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 1p0f_1_B DATA FIRST_RESID 2001 DATA SEQUENCE CTAGKDITCK AAVAWEPHKP LSLETITVAP PKAHEVRIKI LASGICGSDS DATA SEQUENCE SVLKEIIPSK FPVILGHEAV GVVESIGAGV TCVKPGDKVI PLFVPQCGSC DATA SEQUENCE RACKSSNSNF CEKNDMGAKT GLMADMTSRF TCRGKPIYNL MGTSTFTEYT DATA SEQUENCE VVADIAVAKI DPKAPLESCL IGCGFATGYG AAVNTAKVTP GSTCAVFGLG DATA SEQUENCE GVGFSAIVGC KAAGASRIIG VGTHKDKFPK AIELGATECL NPKDYDKPIY DATA SEQUENCE EVICEKTNGG VDYAVECAGR IETMMNALQS TYCGSGVTVV LGLASPNERL DATA SEQUENCE PLDPLLLLTG RSLKGSVFGG FKGEEVSRLV DDYMKKKINV NFLVSTKLTL DATA SEQUENCE DQINKAFELL SSGQGVRSIM IY 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 2001 C HA 0.000 nan 4.460 nan 0.000 0.325 2001 C C 0.000 174.984 174.990 -0.011 0.000 1.270 2001 C CA 0.000 59.018 59.018 0.001 0.000 1.963 2001 C CB 0.000 27.740 27.740 0.000 0.000 2.134 2002 T N 0.934 115.479 114.554 -0.015 0.000 3.044 2002 T HA 0.475 4.826 4.350 0.000 0.000 0.260 2002 T C 0.738 175.418 174.700 -0.034 0.000 1.019 2002 T CA 0.700 62.776 62.100 -0.040 0.000 0.921 2002 T CB 0.098 68.919 68.868 -0.079 0.000 1.053 2002 T HN 1.691 nan 8.240 nan 0.000 0.533 2003 A N 1.057 123.867 122.820 -0.015 0.000 2.546 2003 A HA 0.513 4.833 4.320 0.000 0.000 0.243 2003 A C 1.750 179.323 177.584 -0.019 0.000 1.063 2003 A CA 0.394 52.423 52.037 -0.012 0.000 0.757 2003 A CB -1.126 17.871 19.000 -0.004 0.000 0.991 2003 A HN 1.509 nan 8.150 nan 0.000 0.503 2004 G N 1.730 110.517 108.800 -0.022 0.000 2.155 2004 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 2004 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 2004 G C 0.151 175.035 174.900 -0.027 0.000 0.983 2004 G CA 1.051 46.136 45.100 -0.024 0.000 0.676 2004 G HN 0.904 nan 8.290 nan 0.000 0.528 2005 K N 0.260 120.639 120.400 -0.035 0.000 2.328 2005 K HA 0.446 4.766 4.320 0.000 0.000 0.246 2005 K C -0.894 175.676 176.600 -0.051 0.000 0.955 2005 K CA -1.119 55.145 56.287 -0.039 0.000 0.817 2005 K CB 1.459 33.935 32.500 -0.040 0.000 1.208 2005 K HN 0.033 nan 8.250 nan 0.000 0.432 2006 D N 1.818 122.191 120.400 -0.044 0.000 2.414 2006 D HA 0.150 4.791 4.640 0.000 0.000 0.242 2006 D C -0.116 176.140 176.300 -0.073 0.000 1.129 2006 D CA 0.366 54.339 54.000 -0.046 0.000 0.885 2006 D CB 0.821 41.605 40.800 -0.026 0.000 1.198 2006 D HN 0.274 nan 8.370 nan 0.000 0.437 2007 I N 1.263 121.773 120.570 -0.099 0.000 2.404 2007 I HA 0.128 4.298 4.170 0.000 0.000 0.293 2007 I C 0.559 176.618 176.117 -0.096 0.000 0.992 2007 I CA -0.596 60.603 61.300 -0.168 0.000 1.149 2007 I CB 1.795 39.564 38.000 -0.385 0.000 1.315 2007 I HN 0.248 nan 8.210 nan 0.000 0.446 2008 T N 2.978 117.485 114.554 -0.078 0.000 2.767 2008 T HA 0.668 5.018 4.350 0.000 0.000 0.284 2008 T C -0.318 174.374 174.700 -0.013 0.000 0.973 2008 T CA -0.629 61.456 62.100 -0.025 0.000 0.996 2008 T CB 1.104 69.965 68.868 -0.012 0.000 0.927 2008 T HN 0.843 nan 8.240 nan 0.000 0.456 2009 C N 1.559 120.874 119.300 0.024 0.000 3.316 2009 C HA 0.799 5.259 4.460 0.000 0.000 0.360 2009 C C -0.748 174.258 174.990 0.026 0.000 1.560 2009 C CA -1.255 57.799 59.018 0.060 0.000 1.229 2009 C CB 0.996 28.846 27.740 0.183 0.000 1.823 2009 C HN 1.187 nan 8.230 nan 0.000 0.440 2010 K N 0.971 121.372 120.400 0.002 0.000 2.118 2010 K HA 0.742 5.062 4.320 0.000 0.000 0.267 2010 K C -0.480 176.059 176.600 -0.101 0.000 0.991 2010 K CA 0.201 56.456 56.287 -0.054 0.000 0.916 2010 K CB 1.408 33.856 32.500 -0.085 0.000 1.041 2010 K HN 1.337 nan 8.250 nan 0.000 0.455 2011 A N 1.714 124.469 122.820 -0.108 0.000 2.604 2011 A HA 0.642 4.962 4.320 0.000 0.000 0.295 2011 A C -1.757 175.760 177.584 -0.111 0.000 1.067 2011 A CA -0.743 51.214 52.037 -0.134 0.000 0.683 2011 A CB 1.507 20.394 19.000 -0.189 0.000 1.281 2011 A HN 0.702 nan 8.150 nan 0.000 0.407 2012 A N 1.019 123.789 122.820 -0.082 0.000 2.260 2012 A HA 0.621 4.941 4.320 0.000 0.000 0.312 2012 A C -0.417 177.112 177.584 -0.091 0.000 1.321 2012 A CA -0.332 51.663 52.037 -0.070 0.000 0.928 2012 A CB 0.040 18.995 19.000 -0.075 0.000 1.158 2012 A HN 1.294 nan 8.150 nan 0.000 0.542 2013 V N 1.880 121.691 119.914 -0.172 0.000 2.532 2013 V HA 0.622 4.742 4.120 0.000 0.000 0.295 2013 V C 0.641 176.542 176.094 -0.322 0.000 1.041 2013 V CA -0.228 61.853 62.300 -0.364 0.000 0.926 2013 V CB 1.685 33.077 31.823 -0.718 0.000 0.992 2013 V HN 1.031 nan 8.190 nan 0.000 0.457 2014 A N 3.481 126.141 122.820 -0.266 0.000 2.540 2014 A HA 0.392 4.712 4.320 0.000 0.000 0.340 2014 A C 0.183 177.797 177.584 0.051 0.000 1.424 2014 A CA -0.488 51.532 52.037 -0.028 0.000 0.940 2014 A CB -0.195 18.872 19.000 0.111 0.000 1.149 2014 A HN 0.984 nan 8.150 nan 0.000 0.505 2015 W N 1.451 122.847 121.300 0.160 0.000 2.402 2015 W HA 0.062 4.722 4.660 0.000 0.000 0.286 2015 W C 1.165 177.775 176.519 0.152 0.000 1.221 2015 W CA 1.266 58.704 57.345 0.155 0.000 1.257 2015 W CB 0.337 29.839 29.460 0.070 0.000 1.120 2015 W HN 0.760 nan 8.180 nan 0.000 0.551 2016 E N -1.813 118.527 120.200 0.232 0.000 2.407 2016 E HA 0.337 4.687 4.350 0.000 0.000 0.279 2016 E C -2.916 173.460 176.600 -0.373 0.000 1.012 2016 E CA -2.376 53.909 56.400 -0.192 0.000 0.800 2016 E CB 1.788 31.445 29.700 -0.072 0.000 1.276 2016 E HN -0.356 nan 8.360 nan 0.000 0.452 2017 P HA 0.073 nan 4.420 nan 0.000 0.274 2017 P C -0.670 176.434 177.300 -0.327 0.000 1.256 2017 P CA -0.005 62.719 63.100 -0.628 0.000 0.795 2017 P CB 0.113 31.287 31.700 -0.877 0.000 1.038 2018 H N -2.427 116.612 119.070 -0.052 0.000 2.822 2018 H HA -0.147 4.409 4.556 0.000 0.000 0.295 2018 H C -0.247 175.066 175.328 -0.025 0.000 1.151 2018 H CA 0.969 57.002 56.048 -0.025 0.000 1.151 2018 H CB -1.625 28.118 29.762 -0.032 0.000 1.343 2018 H HN 0.387 nan 8.280 nan 0.000 0.382 2019 K N 0.221 120.638 120.400 0.027 0.000 2.464 2019 K HA 0.417 4.737 4.320 0.000 0.000 0.253 2019 K C -2.400 174.186 176.600 -0.024 0.000 0.933 2019 K CA -1.858 54.441 56.287 0.020 0.000 0.801 2019 K CB 2.108 34.628 32.500 0.034 0.000 1.271 2019 K HN -0.115 nan 8.250 nan 0.000 0.430 2020 P HA 0.106 nan 4.420 nan 0.000 0.267 2020 P C -0.136 177.114 177.300 -0.083 0.000 1.200 2020 P CA -0.198 62.850 63.100 -0.086 0.000 0.772 2020 P CB 0.437 32.112 31.700 -0.043 0.000 0.855 2021 L N 1.338 122.455 121.223 -0.176 0.000 2.485 2021 L HA 0.078 4.418 4.340 0.000 0.000 0.275 2021 L C 0.525 177.374 176.870 -0.036 0.000 1.207 2021 L CA 0.429 55.193 54.840 -0.126 0.000 0.855 2021 L CB 0.083 42.014 42.059 -0.214 0.000 1.114 2021 L HN 0.385 nan 8.230 nan 0.000 0.485 2022 S N 3.888 119.607 115.700 0.031 0.000 2.429 2022 S HA 0.420 4.890 4.470 0.000 0.000 0.302 2022 S C -0.240 174.395 174.600 0.059 0.000 1.115 2022 S CA -0.755 57.507 58.200 0.103 0.000 1.095 2022 S CB 1.203 64.593 63.200 0.317 0.000 0.987 2022 S HN 0.249 nan 8.310 nan 0.000 0.474 2023 L N 4.408 125.651 121.223 0.034 0.000 2.361 2023 L HA 0.394 4.734 4.340 0.000 0.000 0.278 2023 L C 0.639 177.535 176.870 0.044 0.000 1.113 2023 L CA 0.688 55.531 54.840 0.006 0.000 0.849 2023 L CB -0.255 41.795 42.059 -0.014 0.000 1.155 2023 L HN 0.676 nan 8.230 nan 0.000 0.452 2024 E N 1.928 122.147 120.200 0.032 0.000 2.392 2024 E HA 0.433 4.784 4.350 0.000 0.000 0.269 2024 E C -0.770 175.845 176.600 0.025 0.000 0.924 2024 E CA -0.688 55.752 56.400 0.067 0.000 0.784 2024 E CB 2.061 31.846 29.700 0.142 0.000 1.292 2024 E HN 0.315 nan 8.360 nan 0.000 0.447 2025 T N 1.986 116.565 114.554 0.042 0.000 2.767 2025 T HA 0.548 4.898 4.350 0.000 0.000 0.288 2025 T C 0.374 175.094 174.700 0.034 0.000 0.963 2025 T CA -0.405 61.711 62.100 0.026 0.000 1.019 2025 T CB -0.013 68.871 68.868 0.027 0.000 0.923 2025 T HN 0.375 nan 8.240 nan 0.000 0.468 2026 I N -0.217 120.363 120.570 0.018 0.000 3.206 2026 I HA 0.797 4.967 4.170 0.000 0.000 0.313 2026 I C -0.671 175.473 176.117 0.044 0.000 1.103 2026 I CA -0.977 60.339 61.300 0.026 0.000 0.985 2026 I CB 2.471 40.456 38.000 -0.025 0.000 1.240 2026 I HN 0.300 nan 8.210 nan 0.000 0.464 2027 T N 2.390 116.986 114.554 0.070 0.000 2.792 2027 T HA 0.564 4.914 4.350 0.000 0.000 0.280 2027 T C -0.582 174.195 174.700 0.128 0.000 0.990 2027 T CA -0.431 61.709 62.100 0.067 0.000 0.960 2027 T CB 1.706 70.602 68.868 0.047 0.000 0.939 2027 T HN 0.412 nan 8.240 nan 0.000 0.439 2028 V N 2.945 122.924 119.914 0.108 0.000 2.334 2028 V HA 0.655 4.775 4.120 0.000 0.000 0.281 2028 V C 0.635 176.746 176.094 0.029 0.000 1.016 2028 V CA -1.068 61.320 62.300 0.147 0.000 0.832 2028 V CB 0.945 32.893 31.823 0.208 0.000 0.999 2028 V HN 1.124 nan 8.190 nan 0.000 0.439 2029 A N 7.735 130.553 122.820 -0.004 0.000 2.386 2029 A HA 0.640 4.961 4.320 0.000 0.000 0.246 2029 A C -2.360 175.199 177.584 -0.042 0.000 1.089 2029 A CA -0.964 51.053 52.037 -0.032 0.000 0.790 2029 A CB -0.159 18.813 19.000 -0.046 0.000 1.042 2029 A HN 0.651 nan 8.150 nan 0.000 0.497 2030 P HA 0.237 nan 4.420 nan 0.000 0.272 2030 P C -2.504 174.772 177.300 -0.040 0.000 1.223 2030 P CA -1.028 62.050 63.100 -0.036 0.000 0.784 2030 P CB 0.011 31.691 31.700 -0.033 0.000 0.923 2031 P HA 0.113 nan 4.420 nan 0.000 0.271 2031 P C -0.373 176.902 177.300 -0.042 0.000 1.216 2031 P CA 0.256 63.334 63.100 -0.037 0.000 0.771 2031 P CB 0.983 32.669 31.700 -0.022 0.000 0.864 2032 K N 1.616 121.989 120.400 -0.045 0.000 2.627 2032 K HA 0.517 4.837 4.320 0.000 0.000 0.269 2032 K C 0.486 177.053 176.600 -0.055 0.000 1.029 2032 K CA -0.797 55.463 56.287 -0.045 0.000 1.026 2032 K CB 0.263 32.741 32.500 -0.037 0.000 1.350 2032 K HN 0.488 nan 8.250 nan 0.000 0.506 2033 A N 1.512 124.294 122.820 -0.062 0.000 2.567 2033 A HA -0.050 4.270 4.320 0.000 0.000 0.240 2033 A C -0.169 177.378 177.584 -0.061 0.000 1.053 2033 A CA 0.398 52.359 52.037 -0.126 0.000 0.755 2033 A CB -0.552 18.399 19.000 -0.081 0.000 0.978 2033 A HN 0.855 nan 8.150 nan 0.000 0.507 2034 H N 0.019 119.078 119.070 -0.018 0.000 2.791 2034 H HA -0.128 4.428 4.556 0.000 0.000 0.302 2034 H C -0.021 175.294 175.328 -0.022 0.000 1.198 2034 H CA 1.646 57.683 56.048 -0.019 0.000 1.145 2034 H CB -1.447 28.303 29.762 -0.019 0.000 1.385 2034 H HN 0.894 nan 8.280 nan 0.000 0.409 2035 E N -0.413 119.804 120.200 0.029 0.000 2.336 2035 E HA 0.691 5.041 4.350 0.000 0.000 0.267 2035 E C -0.333 176.269 176.600 0.003 0.000 0.906 2035 E CA -1.080 55.328 56.400 0.012 0.000 0.781 2035 E CB 3.020 32.712 29.700 -0.014 0.000 1.261 2035 E HN -0.029 nan 8.360 nan 0.000 0.436 2036 V N 1.606 121.525 119.914 0.007 0.000 2.577 2036 V HA 0.374 4.494 4.120 0.000 0.000 0.303 2036 V C -0.508 175.603 176.094 0.028 0.000 1.042 2036 V CA -0.793 61.517 62.300 0.017 0.000 0.872 2036 V CB 1.803 33.639 31.823 0.022 0.000 0.998 2036 V HN 0.542 nan 8.190 nan 0.000 0.423 2037 R N 4.309 124.836 120.500 0.045 0.000 2.265 2037 R HA 0.729 5.069 4.340 0.000 0.000 0.319 2037 R C -1.167 175.207 176.300 0.124 0.000 1.006 2037 R CA -0.335 55.818 56.100 0.088 0.000 0.880 2037 R CB 0.843 31.200 30.300 0.095 0.000 1.077 2037 R HN 0.717 nan 8.270 nan 0.000 0.454 2038 I N 3.642 124.296 120.570 0.139 0.000 2.474 2038 I HA 0.272 4.442 4.170 0.000 0.000 0.294 2038 I C -0.269 175.869 176.117 0.034 0.000 1.005 2038 I CA -0.864 60.491 61.300 0.093 0.000 1.113 2038 I CB 2.050 40.083 38.000 0.054 0.000 1.289 2038 I HN 0.474 nan 8.210 nan 0.000 0.436 2039 K N 6.891 127.235 120.400 -0.094 0.000 2.267 2039 K HA 0.356 4.676 4.320 0.000 0.000 0.282 2039 K C -0.557 175.909 176.600 -0.224 0.000 1.078 2039 K CA -0.605 55.405 56.287 -0.461 0.000 0.903 2039 K CB 0.604 32.879 32.500 -0.375 0.000 1.111 2039 K HN 0.441 nan 8.250 nan 0.000 0.475 2040 I N 6.536 127.010 120.570 -0.161 0.000 2.556 2040 I HA -0.054 4.116 4.170 0.000 0.000 0.284 2040 I C 1.237 177.311 176.117 -0.072 0.000 1.114 2040 I CA 0.296 61.572 61.300 -0.040 0.000 1.418 2040 I CB 0.777 38.849 38.000 0.121 0.000 1.394 2040 I HN 0.804 nan 8.210 nan 0.000 0.552 2041 L N 5.053 126.185 121.223 -0.151 0.000 2.388 2041 L HA 0.328 4.668 4.340 0.000 0.000 0.209 2041 L C 0.748 177.435 176.870 -0.305 0.000 1.061 2041 L CA 0.369 55.118 54.840 -0.152 0.000 0.834 2041 L CB 0.072 42.074 42.059 -0.095 0.000 1.029 2041 L HN 0.730 nan 8.230 nan 0.000 0.473 2042 A N -0.855 121.746 122.820 -0.366 0.000 2.547 2042 A HA 0.663 4.983 4.320 0.000 0.000 0.297 2042 A C -1.066 176.299 177.584 -0.364 0.000 1.056 2042 A CA -0.303 51.489 52.037 -0.408 0.000 0.688 2042 A CB 1.910 20.788 19.000 -0.203 0.000 1.282 2042 A HN -0.105 nan 8.150 nan 0.000 0.400 2043 S N 0.572 116.063 115.700 -0.348 0.000 2.547 2043 S HA 0.739 5.209 4.470 0.000 0.000 0.281 2043 S C 0.088 174.677 174.600 -0.018 0.000 1.118 2043 S CA 0.205 58.332 58.200 -0.121 0.000 0.947 2043 S CB 1.331 64.548 63.200 0.028 0.000 1.053 2043 S HN 1.874 nan 8.310 nan 0.000 0.482 2044 G N 2.256 111.055 108.800 -0.002 0.000 2.477 2044 G HA2 0.625 4.585 3.960 0.000 0.000 0.304 2044 G HA3 0.625 4.585 3.960 0.000 0.000 0.304 2044 G C -1.111 173.829 174.900 0.066 0.000 1.175 2044 G CA -0.578 44.519 45.100 -0.005 0.000 0.907 2044 G HN 0.610 nan 8.290 nan 0.000 0.509 2045 I N 0.457 121.027 120.570 -0.002 0.000 2.330 2045 I HA 0.279 4.449 4.170 0.000 0.000 0.289 2045 I C 0.328 176.378 176.117 -0.112 0.000 1.001 2045 I CA -0.563 60.719 61.300 -0.030 0.000 1.193 2045 I CB 1.171 39.005 38.000 -0.277 0.000 1.345 2045 I HN 0.427 nan 8.210 nan 0.000 0.461 2046 C N 4.416 123.662 119.300 -0.090 0.000 2.351 2046 C HA 0.631 5.091 4.460 