125.215 121.223 0.375 0.000 2.350 2385 L HA 0.464 4.810 4.340 0.010 0.000 0.275 2385 L C -2.271 174.733 176.870 0.222 0.000 1.099 2385 L CA -1.642 53.346 54.840 0.247 0.000 0.808 2385 L CB 0.386 42.539 42.059 0.156 0.000 1.149 2385 L HN 0.317 nan 8.230 nan 0.000 0.442 2386 P HA -0.066 nan 4.420 nan 0.000 0.260 2386 P C 0.051 177.407 177.300 0.094 0.000 1.172 2386 P CA 0.301 63.484 63.100 0.138 0.000 0.760 2386 P CB 0.392 32.166 31.700 0.123 0.000 0.773 2387 K N 4.258 124.703 120.400 0.074 0.000 2.127 2387 K HA -0.256 4.070 4.320 0.010 0.000 0.208 2387 K C 1.618 178.237 176.600 0.031 0.000 1.047 2387 K CA 1.554 57.868 56.287 0.044 0.000 0.927 2387 K CB -0.005 32.517 32.500 0.036 0.000 0.716 2387 K HN 0.277 nan 8.250 nan 0.000 0.450 2388 K N 0.449 120.868 120.400 0.032 0.000 2.026 2388 K HA -0.130 4.196 4.320 0.010 0.000 0.208 2388 K C 2.160 178.778 176.600 0.030 0.000 1.048 2388 K CA 1.465 57.765 56.287 0.021 0.000 0.929 2388 K CB -0.179 32.335 32.500 0.023 0.000 0.713 2388 K HN 0.248 nan 8.250 nan 0.000 0.439 2389 L N 0.918 122.169 121.223 0.048 0.000 2.083 2389 L HA -0.213 4.133 4.340 0.010 0.000 0.209 2389 L C 2.342 179.233 176.870 0.035 0.000 1.083 2389 L CA 1.101 55.971 54.840 0.050 0.000 0.752 2389 L CB -0.547 41.550 42.059 0.064 0.000 0.899 2389 L HN 0.280 nan 8.230 nan 0.000 0.433 2390 D N 0.738 121.157 120.400 0.030 0.000 2.077 2390 D HA -0.208 4.438 4.640 0.010 0.000 0.193 2390 D C 1.861 178.143 176.300 -0.030 0.000 0.989 2390 D CA 1.377 55.379 54.000 0.002 0.000 0.831 2390 D CB 0.031 40.833 40.800 0.004 0.000 0.979 2390 D HN 0.354 nan 8.370 nan 0.000 0.449 2391 E N 0.057 120.243 120.200 -0.023 0.000 2.455 2391 E HA -0.119 4.237 4.350 0.010 0.000 0.202 2391 E C 1.720 178.314 176.600 -0.010 0.000 1.045 2391 E CA 0.631 57.015 56.400 -0.026 0.000 0.872 2391 E CB -0.036 29.663 29.700 -0.002 0.000 0.792 2391 E HN 0.275 nan 8.360 nan 0.000 0.542 2392 A N 0.833 123.655 122.820 0.002 0.000 2.030 2392 A HA -0.002 4.324 4.320 0.010 0.000 0.215 2392 A C 2.400 179.998 177.584 0.024 0.000 1.164 2392 A CA 0.295 52.343 52.037 0.019 0.000 0.697 2392 A CB -0.039 18.982 19.000 0.035 0.000 0.827 2392 A HN 0.114 nan 8.150 nan 0.000 0.457 2393 V N 0.052 119.971 119.914 0.009 0.000 2.283 2393 V HA -0.175 3.951 4.120 0.010 0.000 0.243 2393 V C 2.997 179.132 176.094 0.068 0.000 1.039 2393 V CA 1.746 64.069 62.300 0.038 0.000 1.016 2393 V CB -1.548 30.238 31.823 -0.060 0.000 0.650 2393 V HN 0.525 nan 8.190 nan 0.000 0.449 2394 A N -0.124 122.635 122.820 -0.101 0.000 1.859 2394 A HA -0.296 4.030 4.320 0.010 0.000 0.217 2394 A C 2.308 179.907 177.584 0.025 0.000 