0.000 0.000 0.359 2046 C C 2.013 176.991 174.990 -0.019 0.000 1.193 2046 C CA -0.064 58.914 59.018 -0.068 0.000 2.270 2046 C CB 0.834 28.504 27.740 -0.115 0.000 2.369 2046 C HN 1.002 nan 8.230 nan 0.000 0.553 2047 G N 2.167 110.977 108.800 0.017 0.000 2.450 2047 G HA2 -0.155 3.805 3.960 0.000 0.000 0.220 2047 G HA3 -0.155 3.805 3.960 0.000 0.000 0.220 2047 G C 1.612 176.563 174.900 0.084 0.000 1.130 2047 G CA 1.289 46.415 45.100 0.043 0.000 0.760 2047 G HN 0.769 nan 8.290 nan 0.000 0.557 2048 S N 0.575 116.336 115.700 0.102 0.000 2.402 2048 S HA -0.074 4.396 4.470 0.000 0.000 0.229 2048 S C 1.958 176.628 174.600 0.117 0.000 1.021 2048 S CA 1.143 59.392 58.200 0.082 0.000 0.974 2048 S CB -0.176 63.027 63.200 0.005 0.000 0.800 2048 S HN 0.411 nan 8.310 nan 0.000 0.484 2049 D N 0.826 121.348 120.400 0.204 0.000 2.144 2049 D HA -0.055 4.585 4.640 0.000 0.000 0.200 2049 D C 2.103 178.652 176.300 0.415 0.000 0.978 2049 D CA 0.898 55.072 54.000 0.291 0.000 0.833 2049 D CB -0.350 40.687 40.800 0.395 0.000 0.961 2049 D HN 0.355 nan 8.370 nan 0.000 0.470 2050 S N 0.109 116.026 115.700 0.362 0.000 2.368 2050 S HA -0.111 4.359 4.470 0.000 0.000 0.224 2050 S C 2.136 176.891 174.600 0.258 0.000 1.029 2050 S CA 1.239 59.695 58.200 0.428 0.000 0.988 2050 S CB -0.036 63.322 63.200 0.263 0.000 0.838 2050 S HN 0.032 nan 8.310 nan 0.000 0.462 2051 S N 0.670 116.474 115.700 0.174 0.000 2.399 2051 S HA -0.050 4.420 4.470 0.000 0.000 0.231 2051 S C 1.835 176.503 174.600 0.112 0.000 1.022 2051 S CA 1.229 59.504 58.200 0.125 0.000 0.983 2051 S CB -0.392 62.861 63.200 0.088 0.000 0.803 2051 S HN 0.424 nan 8.310 nan 0.000 0.480 2052 V N 2.057 122.039 119.914 0.114 0.000 2.343 2052 V HA -0.134 3.986 4.120 0.000 0.000 0.247 2052 V C 2.118 178.313 176.094 0.169 0.000 1.051 2052 V CA 1.439 63.800 62.300 0.101 0.000 1.036 2052 V CB -0.637 31.208 31.823 0.037 0.000 0.654 2052 V HN 0.448 nan 8.190 nan 0.000 0.451 2053 L N -0.493 120.830 121.223 0.166 0.000 2.191 2053 L HA -0.155 4.186 4.340 0.000 0.000 0.212 2053 L C 2.162 178.981 176.870 -0.086 0.000 1.103 2053 L CA 1.468 56.365 54.840 0.096 0.000 0.769 2053 L CB -0.434 41.669 42.059 0.073 0.000 0.908 2053 L HN 0.328 nan 8.230 nan 0.000 0.438 2054 K N -0.171 120.237 120.400 0.014 0.000 2.404 2054 K HA 0.066 4.386 4.320 0.000 0.000 0.194 2054 K C 0.018 176.653 176.600 0.059 0.000 1.023 2054 K CA -0.046 56.270 56.287 0.047 0.000 1.094 2054 K CB 0.384 32.980 32.500 0.159 0.000 0.841 2054 K HN 0.162 nan 8.250 nan 0.000 0.523 2055 E N -0.326 119.877 120.200 0.005 0.000 2.971 2055 E HA -0.257 4.093 4.350 0.000 0.000 0.278 2055 E C 0.662 177.317 176.600 0.091 0.000 1.009 2055 E CA 0.430 56.869 56.400 0.065 0.000 0.862 2055 E CB -1.847 27.894 29.700 0.069 0.000 1.436 2055 E HN 0.420 nan 8.360 nan 0.000 0.434 2056 I N 0.154 120.777 120.570 0.089 0.000 2.500 2056 I HA -0.035 4.135 4.170 0.000 0.000 0.252 2056 I C 1.263 177.416 176.117 0.059 0.000 1.142 2056 I CA 0.964 62.311 61.300 0.078 0.000 1.451 2056 I CB 0.160 38.209 38.000 0.081 0.000 1.093 2056 I HN 0.075 nan 8.210 nan 0.000 0.430 2057 I N 1.523 122.125 120.570 0.055 0.000 2.389 2057 I HA 0.290 4.460 4.170 0.000 0.000 0.288 2057 I C -2.368 173.768 176.117 0.032 0.000 0.999 2057 I CA -2.062 59.255 61.300 0.030 0.000 1.129 2057 I CB 1.569 39.571 38.000 0.005 0.000 1.288 2057 I HN -0.275 nan 8.210 nan 0.000 0.444 2058 P HA 0.101 nan 4.420 nan 0.000 0.267 2058 P C -0.651 176.635 177.300 -0.023 0.000 1.200 2058 P CA 0.084 63.199 63.100 0.025 0.000 0.772 2058 P CB 0.741 32.450 31.700 0.016 0.000 0.855 2059 S N 0.942 116.626 115.700 -0.027 0.000 2.580 2059 S HA 0.276 4.746 4.470 0.000 0.000 0.281 2059 S C -1.318 173.153 174.600 -0.215 0.000 1.129 2059 S CA -0.951 57.139 58.200 -0.184 0.000 0.862 2059 S CB 0.657 63.660 63.200 -0.327 0.000 1.090 2059 S HN 0.222 nan 8.310 nan 0.000 0.451 2060 K N 1.406 121.585 120.400 -0.368 0.000 2.107 2060 K HA 0.599 4.919 4.320 0.000 0.000 0.251 2060 K C -1.151 175.188 176.600 -0.434 0.000 1.012 2060 K CA -0.150 55.907 56.287 -0.383 0.000 0.920 2060 K CB 0.434 32.372 32.500 -0.936 0.000 1.033 2060 K HN 0.422 nan 8.250 nan 0.000 0.478 2061 F N 0.842 120.758 119.950 -0.057 0.000 2.588 2061 F HA 0.327 4.854 4.527 0.000 0.000 0.314 2061 F C -1.959 174.010 175.800 0.281 0.000 1.069 2061 F CA -2.250 55.813 58.000 0.105 0.000 0.931 2061 F CB 1.396 40.438 39.000 0.071 0.000 1.260 2061 F HN 0.399 nan 8.300 nan 0.000 0.465 2062 P HA 0.321 nan 4.420 nan 0.000 0.274 2062 P C -1.254 176.084 177.300 0.064 0.000 1.231 2062 P CA -0.180 63.043 63.100 0.206 0.000 0.790 2062 P CB 2.263 33.940 31.700 -0.038 0.000 0.951 2063 V N 3.230 123.065 119.914 -0.132 0.000 3.012 2063 V HA 0.427 4.547 4.120 0.000 0.000 0.307 2063 V C -0.863 175.116 176.094 -0.190 0.000 1.166 2063 V CA -1.068 61.134 62.300 -0.162 0.000 0.974 2063 V CB 2.185 33.808 31.823 -0.334 0.000 1.040 2063 V HN 0.358 nan 8.190 nan 0.000 0.428 2064 I N 6.787 127.263 120.570 -0.155 0.000 2.312 2064 I HA 0.357 4.527 4.170 0.000 0.000 0.290 2064 I C 0.160 176.210 176.117 -0.112 0.000 1.008 2064 I CA -0.216 60.984 61.300 -0.167 0.000 1.226 2064 I CB 1.247 39.032 38.000 -0.358 0.000 1.371 2064 I HN 0.479 nan 8.210 nan 0.000 0.468 2065 L N 5.028 126.205 121.223 -0.077 0.000 2.744 2065 L HA 0.725 5.065 4.340 0.000 0.000 0.218 2065 L C 0.666 177.009 176.870 -0.879 0.000 1.190 2065 L CA -0.603 54.075 54.840 -0.271 0.000 0.869 2065 L CB 0.352 42.394 42.059 -0.028 0.000 1.652 2065 L HN 0.779 nan 8.230 nan 0.000 0.519 2066 G N 0.272 108.346 108.800 -1.209 0.000 3.190 2066 G HA2 -0.090 3.870 3.960 0.000 0.000 0.686 2066 G HA3 -0.090 3.870 3.960 0.000 0.000 0.686 2066 G C -0.475 174.211 174.900 -0.356 0.000 1.033 2066 G CA -0.091 44.215 45.100 -1.324 0.000 0.797 2066 G HN 1.093 nan 8.290 nan 0.000 0.567 2067 H N 0.297 119.175 119.070 -0.321 0.000 3.109 2067 H HA 0.401 4.957 4.556 0.000 0.000 0.248 2067 H C -0.101 175.204 175.328 -0.039 0.000 1.177 2067 H CA 0.253 56.205 56.048 -0.160 0.000 0.977 2067 H CB 0.506 30.116 29.762 -0.253 0.000 2.165 2067 H HN 0.606 nan 8.280 nan 0.000 0.693 2068 E N 1.370 121.405 120.200 -0.276 0.000 2.518 2068 E HA 0.643 4.993 4.350 0.000 0.000 0.240 2068 E C -1.303 175.260 176.600 -0.061 0.000 0.996 2068 E CA -0.523 55.791 56.400 -0.143 0.000 0.768 2068 E CB 0.969 30.530 29.700 -0.232 0.000 1.329 2068 E HN 0.529 nan 8.360 nan 0.000 0.408 2069 A N 2.368 125.177 122.820 -0.018 0.000 2.581 2069 A HA 0.719 5.039 4.320 0.000 0.000 0.290 2069 A C -1.735 175.834 177.584 -0.026 0.000 1.119 2069 A CA -0.610 51.404 52.037 -0.038 0.000 0.670 2069 A CB 2.017 20.994 19.000 -0.039 0.000 1.280 2069 A HN 0.345 nan 8.150 nan 0.000 0.425 2070 V N -0.246 119.634 119.914 -0.055 0.000 2.789 2070 V HA 0.921 5.041 4.120 0.000 0.000 0.311 2070 V C 0.102 176.161 176.094 -0.057 0.000 1.073 2070 V CA 0.738 63.013 62.300 -0.041 0.000 0.921 2070 V CB 1.780 33.579 31.823 -0.040 0.000 1.009 2070 V HN 2.138 nan 8.190 nan 0.000 0.426 2071 G N 3.782 112.560 108.800 -0.036 0.000 2.682 2071 G HA2 0.649 4.609 3.960 0.000 0.000 0.303 2071 G HA3 0.649 4.609 3.960 0.000 0.000 0.303 2071 G C -1.923 172.962 174.900 -0.024 0.000 1.341 2071 G CA -0.327 44.748 45.100 -0.042 0.000 0.784 2071 G HN 0.974 nan 8.290 nan 0.000 0.497 2072 V N 0.113 120.013 119.914 -0.023 0.000 2.656 2072 V HA 0.464 4.584 4.120 0.000 0.000 0.307 2072 V C 0.152 176.255 176.094 0.015 0.000 1.051 2072 V CA -0.749 61.549 62.300 -0.004 0.000 0.893 2072 V CB 1.758 33.579 31.823 -0.003 0.000 0.999 2072 V HN 0.633 nan 8.190 nan 0.000 0.426 2073 V N 3.932 123.861 119.914 0.025 0.000 2.529 2073 V HA 0.055 4.175 4.120 0.000 0.000 0.292 2073 V C 1.373 177.504 176.094 0.062 0.000 1.028 2073 V CA 0.517 62.842 62.300 0.042 0.000 1.074 2073 V CB 1.010 32.852 31.823 0.031 0.000 0.958 2073 V HN 1.064 nan 8.190 nan 0.000 0.481 2074 E N 3.419 123.677 120.200 0.098 0.000 2.127 2074 E HA 0.014 4.364 4.350 0.000 0.000 0.191 2074 E C 0.676 177.324 176.600 0.080 0.000 0.964 2074 E CA 1.092 57.569 56.400 0.128 0.000 0.832 2074 E CB 0.765 30.616 29.700 0.252 0.000 0.790 2074 E HN 0.847 nan 8.360 nan 0.000 0.465 2075 S N -0.291 115.447 115.700 0.064 0.000 2.587 2075 S HA 0.567 5.037 4.470 0.000 0.000 0.269 2075 S C -0.447 174.166 174.600 0.023 0.000 1.154 2075 S CA -0.911 57.309 58.200 0.034 0.000 0.824 2075 S CB 1.029 64.242 63.200 0.022 0.000 1.118 2075 S HN 0.245 nan 8.310 nan 0.000 0.462 2076 I N -0.906 119.668 120.570 0.006 0.000 2.689 2076 I HA 0.929 5.099 4.170 0.000 0.000 0.299 2076 I C 0.377 176.479 176.117 -0.025 0.000 1.059 2076 I CA -1.092 60.205 61.300 -0.005 0.000 1.055 2076 I CB 1.624 39.621 38.000 -0.004 0.000 1.243 2076 I HN 0.864 nan 8.210 nan 0.000 0.425 2077 G N 2.320 111.096 108.800 -0.040 0.000 2.557 2077 G HA2 0.598 4.558 3.960 0.000 0.000 0.292 2077 G HA3 0.598 4.558 3.960 0.000 0.000 0.292 2077 G C -0.161 174.672 174.900 -0.112 0.000 1.237 2077 G CA -0.552 44.507 45.100 -0.068 0.000 0.978 2077 G HN 1.056 nan 8.290 nan 0.000 0.498 2078 A N -1.351 121.387 122.820 -0.137 0.000 2.540 2078 A HA 0.494 4.814 4.320 0.000 0.000 0.239 2078 A C 1.651 179.033 177.584 -0.336 0.000 1.061 2078 A CA 1.342 53.275 52.037 -0.174 0.000 0.758 2078 A CB -0.450 18.464 19.000 -0.142 0.000 0.991 2078 A HN 2.576 nan 8.150 nan 0.000 0.502 2079 G N 0.880 109.529 108.800 -0.253 0.000 2.205 2079 G HA2 -0.195 3.765 3.960 0.000 0.000 0.261 2079 G HA3 -0.195 3.765 3.960 0.000 0.000 0.261 2079 G C 0.297 175.124 174.900 -0.122 0.000 0.980 2079 G CA 0.165 45.097 45.100 -0.281 0.000 0.632 2079 G HN 1.468 nan 8.290 nan 0.000 0.533 2080 V N 1.902 121.755 119.914 -0.102 0.000 2.521 2080 V HA 0.494 4.614 4.120 0.000 0.000 0.286 2080 V C 1.523 177.631 176.094 0.022 0.000 1.034 2080 V CA 1.394 63.703 62.300 0.014 0.000 1.045 2080 V CB 1.215 33.037 31.823 -0.001 0.000 0.974 2080 V HN 0.801 nan 8.190 nan 0.000 0.480 2081 T N -1.163 113.418 114.554 0.045 0.000 2.966 2081 T HA -0.058 4.292 4.350 0.000 0.000 0.254 2081 T C 1.631 176.346 174.700 0.025 0.000 0.961 2081 T CA 0.654 62.772 62.100 0.030 0.000 0.915 2081 T CB -0.326 68.562 68.868 0.033 0.000 1.186 2081 T HN 0.779 nan 8.240 nan 0.000 0.505 2082 C N 2.656 121.974 119.300 0.030 0.000 2.432 2082 C HA 0.506 4.967 4.460 0.000 0.000 0.280 2082 C C 1.004 176.004 174.990 0.017 0.000 1.353 2082 C CA -0.019 59.012 59.018 0.022 0.000 1.766 2082 C CB -1.562 26.191 27.740 0.021 0.000 1.924 2082 C HN 0.620 nan 8.230 nan 0.000 0.509 2083 V N -1.654 118.270 119.914 0.018 0.000 3.160 2083 V HA 0.796 4.916 4.120 0.000 0.000 0.310 2083 V C -0.979 175.123 176.094 0.013 0.000 1.181 2083 V CA -0.796 61.513 62.300 0.014 0.000 1.047 2083 V CB 1.853 33.685 31.823 0.015 0.000 1.068 2083 V HN 0.641 nan 8.190 nan 0.000 0.441 2084 K N -0.158 120.249 120.400 0.012 0.000 2.509 2084 K HA 0.739 5.059 4.320 0.000 0.000 0.266 2084 K C -3.328 173.280 176.600 0.014 0.000 0.987 2084 K CA -2.045 54.249 56.287 0.011 0.000 0.868 2084 K CB 1.895 34.400 32.500 0.008 0.000 1.421 2084 K HN 0.428 nan 8.250 nan 0.000 0.444 2085 P HA -0.022 nan 4.420 nan 0.000 0.262 2085 P C 0.534 177.845 177.300 0.019 0.000 1.182 2085 P CA 1.754 64.868 63.100 0.022 0.000 0.761 2085 P CB 0.531 32.244 31.700 0.022 0.000 0.795 2086 G N 2.156 110.970 108.800 0.023 0.000 2.279 2086 G HA2 -0.188 3.772 3.960 0.000 0.000 0.223 2086 G HA3 -0.188 3.772 3.960 0.000 0.000 0.223 2086 G C -0.046 174.860 174.900 0.010 0.000 1.015 2086 G CA -0.341 44.769 45.100 0.016 0.000 0.621 2086 G HN 0.508 nan 8.290 nan 0.000 0.506 2087 D N 1.371 121.777 120.400 0.010 0.000 2.424 2087 D HA 0.390 5.031 4.640 0.000 0.000 0.244 2087 D C 0.610 176.912 176.300 0.004 0.000 1.134 2087 D CA 0.347 54.350 54.000 0.006 0.000 0.881 2087 D CB 1.190 41.994 40.800 0.007 0.000 1.191 2087 D HN 0.528 nan 8.370 nan 0.000 0.445 2088 K N 1.326 121.725 120.400 -0.002 0.000 2.205 2088 K HA 0.422 4.742 4.320 0.000 0.000 0.279 2088 K C -0.557 176.042 176.600 -0.002 0.000 1.027 2088 K CA -0.592 55.692 56.287 -0.006 0.000 0.932 2088 K CB 0.679 33.171 32.500 -0.012 0.000 1.032 2088 K HN 0.302 nan 8.250 nan 0.000 0.466 2089 V N 1.013 120.926 119.914 -0.001 0.000 3.181 2089 V HA 0.612 4.732 4.120 0.000 0.000 0.308 2089 V C -0.870 175.226 176.094 0.004 0.000 1.214 2089 V CA -1.090 61.212 62.300 0.003 0.000 1.053 2089 V CB 1.684 33.511 31.823 0.008 0.000 1.069 2089 V HN 0.729 nan 8.190 nan 0.000 0.441 2090 I N 2.147 122.723 120.570 0.011 0.000 2.439 2090 I HA 0.504 4.674 4.170 0.000 0.000 0.285 2090 I C -2.648 173.478 176.117 0.015 0.000 1.021 2090 I CA -2.085 59.227 61.300 0.019 0.000 1.091 2090 I CB 2.717 40.739 38.000 0.037 0.000 1.242 2090 I HN 0.508 nan 8.210 nan 0.000 0.439 2091 P HA 0.175 nan 4.420 nan 0.000 0.268 2091 P C -1.023 176.269 177.300 -0.014 0.000 1.205 2091 P CA -0.035 63.073 63.100 0.014 0.000 0.771 2091 P CB 0.503 32.227 31.700 0.040 0.000 0.858 2092 L N 4.012 125.195 121.223 -0.067 0.000 2.280 2092 L HA 0.370 4.710 4.340 0.000 0.000 0.287 2092 L C 1.203 177.966 176.870 -0.179 0.000 1.023 2092 L CA -0.602 54.107 54.840 -0.219 0.000 0.819 2092 L CB 0.635 42.553 42.059 -0.235 0.000 1.212 2092 L HN 0.445 nan 8.230 nan 0.000 0.420 2093 F N 2.172 121.984 119.950 -0.230 0.000 2.661 2093 F HA 0.214 4.741 4.527 0.000 0.000 0.298 2093 F C 0.374 176.074 175.800 -0.167 0.000 1.137 2093 F CA -0.230 57.679 58.000 -0.152 0.000 1.454 2093 F CB -0.080 38.866 39.000 -0.090 0.000 1.103 2093 F HN 0.066 nan 8.300 nan 0.000 0.577 2094 V N 4.569 124.073 119.914 -0.684 0.000 2.304 2094 V HA 0.331 4.451 4.120 0.000 0.000 0.278 2094 V C -1.901 173.997 176.094 -0.326 0.000 1.018 2094 V CA -2.007 60.013 62.300 -0.467 0.000 0.814 2094 V CB 1.072 32.572 31.823 -0.539 0.000 1.021 2094 V HN -0.011 nan 8.190 nan 0.000 0.440 2095 P HA 0.197 nan 4.420 nan 0.000 0.277 2095 P C -0.945 176.286 177.300 -0.115 0.000 1.276 2095 P CA -0.482 62.531 63.100 -0.146 0.000 0.788 2095 P CB 1.156 32.786 31.700 -0.116 0.000 1.114 2096 Q N -0.211 119.542 119.800 -0.079 0.000 3.021 2096 Q HA 0.259 4.599 4.340 0.000 0.000 0.234 2096 Q C 0.706 176.677 176.000 -0.048 0.000 0.930 2096 Q CA -0.531 55.241 55.803 -0.051 0.000 0.714 2096 Q CB -0.031 28.694 28.738 -0.021 0.000 1.325 2096 Q HN 0.585 nan 8.270 nan 0.000 0.473 2097 C N 0.952 120.217 119.300 -0.059 0.000 2.446 2097 C HA 0.385 4.845 4.460 0.000 0.000 0.279 2097 C C 1.712 176.675 174.990 -0.045 0.000 1.366 2097 C CA 0.888 59.871 59.018 -0.059 0.000 1.763 2097 C CB -1.012 26.688 27.740 -0.067 0.000 1.929 2097 C HN 1.084 nan 8.230 nan 0.000 0.509 2098 G N 0.709 109.489 108.800 -0.033 0.000 2.205 2098 G HA2 -0.301 3.659 3.960 0.000 0.000 0.261 2098 G HA3 -0.301 3.659 3.960 0.000 0.000 0.261 2098 G C 0.968 175.855 174.900 -0.021 0.000 0.980 2098 G CA 1.175 46.262 45.100 -0.022 0.000 0.632 2098 G HN 1.523 nan 8.290 nan 0.000 0.533 2099 S N -1.312 114.372 115.700 -0.028 0.000 2.632 2099 S HA 0.366 4.836 4.470 0.000 0.000 0.237 2099 S C 1.462 176.049 174.600 -0.021 0.000 1.037 2099 S CA 0.948 59.133 58.200 -0.024 0.000 1.009 2099 S CB -0.511 62.671 63.200 -0.029 0.000 0.974 2099 S HN 1.721 nan 8.310 nan 0.000 0.544 2100 C N 1.474 120.759 119.300 -0.025 0.000 2.470 2100 C HA 0.613 5.074 4.460 0.000 0.000 0.350 2100 C C 2.100 177.085 174.990 -0.008 0.000 1.341 2100 C CA -0.540 58.465 59.018 -0.021 0.000 2.440 2100 C CB 0.465 28.184 27.740 -0.034 0.000 2.295 2100 C HN 0.648 nan 8.230 nan 0.000 0.645 2101 R N 0.776 121.276 120.500 0.000 0.000 2.096 2101 R HA -0.126 4.214 4.340 0.000 0.000 0.240 2101 R C 2.201 178.513 176.300 0.020 0.000 1.139 2101 R CA 2.301 58.408 56.100 0.011 0.000 0.952 2101 R CB -0.846 29.465 30.300 0.019 0.000 0.854 2101 R HN 0.927 nan 8.270 nan 0.000 0.436 2102 A N 0.258 123.094 122.820 0.027 0.000 1.877 2102 A HA -0.185 4.135 4.320 0.000 0.000 0.216 2102 A C 2.512 180.113 177.584 0.029 0.000 1.186 2102 A CA 1.624 53.687 52.037 0.044 0.000 0.620 2102 A CB -0.976 18.064 19.000 0.067 0.000 0.822 2102 A HN 0.621 nan 8.150 nan 0.000 0.443 2103 C N -0.670 118.635 119.300 0.009 0.000 2.422 2103 C HA -0.035 4.425 4.460 0.000 0.000 0.279 2103 C C 2.589 177.584 174.990 0.009 0.000 1.305 2103 C CA 1.257 60.279 59.018 0.006 0.000 1.757 2103 C CB -1.022 26.712 27.740 -0.010 0.000 1.962 2103 C HN 0.584 nan 8.230 nan 0.000 0.499 2104 K N 0.276 120.680 120.400 0.007 0.000 2.366 2104 K HA 0.002 4.322 4.320 0.000 0.000 0.198 2104 K C 1.045 177.652 176.600 0.011 0.000 1.044 2104 K CA 0.229 56.520 56.287 0.007 0.000 0.973 2104 K CB 0.030 32.532 32.500 0.004 0.000 0.767 2104 K HN 0.349 nan 8.250 nan 0.000 0.475 2105 S N -0.088 115.621 115.700 0.016 0.000 2.672 2105 S HA 0.114 4.584 4.470 0.000 0.000 0.276 2105 S C 0.946 175.557 174.600 0.019 0.000 1.207 2105 S CA -0.674 57.536 58.200 0.017 0.000 1.002 2105 S CB 1.261 64.474 63.200 0.021 0.000 0.998 2105 S HN 0.246 nan 8.310 nan 0.000 0.542 2106 S N 1.148 116.857 115.700 0.014 0.000 2.539 2106 S HA 0.076 4.546 4.470 0.000 0.000 0.221 2106 S C 0.712 175.316 174.600 0.007 0.000 0.987 2106 S CA 0.118 58.326 58.200 0.013 0.000 0.929 2106 S CB -0.730 62.475 63.200 0.009 0.000 0.832 2106 S HN 0.873 nan 8.310 nan 0.000 0.492 2107 N N 0.257 118.962 118.700 0.007 0.000 2.214 2107 N HA 0.229 4.969 4.740 0.000 0.000 0.214 2107 N C -0.135 175.380 175.510 0.009 0.000 1.132 2107 N CA -0.284 52.766 53.050 -0.000 0.000 0.856 2107 N CB 0.641 39.126 38.487 -0.003 0.000 1.020 2107 N HN 0.181 nan 8.380 nan 0.000 0.509 2108 S N 0.636 116.353 115.700 0.028 0.000 2.556 2108 S HA 0.265 4.736 4.470 0.000 0.000 0.271 2108 S C -0.964 173.682 174.600 0.078 0.000 1.135 2108 S CA -0.777 57.456 58.200 0.056 0.000 0.858 2108 S CB 1.259 64.503 63.200 0.074 0.000 1.114 2108 S HN 0.430 nan 8.310 nan 0.000 0.468 2109 N N 1.735 120.507 118.700 0.121 0.000 2.143 2109 N HA 0.102 4.842 4.740 0.000 0.000 0.222 2109 N C -0.422 175.190 175.510 0.170 0.000 1.264 2109 N CA -0.208 52.920 53.050 0.131 0.000 0.897 2109 N CB -0.187 38.393 38.487 0.155 0.000 1.092 2109 N HN 0.417 nan 8.380 nan 0.000 0.516 2110 F N 3.014 122.974 119.950 0.016 0.000 2.662 2110 F HA 0.239 4.766 4.527 0.000 0.000 0.365 2110 F C 0.622 176.422 175.800 -0.001 0.000 1.222 2110 F CA -1.451 56.555 58.000 0.010 0.000 1.315 2110 F CB -0.801 38.209 39.000 0.016 0.000 1.711 2110 F HN 0.112 nan 8.300 nan 0.000 0.651 2111 C N 4.218 123.413 119.300 -0.175 0.000 2.538 2111 C HA -0.047 4.413 4.460 0.000 0.000 0.408 2111 C C 1.838 176.620 174.990 -0.347 0.000 1.421 2111 C CA -0.125 58.775 59.018 -0.196 0.000 1.642 2111 C CB -0.453 27.196 27.740 -0.153 0.000 2.553 2111 C HN 0.864 nan 8.230 nan 0.000 0.604 2112 E N 2.565 122.631 120.200 -0.224 0.000 2.401 2112 E HA -0.124 4.226 4.350 0.000 0.000 0.199 2112 E C 1.320 177.802 176.600 -0.196 0.000 1.023 2112 E CA 0.727 56.999 56.400 -0.213 0.000 0.859 2112 E CB 0.065 29.706 29.700 -0.097 0.000 0.780 2112 E HN 0.615 nan 8.360 nan 0.000 0.523 2113 K N 1.782 122.074 120.400 -0.180 0.000 2.487 2113 K HA 0.019 4.339 4.320 0.000 0.000 0.192 2113 K C 0.588 177.093 176.600 -0.158 0.000 1.027 2113 K CA -0.019 56.185 56.287 -0.138 0.000 1.054 2113 K CB -0.453 31.982 32.500 -0.109 0.000 0.824 2113 K HN 0.312 nan 8.250 nan 0.000 0.510 2114 N N 0.806 119.358 118.700 -0.247 0.000 2.415 2114 N HA -0.078 4.662 4.740 0.000 0.000 0.248 2114 N C -0.189 175.238 175.510 -0.138 0.000 1.271 2114 N CA 0.246 53.161 53.050 -0.226 0.000 0.913 2114 N CB 1.096 39.344 38.487 -0.399 0.000 1.129 2114 N HN -0.187 nan 8.380 nan 0.000 0.444 2115 D N 0.622 120.980 120.400 -0.070 0.000 2.402 2115 D HA 0.201 4.841 4.640 0.000 0.000 0.216 2115 D C 1.272 177.567 176.300 -0.008 0.000 1.128 2115 D CA -0.088 53.890 54.000 -0.037 0.000 0.833 2115 D CB 0.053 40.837 40.800 -0.027 0.000 0.971 2115 D HN 0.517 nan 8.370 nan 0.000 0.503 2116 M N -0.938 118.677 119.600 0.024 0.000 2.296 2116 M HA 0.102 4.582 4.480 0.000 0.000 0.265 2116 M C 1.913 178.264 176.300 0.086 0.000 1.064 2116 M CA 1.297 56.646 55.300 0.082 0.000 1.109 2116 M CB 0.212 32.935 32.600 0.206 0.000 1.396 2116 M HN 0.166 nan 8.290 nan 0.000 0.430 2117 G N -0.339 108.511 108.800 0.083 0.000 2.508 2117 G HA2 0.054 4.014 3.960 0.000 0.000 0.212 2117 G HA3 0.054 4.014 3.960 0.000 0.000 0.212 2117 G C 1.578 176.496 174.900 0.031 0.000 1.206 2117 G CA 0.612 45.759 45.100 0.078 0.000 0.822 2117 G HN 0.466 nan 8.290 nan 0.000 0.550 2118 A N -0.222 122.604 122.820 0.010 0.000 1.930 2118 A HA 0.148 4.468 4.320 0.000 0.000 0.217 2118 A C 1.516 179.089 177.584 -0.018 0.000 1.175 2118 A CA 1.670 53.705 52.037 -0.003 0.000 0.627 2118 A CB -0.234 18.761 19.000 -0.009 0.000 0.815 2118 A HN 0.201 nan 8.150 nan 0.000 0.443 2119 K N -0.378 120.006 120.400 -0.025 0.000 3.148 2119 K HA -0.163 4.157 4.320 0.000 0.000 0.267 2119 K C 0.989 177.546 176.600 -0.072 0.000 0.996 2119 K CA 1.117 57.373 56.287 -0.053 0.000 0.737 2119 K CB -2.590 29.873 32.500 -0.062 0.000 1.308 2119 K HN 0.906 nan 8.250 nan 0.000 0.470 2120 T N -3.656 110.875 114.554 -0.038 0.000 2.904 2120 T HA 0.019 4.370 4.350 0.000 0.000 0.267 2120 T C 1.565 176.271 174.700 0.010 0.000 1.059 2120 T CA 1.462 63.553 62.100 -0.015 0.000 1.137 2120 T CB -0.014 68.865 68.868 0.018 0.000 0.879 2120 T HN 0.859 nan 8.240 nan 0.000 0.467 2121 G N 1.165 109.974 108.800 0.016 0.000 2.168 2121 G HA2 -0.199 3.761 3.960 0.000 0.000 0.257 2121 G HA3 -0.199 3.761 3.960 0.000 0.000 0.257 2121 G C -0.095 174.936 174.900 0.219 0.000 0.997 2121 G CA 0.655 45.816 45.100 0.100 0.000 0.708 2121 G HN 0.688 nan 8.290 nan 0.000 0.520 2122 L N -0.970 120.328 121.223 0.125 0.000 2.257 2122 L HA 0.724 5.064 4.340 0.000 0.000 0.257 2122 L C 0.861 177.738 176.870 0.011 0.000 1.033 2122 L CA -1.737 53.149 54.840 0.076 0.000 0.835 2122 L CB 1.097 43.210 42.059 0.090 0.000 1.398 2122 L HN -0.056 nan 8.230 nan 0.000 0.429 2123 M N 0.186 119.772 119.600 -0.025 0.000 2.036 2123 M HA 0.190 4.671 4.480 0.000 0.000 0.276 2123 M C 1.323 177.612 176.300 -0.020 0.000 1.262 2123 M CA 0.144 55.421 55.300 -0.038 0.000 1.097 2123 M CB 0.003 32.566 32.600 -0.063 0.000 1.386 2123 M HN 0.813 nan 8.290 nan 0.000 0.482 2124 A N 0.761 123.569 122.820 -0.020 0.000 1.948 2124 A HA -0.178 4.143 4.320 0.000 0.000 0.220 2124 A C 1.192 178.771 177.584 -0.008 0.000 1.177 2124 A CA 2.138 54.167 52.037 -0.014 0.000 0.636 2124 A CB -0.960 18.032 19.000 -0.013 0.000 0.815 2124 A HN 0.865 nan 8.150 nan 0.000 0.449 2125 D N -2.023 118.371 120.400 -0.009 0.000 2.325 2125 D HA 0.065 4.705 4.640 0.000 0.000 0.234 2125 D C 0.562 176.860 176.300 -0.003 0.000 1.122 2125 D CA 0.123 54.119 54.000 -0.006 0.000 0.850 2125 D CB -0.234 40.562 40.800 -0.008 0.000 0.921 2125 D HN 0.211 nan 8.370 nan 0.000 0.513 2126 M N 0.077 119.678 119.600 0.001 0.000 2.751 2126 M HA -0.163 4.317 4.480 0.000 0.000 0.199 2126 M C -0.271 176.034 176.300 0.008 0.000 0.550 2126 M CA 0.965 56.273 55.300 0.014 0.000 0.640 2126 M CB -3.039 29.573 32.600 0.020 0.000 2.351 2126 M HN 0.467 nan 8.290 nan 0.000 0.613 2127 T N -3.761 110.785 114.554 -0.014 0.000 2.907 2127 T HA 0.749 5.099 4.350 0.000 0.000 0.290 2127 T C -0.035 174.627 174.700 -0.062 0.000 1.066 2127 T CA -0.207 61.873 62.100 -0.033 0.000 1.012 2127 T CB 2.964 71.811 68.868 -0.035 0.000 1.184 2127 T HN 0.226 nan 8.240 nan 0.000 0.522 2128 S N -0.686 114.961 115.700 -0.089 0.000 2.537 2128 S HA 0.472 4.942 4.470 0.000 0.000 0.301 2128 S C 0.706 175.215 174.600 -0.152 0.000 1.092 2128 S CA -0.938 57.184 58.200 -0.130 0.000 1.048 2128 S CB 0.975 64.096 63.200 -0.132 0.000 1.053 2128 S HN 0.660 nan 8.310 nan 0.000 0.501 2129 R N 2.248 122.575 120.500 -0.287 0.000 2.312 2129 R HA 0.225 4.565 4.340 0.000 0.000 0.205 2129 R C -0.571 175.605 176.300 -0.205 0.000 0.904 2129 R CA 0.260 56.184 56.100 -0.294 0.000 1.052 2129 R CB -0.277 29.767 30.300 -0.426 0.000 1.014 2129 R HN 0.592 nan 8.270 nan 0.000 0.503 2130 F N 0.671 120.596 119.950 -0.043 0.000 2.420 2130 F HA 0.322 4.849 4.527 0.000 0.000 0.342 2130 F C 0.423 176.190 175.800 -0.054 0.000 1.113 2130 F CA -0.637 57.336 58.000 -0.045 0.000 1.059 2130 F CB 1.942 40.906 39.000 -0.059 0.000 1.128 2130 F HN -0.312 nan 8.300 nan 0.000 0.475 2131 T N 2.227 116.888 114.554 0.178 0.000 2.916 2131 T HA 0.410 4.760 4.350 0.000 0.000 0.298 2131 T C -1.647 173.107 174.700 0.091 0.000 1.031 2131 T CA -0.634 61.523 62.100 0.096 0.000 0.993 2131 T CB 1.681 70.589 68.868 0.068 0.000 1.045 2131 T HN 0.726 nan 8.240 nan 0.000 0.454 2132 C N 4.189 123.558 119.300 0.114 0.000 2.607 2132 C HA 0.595 5.055 4.460 0.000 0.000 0.350 2132 C C 0.304 175.437 174.990 0.238 0.000 1.101 2132 C CA -0.522 58.596 59.018 0.167 0.000 1.282 2132 C CB -0.352 27.491 27.740 0.171 0.000 1.825 2132 C HN 1.099 nan 8.230 nan 0.000 0.460 2133 R N 3.977 124.572 120.500 0.159 0.000 3.422 2133 R HA -0.175 4.165 4.340 0.000 0.000 0.267 2133 R C 1.111 177.464 176.300 0.089 0.000 1.074 2133 R CA 1.081 57.245 56.100 0.108 0.000 0.718 2133 R CB -1.824 28.531 30.300 0.093 0.000 1.157 2133 R HN 2.087 nan 8.270 nan 0.000 0.440 2134 G N -0.286 108.561 108.800 0.079 0.000 2.166 2134 G HA2 -0.380 3.580 3.960 0.000 0.000 0.260 2134 G HA3 -0.380 3.580 3.960 0.000 0.000 0.260 2134 G C -0.046 174.896 174.900 0.070 0.000 0.986 2134 G CA 1.080 46.215 45.100 0.059 0.000 0.683 2134 G HN 0.421 nan 8.290 nan 0.000 0.527 2135 K N 0.869 121.334 120.400 0.109 0.000 2.324 2135 K HA 0.499 4.819 4.320 0.000 0.000 0.253 2135 K C -2.660 173.980 176.600 0.066 0.000 0.932 2135 K CA -2.162 54.190 56.287 0.108 0.000 0.799 2135 K CB 2.959 35.579 32.500 0.200 0.000 1.154 2135 K HN -0.005 nan 8.250 nan 0.000 0.425 2136 P HA 0.135 nan 4.420 nan 0.000 0.276 2136 P C -0.644 176.555 177.300 -0.168 0.000 1.235 2136 P CA -0.171 62.880 63.100 -0.082 0.000 0.772 2136 P CB 0.574 32.190 31.700 -0.141 0.000 0.871 2137 I N 4.259 124.769 120.570 -0.100 0.000 2.359 2137 I HA 0.272 4.442 4.170 0.000 0.000 0.294 2137 I C 0.746 176.820 176.117 -0.072 0.000 0.987 2137 I CA -1.236 59.991 61.300 -0.121 0.000 1.225 2137 I CB -0.008 37.927 38.000 -0.109 0.000 1.366 2137 I HN 0.337 nan 8.210 nan 0.000 0.466 2138 Y N 4.983 125.301 120.300 0.029 0.000 2.357 2138 Y HA 0.113 4.663 4.550 0.000 0.000 0.340 2138 Y C 1.119 177.061 175.900 0.071 0.000 1.260 2138 Y CA -0.058 58.059 58.100 0.027 0.000 1.425 2138 Y CB 0.587 39.017 38.460 -0.049 0.000 1.326 2138 Y HN 0.637 nan 8.280 nan 0.000 0.580 2139 N N 0.970 119.820 118.700 0.250 0.000 2.563 2139 N HA 0.482 5.222 4.740 0.000 0.000 0.288 2139 N C -1.944 173.606 175.510 0.066 0.000 1.246 2139 N CA -0.895 52.279 53.050 0.206 0.000 0.946 2139 N CB 1.024 39.630 38.487 0.198 0.000 1.213 2139 N HN 0.530 nan 8.380 nan 0.000 0.578 2140 L N 0.074 121.312 121.223 0.025 0.000 2.319 2140 L HA 0.473 4.813 4.340 0.000 0.000 0.281 2140 L C -0.154 