1.198 2394 A CA 2.102 54.053 52.037 -0.144 0.000 0.629 2394 A CB -0.739 18.155 19.000 -0.177 0.000 0.830 2394 A HN 0.495 nan 8.150 nan 0.000 0.446 2395 E N 0.052 120.268 120.200 0.026 0.000 2.147 2395 E HA -0.217 4.139 4.350 0.010 0.000 0.199 2395 E C 1.965 178.588 176.600 0.039 0.000 1.005 2395 E CA 1.402 57.827 56.400 0.041 0.000 0.810 2395 E CB -0.350 29.368 29.700 0.031 0.000 0.736 2395 E HN 0.511 nan 8.360 nan 0.000 0.460 2396 A N -0.500 122.335 122.820 0.026 0.000 2.235 2396 A HA -0.080 4.246 4.320 0.010 0.000 0.208 2396 A C 0.827 178.266 177.584 -0.243 0.000 1.172 2396 A CA 0.695 52.675 52.037 -0.093 0.000 0.786 2396 A CB -0.436 18.476 19.000 -0.148 0.000 0.804 2396 A HN 0.232 nan 8.150 nan 0.000 0.479 2397 H N -2.435 116.617 119.070 -0.031 0.000 3.058 2397 H HA 0.268 4.830 4.556 0.010 0.000 0.266 2397 H C 1.211 176.629 175.328 0.150 0.000 1.135 2397 H CA -0.222 55.842 56.048 0.027 0.000 1.174 2397 H CB 0.420 30.098 29.762 -0.140 0.000 1.581 2397 H HN 0.288 nan 8.280 nan 0.000 0.553 2398 L N 0.217 121.542 121.223 0.170 0.000 2.093 2398 L HA 0.016 4.362 4.340 0.010 0.000 0.208 2398 L C 2.509 179.439 176.870 0.100 0.000 1.085 2398 L CA 1.850 56.770 54.840 0.133 0.000 0.755 2398 L CB -0.914 41.198 42.059 0.088 0.000 0.904 2398 L HN 0.437 nan 8.230 nan 0.000 0.435 2399 G N -0.889 107.954 108.800 0.073 0.000 2.418 2399 G HA2 -0.336 3.630 3.960 0.010 0.000 0.217 2399 G HA3 -0.336 3.630 3.960 0.010 0.000 0.217 2399 G C 1.733 176.666 174.900 0.054 0.000 1.158 2399 G CA 0.935 46.063 45.100 0.048 0.000 0.771 2399 G HN 0.375 nan 8.290 nan 0.000 0.545 2400 K N 0.223 120.679 120.400 0.094 0.000 2.147 2400 K HA 0.076 4.402 4.320 0.010 0.000 0.205 2400 K C 1.954 178.566 176.600 0.019 0.000 1.049 2400 K CA 0.838 57.178 56.287 0.088 0.000 0.936 2400 K CB -0.308 32.323 32.500 0.218 0.000 0.722 2400 K HN 0.339 nan 8.250 nan 0.000 0.446 2401 L N 0.804 122.049 121.223 0.036 0.000 2.629 2401 L HA 0.107 4.453 4.340 0.010 0.000 0.230 2401 L C 0.376 177.241 176.870 -0.009 0.000 1.151 2401 L CA -0.235 54.586 54.840 -0.032 0.000 0.924 2401 L CB -0.507 41.547 42.059 -0.008 0.000 1.137 2401 L HN 0.372 nan 8.230 nan 0.000 0.457 2402 N N 0.979 119.684 118.700 0.008 0.000 2.725 2402 N HA -0.168 4.578 4.740 0.010 0.000 0.249 2402 N C -0.328 175.190 175.510 0.014 0.000 1.103 2402 N CA 0.281 53.335 53.050 0.007 0.000 0.707 2402 N CB -0.739 37.743 38.487 -0.008 0.000 1.043 2402 N HN 0.078 nan 8.380 nan 0.000 0.553 2403 V N 1.326 121.258 119.914 0.031 0.000 2.530 2403 V HA 0.143 4.269 4.120 0.010 0.000 0.282 2403 V C 0.839 176.954 176.094 0.034 0.000 1.048 2403 V CA 0.092 