176.689 176.870 -0.044 0.000 1.005 2140 L CA -0.188 54.617 54.840 -0.060 0.000 0.828 2140 L CB 0.257 42.242 42.059 -0.123 0.000 1.227 2140 L HN 0.726 nan 8.230 nan 0.000 0.415 2141 M N 5.104 124.675 119.600 -0.048 0.000 2.253 2141 M HA -0.234 4.246 4.480 0.000 0.000 0.199 2141 M C 1.190 177.507 176.300 0.028 0.000 0.342 2141 M CA 1.118 56.414 55.300 -0.007 0.000 0.417 2141 M CB -2.101 30.499 32.600 -0.000 0.000 1.338 2141 M HN 1.071 nan 8.290 nan 0.000 0.920 2142 G N -0.963 107.846 108.800 0.015 0.000 2.168 2142 G HA2 -0.380 3.581 3.960 0.000 0.000 0.257 2142 G HA3 -0.380 3.581 3.960 0.000 0.000 0.257 2142 G C 0.453 175.372 174.900 0.032 0.000 0.997 2142 G CA 1.691 46.798 45.100 0.012 0.000 0.708 2142 G HN 0.865 nan 8.290 nan 0.000 0.520 2143 T N -4.633 109.956 114.554 0.059 0.000 3.409 2143 T HA 0.579 4.929 4.350 0.000 0.000 0.188 2143 T C 0.792 175.564 174.700 0.120 0.000 0.929 2143 T CA 1.021 63.170 62.100 0.082 0.000 1.184 2143 T CB 0.457 69.387 68.868 0.104 0.000 1.570 2143 T HN 1.544 nan 8.240 nan 0.000 0.367 2144 S N 1.281 117.029 115.700 0.079 0.000 3.392 2144 S HA -0.047 4.423 4.470 0.000 0.000 0.693 2144 S C 0.516 175.163 174.600 0.080 0.000 0.620 2144 S CA 0.457 58.697 58.200 0.066 0.000 1.452 2144 S CB -1.384 61.971 63.200 0.259 0.000 0.988 2144 S HN 1.280 nan 8.310 nan 0.000 0.932 2145 T N -1.084 113.453 114.554 -0.028 0.000 3.040 2145 T HA 0.334 4.684 4.350 0.000 0.000 0.266 2145 T C 0.471 175.373 174.700 0.335 0.000 1.005 2145 T CA -0.198 61.964 62.100 0.103 0.000 0.906 2145 T CB -0.115 68.777 68.868 0.040 0.000 1.082 2145 T HN 0.579 nan 8.240 nan 0.000 0.531 2146 F N 2.979 123.003 119.950 0.123 0.000 2.859 2146 F HA 0.383 4.910 4.527 0.000 0.000 0.315 2146 F C 0.970 176.763 175.800 -0.011 0.000 1.207 2146 F CA -0.541 57.529 58.000 0.117 0.000 1.370 2146 F CB -0.018 39.021 39.000 0.066 0.000 1.314 2146 F HN 0.192 nan 8.300 nan 0.000 0.555 2147 T N -1.558 113.120 114.554 0.207 0.000 2.932 2147 T HA 0.140 4.490 4.350 0.000 0.000 0.318 2147 T C 0.614 175.359 174.700 0.074 0.000 1.265 2147 T CA -0.495 61.614 62.100 0.014 0.000 1.036 2147 T CB 1.694 70.526 68.868 -0.061 0.000 1.209 2147 T HN 0.316 nan 8.240 nan 0.000 0.484 2148 E N 1.213 121.389 120.200 -0.040 0.000 2.204 2148 E HA 0.023 4.373 4.350 0.000 0.000 0.194 2148 E C -0.604 175.945 176.600 -0.084 0.000 0.989 2148 E CA 1.096 57.490 56.400 -0.010 0.000 0.824 2148 E CB 0.177 29.893 29.700 0.027 0.000 0.756 2148 E HN 0.521 nan 8.360 nan 0.000 0.477 2149 Y N -1.474 118.906 120.300 0.133 0.000 2.492 2149 Y HA 0.382 4.932 4.550 0.000 0.000 0.346 2149 Y C 0.002 176.052 175.900 0.251 0.000 0.997 2149 Y CA -0.711 57.486 58.100 0.163 0.000 1.025 2149 Y CB 2.506 41.043 38.460 0.128 0.000 1.263 2149 Y HN -0.322 nan 8.280 nan 0.000 0.454 2150 T N 1.348 116.121 114.554 0.364 0.000 2.841 2150 T HA 0.786 5.136 4.350 0.000 0.000 0.296 2150 T C -2.024 172.774 174.700 0.164 0.000 1.166 2150 T CA -0.547 61.771 62.100 0.364 0.000 1.007 2150 T CB 1.247 70.317 68.868 0.337 0.000 1.253 2150 T HN 0.338 nan 8.240 nan 0.000 0.511 2151 V N 3.172 123.091 119.914 0.009 0.000 2.531 2151 V HA 0.782 4.903 4.120 0.000 0.000 0.301 2151 V C -0.121 175.940 176.094 -0.056 0.000 1.034 2151 V CA -0.650 61.621 62.300 -0.048 0.000 0.865 2151 V CB 1.309 33.048 31.823 -0.140 0.000 0.995 2151 V HN 0.879 nan 8.190 nan 0.000 0.424 2152 V N 1.712 121.616 119.914 -0.017 0.000 3.040 2152 V HA 1.027 5.147 4.120 0.000 0.000 0.312 2152 V C 0.213 176.301 176.094 -0.010 0.000 1.115 2152 V CA -0.879 61.413 62.300 -0.013 0.000 0.998 2152 V CB 1.838 33.665 31.823 0.007 0.000 1.042 2152 V HN 1.158 nan 8.190 nan 0.000 0.433 2153 A N 1.685 124.498 122.820 -0.012 0.000 2.425 2153 A HA 0.418 4.739 4.320 0.000 0.000 0.242 2153 A C 0.969 178.558 177.584 0.009 0.000 1.077 2153 A CA 0.422 52.459 52.037 0.000 0.000 0.781 2153 A CB 0.028 19.020 19.000 -0.014 0.000 1.020 2153 A HN 1.296 nan 8.150 nan 0.000 0.494 2154 D N 0.643 121.063 120.400 0.034 0.000 2.378 2154 D HA -0.145 4.495 4.640 0.000 0.000 0.227 2154 D C 0.940 177.245 176.300 0.009 0.000 1.012 2154 D CA 1.203 55.224 54.000 0.035 0.000 0.905 2154 D CB -0.500 40.348 40.800 0.080 0.000 0.895 2154 D HN 0.625 nan 8.370 nan 0.000 0.532 2155 I N -4.174 116.388 120.570 -0.013 0.000 3.883 2155 I HA 0.464 4.634 4.170 0.000 0.000 0.326 2155 I C 1.106 177.198 176.117 -0.042 0.000 1.283 2155 I CA -0.316 60.965 61.300 -0.032 0.000 1.161 2155 I CB 0.322 38.292 38.000 -0.051 0.000 1.012 2155 I HN -0.009 nan 8.210 nan 0.000 0.421 2156 A N 1.252 124.052 122.820 -0.034 0.000 2.793 2156 A HA 0.665 4.985 4.320 0.000 0.000 0.301 2156 A C -0.184 177.380 177.584 -0.033 0.000 1.172 2156 A CA -0.299 51.709 52.037 -0.048 0.000 0.973 2156 A CB 0.225 19.199 19.000 -0.042 0.000 1.164 2156 A HN 0.251 nan 8.150 nan 0.000 0.542 2157 V N -0.314 119.586 119.914 -0.022 0.000 2.888 2157 V HA 0.808 4.928 4.120 0.000 0.000 0.309 2157 V C -1.153 174.939 176.094 -0.004 0.000 1.114 2157 V CA -0.122 62.173 62.300 -0.009 0.000 0.940 2157 V CB 1.984 33.810 31.823 0.004 0.000 1.021 2157 V HN 0.839 nan 8.190 nan 0.000 0.426 2158 A N 5.681 128.503 122.820 0.003 0.000 2.311 2158 A HA 0.668 4.988 4.320 0.000 0.000 0.306 2158 A C -0.476 177.114 177.584 0.011 0.000 1.189 2158 A CA -0.687 51.357 52.037 0.011 0.000 0.791 2158 A CB 1.018 20.032 19.000 0.023 0.000 1.172 2158 A HN 0.901 nan 8.150 nan 0.000 0.481 2159 K N 3.273 123.679 120.400 0.009 0.000 2.350 2159 K HA 0.528 4.848 4.320 0.000 0.000 0.279 2159 K C -0.302 176.300 176.600 0.003 0.000 1.027 2159 K CA -0.089 56.202 56.287 0.006 0.000 0.969 2159 K CB 0.275 32.779 32.500 0.006 0.000 0.954 2159 K HN 0.756 nan 8.250 nan 0.000 0.474 2160 I N -0.954 119.615 120.570 -0.001 0.000 3.239 2160 I HA 0.355 4.525 4.170 0.000 0.000 0.314 2160 I C -0.463 175.645 176.117 -0.013 0.000 1.126 2160 I CA -1.232 60.064 61.300 -0.007 0.000 0.973 2160 I CB 1.517 39.514 38.000 -0.005 0.000 1.252 2160 I HN 0.521 nan 8.210 nan 0.000 0.463 2161 D N 2.772 123.159 120.400 -0.022 0.000 2.531 2161 D HA 0.053 4.693 4.640 0.000 0.000 0.239 2161 D C -1.722 174.559 176.300 -0.031 0.000 1.144 2161 D CA -0.856 53.126 54.000 -0.031 0.000 0.869 2161 D CB 1.520 42.292 40.800 -0.047 0.000 1.160 2161 D HN 0.327 nan 8.370 nan 0.000 0.484 2162 P HA -0.136 nan 4.420 nan 0.000 0.218 2162 P C 0.395 177.675 177.300 -0.033 0.000 1.146 2162 P CA 1.457 64.542 63.100 -0.025 0.000 0.813 2162 P CB 0.215 31.902 31.700 -0.020 0.000 0.778 2163 K N -1.146 119.227 120.400 -0.045 0.000 2.437 2163 K HA 0.339 4.659 4.320 0.000 0.000 0.205 2163 K C 0.484 177.037 176.600 -0.078 0.000 1.026 2163 K CA -0.405 55.847 56.287 -0.057 0.000 1.153 2163 K CB 0.308 32.771 32.500 -0.062 0.000 0.863 2163 K HN 0.036 nan 8.250 nan 0.000 0.502 2164 A N 3.083 125.861 122.820 -0.069 0.000 2.540 2164 A HA 0.154 4.474 4.320 0.000 0.000 0.239 2164 A C -2.256 175.293 177.584 -0.058 0.000 1.061 2164 A CA -0.883 51.108 52.037 -0.078 0.000 0.758 2164 A CB -0.216 18.766 19.000 -0.030 0.000 0.991 2164 A HN 0.007 nan 8.150 nan 0.000 0.502 2165 P HA 0.122 nan 4.420 nan 0.000 0.269 2165 P C 0.820 178.140 177.300 0.034 0.000 1.215 2165 P CA -0.349 62.740 63.100 -0.019 0.000 0.780 2165 P CB 0.420 32.107 31.700 -0.022 0.000 0.898 2166 L N 1.050 122.276 121.223 0.005 0.000 2.187 2166 L HA -0.202 4.138 4.340 0.000 0.000 0.213 2166 L C 1.647 178.507 176.870 -0.018 0.000 1.100 2166 L CA 1.629 56.458 54.840 -0.019 0.000 0.765 2166 L CB -0.684 41.353 42.059 -0.037 0.000 0.904 2166 L HN 0.427 nan 8.230 nan 0.000 0.437 2167 E N -0.528 119.683 120.200 0.018 0.000 2.472 2167 E HA -0.103 4.247 4.350 0.000 0.000 0.200 2167 E C 2.088 178.624 176.600 -0.107 0.000 1.046 2167 E CA 0.461 56.839 56.400 -0.036 0.000 0.871 2167 E CB -0.059 29.630 29.700 -0.019 0.000 0.806 2167 E HN 0.256 nan 8.360 nan 0.000 0.533 2168 S N 0.091 115.793 115.700 0.003 0.000 2.469 2168 S HA -0.176 4.294 4.470 0.000 0.000 0.238 2168 S C 2.068 176.622 174.600 -0.077 0.000 0.998 2168 S CA 0.992 59.167 58.200 -0.042 0.000 0.957 2168 S CB -0.655 62.594 63.200 0.082 0.000 0.764 2168 S HN 0.708 nan 8.310 nan 0.000 0.514 2169 C N 1.312 120.574 119.300 -0.064 0.000 2.410 2169 C HA -0.004 4.456 4.460 0.000 0.000 0.281 2169 C C 2.186 177.159 174.990 -0.029 0.000 1.318 2169 C CA 0.121 59.110 59.018 -0.048 0.000 1.776 2169 C CB -1.876 25.822 27.740 -0.070 0.000 1.942 2169 C HN 0.500 nan 8.230 nan 0.000 0.508 2170 L N 0.633 121.818 121.223 -0.063 0.000 2.191 2170 L HA -0.052 4.288 4.340 0.000 0.000 0.212 2170 L C 2.706 179.627 176.870 0.086 0.000 1.103 2170 L CA 1.357 56.194 54.840 -0.006 0.000 0.769 2170 L CB -0.592 41.437 42.059 -0.049 0.000 0.908 2170 L HN 0.343 nan 8.230 nan 0.000 0.438 2171 I N 0.163 120.746 120.570 0.022 0.000 2.756 2171 I HA -0.150 4.020 4.170 0.000 0.000 0.262 2171 I C 2.449 178.715 176.117 0.249 0.000 1.225 2171 I CA 0.943 62.299 61.300 0.093 0.000 1.472 2171 I CB -0.588 37.393 38.000 -0.032 0.000 1.094 2171 I HN 0.253 nan 8.210 nan 0.000 0.454 2172 G N -0.675 108.255 108.800 0.218 0.000 2.509 2172 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 2172 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 2172 G C 1.215 176.427 174.900 0.520 0.000 1.124 2172 G CA 1.028 46.301 45.100 0.288 0.000 0.776 2172 G HN 0.524 nan 8.290 nan 0.000 0.547 2173 C N -2.998 116.610 119.300 0.513 0.000 3.322 2173 C HA 0.381 4.841 4.460 0.000 0.000 0.233 2173 C C 2.858 178.102 174.990 0.424 0.000 2.488 2173 C CA 1.440 60.849 59.018 0.651 0.000 1.184 2173 C CB -0.633 27.323 27.740 0.360 0.000 1.410 2173 C HN 0.385 nan 8.230 nan 0.000 0.670 2174 G N 0.533 109.477 108.800 0.240 0.000 2.529 2174 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 2174 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 2174 G C 1.321 176.338 174.900 0.194 0.000 1.177 2174 G CA 1.727 46.941 45.100 0.190 0.000 0.773 2174 G HN 0.617 nan 8.290 nan 0.000 0.573 2175 F N 2.178 122.170 119.950 0.069 0.000 2.128 2175 F HA 0.202 4.729 4.527 0.000 0.000 0.295 2175 F C 2.854 178.691 175.800 0.062 0.000 1.100 2175 F CA 1.319 59.340 58.000 0.035 0.000 1.260 2175 F CB -0.304 38.645 39.000 -0.085 0.000 1.009 2175 F HN 0.230 nan 8.300 nan 0.000 0.476 2176 A N -0.528 122.341 122.820 0.082 0.000 1.933 2176 A HA -0.169 4.151 4.320 0.000 0.000 0.218 2176 A C 2.165 179.760 177.584 0.018 0.000 1.175 2176 A CA 2.276 54.249 52.037 -0.107 0.000 0.628 2176 A CB -1.403 17.233 19.000 -0.607 0.000 0.814 2176 A HN 0.444 nan 8.150 nan 0.000 0.444 2177 T N -0.321 114.274 114.554 0.068 0.000 2.643 2177 T HA -0.043 4.308 4.350 0.000 0.000 0.264 2177 T C 2.017 176.744 174.700 0.045 0.000 1.045 2177 T CA 1.630 63.803 62.100 0.123 0.000 1.155 2177 T CB -0.776 68.233 68.868 0.235 0.000 0.863 2177 T HN 0.569 nan 8.240 nan 0.000 0.420 2178 G N -0.331 108.475 108.800 0.009 0.000 2.404 2178 G HA2 -0.217 3.743 3.960 0.000 0.000 0.215 2178 G HA3 -0.217 3.743 3.960 0.000 0.000 0.215 2178 G C 1.426 176.266 174.900 -0.100 0.000 1.174 2178 G CA 0.699 45.780 45.100 -0.032 0.000 0.780 2178 G HN 0.509 nan 8.290 nan 0.000 0.537 2179 Y N 1.842 121.927 120.300 -0.357 0.000 2.145 2179 Y HA -0.048 4.502 4.550 0.000 0.000 0.286 2179 Y C 2.819 178.634 175.900 -0.142 0.000 1.145 2179 Y CA 1.845 59.727 58.100 -0.364 0.000 1.148 2179 Y CB -0.528 37.497 38.460 -0.725 0.000 0.981 2179 Y HN 0.128 nan 8.280 nan 0.000 0.507 2180 G N -0.523 108.321 108.800 0.073 0.000 2.422 2180 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 2180 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 2180 G C 1.801 176.529 174.900 -0.286 0.000 1.140 2180 G CA 0.800 45.768 45.100 -0.219 0.000 0.775 2180 G HN 0.606 nan 8.290 nan 0.000 0.545 2181 A N 1.025 123.745 122.820 -0.166 0.000 1.940 2181 A HA 0.245 4.565 4.320 0.000 0.000 0.219 2181 A C 2.742 180.218 177.584 -0.179 0.000 1.176 2181 A CA 2.300 54.256 52.037 -0.134 0.000 0.631 2181 A CB -0.582 18.382 19.000 -0.060 0.000 0.814 2181 A HN 0.692 nan 8.150 nan 0.000 0.446 2182 A N -0.980 121.699 122.820 -0.235 0.000 1.878 2182 A HA 0.159 4.479 4.320 0.000 0.000 0.213 2182 A C 2.180 179.552 177.584 -0.352 0.000 1.192 2182 A CA 1.471 53.340 52.037 -0.279 0.000 0.619 2182 A CB -0.704 18.125 19.000 -0.286 0.000 0.837 2182 A HN 0.346 nan 8.150 nan 0.000 0.446 2183 V N 0.650 120.309 119.914 -0.425 0.000 2.488 2183 V HA -0.192 3.928 4.120 0.000 0.000 0.246 2183 V C 1.969 177.870 176.094 -0.322 0.000 1.046 2183 V CA 2.237 64.300 62.300 -0.394 0.000 1.053 2183 V CB -0.940 30.603 31.823 -0.466 0.000 0.679 2183 V HN 0.639 nan 8.190 nan 0.000 0.458 2184 N N -0.875 117.608 118.700 -0.361 0.000 2.428 2184 N HA -0.051 4.689 4.740 0.000 0.000 0.181 2184 N C 1.768 177.142 175.510 -0.226 0.000 1.028 2184 N CA 1.176 54.032 53.050 -0.324 0.000 0.877 2184 N CB -0.006 38.191 38.487 -0.484 0.000 1.064 2184 N HN 0.309 nan 8.380 nan 0.000 0.434 2185 T N 0.640 115.069 114.554 -0.208 0.000 2.735 2185 T HA 0.048 4.398 4.350 0.000 0.000 0.256 2185 T C 2.102 176.745 174.700 -0.095 0.000 1.042 2185 T CA 1.127 63.149 62.100 -0.130 0.000 1.147 2185 T CB -0.366 68.440 68.868 -0.104 0.000 0.865 2185 T HN 0.228 nan 8.240 nan 0.000 0.421 2186 A N 0.973 123.725 122.820 -0.113 0.000 1.929 2186 A HA 0.073 4.393 4.320 0.000 0.000 0.216 2186 A C 0.991 178.475 177.584 -0.166 0.000 1.176 2186 A CA 1.003 52.999 52.037 -0.069 0.000 0.628 2186 A CB -0.409 18.532 19.000 -0.098 0.000 0.816 2186 A HN 0.566 nan 8.150 nan 0.000 0.444 2187 K N -0.930 119.310 120.400 -0.267 0.000 3.239 2187 K HA -0.103 4.217 4.320 0.000 0.000 0.270 2187 K C -0.557 175.745 176.600 -0.497 0.000 1.083 2187 K CA 0.310 56.434 56.287 -0.273 0.000 0.782 2187 K CB -2.180 30.247 32.500 -0.123 0.000 1.290 2187 K HN 0.260 nan 8.250 nan 0.000 0.474 2188 V N 1.566 121.054 119.914 -0.710 0.000 2.694 2188 V HA -0.030 4.091 4.120 0.000 0.000 0.306 2188 V C 1.314 177.152 176.094 -0.426 0.000 1.054 2188 V CA 0.918 62.660 62.300 -0.930 0.000 1.161 2188 V CB 0.919 32.387 31.823 -0.591 0.000 0.916 2188 V HN 0.515 nan 8.190 nan 0.000 0.490 2189 T N 3.907 118.315 114.554 -0.244 0.000 2.945 2189 T HA 0.577 4.927 4.350 0.000 0.000 0.286 2189 T C -2.825 171.865 174.700 -0.017 0.000 1.025 2189 T CA -2.520 59.547 62.100 -0.054 0.000 1.039 2189 T CB 1.801 70.702 68.868 0.055 0.000 1.068 2189 T HN 0.415 nan 8.240 nan 0.000 0.497 2190 P HA 0.299 nan 4.420 nan 0.000 0.264 2190 P C 1.117 178.425 177.300 0.014 0.000 1.193 2190 P CA 1.080 64.178 63.100 -0.003 0.000 0.763 2190 P CB 0.221 31.919 31.700 -0.003 0.000 0.810 2191 G N 1.831 110.638 108.800 0.012 0.000 2.179 2191 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 2191 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 2191 G C 0.453 175.369 174.900 0.027 0.000 0.977 2191 G CA 0.371 45.479 45.100 0.013 0.000 0.641 2191 G HN 0.769 nan 8.290 nan 0.000 0.533 2192 S N -0.174 115.561 115.700 0.060 0.000 2.624 2192 S HA 0.677 5.147 4.470 0.000 0.000 0.263 2192 S C 0.329 174.978 174.600 0.082 0.000 1.287 2192 S CA 0.638 58.903 58.200 0.109 0.000 0.990 2192 S CB 1.574 64.950 63.200 0.294 0.000 0.950 2192 S HN 1.589 nan 8.310 nan 0.000 0.561 2193 T N -1.419 113.182 114.554 0.079 0.000 2.797 2193 T HA 0.668 5.018 4.350 0.000 0.000 0.279 2193 T C -0.299 174.458 174.700 0.094 0.000 0.991 2193 T CA -0.808 61.320 62.100 0.046 0.000 0.979 2193 T CB -0.049 68.819 68.868 -0.001 0.000 0.943 2193 T HN 0.754 nan 8.240 nan 0.000 0.444 2194 C N 2.090 121.430 119.300 0.067 0.000 2.779 2194 C HA 1.007 5.467 4.460 0.000 0.000 0.314 2194 C C 0.199 175.201 174.990 0.020 0.000 1.231 2194 C CA -0.765 58.304 59.018 0.085 0.000 1.652 2194 C CB 1.194 28.973 27.740 0.065 0.000 2.198 2194 C HN 1.258 nan 8.230 nan 0.000 0.483 2195 A N 1.027 123.873 122.820 0.043 0.000 2.398 2195 A HA 0.791 5.112 4.320 0.000 0.000 0.301 2195 A C -1.424 176.152 177.584 -0.013 0.000 1.041 2195 A CA -0.278 51.729 52.037 -0.051 0.000 0.711 2195 A CB 1.063 20.065 19.000 0.004 0.000 1.240 2195 A HN 0.733 nan 8.150 nan 0.000 0.420 2196 V N 2.581 122.393 119.914 -0.170 0.000 2.444 2196 V HA 0.498 4.618 4.120 0.000 0.000 0.294 2196 V C -1.260 174.733 176.094 -0.169 0.000 1.022 2196 V CA -0.279 61.989 62.300 -0.054 0.000 0.850 2196 V CB 1.051 32.829 31.823 -0.076 0.000 0.992 2196 V HN 0.701 nan 8.190 nan 0.000 0.426 2197 F N 2.562 122.519 119.950 0.011 0.000 2.404 2197 F HA 0.741 5.268 4.527 0.000 0.000 0.354 2197 F C 0.847 176.679 175.800 0.054 0.000 1.122 2197 F CA -0.420 57.601 58.000 0.034 0.000 1.080 2197 F CB 1.675 40.699 39.000 0.040 0.000 1.131 2197 F HN 0.740 nan 8.300 nan 0.000 0.471 2198 G N 4.179 113.098 108.800 0.199 0.000 2.860 2198 G HA2 -0.147 3.813 3.960 0.000 0.000 0.547 2198 G HA3 -0.147 3.813 3.960 0.000 0.000 0.547 2198 G C -0.780 174.216 174.900 0.161 0.000 1.103 2198 G CA -1.078 44.135 45.100 0.188 0.000 1.126 2198 G HN 0.689 nan 8.290 nan 0.000 0.490 2199 L N 2.533 123.867 121.223 0.186 0.000 2.648 2199 L HA 0.476 4.816 4.340 0.000 0.000 0.238 2199 L C 1.466 178.600 176.870 0.439 0.000 1.316 2199 L CA 0.242 55.211 54.840 0.215 0.000 1.241 2199 L CB -0.320 41.837 42.059 0.163 0.000 1.499 2199 L HN 0.622 nan 8.230 nan 0.000 0.411 2200 G N -0.516 108.486 108.800 0.338 0.000 2.857 2200 G HA2 0.421 4.381 3.960 0.000 0.000 0.217 2200 G HA3 0.421 4.381 3.960 0.000 0.000 0.217 2200 G C 0.946 176.027 174.900 0.301 0.000 1.357 2200 G CA 0.164 45.425 45.100 0.268 0.000 1.033 2200 G HN 0.308 nan 8.290 nan 0.000 0.571 2201 G N -0.870 108.027 108.800 0.162 0.000 2.459 2201 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 2201 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 2201 G C 1.667 176.687 174.900 0.200 0.000 1.183 2201 G CA 1.663 46.852 45.100 0.148 0.000 0.776 2201 G HN 0.429 nan 8.290 nan 0.000 0.552 2202 V N 1.553 121.566 119.914 0.165 0.000 2.307 2202 V HA -0.054 4.066 4.120 0.000 0.000 0.245 2202 V C 3.164 179.341 176.094 0.139 0.000 1.045 2202 V CA 2.002 64.385 62.300 0.139 0.000 1.024 2202 V CB -1.116 30.781 31.823 0.123 0.000 0.651 2202 V HN 0.456 nan 8.190 nan 0.000 0.449 2203 G N -0.777 108.122 108.800 0.166 0.000 2.446 2203 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 2203 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 2203 G C 1.504 176.452 174.900 0.079 0.000 1.168 2203 G CA 0.887 46.055 45.100 0.114 0.000 0.771 2203 G HN 0.443 nan 8.290 nan 0.000 0.551 2204 F N 1.672 121.671 119.950 0.081 0.000 2.171 2204 F HA -0.033 4.494 4.527 0.000 0.000 0.300 2204 F C 3.081 178.939 175.800 0.096 0.000 1.090 2204 F CA 1.477 59.535 58.000 0.096 0.000 1.293 2204 F CB -0.124 38.945 39.000 0.116 0.000 1.013 2204 F HN 0.084 nan 8.300 nan 0.000 0.486 2205 S N -0.267 115.575 115.700 0.238 0.000 2.402 2205 S HA -0.143 4.327 4.470 0.000 0.000 0.229 2205 S C 2.311 176.894 174.600 -0.029 0.000 1.021 2205 S CA 0.908 59.138 58.200 0.049 0.000 0.974 2205 S CB -0.572 62.563 63.200 -0.108 0.000 0.800 2205 S HN 0.371 nan 8.310 nan 0.000 0.484 2206 A N 1.319 124.134 122.820 -0.007 0.000 1.929 2206 A HA 0.057 4.377 4.320 0.000 0.000 0.216 2206 A C 2.018 179.573 177.584 -0.048 0.000 1.176 2206 A CA 0.848 52.855 52.037 -0.049 0.000 0.628 2206 A CB -0.567 18.419 19.000 -0.024 0.000 0.816 2206 A HN 0.473 nan 8.150 nan 0.000 0.444 2207 I N -0.437 120.117 120.570 -0.028 0.000 2.252 2207 I HA -0.200 3.970 4.170 0.000 0.000 0.245 2207 I C 2.285 178.419 176.117 0.028 0.000 1.102 2207 I CA 1.045 62.322 61.300 -0.039 0.000 1.385 2207 I CB -0.255 37.683 38.000 -0.102 0.000 1.064 2207 I HN 0.141 nan 8.210 nan 0.000 0.414 2208 V N 1.000 120.982 119.914 0.113 0.000 2.407 2208 V HA -0.216 3.904 4.120 0.000 0.000 0.248 2208 V C 2.527 178.734 176.094 0.188 0.000 1.055 2208 V CA 2.125 64.553 62.300 0.213 0.000 1.049 2208 V CB -1.343 30.699 31.823 0.366 0.000 0.662 2208 V HN 0.584 nan 8.190 nan 0.000 0.455 2209 G N -1.339 107.485 108.800 0.041 0.000 2.402 2209 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 2209 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 2209 G C 1.718 176.474 174.900 -0.240 0.000 1.162 2209 G CA 1.193 46.105 45.100 -0.313 0.000 0.777 2209 G HN 0.534 nan 8.290 nan 0.000 0.539 2210 C N 0.073 119.286 119.300 -0.146 0.000 2.425 2210 C HA 0.070 4.530 4.460 0.000 0.000 0.277 2210 C C 2.710 177.657 174.990 -0.072 0.000 1.280 2210 C CA 1.123 60.066 59.018 -0.125 0.000 1.744 2210 C CB -0.551 27.138 27.740 -0.085 0.000 1.989 2210 C HN 0.557 nan 8.230 nan 0.000 0.491 2211 K N 1.226 121.614 120.400 -0.020 0.000 2.057 2211 K HA -0.091 4.229 4.320 0.000 0.000 0.206 2211 K C 2.139 178.754 176.600 0.026 0.000 1.050 2211 K CA 1.486 57.783 56.287 0.017 0.000 0.935 2211 K CB -0.294 32.240 32.500 0.058 0.000 0.715 2211 K HN 0.383 nan 8.250 nan 0.000 0.439 2212 A N 0.917 123.767 122.820 0.049 0.000 1.972 2212 A HA -0.075 4.245 4.320 0.000 0.000 0.219 2212 A C 2.183 179.767 177.584 0.000 0.000 1.169 2212 A CA 1.759 53.841 52.037 0.076 0.000 0.635 2212 A CB -0.626 18.492 19.000 0.196 0.000 0.810 2212 A HN 0.467 nan 8.150 nan 0.000 0.446 2213 A N -1.897 120.878 122.820 -0.076 0.000 2.206 2213 A HA 0.393 4.714 4.320 0.000 0.000 0.211 2213 A C 1.762 179.307 177.584 -0.065 0.000 1.158 2213 A CA 1.270 53.245 52.037 -0.103 0.000 0.761 2213 A CB -0.859 18.027 19.000 -0.190 0.000 0.801 2213 A HN 1.907 nan 8.150 nan 0.000 0.473 2214 G N -2.001 106.778 108.800 -0.035 0.000 2.131 2214 G HA2 0.136 4.097 3.960 0.000 0.000 0.223 2214 G HA3 0.136 4.097 3.960 0.000 0.000 0.223 2214 G C 0.388 175.279 174.900 -0.016 0.000 0.990 2214 G CA 0.198 45.288 45.100 -0.017 0.000 0.671 2214 G HN 1.562 nan 8.290 nan 0.000 0.521 2215 A N 0.328 123.133 122.820 -0.025 0.000 2.531 2215 A HA 0.631 4.951 4.320 0.000 0.000 0.236 2215 A C 1.718 179.301 177.584 -0.002 0.000 1.062 2215 A CA 1.313 53.345 52.037 -0.008 0.000 0.760 2215 A CB 0.332 19.324 19.000 -0.014 0.000 0.995 2215 A HN 1.732 nan 8.150 nan 0.000 0.501 2216 S N 1.839 117.542 115.700 0.004 0.000 2.458 2216 S HA 0.144 4.614 4.470 0.000 0.000 0.223 2216 S C 0.747 175.342 174.600 -0.009 0.000 1.019 2216 S CA 0.269 58.467 58.200 -0.002 0.000 0.937 2216 S CB 0.073 63.271 63.200 -0.003 0.000 0.788 2216 S HN 0.705 nan 8.310 nan 0.000 0.511 2217 R N 0.093 120.587 120.500 -0.010 0.000 2.574 2217 R HA 0.639 4.979 4.340 0.000 0.000 0.288 2217 R C -1.697 174.587 176.300 -0.027 0.000 1.004 2217 R CA -0.399 55.688 56.100 -0.023 0.000 0.895 2217 R CB 1.920 32.204 30.300 -0.027 0.000 1.191 2217 R HN 0.242 nan 8.270 nan 0.000 0.444 2218 I N 4.732 125.273 120.570 -0.048 0.000 2.476 2218 I HA 0.355 4.525 4.170 0.000 0.000 0.281 2218 I C -0.484 175.567 176.117 -0.110 0.000 1.040 2218 I CA -0.504 60.756 61.300 -0.066 0.000 1.094 2218 I CB 1.775 39.738 38.000 -0.062 0.000 1.219 2218 I HN 0.440 nan 8.210 nan 0.000 0.450 2219 I N 5.481 125.971 120.570 -0.134 0.000 2.297 2219 I HA 0.349 4.519 4.170 0.000 0.000 0.291 2219 I C 0.909 176.860 176.117 -0.278 0.000 1.033 2219 I CA -0.302 60.878 61.300 -0.200 0.000 1.253 2219 I CB 1.238 39.121 38.000 -0.194 0.000 1.396 2219 I HN 0.595 nan 8.210 nan 0.000 0.476 2220 G N 5.959 114.575 108.800 -0.308 0.000 2.339 2220 G HA2 0.498 4.458 3.960 0.000 0.000 0.287 2220 G HA3 0.498 4.458 3.960 0.000 0.000 0.287 2220 G C -0.542 174.134 174.900 -0.374 0.000 1.163 2220 G CA -0.224 44.677 45.100 -0.332 0.000 0.872 2220 G HN 0.375 nan 8.290 nan 0.000 0.464 2221 V N 2.208 121.903 119.914 -0.365 0.000 2.407 2221 V HA 0.856 4.976 4.120 0.000 0.000 0.291 2221 V C 0.602 176.678 176.094 -0.030 0.000 1.018 2221 V CA -0.059 62.060 62.300 -0.301 0.000 0.842 2221 V CB 1.001 32.412 31.823 -0.686 0.000 0.996 2221 V HN 1.103 nan 8.190 nan 0.000 0.426 2222 G N 2.031 110.935 108.800 0.174 0.000 2.684 2222 G HA2 0.530 4.490 3.960 0.000 0.000 0.290 2222 G HA3 0.530 4.490 3.960 0.000 0.000 0.290 2222 G C 0.263 175.306 174.900 0.237 0.000 1.425 2222 G CA 0.284 45.539 45.100 0.257 0.000 0.822 2222 G HN 0.616 nan 8.290 nan 0.000 0.482 2223 T N -2.731 111.869 114.554 0.077 0.000 3.086 2223 T HA 0.233 4.583 4.350 0.000 0.000 0.250 2223 T C 0.127 174.569 174.700 -0.429 0.000 1.074 2223 T CA 0.378 62.388 62.100 -0.150 0.000 0.988 2223 T CB -0.240 68.482 68.868 -0.243 0.000 0.988 2223 T HN 0.423 nan 8.240 nan 0.000 0.530 2224 H N 1.688 120.709 119.070 -0.082 0.000 2.736 2224 H HA 0.377 4.933 4.556 0.000 0.000 0.271 2224 H C 1.216 176.216 175.328 -0.547 0.000 1.184 2224 H CA -0.849 55.081 56.048 -0.196 0.000 1.378 2224 H CB 1.360 31.077 29.762 -0.076 0.000 1.428 2224 H HN 0.273 nan 8.280 nan 0.000 0.500 2225 K N 1.242 121.210 120.400 -0.720 0.000 2.281 2225 K HA -0.169 4.151 4.320 0.000 0.000 0.203 2225 K C 0.292 176.496 176.600 -0.660 0.000 1.046 2225 K CA 1.456 56.944 56.287 -1.332 0.000 0.938 2225 K CB 0.255 32.372 32.500 -0.638 0.000 0.737 2225 K HN 0.392 nan 8.250 nan 0.000 0.458 2226 D N 1.693 121.924 120.400 -0.281 0.000 2.263 2226 D HA -0.093 4.547 4.640 0.000 0.000 0.208 2226 D C 1.240 177.526 176.300 -0.023 0.000 0.971 2226 D CA 1.060 54.999 54.000 -0.101 0.000 0.867 2226 D CB 0.133 40.906 40.800 -0.045 0.000 0.929 2226 D HN 0.441 nan 8.370 nan 0.000 0.492 2227 K N -0.382 120.011 120.400 -0.012 0.000 2.361 2227 K HA 0.083 4.403 4.320 0.000 0.000 0.196 2227 K C 1.981 178.826 176.600 0.407 0.000 1.039 2227 K CA -0.066 56.357 56.287 0.226 0.000 1.001 2227 K CB 0.115 32.824 32.500 0.349 0.000 0.795 2227 K HN 0.191 nan 8.250 nan 0.000 0.495 2228 F N 1.527 121.556 119.950 0.131 0.000 2.095 2228 F HA -0.174 4.353 4.527 0.000 0.000 0.298 2228 F C -0.607 175.239 175.800 0.077 0.000 1.104 2228 F CA 0.567 58.613 58.000 0.077 0.000 1.232 2228 F CB -1.236 37.791 39.000 0.045 0.000 0.987 2228 F HN 0.032 nan 8.300 nan 0.000 0.475 2229 P HA -0.186 nan 4.420 nan 0.000 0.215 2229 P C 1.424 178.824 177.300 0.166 0.000 1.153 2229 P CA 1.451 64.650 63.100 0.166 0.000 0.853 2229 P CB -0.073 31.695 31.700 0.114 0.000 0.788 2230 K N -0.426 120.107 120.400 0.220 0.000 2.032 2230 K HA -0.093 4.227 4.320 0.000 0.000 0.209 2230 K C 2.084 178.926 176.600 0.403 0.000 1.048 2230 K CA 1.719 58.171 56.287 0.275 0.000 0.927 2230 K CB -1.108 31.564 32.500 0.287 0.000 0.712 2230 K HN 0.039 nan 8.250 nan 0.000 0.441 2231 A N 1.741 124.798 122.820 0.395 0.000 1.908 2231 A HA -0.173 4.147 4.320 0.000 0.000 0.218 2231 A C 2.118 179.723 177.584 0.035 0.000 1.181 2231 A CA 1.388 53.452 52.037 0.045 0.000 0.627 2231 A CB -0.448 18.448 19.000 -0.174 0.000 0.818 2231 A HN 0.149 nan 8.150 nan 0.000 0.445 2232 I N 0.158 120.763 120.570 0.059 0.000 2.226 2232 I HA -0.211 3.960 4.170 0.000 0.000 0.245 2232 I C 2.301 178.453 176.117 0.058 0.000 1.100 2232 I CA 1.514 62.832 61.300 0.030 0.000 1.374 2232 I CB -1.725 36.293 38.000 0.030 0.000 1.057 2232 I HN 0.484 nan 8.210 nan 0.000 0.413 2233 E N 0.723 120.975 120.200 0.087 0.000 2.118 2233 E HA -0.183 4.167 4.350 