62.413 62.300 0.036 0.000 0.997 2403 V CB 1.377 33.235 31.823 0.059 0.000 0.987 2403 V HN 0.045 nan 8.190 nan 0.000 0.477 2404 K N 5.169 125.585 120.400 0.027 0.000 2.347 2404 K HA 0.409 4.735 4.320 0.010 0.000 0.262 2404 K C -0.809 175.807 176.600 0.027 0.000 1.052 2404 K CA -0.806 55.496 56.287 0.024 0.000 0.946 2404 K CB 1.227 33.736 32.500 0.016 0.000 1.220 2404 K HN 0.322 nan 8.250 nan 0.000 0.450 2405 L N 1.809 123.052 121.223 0.034 0.000 2.473 2405 L HA 0.162 4.508 4.340 0.010 0.000 0.268 2405 L C 0.646 177.532 176.870 0.026 0.000 1.215 2405 L CA 0.677 55.539 54.840 0.036 0.000 0.823 2405 L CB 0.816 42.905 42.059 0.050 0.000 1.099 2405 L HN 0.561 nan 8.230 nan 0.000 0.483 2406 T N 2.896 117.460 114.554 0.018 0.000 2.927 2406 T HA 0.420 4.776 4.350 0.010 0.000 0.281 2406 T C -0.154 174.555 174.700 0.016 0.000 0.998 2406 T CA -0.727 61.378 62.100 0.008 0.000 1.019 2406 T CB 1.198 70.060 68.868 -0.010 0.000 1.061 2406 T HN 0.272 nan 8.240 nan 0.000 0.518 2407 K N 1.751 122.161 120.400 0.016 0.000 2.426 2407 K HA 0.412 4.738 4.320 0.010 0.000 0.254 2407 K C -0.976 175.638 176.600 0.023 0.000 0.936 2407 K CA -0.787 55.520 56.287 0.034 0.000 0.801 2407 K CB 1.882 34.405 32.500 0.039 0.000 1.139 2407 K HN 0.236 nan 8.250 nan 0.000 0.424 2408 L N 1.855 123.099 121.223 0.035 0.000 2.476 2408 L HA 0.169 4.515 4.340 0.010 0.000 0.264 2408 L C 1.091 177.985 176.870 0.041 0.000 1.224 2408 L CA 0.539 55.396 54.840 0.028 0.000 0.821 2408 L CB 0.434 42.526 42.059 0.055 0.000 1.101 2408 L HN 0.746 nan 8.230 nan 0.000 0.488 2409 T N -2.520 112.054 114.554 0.033 0.000 2.944 2409 T HA 0.285 4.641 4.350 0.010 0.000 0.284 2409 T C 0.893 175.621 174.700 0.047 0.000 1.010 2409 T CA -0.734 61.386 62.100 0.032 0.000 1.025 2409 T CB 1.286 70.164 68.868 0.017 0.000 1.079 2409 T HN 0.476 nan 8.240 nan 0.000 0.516 2410 E N 0.682 120.908 120.200 0.043 0.000 2.114 2410 E HA -0.214 4.142 4.350 0.010 0.000 0.199 2410 E C 1.906 178.540 176.600 0.056 0.000 1.008 2410 E CA 1.620 58.049 56.400 0.049 0.000 0.810 2410 E CB -0.262 29.461 29.700 0.037 0.000 0.739 2410 E HN 0.845 nan 8.360 nan 0.000 0.456 2411 K N 0.476 120.904 120.400 0.047 0.000 2.032 2411 K HA -0.207 4.119 4.320 0.010 0.000 0.209 2411 K C 2.175 178.825 176.600 0.083 0.000 1.048 2411 K CA 1.876 58.196 56.287 0.054 0.000 0.927 2411 K CB -0.025 32.491 32.500 0.027 0.000 0.712 2411 K HN 0.114 nan 8.250 nan 0.000 0.441 2412 Q N -0.163 119.676 119.800 0.065 0.000 1.994 2412 Q HA -0.067 4.279 4.340 0.010 0.000 0.198 2412 Q C 2.329 178.411 176.000 0.137 0.000 0.976 2412 Q CA 1.247 57.102 55.803 0.088 0.000 0.828 2412 