0.000 0.000 0.195 2233 E C 2.079 178.748 176.600 0.115 0.000 0.992 2233 E CA 1.002 57.449 56.400 0.078 0.000 0.804 2233 E CB -0.141 29.591 29.700 0.053 0.000 0.741 2233 E HN 0.448 nan 8.360 nan 0.000 0.458 2234 L N -0.836 120.487 121.223 0.167 0.000 2.591 2234 L HA 0.130 4.470 4.340 0.000 0.000 0.228 2234 L C 1.437 178.396 176.870 0.148 0.000 1.133 2234 L CA 0.439 55.408 54.840 0.215 0.000 0.880 2234 L CB 0.378 42.636 42.059 0.332 0.000 1.033 2234 L HN 0.346 nan 8.230 nan 0.000 0.450 2235 G N -0.958 107.894 108.800 0.085 0.000 2.813 2235 G HA2 -0.133 3.827 3.960 0.000 0.000 0.194 2235 G HA3 -0.133 3.827 3.960 0.000 0.000 0.194 2235 G C 0.395 175.294 174.900 -0.002 0.000 1.010 2235 G CA -0.196 44.933 45.100 0.048 0.000 0.771 2235 G HN 0.301 nan 8.290 nan 0.000 0.485 2236 A N 1.128 123.926 122.820 -0.037 0.000 2.498 2236 A HA 0.552 4.872 4.320 0.000 0.000 0.239 2236 A C 1.641 179.187 177.584 -0.064 0.000 1.068 2236 A CA 1.652 53.640 52.037 -0.082 0.000 0.766 2236 A CB 0.290 19.204 19.000 -0.144 0.000 1.003 2236 A HN 1.284 nan 8.150 nan 0.000 0.497 2237 T N -0.995 113.516 114.554 -0.072 0.000 3.057 2237 T HA 0.264 4.614 4.350 0.000 0.000 0.254 2237 T C 0.313 174.966 174.700 -0.077 0.000 1.094 2237 T CA 0.790 62.856 62.100 -0.057 0.000 1.088 2237 T CB -0.423 68.417 68.868 -0.046 0.000 0.934 2237 T HN 0.953 nan 8.240 nan 0.000 0.497 2238 E N -1.159 118.968 120.200 -0.122 0.000 2.396 2238 E HA 0.526 4.876 4.350 0.000 0.000 0.280 2238 E C -1.957 174.478 176.600 -0.275 0.000 1.065 2238 E CA -1.242 55.062 56.400 -0.161 0.000 0.831 2238 E CB 0.767 30.394 29.700 -0.123 0.000 1.272 2238 E HN 0.105 nan 8.360 nan 0.000 0.443 2239 C N 1.445 120.498 119.300 -0.410 0.000 2.634 2239 C HA 0.731 5.191 4.460 0.000 0.000 0.313 2239 C C -0.807 173.801 174.990 -0.636 0.000 1.198 2239 C CA -0.531 58.038 59.018 -0.749 0.000 1.605 2239 C CB 0.750 27.557 27.740 -1.555 0.000 2.196 2239 C HN 0.575 nan 8.230 nan 0.000 0.486 2240 L N 2.377 123.300 121.223 -0.500 0.000 2.408 2240 L HA 0.508 4.848 4.340 0.000 0.000 0.268 2240 L C -0.386 176.538 176.870 0.090 0.000 0.986 2240 L CA -0.298 54.468 54.840 -0.123 0.000 0.820 2240 L CB 1.550 43.556 42.059 -0.088 0.000 1.303 2240 L HN 0.728 nan 8.230 nan 0.000 0.411 2241 N N 3.168 122.054 118.700 0.311 0.000 2.501 2241 N HA 0.300 5.040 4.740 0.000 0.000 0.245 2241 N C -2.036 173.647 175.510 0.287 0.000 0.974 2241 N CA -1.667 51.587 53.050 0.339 0.000 0.941 2241 N CB 1.924 40.604 38.487 0.321 0.000 1.122 2241 N HN 0.286 nan 8.380 nan 0.000 0.507 2242 P HA -0.197 nan 4.420 nan 0.000 0.217 2242 P C 0.458 177.876 177.300 0.196 0.000 1.148 2242 P CA 1.394 64.621 63.100 0.211 0.000 0.828 2242 P CB 0.240 32.029 31.700 0.147 0.000 0.783 2243 K N -0.910 119.563 120.400 0.121 0.000 2.283 2243 K HA -0.110 4.210 4.320 0.000 0.000 0.202 2243 K C 1.273 177.894 176.600 0.034 0.000 1.048 2243 K CA 1.050 57.375 56.287 0.062 0.000 0.948 2243 K CB -0.411 32.098 32.500 0.015 0.000 0.742 2243 K HN 0.180 nan 8.250 nan 0.000 0.458 2244 D N -0.261 120.150 120.400 0.019 0.000 2.269 2244 D HA -0.067 4.573 4.640 0.000 0.000 0.208 2244 D C -0.012 176.129 176.300 -0.265 0.000 0.963 2244 D CA 1.001 54.908 54.000 -0.155 0.000 0.864 2244 D CB 0.056 40.683 40.800 -0.287 0.000 0.936 2244 D HN 0.122 nan 8.370 nan 0.000 0.505 2245 Y N 0.414 120.714 120.300 -0.001 0.000 2.361 2245 Y HA 0.157 4.707 4.550 0.000 0.000 0.332 2245 Y C 1.419 177.307 175.900 -0.020 0.000 1.101 2245 Y CA -0.664 57.427 58.100 -0.014 0.000 1.137 2245 Y CB 1.420 39.864 38.460 -0.026 0.000 1.207 2245 Y HN -0.274 nan 8.280 nan 0.000 0.463 2246 D N 1.152 121.634 120.400 0.136 0.000 2.262 2246 D HA -0.043 4.598 4.640 0.000 0.000 0.212 2246 D C 0.080 176.412 176.300 0.053 0.000 0.964 2246 D CA 0.467 54.507 54.000 0.068 0.000 0.875 2246 D CB 0.443 41.265 40.800 0.038 0.000 0.996 2246 D HN 0.663 nan 8.370 nan 0.000 0.497 2247 K N 1.167 121.608 120.400 0.069 0.000 2.185 2247 K HA 0.434 4.754 4.320 0.000 0.000 0.271 2247 K C -2.654 173.878 176.600 -0.113 0.000 1.013 2247 K CA -1.531 54.743 56.287 -0.021 0.000 0.943 2247 K CB 0.664 33.150 32.500 -0.024 0.000 0.998 2247 K HN -0.275 nan 8.250 nan 0.000 0.468 2248 P HA -0.110 nan 4.420 nan 0.000 0.263 2248 P C 0.323 177.305 177.300 -0.530 0.000 1.175 2248 P CA -0.087 62.715 63.100 -0.497 0.000 0.761 2248 P CB 0.282 31.406 31.700 -0.961 0.000 0.794 2249 I N 4.291 124.643 120.570 -0.363 0.000 2.361 2249 I HA -0.258 3.912 4.170 0.000 0.000 0.251 2249 I C 1.665 177.683 176.117 -0.164 0.000 1.133 2249 I CA 1.479 62.633 61.300 -0.243 0.000 1.413 2249 I CB -0.755 37.238 38.000 -0.011 0.000 1.073 2249 I HN 0.407 nan 8.210 nan 0.000 0.424 2250 Y N -0.444 119.866 120.300 0.015 0.000 2.373 2250 Y HA 0.025 4.575 4.550 0.000 0.000 0.293 2250 Y C 2.071 177.964 175.900 -0.012 0.000 1.129 2250 Y CA 0.984 59.100 58.100 0.027 0.000 1.226 2250 Y CB -1.515 36.952 38.460 0.012 0.000 1.000 2250 Y HN 0.225 nan 8.280 nan 0.000 0.549 2251 E N 0.821 120.898 120.200 -0.205 0.000 2.072 2251 E HA -0.101 4.249 4.350 0.000 0.000 0.190 2251 E C 2.292 178.832 176.600 -0.099 0.000 0.982 2251 E CA 1.287 57.640 56.400 -0.078 0.000 0.803 2251 E CB -0.184 29.421 29.700 -0.158 0.000 0.755 2251 E HN 0.377 nan 8.360 nan 0.000 0.453 2252 V N 1.774 121.561 119.914 -0.211 0.000 2.287 2252 V HA -0.276 3.844 4.120 0.000 0.000 0.248 2252 V C 2.276 178.277 176.094 -0.156 0.000 1.053 2252 V CA 1.629 63.775 62.300 -0.257 0.000 1.027 2252 V CB -0.405 31.064 31.823 -0.590 0.000 0.646 2252 V HN 0.256 nan 8.190 nan 0.000 0.447 2253 I N -0.836 119.669 120.570 -0.109 0.000 2.252 2253 I HA -0.247 3.923 4.170 0.000 0.000 0.245 2253 I C 2.579 178.695 176.117 -0.000 0.000 1.102 2253 I CA 1.397 62.671 61.300 -0.043 0.000 1.385 2253 I CB -0.500 37.513 38.000 0.022 0.000 1.064 2253 I HN 0.348 nan 8.210 nan 0.000 0.414 2254 C N 0.719 120.041 119.300 0.037 0.000 2.425 2254 C HA -0.147 4.313 4.460 0.000 0.000 0.277 2254 C C 2.635 177.640 174.990 0.024 0.000 1.280 2254 C CA 0.884 59.934 59.018 0.054 0.000 1.744 2254 C CB -1.064 26.730 27.740 0.090 0.000 1.989 2254 C HN 0.486 nan 8.230 nan 0.000 0.491 2255 E N 0.337 120.538 120.200 0.002 0.000 2.204 2255 E HA -0.158 4.192 4.350 0.000 0.000 0.194 2255 E C 1.972 178.565 176.600 -0.012 0.000 0.989 2255 E CA 0.907 57.304 56.400 -0.004 0.000 0.824 2255 E CB -0.019 29.673 29.700 -0.013 0.000 0.756 2255 E HN 0.635 nan 8.360 nan 0.000 0.477 2256 K N -0.107 120.279 120.400 -0.023 0.000 2.400 2256 K HA 0.005 4.325 4.320 0.000 0.000 0.194 2256 K C 1.087 177.670 176.600 -0.028 0.000 1.033 2256 K CA 1.077 57.347 56.287 -0.027 0.000 1.021 2256 K CB 0.577 33.053 32.500 -0.040 0.000 0.808 2256 K HN 0.056 nan 8.250 nan 0.000 0.505 2257 T N -2.221 112.318 114.554 -0.024 0.000 3.355 2257 T HA 0.142 4.492 4.350 0.000 0.000 0.276 2257 T C -0.030 174.639 174.700 -0.052 0.000 1.003 2257 T CA -0.651 61.427 62.100 -0.035 0.000 0.943 2257 T CB -0.552 68.300 68.868 -0.027 0.000 1.158 2257 T HN 0.271 nan 8.240 nan 0.000 0.513 2258 N N 0.800 119.474 118.700 -0.044 0.000 2.727 2258 N HA -0.250 4.490 4.740 0.000 0.000 0.249 2258 N C 0.988 176.467 175.510 -0.052 0.000 1.048 2258 N CA 0.672 53.687 53.050 -0.059 0.000 0.714 2258 N CB -1.303 37.121 38.487 -0.105 0.000 0.959 2258 N HN 1.106 nan 8.380 nan 0.000 0.544 2259 G N -1.746 107.071 108.800 0.028 0.000 2.184 2259 G HA2 0.168 4.128 3.960 0.000 0.000 0.206 2259 G HA3 0.168 4.128 3.960 0.000 0.000 0.206 2259 G C 0.420 175.444 174.900 0.207 0.000 0.995 2259 G CA 0.334 45.523 45.100 0.149 0.000 0.651 2259 G HN 1.477 nan 8.290 nan 0.000 0.511 2260 G N -1.968 106.894 108.800 0.103 0.000 2.334 2260 G HA2 0.517 4.478 3.960 0.000 0.000 0.566 2260 G HA3 0.517 4.478 3.960 0.000 0.000 0.566 2260 G C -0.047 174.888 174.900 0.058 0.000 1.413 2260 G CA 0.244 45.409 45.100 0.109 0.000 0.993 2260 G HN 1.871 nan 8.290 nan 0.000 0.642 2261 V N -1.160 118.786 119.914 0.053 0.000 3.133 2261 V HA 0.578 4.698 4.120 0.000 0.000 0.305 2261 V C 1.001 177.080 176.094 -0.025 0.000 1.084 2261 V CA 0.641 62.952 62.300 0.019 0.000 1.089 2261 V CB 1.517 33.371 31.823 0.052 0.000 1.073 2261 V HN 0.692 nan 8.190 nan 0.000 0.477 2262 D N 0.212 120.553 120.400 -0.100 0.000 2.162 2262 D HA 0.061 4.701 4.640 0.000 0.000 0.203 2262 D C -0.233 175.675 176.300 -0.652 0.000 0.967 2262 D CA 1.911 55.688 54.000 -0.370 0.000 0.840 2262 D CB 0.068 40.616 40.800 -0.420 0.000 0.972 2262 D HN 0.725 nan 8.370 nan 0.000 0.482 2263 Y N -0.539 119.775 120.300 0.023 0.000 2.421 2263 Y HA 0.558 5.108 4.550 0.000 0.000 0.339 2263 Y C -0.314 175.612 175.900 0.044 0.000 0.996 2263 Y CA -1.181 56.930 58.100 0.018 0.000 1.046 2263 Y CB 2.154 40.609 38.460 -0.008 0.000 1.226 2263 Y HN -0.214 nan 8.280 nan 0.000 0.445 2264 A N 2.236 125.172 122.820 0.194 0.000 2.371 2264 A HA 0.882 5.202 4.320 0.000 0.000 0.311 2264 A C -1.617 176.068 177.584 0.169 0.000 1.068 2264 A CA -0.787 51.377 52.037 0.212 0.000 0.744 2264 A CB 1.175 20.298 19.000 0.205 0.000 1.239 2264 A HN 0.502 nan 8.150 nan 0.000 0.435 2265 V N 2.553 122.586 119.914 0.200 0.000 2.407 2265 V HA 0.379 4.499 4.120 0.000 0.000 0.291 2265 V C -0.231 175.976 176.094 0.188 0.000 1.018 2265 V CA -0.636 61.744 62.300 0.134 0.000 0.842 2265 V CB 1.557 33.427 31.823 0.078 0.000 0.996 2265 V HN 0.918 nan 8.190 nan 0.000 0.426 2266 E N 3.439 123.704 120.200 0.108 0.000 2.146 2266 E HA 0.291 4.641 4.350 0.000 0.000 0.282 2266 E C -0.645 176.016 176.600 0.102 0.000 0.989 2266 E CA -0.247 56.214 56.400 0.102 0.000 0.799 2266 E CB 1.442 31.136 29.700 -0.010 0.000 1.088 2266 E HN 0.823 nan 8.360 nan 0.000 0.397 2267 C N 3.807 123.190 119.300 0.138 0.000 2.859 2267 C HA 0.530 4.990 4.460 0.000 0.000 0.256 2267 C C 1.063 176.129 174.990 0.127 0.000 1.660 2267 C CA 0.041 59.132 59.018 0.121 0.000 1.755 2267 C CB -0.667 27.147 27.740 0.123 0.000 3.127 2267 C HN 0.683 nan 8.230 nan 0.000 0.494 2268 A N 0.230 123.123 122.820 0.121 0.000 2.127 2268 A HA 0.588 4.908 4.320 0.000 0.000 0.204 2268 A C 1.614 179.255 177.584 0.095 0.000 1.243 2268 A CA 0.984 53.093 52.037 0.120 0.000 0.887 2268 A CB -0.406 18.678 19.000 0.139 0.000 0.933 2268 A HN 1.410 nan 8.150 nan 0.000 0.479 2269 G N -0.287 108.559 108.800 0.075 0.000 2.204 2269 G HA2 -0.165 3.795 3.960 0.000 0.000 0.244 2269 G HA3 -0.165 3.795 3.960 0.000 0.000 0.244 2269 G C -0.228 174.704 174.900 0.055 0.000 1.062 2269 G CA 0.121 45.257 45.100 0.061 0.000 0.798 2269 G HN 0.422 nan 8.290 nan 0.000 0.496 2270 R N -0.254 120.275 120.500 0.048 0.000 2.575 2270 R HA 0.456 4.796 4.340 0.000 0.000 0.293 2270 R C 1.340 177.649 176.300 0.016 0.000 0.983 2270 R CA -1.033 55.092 56.100 0.041 0.000 0.887 2270 R CB 1.096 31.430 30.300 0.056 0.000 1.184 2270 R HN 0.044 nan 8.270 nan 0.000 0.445 2271 I N 1.737 122.314 120.570 0.011 0.000 2.264 2271 I HA -0.260 3.910 4.170 0.000 0.000 0.248 2271 I C 2.182 178.289 176.117 -0.016 0.000 1.111 2271 I CA 1.522 62.818 61.300 -0.007 0.000 1.382 2271 I CB -0.382 37.617 38.000 -0.002 0.000 1.060 2271 I HN 0.719 nan 8.210 nan 0.000 0.418 2272 E N 0.830 121.033 120.200 0.004 0.000 2.077 2272 E HA -0.223 4.127 4.350 0.000 0.000 0.193 2272 E C 2.130 178.723 176.600 -0.011 0.000 0.989 2272 E CA 2.190 58.597 56.400 0.011 0.000 0.800 2272 E CB 0.104 29.827 29.700 0.039 0.000 0.746 2272 E HN 0.595 nan 8.360 nan 0.000 0.452 2273 T N -1.149 113.400 114.554 -0.009 0.000 2.867 2273 T HA -0.117 4.234 4.350 0.000 0.000 0.268 2273 T C 1.933 176.508 174.700 -0.207 0.000 1.057 2273 T CA 1.192 63.260 62.100 -0.054 0.000 1.136 2273 T CB -0.196 68.699 68.868 0.045 0.000 0.874 2273 T HN 0.115 nan 8.240 nan 0.000 0.466 2274 M N 0.101 119.622 119.600 -0.132 0.000 2.132 2274 M HA 0.070 4.550 4.480 0.000 0.000 0.263 2274 M C 2.479 178.659 176.300 -0.200 0.000 1.065 2274 M CA 1.322 56.526 55.300 -0.159 0.000 1.122 2274 M CB -0.450 32.098 32.600 -0.087 0.000 1.365 2274 M HN 0.156 nan 8.290 nan 0.000 0.411 2275 M N 0.369 119.878 119.600 -0.153 0.000 2.159 2275 M HA -0.141 4.339 4.480 0.000 0.000 0.263 2275 M C 1.694 177.865 176.300 -0.214 0.000 1.063 2275 M CA 1.509 56.712 55.300 -0.162 0.000 1.110 2275 M CB -1.560 30.977 32.600 -0.105 0.000 1.374 2275 M HN 0.264 nan 8.290 nan 0.000 0.411 2276 N N 0.807 119.397 118.700 -0.182 0.000 2.142 2276 N HA -0.056 4.684 4.740 0.000 0.000 0.186 2276 N C 1.783 177.053 175.510 -0.400 0.000 1.023 2276 N CA 1.660 54.645 53.050 -0.107 0.000 0.852 2276 N CB -0.401 38.072 38.487 -0.023 0.000 0.998 2276 N HN 0.339 nan 8.380 nan 0.000 0.424 2277 A N 1.409 123.722 122.820 -0.844 0.000 1.865 2277 A HA -0.126 4.194 4.320 0.000 0.000 0.217 2277 A C 2.265 179.668 177.584 -0.301 0.000 1.191 2277 A CA 1.227 52.720 52.037 -0.906 0.000 0.623 2277 A CB -0.934 17.609 19.000 -0.762 0.000 0.826 2277 A HN 0.249 nan 8.150 nan 0.000 0.444 2278 L N 0.011 121.084 121.223 -0.250 0.000 2.012 2278 L HA -0.230 4.110 4.340 0.000 0.000 0.210 2278 L C 2.349 179.124 176.870 -0.159 0.000 1.073 2278 L CA 2.526 57.266 54.840 -0.167 0.000 0.748 2278 L CB -0.745 41.214 42.059 -0.166 0.000 0.891 2278 L HN 0.541 nan 8.230 nan 0.000 0.431 2279 Q N -1.308 118.353 119.800 -0.232 0.000 2.488 2279 Q HA -0.039 4.301 4.340 0.000 0.000 0.211 2279 Q C 1.853 177.817 176.000 -0.059 0.000 0.967 2279 Q CA 0.933 56.573 55.803 -0.271 0.000 0.926 2279 Q CB 0.009 28.305 28.738 -0.736 0.000 0.992 2279 Q HN 0.490 nan 8.270 nan 0.000 0.506 2280 S N 0.411 116.133 115.700 0.036 0.000 2.558 2280 S HA -0.014 4.456 4.470 0.000 0.000 0.217 2280 S C 0.866 175.533 174.600 0.112 0.000 0.975 2280 S CA 0.324 58.622 58.200 0.163 0.000 0.912 2280 S CB 0.128 63.525 63.200 0.328 0.000 0.776 2280 S HN 0.507 nan 8.310 nan 0.000 0.526 2281 T N -0.585 113.998 114.554 0.049 0.000 2.922 2281 T HA 0.420 4.770 4.350 0.000 0.000 0.285 2281 T C -0.348 174.388 174.700 0.060 0.000 1.005 2281 T CA -0.698 61.427 62.100 0.042 0.000 1.061 2281 T CB 0.563 69.426 68.868 -0.009 0.000 1.007 2281 T HN 0.141 nan 8.240 nan 0.000 0.502 2282 Y N 2.167 122.427 120.300 -0.067 0.000 2.632 2282 Y HA 0.185 4.735 4.550 0.000 0.000 0.329 2282 Y C 1.784 177.642 175.900 -0.069 0.000 1.174 2282 Y CA -1.515 56.546 58.100 -0.064 0.000 1.469 2282 Y CB -0.102 38.311 38.460 -0.078 0.000 1.242 2282 Y HN 0.996 nan 8.280 nan 0.000 0.540 2283 C N 2.838 121.827 119.300 -0.519 0.000 2.419 2283 C HA 0.023 4.483 4.460 0.000 0.000 0.283 2283 C C 2.350 177.013 174.990 -0.545 0.000 1.373 2283 C CA 0.902 59.647 59.018 -0.454 0.000 1.781 2283 C CB -1.568 25.965 27.740 -0.345 0.000 1.886 2283 C HN 1.006 nan 8.230 nan 0.000 0.520 2284 G N 0.217 108.408 108.800 -1.014 0.000 2.623 2284 G HA2 0.226 4.187 3.960 0.000 0.000 0.214 2284 G HA3 0.226 4.187 3.960 0.000 0.000 0.214 2284 G C 1.363 176.150 174.900 -0.187 0.000 1.138 2284 G CA 1.236 46.017 45.100 -0.531 0.000 0.794 2284 G HN 1.060 nan 8.290 nan 0.000 0.535 2285 S N -1.984 113.648 115.700 -0.113 0.000 2.631 2285 S HA 0.281 4.751 4.470 0.000 0.000 0.248 2285 S C 1.015 175.570 174.600 -0.076 0.000 0.949 2285 S CA 0.294 58.473 58.200 -0.035 0.000 1.470 2285 S CB -0.416 62.808 63.200 0.040 0.000 1.248 2285 S HN 0.579 nan 8.310 nan 0.000 0.662 2286 G N 1.468 110.224 108.800 -0.073 0.000 2.391 2286 G HA2 0.452 4.412 3.960 0.000 0.000 0.234 2286 G HA3 0.452 4.412 3.960 0.000 0.000 0.234 2286 G C -0.497 174.332 174.900 -0.119 0.000 1.284 2286 G CA 0.109 45.143 45.100 -0.109 0.000 0.873 2286 G HN 0.584 nan 8.290 nan 0.000 0.549 2287 V N 2.105 121.934 119.914 -0.142 0.000 2.487 2287 V HA 0.483 4.603 4.120 0.000 0.000 0.298 2287 V C 0.139 176.251 176.094 0.029 0.000 1.028 2287 V CA -0.589 61.692 62.300 -0.031 0.000 0.860 2287 V CB 1.973 33.837 31.823 0.068 0.000 0.991 2287 V HN 0.828 nan 8.190 nan 0.000 0.427 2288 T N 4.397 118.958 114.554 0.011 0.000 2.807 2288 T HA 0.612 4.962 4.350 0.000 0.000 0.279 2288 T C -0.487 174.220 174.700 0.010 0.000 0.993 2288 T CA -0.405 61.702 62.100 0.011 0.000 0.970 2288 T CB 1.715 70.560 68.868 -0.039 0.000 0.950 2288 T HN 0.328 nan 8.240 nan 0.000 0.441 2289 V N 3.879 123.808 119.914 0.024 0.000 2.448 2289 V HA 0.445 4.565 4.120 0.000 0.000 0.295 2289 V C -0.167 175.930 176.094 0.006 0.000 1.025 2289 V CA -0.778 61.528 62.300 0.010 0.000 0.859 2289 V CB 1.778 33.608 31.823 0.011 0.000 0.988 2289 V HN 0.692 nan 8.190 nan 0.000 0.431 2290 V N 6.695 126.605 119.914 -0.007 0.000 2.370 2290 V HA 0.382 4.502 4.120 0.000 0.000 0.279 2290 V C 0.515 176.616 176.094 0.012 0.000 1.029 2290 V CA -0.075 62.223 62.300 -0.004 0.000 0.870 2290 V CB 1.510 33.321 31.823 -0.020 0.000 0.984 2290 V HN 0.775 nan 8.190 nan 0.000 0.451 2291 L N 3.608 124.851 121.223 0.032 0.000 2.609 2291 L HA 0.410 4.750 4.340 0.000 0.000 0.230 2291 L C 1.537 178.443 176.870 0.059 0.000 1.064 2291 L CA 0.361 55.232 54.840 0.052 0.000 0.873 2291 L CB -0.000 42.100 42.059 0.068 0.000 1.139 2291 L HN 0.757 nan 8.230 nan 0.000 0.490 2292 G N 0.833 109.666 108.800 0.055 0.000 2.569 2292 G HA2 0.454 4.414 3.960 0.000 0.000 0.249 2292 G HA3 0.454 4.414 3.960 0.000 0.000 0.249 2292 G C -0.940 173.985 174.900 0.043 0.000 1.216 2292 G CA -0.193 44.942 45.100 0.057 0.000 0.845 2292 G HN -0.090 nan 8.290 nan 0.000 0.568 2293 L N 1.045 122.295 121.223 0.046 0.000 2.325 2293 L HA 0.639 4.979 4.340 0.000 0.000 0.281 2293 L C 0.697 177.591 176.870 0.040 0.000 1.004 2293 L CA -0.345 54.517 54.840 0.036 0.000 0.823 2293 L CB 1.401 43.481 42.059 0.034 0.000 1.236 2293 L HN 0.720 nan 8.230 nan 0.000 0.415 2294 A N 1.821 124.660 122.820 0.033 0.000 2.247 2294 A HA 0.786 5.106 4.320 0.000 0.000 0.313 2294 A C 0.201 177.807 177.584 0.037 0.000 1.109 2294 A CA -0.534 51.524 52.037 0.036 0.000 0.890 2294 A CB 0.440 19.456 19.000 0.027 0.000 1.239 2294 A HN 0.609 nan 8.150 nan 0.000 0.506 2295 S N 1.246 116.970 115.700 0.041 0.000 2.558 2295 S HA 0.097 4.568 4.470 0.000 0.000 0.291 2295 S C -1.611 173.008 174.600 0.032 0.000 1.306 2295 S CA -0.107 58.118 58.200 0.042 0.000 1.056 2295 S CB 0.170 63.396 63.200 0.043 0.000 0.836 2295 S HN 0.518 nan 8.310 nan 0.000 0.504 2296 P HA -0.140 nan 4.420 nan 0.000 0.216 2296 P C 0.462 177.774 177.300 0.020 0.000 1.154 2296 P CA 1.345 64.460 63.100 0.026 0.000 0.865 2296 P CB 0.018 31.736 31.700 0.029 0.000 0.789 2297 N N -1.219 117.493 118.700 0.021 0.000 2.322 2297 N HA 0.032 4.772 4.740 0.000 0.000 0.194 2297 N C 0.095 175.613 175.510 0.013 0.000 1.126 2297 N CA -0.136 52.924 53.050 0.016 0.000 0.845 2297 N CB 0.137 38.634 38.487 0.017 0.000 0.976 2297 N HN 0.322 nan 8.380 nan 0.000 0.475 2298 E N 1.132 121.341 120.200 0.015 0.000 2.343 2298 E HA 0.258 4.608 4.350 0.000 0.000 0.269 2298 E C -0.112 176.491 176.600 0.004 0.000 1.047 2298 E CA -0.068 56.338 56.400 0.011 0.000 0.874 2298 E CB 0.899 30.609 29.700 0.016 0.000 1.033 2298 E HN 0.028 nan 8.360 nan 0.000 0.409 2299 R N 1.661 122.161 120.500 -0.000 0.000 2.795 2299 R HA 0.389 4.729 4.340 0.000 0.000 0.275 2299 R C -1.044 175.248 176.300 -0.013 0.000 0.981 2299 R CA -1.208 54.888 56.100 -0.007 0.000 0.917 2299 R CB 1.227 31.522 30.300 -0.008 0.000 1.202 2299 R HN 0.353 nan 8.270 nan 0.000 0.469 2300 L N 3.833 125.043 121.223 -0.021 0.000 2.261 2300 L HA 0.380 4.720 4.340 0.000 0.000 0.289 2300 L C -1.952 174.899 176.870 -0.033 0.000 1.059 2300 L CA -1.511 53.311 54.840 -0.030 0.000 0.816 2300 L CB 0.923 42.958 42.059 -0.040 0.000 1.191 2300 L HN 0.357 nan 8.230 nan 0.000 0.431 2301 P HA 0.126 nan 4.420 nan 0.000 0.249 2301 P C -0.900 176.374 177.300 -0.044 0.000 1.737 2301 P CA -0.334 62.747 63.100 -0.032 0.000 1.128 2301 P CB -0.021 31.663 31.700 -0.026 0.000 1.942 2302 L N 2.519 123.714 121.223 -0.046 0.000 2.313 2302 L HA 0.266 4.606 4.340 0.000 0.000 0.282 2302 L C 0.084 176.922 176.870 -0.054 0.000 1.092 2302 L CA -0.172 54.634 54.840 -0.057 0.000 0.831 2302 L CB 0.181 42.207 42.059 -0.055 0.000 1.159 2302 L HN 0.067 nan 8.230 nan 0.000 0.442 2303 D N 6.994 127.356 120.400 -0.063 0.000 2.339 2303 D HA 0.246 4.886 4.640 0.000 0.000 0.241 2303 D C -1.835 174.429 176.300 -0.061 0.000 1.183 2303 D CA -2.179 51.786 54.000 -0.058 0.000 0.859 2303 D CB 1.706 42.469 40.800 -0.063 0.000 1.067 2303 D HN 0.364 nan 8.370 nan 0.000 0.484 2304 P HA -0.120 nan 4.420 nan 0.000 0.218 2304 P C 1.528 178.794 177.300 -0.057 0.000 1.146 2304 P CA 0.851 63.921 63.100 -0.051 0.000 0.813 2304 P CB 0.186 31.861 31.700 -0.041 0.000 0.778 2305 L N -1.733 119.455 121.223 -0.057 0.000 2.265 2305 L HA -0.152 4.188 4.340 0.000 0.000 0.215 2305 L C 2.214 179.038 176.870 -0.077 0.000 1.117 2305 L CA 1.006 55.809 54.840 -0.061 0.000 0.782 2305 L CB -0.830 41.196 42.059 -0.056 0.000 0.914 2305 L HN 0.045 nan 8.230 nan 0.000 0.441 2306 L N -0.641 120.531 121.223 -0.085 0.000 2.201 2306 L HA -0.169 4.172 4.340 0.000 0.000 0.212 2306 L C 2.232 179.041 176.870 -0.102 0.000 1.105 2306 L CA 0.932 55.710 54.840 -0.103 0.000 0.775 2306 L CB -0.164 41.826 42.059 -0.115 0.000 0.913 2306 L HN 0.327 nan 8.230 nan 0.000 0.440 2307 L N -1.392 119.779 121.223 -0.086 0.000 2.357 2307 L HA -0.037 4.303 4.340 0.000 0.000 0.211 2307 L C 2.327 179.151 176.870 -0.077 0.000 1.075 2307 L CA 0.197 54.989 54.840 -0.080 0.000 0.830 2307 L CB -0.185 41.835 42.059 -0.066 0.000 0.996 2307 L HN 0.181 nan 8.230 nan 0.000 0.467 2308 L N 0.382 121.562 121.223 -0.071 0.000 2.089 2308 L HA -0.239 4.101 4.340 0.000 0.000 0.213 2308 L C 2.696 179.522 176.870 -0.074 0.000 1.079 2308 L CA 2.097 56.898 54.840 -0.065 0.000 0.758 2308 L CB -1.009 41.016 42.059 -0.057 0.000 0.891 2308 L HN 0.479 nan 8.230 nan 0.000 0.433 2309 T N -3.741 110.756 114.554 -0.095 0.000 3.072 2309 T HA 0.112 4.462 4.350 0.000 0.000 0.266 2309 T C 1.301 175.927 174.700 -0.124 0.000 1.127 2309 T CA 0.773 62.805 62.100 -0.114 0.000 1.107 2309 T CB 0.344 69.121 68.868 -0.152 0.000 0.910 2309 T HN 0.538 nan 8.240 nan 0.000 0.513 2310 G N 0.599 109.333 108.800 -0.109 0.000 2.276 2310 G HA2 -0.069 3.891 3.960 0.000 0.000 0.177 2310 G HA3 -0.069 3.891 3.960 0.000 0.000 0.177 2310 G C 0.040 174.882 174.900 -0.097 0.000 1.017 2310 G CA -0.774 44.268 45.100 -0.097 0.000 0.750 2310 G HN 0.532 nan 8.290 nan 0.000 0.506 2311 R N 0.358 120.795 120.500 -0.104 0.000 2.577 2311 R HA 0.699 5.039 4.340 0.000 0.000 0.269 2311 R C -0.397 175.862 176.300 -0.069 0.000 1.084 2311 R CA 0.024 56.068 56.100 -0.094 0.000 1.163 2311 R CB 1.091 31.329 30.300 -0.103 0.000 1.100 2311 R HN 0.167 nan 8.270 nan 0.000 0.547 2312 S N 1.136 116.801 115.700 -0.058 0.000 2.538 2312 S HA 0.434 4.905 4.470 0.000 0.000 0.288 2312 S C -1.514 173.063 174.600 -0.039 0.000 1.108 2312 S CA -0.700 57.475 58.200 -0.041 0.000 0.971 2312 S CB 1.691 64.876 63.200 -0.024 0.000 1.041 2312 S HN 0.309 nan 8.310 nan 0.000 0.483 2313 L N 3.823 125.023 121.223 -0.039 0.000 2.372 2313 L HA 0.649 4.989 4.340 0.000 0.000 0.274 2313 L C -1.049 175.801 176.870 -0.033 0.000 0.988 2313 L CA -0.014 54.803 54.840 -0.040 0.000 0.833 2313 L CB 0.780 42.809 42.059 -0.051 0.000 1.236 2313 L HN 0.649 nan 8.230 nan 0.000 0.410 2314 K N 3.054 123.438 120.400 -0.027 0.000 2.433 2314 K HA 0.963 5.283 4.320 0.000 0.000 0.252 2314 K C -0.751 175.831 176.600 -0.030 0.000 1.015 2314 K CA -1.065 55.205 56.287 -0.029 0.000 0.860 2314 K CB 2.214 34.701 32.500 -0.023 0.000 1.359 2314 K HN 0.683 nan 8.250 nan 0.000 0.452 2315 G N -0.214 108.563 108.800 -0.039 0.000 2.690 2315 G HA2 0.646 4.606 3.960 0.000 0.000 0.291 2315 G HA3 0.646 4.606 3.960 0.000 0.000 0.291 2315 G C -1.326 173.548 174.900 -0.044 0.000 1.403 2315 G CA -0.626 44.452 45.100 -0.037 0.000 0.864 2315 G HN 0.622 nan 8.290 nan 0.000 0.480 2316 S N -1.795 113.890 115.700 -0.025 0.000 2.611 2316 S HA 0.750 5.220 4.470 0.000 0.000 0.268 2316 S C -1.598 173.032 174.600 0.050 0.000 1.156 2316 S CA -0.714 57.478 58.200 -0.013 0.000 0.817 2316 S CB 1.688 64.877 63.200 -0.019 0.000 1.122 2316 S HN 1.060 nan 8.310 nan 0.000 0.466 2317 V N 1.756 121.736 119.914 0.109 0.000 2.680 2317 V HA 0.642 4.762 4.120 0.000 0.000 0.309 2317 V C 0.007 176.313 176.094 0.354 0.000 1.052 2317 V CA -0.539 61.911 62.300 0.251 0.000 0.908 2317 V CB 1.030 33.034 31.823 0.300 0.000 1.001 2317 V HN 1.259 nan 8.190 nan 0.000 0.431 2318 F N 3.801 123.901 119.950 0.250 0.000 3.067 2318 F HA -0.271 4.256 4.527 0.000 0.000 0.279 2318 F C 1.449 177.388 175.800 0.232 0.000 0.945 2318 F CA 0.892 59.028 58.000 0.226 0.000 0.948 2318 F CB -0.564 38.427 39.000 -0.015 0.000 0.898 2318 F HN 1.062 nan 8.300 nan 0.000 0.746 2319 G N 0.320 109.186 108.800 0.110 0.000 2.212 2319 G HA2 -0.022 3.938 3.960 0.000 0.000 0.267 2319 G HA3 -0.022 3.938 3.960 0.000 0.000 0.267 2319 G C 1.758 176.510 174.900 -0.247 0.000 1.002 2319 G CA 1.114 46.179 45.100 -0.059 0.000 0.729 2319 G HN 2.255 nan 8.290 nan 0.000 0.517 2320 G N -2.080 106.671 108.800 -0.082 0.000 2.184 2320 G HA2 -0.268 3.693 3.960 0.000 0.000 0.264 2320 G HA3 -0.268 3.693 3.960 0.000 0.000 0.264 2320 G C 0.445 175.274 174.900 -0.118 0.000 0.975 2320 G CA 0.488 45.520 45.100 -0.113 0.000 0.642 2320 G HN 1.161 nan 8.290 nan 0.000 0.536 2321 F N 1.319 121.245 119.950 -0.039 0.000 2.471 2321 F HA 0.465 4.993 4.527 0.000 0.000 0.353 2321 F C 1.248 177.134 175.800 0.143 0.000 1.113 2321 F CA 0.029 58.012 58.000 -0.028 0.000 1.262 2321 F CB 0.740 39.589 39.000 -0.252 0.000 1.146 2321 F HN -0.103 nan 8.300 nan 0.000 0.578 2322 K N 1.189 121.788 120.400 0.332 0.000 2.098 2322 K HA 0.263 4.583 4.320 0.000 0.000 0.261 2322 K C 1.171 177.917 176.600 0.244 0.000 0.987 2322 K CA -0.150 56.277 56.287 0.232 0.000 0.916 2322 K CB 1.216 33.801 32.500 0.142 0.000 1.039 2322 K HN 0.815 nan 8.250 nan 0.000 0.455 2323 G N 1.762 110.658 108.800 0.159 0.000 2.469 2323 G HA2 -0.322 3.638 3.960 0.000 0.000 0.220 2323 G HA3 -0.322 3.638 3.960 0.000 0.000 0.220 2323 G C 1.038 175.996 174.900 0.097 0.000 1.136 2323 G CA 1.189 46.358 45.100 0.116 0.000 0.759 2323 G HN 0.872 nan 8.290 nan 0.000 0.562 2324 E N 0.212 120.462 120.200 0.083 0.000 2.472 2324 E HA -0.029 4.322 4.350 0.000 0.000 0.200 2324 E C 1.621 178.263 176.600 0.070 0.000 1.046 2324 E CA 0.955 57.393 56.400 0.063 0.000 0.871 2324 E CB -0.112 29.619 29.700 0.053 0.000 0.806 2324 E HN 0.539 nan 8.360 nan 0.000 0.533 2325 E N 0.235 120.495 120.200 0.100 0.000 2.476 2325 E HA 0.029 4.379 4.350 0.000 0.000 0.199 2325 E C 1.696 178.278 176.600 -0.029 0.000 1.021 2325 E CA -0.022 56.429 56.400 0.086 0.000 0.907 2325 E CB 0.671 30.510 29.700 0.232 0.000 0.974 2325 E HN 0.064 nan 8.360 nan 0.000 0.489 2326 V N 0.569 120.478 119.914 -0.009 0.000 2.287 2326 V HA -0.293 3.827 4.120 0.000 0.000 0.248 2326 V C 2.309 178.371 176.094 -0.052 0.000 1.053 2326 V CA 2.088 64.359 62.300 -0.049 0.000 1.027 2326 V CB -0.489 31.371 31.823 0.062 0.000 0.646 2326 V HN 0.294 nan 8.190 nan 0.000 