Q CB -0.311 28.447 28.738 0.032 0.000 0.894 2412 Q HN 0.453 nan 8.270 nan 0.000 0.432 2413 A N 1.081 123.969 122.820 0.114 0.000 2.009 2413 A HA -0.342 3.984 4.320 0.010 0.000 0.222 2413 A C 2.009 179.669 177.584 0.126 0.000 1.175 2413 A CA 2.073 54.193 52.037 0.139 0.000 0.651 2413 A CB -0.571 18.506 19.000 0.127 0.000 0.815 2413 A HN 0.352 nan 8.150 nan 0.000 0.459 2414 Q N -2.265 117.604 119.800 0.116 0.000 1.969 2414 Q HA -0.118 4.228 4.340 0.010 0.000 0.198 2414 Q C 1.919 177.987 176.000 0.113 0.000 0.978 2414 Q CA 1.729 57.591 55.803 0.098 0.000 0.830 2414 Q CB -0.439 28.354 28.738 0.091 0.000 0.896 2414 Q HN 0.703 nan 8.270 nan 0.000 0.431 2415 Y N 0.837 121.153 120.300 0.026 0.000 2.038 2415 Y HA -0.373 4.178 4.550 0.003 0.000 0.266 2415 Y C 1.714 177.630 175.900 0.026 0.000 1.220 2415 Y CA 2.203 60.316 58.100 0.021 0.000 1.107 2415 Y CB -0.365 38.103 38.460 0.013 0.000 0.932 2415 Y HN 0.120 nan 8.280 nan 0.000 0.500 2416 L N -1.960 119.330 121.223 0.111 0.000 2.072 2416 L HA 0.024 4.370 4.340 0.010 0.000 0.205 2416 L C 2.146 179.025 176.870 0.015 0.000 1.079 2416 L CA 1.114 55.979 54.840 0.041 0.000 0.752 2416 L CB -0.775 41.352 42.059 0.113 0.000 0.906 2416 L HN 0.524 nan 8.230 nan 0.000 0.436 2417 G N -1.178 107.654 108.800 0.053 0.000 2.168 2417 G HA2 -0.180 3.786 3.960 0.010 0.000 0.197 2417 G HA3 -0.180 3.786 3.960 0.010 0.000 0.197 2417 G C 0.274 175.218 174.900 0.074 0.000 0.997 2417 G CA -0.056 45.070 45.100 0.042 0.000 0.658 2417 G HN 0.082 nan 8.290 nan 0.000 0.513 2418 M N 0.158 119.841 119.600 0.138 0.000 2.369 2418 M HA 0.520 5.006 4.480 0.010 0.000 0.291 2418 M C -2.645 173.746 176.300 0.151 0.000 1.178 2418 M CA -2.163 53.249 55.300 0.187 0.000 0.996 2418 M CB 0.034 32.922 32.600 0.480 0.000 1.472 2418 M HN -0.034 nan 8.290 nan 0.000 0.496 2419 P HA 0.297 nan 4.420 nan 0.000 0.293 2419 P C 0.688 178.054 177.300 0.110 0.000 1.313 2419 P CA -0.368 62.737 63.100 0.010 0.000 0.787 2419 P CB 0.698 32.334 31.700 -0.107 0.000 0.910 2420 I N 3.549 124.209 120.570 0.149 0.000 2.227 2420 I HA -0.368 3.808 4.170 0.010 0.000 0.250 2420 I C 0.785 177.017 176.117 0.192 0.000 1.087 2420 I CA 2.197 63.609 61.300 0.187 0.000 1.352 2420 I CB -0.150 37.913 38.000 0.105 0.000 1.043 2420 I HN 0.291 nan 8.210 nan 0.000 0.425 2421 N N -0.434 118.316 118.700 0.083 0.000 2.227 2421 N HA 0.233 4.979 4.740 0.010 0.000 0.196 2421 N C 0.485 175.949 175.510 -0.078 0.000 1.142 2421 N CA 0.594 53.669 53.050 0.042 0.000 0.887 2421 N CB 0.414 38.914 38.487 0.021 0.000 1.022 2421 N HN 0.382 nan 8.380 nan 0.000 0.500 2422 G N 0.597 109.277 108.800 -0.200 0.000 2.557 2422 G HA2 0.491 4.457 3.960 0.010 0.000 0.302 2422 G HA3 0.491 4.457 3.960 0.010 0.000 0.302 2422 G C -2.699 171.654 174.900 -0.911 0.000 1.311 2422 G CA -1.211 43.671 45.100 -0.365 0.000 1.030 2422 G HN -0.114 nan 8.290 nan 0.000 0.509 2423 P HA 0.286 nan 4.420 nan 0.000 0.272 2423 P C -0.609 176.183 177.300 -0.846 0.000 1.223 2423 P CA -0.062 62.543 63.100 -0.826 0.000 0.784 2423 P CB 0.421 31.934 31.700 -0.311 0.000 0.923 2424 F N -1.535 118.390 119.950 -0.041 0.000 2.925 2424 F HA 0.411 4.944 4.527 0.009 0.000 0.355 2424 F C 0.734 176.475 175.800 -0.098 0.000 1.073 2424 F CA -0.560 57.410 58.000 -0.049 0.000 1.127 2424 F CB 0.197 39.177 39.000 -0.034 0.000 1.123 2424 F HN 0.043 nan 8.300 nan 0.000 0.551 2425 K N 5.043 125.505 120.400 0.103 0.000 2.285 2425 K HA 0.309 4.635 4.320 0.010 0.000 0.286 2425 K C -2.380 174.150 176.600 -0.116 0.000 1.072 2425 K CA -2.244 53.976 56.287 -0.112 0.000 0.913 2425 K CB 0.622 32.987 32.500 -0.225 0.000 1.067 2425 K HN -0.128 nan 8.250 nan 0.000 0.479 2426 P HA 0.093 nan 4.420 nan 0.000 0.273 2426 P C -0.773 176.370 177.300 -0.261 0.000 1.250 2426 P CA -0.181 62.714 63.100 -0.342 0.000 0.793 2426 P CB 0.692 31.876 31.700 -0.860 0.000 1.011 2427 D N -1.479 118.844 120.400 -0.129 0.000 2.349 2427 D HA -0.059 4.587 4.640 0.010 0.000 0.224 2427 D C 1.172 177.601 176.300 0.214 0.000 1.029 2427 D CA 0.719 54.772 54.000 0.088 0.000 0.879 2427 D CB -0.421 40.456 40.800 0.129 0.000 0.906 2427 D HN 0.438 nan 8.370 nan 0.000 0.528 2428 H N -0.841 118.281 119.070 0.086 0.000 2.525 2428 H HA 0.030 4.592 4.556 0.010 0.000 0.275 2428 H C 0.209 175.574 175.328 0.062 0.000 0.984 2428 H CA -0.233 55.848 56.048 0.055 0.000 1.264 2428 H CB -1.145 28.639 29.762 0.036 0.000 1.432 2428 H HN 0.199 nan 8.280 nan 0.000 0.549 2429 Y N 2.456 122.699 120.300 -0.094 0.000 2.895 2429 Y HA -0.113 4.442 4.550 0.009 0.000 0.334 2429 Y C 1.584 177.430 175.900 -0.090 0.000 1.261 2429 Y CA 0.686 58.664 58.100 -0.203 0.000 1.560 2429 Y CB 0.419 38.652 38.460 -0.378 0.000 1.253 2429 Y HN -0.000 nan 8.280 nan 0.000 0.582 2430 R N 2.710 123.118 120.500 -0.154 0.000 2.250 2430 R HA 0.112 4.458 4.340 0.010 0.000 0.194 2430 R C -0.727 175.696 176.300 0.204 0.000 0.927 2430 R CA 0.029 56.159 56.100 0.049 0.000 1.052 2430 R CB 0.221 30.508 30.300 -0.021 0.000 1.055 2430 R HN 0.843 nan 8.270 nan 0.000 0.537 2431 Y N 0.000 120.294 120.300 -0.010 0.000 2.660 2431 Y HA 0.000 4.556 4.550 0.010 0.000 0.201 2431 Y CA 0.000 58.144 58.100 0.074 0.000 1.940 2431 Y CB 0.000 38.575 38.460 0.191 0.000 1.050 2431 Y HN 0.000 nan 8.280 nan 0.000 0.758