0.447 2327 S N -0.288 115.402 115.700 -0.016 0.000 2.370 2327 S HA -0.283 4.187 4.470 0.000 0.000 0.226 2327 S C 2.184 176.768 174.600 -0.027 0.000 1.033 2327 S CA 2.065 60.256 58.200 -0.015 0.000 1.011 2327 S CB -0.325 62.873 63.200 -0.003 0.000 0.852 2327 S HN 0.536 nan 8.310 nan 0.000 0.457 2328 R N 1.102 121.587 120.500 -0.024 0.000 2.105 2328 R HA 0.079 4.419 4.340 0.000 0.000 0.239 2328 R C 2.143 178.417 176.300 -0.043 0.000 1.135 2328 R CA 1.576 57.665 56.100 -0.018 0.000 0.967 2328 R CB -0.937 29.370 30.300 0.011 0.000 0.861 2328 R HN 0.501 nan 8.270 nan 0.000 0.442 2329 L N -0.520 120.643 121.223 -0.101 0.000 2.046 2329 L HA -0.145 4.195 4.340 0.000 0.000 0.208 2329 L C 2.275 179.094 176.870 -0.085 0.000 1.077 2329 L CA 1.175 55.928 54.840 -0.145 0.000 0.747 2329 L CB -0.440 41.451 42.059 -0.281 0.000 0.896 2329 L HN 0.065 nan 8.230 nan 0.000 0.432 2330 V N -0.221 119.662 119.914 -0.052 0.000 2.343 2330 V HA -0.297 3.824 4.120 0.000 0.000 0.247 2330 V C 2.128 178.216 176.094 -0.010 0.000 1.051 2330 V CA 1.829 64.136 62.300 0.011 0.000 1.036 2330 V CB -0.552 31.272 31.823 0.001 0.000 0.654 2330 V HN 0.452 nan 8.190 nan 0.000 0.451 2331 D N 0.173 120.553 120.400 -0.033 0.000 2.097 2331 D HA -0.167 4.473 4.640 0.000 0.000 0.195 2331 D C 1.912 178.184 176.300 -0.046 0.000 0.989 2331 D CA 1.558 55.530 54.000 -0.045 0.000 0.827 2331 D CB -0.408 40.373 40.800 -0.031 0.000 0.966 2331 D HN 0.409 nan 8.370 nan 0.000 0.456 2332 D N -0.287 120.096 120.400 -0.028 0.000 2.182 2332 D HA -0.175 4.466 4.640 0.000 0.000 0.201 2332 D C 1.922 178.212 176.300 -0.017 0.000 0.986 2332 D CA 0.569 54.556 54.000 -0.021 0.000 0.847 2332 D CB -0.399 40.393 40.800 -0.014 0.000 0.942 2332 D HN 0.280 nan 8.370 nan 0.000 0.467 2333 Y N 1.152 121.339 120.300 -0.189 0.000 2.200 2333 Y HA -0.090 4.460 4.550 0.000 0.000 0.290 2333 Y C 2.127 177.909 175.900 -0.196 0.000 1.137 2333 Y CA 1.263 59.214 58.100 -0.248 0.000 1.163 2333 Y CB -0.523 37.752 38.460 -0.309 0.000 0.988 2333 Y HN -0.111 nan 8.280 nan 0.000 0.518 2334 M N -0.055 119.331 119.600 -0.356 0.000 2.319 2334 M HA -0.137 4.343 4.480 0.000 0.000 0.265 2334 M C 1.601 177.759 176.300 -0.237 0.000 1.068 2334 M CA 1.495 56.542 55.300 -0.422 0.000 1.118 2334 M CB -0.217 32.199 32.600 -0.306 0.000 1.395 2334 M HN 0.082 nan 8.290 nan 0.000 0.435 2335 K N 0.559 120.873 120.400 -0.144 0.000 2.487 2335 K HA 0.040 4.360 4.320 0.000 0.000 0.192 2335 K C 0.245 176.799 176.600 -0.077 0.000 1.027 2335 K CA 0.208 56.441 56.287 -0.090 0.000 1.054 2335 K CB 0.105 32.573 32.500 -0.053 0.000 0.824 2335 K HN 0.220 nan 8.250 nan 0.000 0.510 2336 K N -0.564 119.775 120.400 -0.101 0.000 3.341 2336 K HA -0.257 4.063 4.320 0.000 0.000 0.305 2336 K C 0.416 176.992 176.600 -0.040 0.000 1.270 2336 K CA 0.945 57.184 56.287 -0.081 0.000 0.897 2336 K CB -1.063 31.395 32.500 -0.070 0.000 1.264 2336 K HN 0.181 nan 8.250 nan 0.000 0.468 2337 K N 0.595 120.981 120.400 -0.022 0.000 2.148 2337 K HA -0.016 4.304 4.320 0.000 0.000 0.204 2337 K C 1.101 177.712 176.600 0.017 0.000 1.050 2337 K CA 1.391 57.685 56.287 0.011 0.000 0.942 2337 K CB -0.076 32.438 32.500 0.024 0.000 0.724 2337 K HN 0.462 nan 8.250 nan 0.000 0.446 2338 I N -1.287 119.266 120.570 -0.028 0.000 2.512 2338 I HA 0.302 4.472 4.170 0.000 0.000 0.287 2338 I C -1.340 174.668 176.117 -0.181 0.000 1.069 2338 I CA -0.985 60.270 61.300 -0.076 0.000 1.056 2338 I CB 1.820 39.730 38.000 -0.149 0.000 1.229 2338 I HN -0.175 nan 8.210 nan 0.000 0.429 2339 N N 5.528 124.050 118.700 -0.296 0.000 3.083 2339 N HA 0.168 4.908 4.740 0.000 0.000 0.260 2339 N C 1.201 176.336 175.510 -0.626 0.000 1.163 2339 N CA -0.234 52.462 53.050 -0.590 0.000 1.060 2339 N CB 1.832 39.472 38.487 -1.413 0.000 1.345 2339 N HN 0.585 nan 8.380 nan 0.000 0.515 2340 V N 1.384 120.774 119.914 -0.874 0.000 2.392 2340 V HA -0.302 3.818 4.120 0.000 0.000 0.249 2340 V C 2.273 178.026 176.094 -0.569 0.000 1.059 2340 V CA 1.632 63.296 62.300 -1.059 0.000 1.051 2340 V CB -0.421 30.368 31.823 -1.723 0.000 0.658 2340 V HN 0.658 nan 8.190 nan 0.000 0.455 2341 N N 0.287 118.733 118.700 -0.424 0.000 2.348 2341 N HA -0.225 4.515 4.740 0.000 0.000 0.185 2341 N C 1.781 177.358 175.510 0.112 0.000 1.019 2341 N CA 1.631 54.628 53.050 -0.089 0.000 0.880 2341 N CB -0.780 37.752 38.487 0.075 0.000 0.965 2341 N HN 0.576 nan 8.380 nan 0.000 0.437 2342 F N 0.890 120.799 119.950 -0.068 0.000 2.365 2342 F HA 0.058 4.586 4.527 0.000 0.000 0.300 2342 F C 2.014 177.779 175.800 -0.059 0.000 1.090 2342 F CA 0.156 58.136 58.000 -0.033 0.000 1.408 2342 F CB 0.103 39.111 39.000 0.012 0.000 1.060 2342 F HN -0.020 nan 8.300 nan 0.000 0.534 2343 L N -0.257 121.031 121.223 0.108 0.000 2.418 2343 L HA -0.003 4.337 4.340 0.000 0.000 0.218 2343 L C 0.574 177.410 176.870 -0.057 0.000 1.125 2343 L CA 0.058 54.899 54.840 0.002 0.000 0.835 2343 L CB -0.269 41.822 42.059 0.053 0.000 0.953 2343 L HN -0.181 nan 8.230 nan 0.000 0.454 2344 V N 0.429 120.325 119.914 -0.030 0.000 2.381 2344 V HA 0.009 4.129 4.120 0.000 0.000 0.257 2344 V C 1.190 177.256 176.094 -0.046 0.000 1.057 2344 V CA 0.361 62.635 62.300 -0.043 0.000 1.013 2344 V CB 0.895 32.700 31.823 -0.030 0.000 1.069 2344 V HN 0.208 nan 8.190 nan 0.000 0.484 2345 S N 2.735 118.390 115.700 -0.075 0.000 2.503 2345 S HA 0.109 4.579 4.470 0.000 0.000 0.215 2345 S C 0.737 175.303 174.600 -0.057 0.000 1.003 2345 S CA 0.204 58.357 58.200 -0.078 0.000 0.910 2345 S CB 0.405 63.536 63.200 -0.115 0.000 0.790 2345 S HN 0.792 nan 8.310 nan 0.000 0.514 2346 T N 2.161 116.684 114.554 -0.052 0.000 3.032 2346 T HA 0.384 4.734 4.350 0.000 0.000 0.312 2346 T C -1.197 173.483 174.700 -0.033 0.000 1.078 2346 T CA -0.703 61.373 62.100 -0.040 0.000 1.028 2346 T CB 2.003 70.845 68.868 -0.043 0.000 1.091 2346 T HN -0.058 nan 8.240 nan 0.000 0.457 2347 K N 3.050 123.437 120.400 -0.022 0.000 2.323 2347 K HA 0.768 5.088 4.320 0.000 0.000 0.259 2347 K C -0.858 175.738 176.600 -0.007 0.000 0.947 2347 K CA -0.666 55.611 56.287 -0.016 0.000 0.819 2347 K CB 1.723 34.216 32.500 -0.012 0.000 1.109 2347 K HN 0.401 nan 8.250 nan 0.000 0.429 2348 L N 0.380 121.604 121.223 0.001 0.000 2.194 2348 L HA 0.545 4.885 4.340 0.000 0.000 0.248 2348 L C 0.312 177.206 176.870 0.041 0.000 1.071 2348 L CA -1.065 53.784 54.840 0.014 0.000 0.901 2348 L CB 2.026 44.089 42.059 0.007 0.000 1.497 2348 L HN 0.670 nan 8.230 nan 0.000 0.442 2349 T N -2.363 112.218 114.554 0.046 0.000 2.948 2349 T HA 0.326 4.676 4.350 0.000 0.000 0.285 2349 T C 0.558 175.300 174.700 0.070 0.000 1.019 2349 T CA -0.651 61.493 62.100 0.073 0.000 1.013 2349 T CB 1.435 70.326 68.868 0.039 0.000 1.117 2349 T HN 0.436 nan 8.240 nan 0.000 0.533 2350 L N 0.602 121.862 121.223 0.062 0.000 2.127 2350 L HA -0.011 4.329 4.340 0.000 0.000 0.211 2350 L C 1.861 178.693 176.870 -0.063 0.000 1.089 2350 L CA 1.905 56.721 54.840 -0.039 0.000 0.757 2350 L CB -1.098 40.778 42.059 -0.304 0.000 0.899 2350 L HN 0.718 nan 8.230 nan 0.000 0.434 2351 D N -0.685 119.689 120.400 -0.044 0.000 2.264 2351 D HA -0.173 4.467 4.640 0.000 0.000 0.208 2351 D C 1.603 177.889 176.300 -0.024 0.000 0.966 2351 D CA 1.019 54.997 54.000 -0.036 0.000 0.864 2351 D CB 0.031 40.817 40.800 -0.023 0.000 0.933 2351 D HN 0.599 nan 8.370 nan 0.000 0.499 2352 Q N 0.187 119.980 119.800 -0.012 0.000 2.246 2352 Q HA 0.177 4.517 4.340 0.000 0.000 0.202 2352 Q C 1.958 177.958 176.000 -0.000 0.000 0.883 2352 Q CA -0.336 55.465 55.803 -0.003 0.000 0.952 2352 Q CB 0.678 29.418 28.738 0.004 0.000 1.078 2352 Q HN 0.290 nan 8.270 nan 0.000 0.493 2353 I N 1.159 121.715 120.570 -0.023 0.000 2.185 2353 I HA -0.394 3.776 4.170 0.000 0.000 0.246 2353 I C 1.519 177.695 176.117 0.099 0.000 1.088 2353 I CA 1.301 62.583 61.300 -0.029 0.000 1.347 2353 I CB 0.104 38.011 38.000 -0.156 0.000 1.041 2353 I HN 0.308 nan 8.210 nan 0.000 0.415 2354 N N 1.014 119.743 118.700 0.048 0.000 2.364 2354 N HA -0.179 4.561 4.740 0.000 0.000 0.183 2354 N C 1.601 177.191 175.510 0.134 0.000 1.022 2354 N CA 1.044 54.143 53.050 0.081 0.000 0.883 2354 N CB -0.137 38.343 38.487 -0.013 0.000 0.965 2354 N HN 0.541 nan 8.380 nan 0.000 0.438 2355 K N 0.802 121.251 120.400 0.082 0.000 2.097 2355 K HA 0.042 4.362 4.320 0.000 0.000 0.205 2355 K C 2.097 178.735 176.600 0.062 0.000 1.050 2355 K CA 0.947 57.269 56.287 0.058 0.000 0.938 2355 K CB -0.026 32.490 32.500 0.025 0.000 0.718 2355 K HN 0.072 nan 8.250 nan 0.000 0.442 2356 A N 0.938 123.792 122.820 0.057 0.000 1.902 2356 A HA -0.152 4.168 4.320 0.000 0.000 0.217 2356 A C 1.888 179.444 177.584 -0.047 0.000 1.181 2356 A CA 1.332 53.352 52.037 -0.028 0.000 0.623 2356 A CB -0.700 18.240 19.000 -0.100 0.000 0.818 2356 A HN 0.191 nan 8.150 nan 0.000 0.443 2357 F N 0.355 120.292 119.950 -0.021 0.000 2.234 2357 F HA -0.085 4.442 4.527 0.000 0.000 0.299 2357 F C 2.422 178.228 175.800 0.010 0.000 1.087 2357 F CA 1.589 59.594 58.000 0.008 0.000 1.340 2357 F CB -0.266 38.743 39.000 0.015 0.000 1.031 2357 F HN 0.332 nan 8.300 nan 0.000 0.500 2358 E N 0.228 120.533 120.200 0.175 0.000 2.072 2358 E HA -0.169 4.181 4.350 0.000 0.000 0.191 2358 E C 2.274 178.902 176.600 0.045 0.000 0.985 2358 E CA 1.054 57.513 56.400 0.098 0.000 0.801 2358 E CB -0.373 29.368 29.700 0.069 0.000 0.750 2358 E HN 0.400 nan 8.360 nan 0.000 0.452 2359 L N 0.920 122.153 121.223 0.017 0.000 2.131 2359 L HA -0.181 4.159 4.340 0.000 0.000 0.210 2359 L C 2.441 179.287 176.870 -0.040 0.000 1.092 2359 L CA 0.709 55.535 54.840 -0.023 0.000 0.759 2359 L CB -0.399 41.637 42.059 -0.039 0.000 0.903 2359 L HN 0.183 nan 8.230 nan 0.000 0.435 2360 L N -0.915 120.288 121.223 -0.034 0.000 2.189 2360 L HA -0.257 4.083 4.340 0.000 0.000 0.214 2360 L C 2.582 179.442 176.870 -0.017 0.000 1.097 2360 L CA 1.348 56.166 54.840 -0.036 0.000 0.764 2360 L CB -0.447 41.591 42.059 -0.035 0.000 0.900 2360 L HN 0.238 nan 8.230 nan 0.000 0.436 2361 S N -0.946 114.755 115.700 0.002 0.000 2.524 2361 S HA 0.013 4.483 4.470 0.000 0.000 0.216 2361 S C 1.139 175.711 174.600 -0.047 0.000 0.987 2361 S CA 0.163 58.368 58.200 0.009 0.000 0.909 2361 S CB 0.002 63.232 63.200 0.050 0.000 0.781 2361 S HN 0.525 nan 8.310 nan 0.000 0.521 2362 S N -0.015 115.636 115.700 -0.080 0.000 2.608 2362 S HA 0.472 4.943 4.470 0.000 0.000 0.261 2362 S C 0.971 175.387 174.600 -0.306 0.000 1.314 2362 S CA 0.024 58.154 58.200 -0.118 0.000 0.992 2362 S CB 0.914 64.066 63.200 -0.081 0.000 0.935 2362 S HN 0.305 nan 8.310 nan 0.000 0.564 2363 G N 0.074 108.704 108.800 -0.283 0.000 3.609 2363 G HA2 0.420 4.380 3.960 0.000 0.000 0.280 2363 G HA3 0.420 4.380 3.960 0.000 0.000 0.280 2363 G C -0.053 174.722 174.900 -0.209 0.000 1.155 2363 G CA -0.415 44.396 45.100 -0.483 0.000 0.876 2363 G HN 0.658 nan 8.290 nan 0.000 0.535 2364 Q N -1.549 118.151 119.800 -0.167 0.000 2.626 2364 Q HA 0.593 4.933 4.340 0.000 0.000 0.300 2364 Q C 0.125 176.067 176.000 -0.098 0.000 0.988 2364 Q CA -0.535 55.215 55.803 -0.090 0.000 0.761 2364 Q CB 2.263 30.964 28.738 -0.062 0.000 1.494 2364 Q HN 0.532 nan 8.270 nan 0.000 0.439 2365 G N -0.765 107.977 108.800 -0.098 0.000 2.860 2365 G HA2 -0.146 3.814 3.960 0.000 0.000 0.553 2365 G HA3 -0.146 3.814 3.960 0.000 0.000 0.553 2365 G C -0.227 174.550 174.900 -0.204 0.000 1.439 2365 G CA -0.116 44.900 45.100 -0.139 0.000 0.879 2365 G HN 0.423 nan 8.290 nan 0.000 0.545 2366 V N -0.023 119.736 119.914 -0.260 0.000 3.264 2366 V HA 0.562 4.682 4.120 0.000 0.000 0.217 2366 V C 0.894 176.897 176.094 -0.151 0.000 1.236 2366 V CA 1.708 63.814 62.300 -0.323 0.000 1.287 2366 V CB 0.519 31.987 31.823 -0.592 0.000 1.241 2366 V HN 0.944 nan 8.190 nan 0.000 0.518 2367 R N 0.206 120.628 120.500 -0.130 0.000 2.686 2367 R HA 0.680 5.020 4.340 0.000 0.000 0.283 2367 R C -1.155 175.098 176.300 -0.079 0.000 0.978 2367 R CA -0.048 56.003 56.100 -0.081 0.000 0.897 2367 R CB 2.141 32.411 30.300 -0.051 0.000 1.192 2367 R HN 0.360 nan 8.270 nan 0.000 0.457 2368 S N 3.810 119.463 115.700 -0.077 0.000 2.501 2368 S HA 0.711 5.181 4.470 0.000 0.000 0.301 2368 S C -0.478 174.085 174.600 -0.061 0.000 1.096 2368 S CA -0.723 57.436 58.200 -0.069 0.000 1.063 2368 S CB 0.777 63.931 63.200 -0.077 0.000 1.042 2368 S HN 0.554 nan 8.310 nan 0.000 0.494 2369 I N -0.877 119.663 120.570 -0.050 0.000 2.969 2369 I HA 0.669 4.839 4.170 0.000 0.000 0.307 2369 I C -1.337 174.757 176.117 -0.037 0.000 1.149 2369 I CA -1.332 59.939 61.300 -0.048 0.000 1.008 2369 I CB 2.023 39.987 38.000 -0.061 0.000 1.232 2369 I HN 0.471 nan 8.210 nan 0.000 0.435 2370 M N 4.437 124.012 119.600 -0.042 0.000 2.383 2370 M HA 0.535 5.015 4.480 0.000 0.000 0.325 2370 M C -1.107 175.133 176.300 -0.100 0.000 1.092 2370 M CA -0.773 54.530 55.300 0.005 0.000 0.961 2370 M CB 2.370 35.069 32.600 0.165 0.000 1.672 2370 M HN 0.355 nan 8.290 nan 0.000 0.438 2371 I N 3.396 123.967 120.570 0.001 0.000 2.339 2371 I HA 0.355 4.525 4.170 0.000 0.000 0.290 2371 I C -0.297 175.922 176.117 0.170 0.000 0.994 2371 I CA -0.561 60.724 61.300 -0.024 0.000 1.191 2371 I CB 0.115 38.114 38.000 -0.001 0.000 1.343 2371 I HN 0.708 nan 8.210 nan 0.000 0.458 2372 Y N 0.000 120.292 120.300 -0.013 0.000 2.660 2372 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 2372 Y CA 0.000 58.091 58.100 -0.014 0.000 1.940 2372 Y CB 0.000 38.444 38.460 -0.027 0.000 1.050 2372 Y HN 0.000 nan 8.280 nan 0.000 0.758